Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 6:47 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: ./Y2CxNOx2.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 18 5 1815 790 126 Max 32 19 7 1823 804 132 Sum 1111 649 199 65447 28591 4663 bravais-lattice index = 14 lattice parameter (alat) = 6.9999 a.u. unit-cell volume = 655.9959 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 4 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.999923 celldm(2)= 1.000000 celldm(3)= 2.208466 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.208466 ) 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 0.452803 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) C 4.00 12.01070 C( 1.00) Y 11.00 88.90590 Y( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 339 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0102041 0.0058913 -0.0000000), wk = 0.0029499 k( 3) = ( 0.0204082 0.0117827 -0.0000000), wk = 0.0029499 k( 4) = ( 0.0306122 0.0176740 -0.0000000), wk = 0.0029499 k( 5) = ( 0.0408163 0.0235653 -0.0000000), wk = 0.0029499 k( 6) = ( 0.0510204 0.0294566 -0.0000000), wk = 0.0029499 k( 7) = ( 0.0612245 0.0353480 -0.0000000), wk = 0.0029499 k( 8) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0029499 k( 9) = ( 0.0816327 0.0471306 -0.0000000), wk = 0.0029499 k( 10) = ( 0.0918367 0.0530220 -0.0000000), wk = 0.0029499 k( 11) = ( 0.1020408 0.0589133 -0.0000000), wk = 0.0029499 k( 12) = ( 0.1122449 0.0648046 -0.0000000), wk = 0.0029499 k( 13) = ( 0.1224490 0.0706960 -0.0000000), wk = 0.0029499 k( 14) = ( 0.1326531 0.0765873 -0.0000000), wk = 0.0029499 k( 15) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0029499 k( 16) = ( 0.1530612 0.0883699 -0.0000000), wk = 0.0029499 k( 17) = ( 0.1632653 0.0942613 -0.0000000), wk = 0.0029499 k( 18) = ( 0.1734694 0.1001526 -0.0000000), wk = 0.0029499 k( 19) = ( 0.1836735 0.1060439 -0.0000000), wk = 0.0029499 k( 20) = ( 0.1938776 0.1119353 -0.0000000), wk = 0.0029499 k( 21) = ( 0.2040816 0.1178266 -0.0000000), wk = 0.0029499 k( 22) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0029499 k( 23) = ( 0.2244898 0.1296092 -0.0000000), wk = 0.0029499 k( 24) = ( 0.2346939 0.1355006 -0.0000000), wk = 0.0029499 k( 25) = ( 0.2448980 0.1413919 -0.0000000), wk = 0.0029499 k( 26) = ( 0.2551020 0.1472832 -0.0000000), wk = 0.0029499 k( 27) = ( 0.2653061 0.1531746 -0.0000000), wk = 0.0029499 k( 28) = ( 0.2755102 0.1590659 -0.0000000), wk = 0.0029499 k( 29) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0029499 k( 30) = ( 0.2959184 0.1708486 -0.0000000), wk = 0.0029499 k( 31) = ( 0.3061224 0.1767399 -0.0000000), wk = 0.0029499 k( 32) = ( 0.3163265 0.1826312 -0.0000000), wk = 0.0029499 k( 33) = ( 0.3265306 0.1885225 -0.0000000), wk = 0.0029499 k( 34) = ( 0.3367347 0.1944139 -0.0000000), wk = 0.0029499 k( 35) = ( 0.3469388 0.2003052 -0.0000000), wk = 0.0029499 k( 36) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0029499 k( 37) = ( 0.3673469 0.2120879 -0.0000000), wk = 0.0029499 k( 38) = ( 0.3775510 0.2179792 -0.0000000), wk = 0.0029499 k( 39) = ( 0.3877551 0.2238705 -0.0000000), wk = 0.0029499 k( 40) = ( 0.3979592 0.2297618 -0.0000000), wk = 0.0029499 k( 41) = ( 0.4081633 0.2356532 -0.0000000), wk = 0.0029499 k( 42) = ( 0.4183674 0.2415445 -0.0000000), wk = 0.0029499 k( 43) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0029499 k( 44) = ( 0.4387755 0.2533272 -0.0000000), wk = 0.0029499 k( 45) = ( 0.4489796 0.2592185 -0.0000000), wk = 0.0029499 k( 46) = ( 0.4591837 0.2651098 -0.0000000), wk = 0.0029499 k( 47) = ( 0.4693878 0.2710011 -0.0000000), wk = 0.0029499 k( 48) = ( 0.4795918 0.2768925 -0.0000000), wk = 0.0029499 k( 49) = ( 0.4897959 0.2827838 -0.0000000), wk = 0.0029499 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029499 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029499 k( 52) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0029499 k( 53) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0029499 k( 54) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0029499 k( 55) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0029499 k( 56) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0029499 k( 57) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0029499 k( 58) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0029499 k( 59) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0029499 k( 60) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0029499 k( 61) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0029499 k( 62) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0029499 k( 63) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0029499 k( 64) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0029499 k( 65) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0029499 k( 66) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0029499 k( 67) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0029499 k( 68) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0029499 k( 69) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0029499 k( 70) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0029499 k( 71) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0029499 k( 72) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0029499 k( 73) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0029499 k( 74) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0029499 k( 75) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0029499 k( 76) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0029499 k( 77) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0029499 k( 78) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0029499 k( 79) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0029499 k( 80) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029499 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029499 k( 82) = ( 0.3274854 0.5672213 -0.0000000), wk = 0.0029499 k( 83) = ( 0.3216374 0.5570924 -0.0000000), wk = 0.0029499 k( 84) = ( 0.3157895 0.5469634 -0.0000000), wk = 0.0029499 k( 85) = ( 0.3099415 0.5368345 -0.0000000), wk = 0.0029499 k( 86) = ( 0.3040936 0.5267055 -0.0000000), wk = 0.0029499 k( 87) = ( 0.2982456 0.5165765 -0.0000000), wk = 0.0029499 k( 88) = ( 0.2923977 0.5064476 -0.0000000), wk = 0.0029499 k( 89) = ( 0.2865497 0.4963187 -0.0000000), wk = 0.0029499 k( 90) = ( 0.2807018 0.4861897 -0.0000000), wk = 0.0029499 k( 91) = ( 0.2748538 0.4760607 -0.0000000), wk = 0.0029499 k( 92) = ( 0.2690058 0.4659318 -0.0000000), wk = 0.0029499 k( 93) = ( 0.2631579 0.4558028 -0.0000000), wk = 0.0029499 k( 94) = ( 0.2573099 0.4456739 -0.0000000), wk = 0.0029499 k( 95) = ( 0.2514620 0.4355449 -0.0000000), wk = 0.0029499 k( 96) = ( 0.2456140 0.4254160 -0.0000000), wk = 0.0029499 k( 97) = ( 0.2397661 0.4152870 -0.0000000), wk = 0.0029499 k( 98) = ( 0.2339181 0.4051581 -0.0000000), wk = 0.0029499 k( 99) = ( 0.2280702 0.3950291 -0.0000000), wk = 0.0029499 k( 100) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029499 k( 101) = ( 0.2163743 0.3747712 -0.0000000), wk = 0.0029499 k( 102) = ( 0.2105263 0.3646423 -0.0000000), wk = 0.0029499 k( 103) = ( 0.2046784 0.3545133 -0.0000000), wk = 0.0029499 k( 104) = ( 0.1988304 0.3443844 -0.0000000), wk = 0.0029499 k( 105) = ( 0.1929825 0.3342554 -0.0000000), wk = 0.0029499 k( 106) = ( 0.1871345 0.3241265 -0.0000000), wk = 0.0029499 k( 107) = ( 0.1812865 0.3139975 -0.0000000), wk = 0.0029499 k( 108) = ( 0.1754386 0.3038686 -0.0000000), wk = 0.0029499 k( 109) = ( 0.1695906 0.2937396 -0.0000000), wk = 0.0029499 k( 110) = ( 0.1637427 0.2836107 -0.0000000), wk = 0.0029499 k( 111) = ( 0.1578947 0.2734817 -0.0000000), wk = 0.0029499 k( 112) = ( 0.1520468 0.2633527 -0.0000000), wk = 0.0029499 k( 113) = ( 0.1461988 0.2532238 -0.0000000), wk = 0.0029499 k( 114) = ( 0.1403509 0.2430949 -0.0000000), wk = 0.0029499 k( 115) = ( 0.1345029 0.2329659 -0.0000000), wk = 0.0029499 k( 116) = ( 0.1286550 0.2228369 -0.0000000), wk = 0.0029499 k( 117) = ( 0.1228070 0.2127080 -0.0000000), wk = 0.0029499 k( 118) = ( 0.1169591 0.2025790 -0.0000000), wk = 0.0029499 k( 119) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029499 k( 120) = ( 0.1052632 0.1823211 -0.0000000), wk = 0.0029499 k( 121) = ( 0.0994152 0.1721922 -0.0000000), wk = 0.0029499 k( 122) = ( 0.0935673 0.1620632 -0.0000000), wk = 0.0029499 k( 123) = ( 0.0877193 0.1519343 -0.0000000), wk = 0.0029499 k( 124) = ( 0.0818713 0.1418053 -0.0000000), wk = 0.0029499 k( 125) = ( 0.0760234 0.1316764 -0.0000000), wk = 0.0029499 k( 126) = ( 0.0701754 0.1215474 -0.0000000), wk = 0.0029499 k( 127) = ( 0.0643275 0.1114185 -0.0000000), wk = 0.0029499 k( 128) = ( 0.0584795 0.1012895 -0.0000000), wk = 0.0029499 k( 129) = ( 0.0526316 0.0911606 -0.0000000), wk = 0.0029499 k( 130) = ( 0.0467836 0.0810316 -0.0000000), wk = 0.0029499 k( 131) = ( 0.0409357 0.0709027 -0.0000000), wk = 0.0029499 k( 132) = ( 0.0350877 0.0607737 -0.0000000), wk = 0.0029499 k( 133) = ( 0.0292398 0.0506448 -0.0000000), wk = 0.0029499 k( 134) = ( 0.0233918 0.0405158 -0.0000000), wk = 0.0029499 k( 135) = ( 0.0175439 0.0303869 -0.0000000), wk = 0.0029499 k( 136) = ( 0.0116959 0.0202579 -0.0000000), wk = 0.0029499 k( 137) = ( 0.0058480 0.0101289 -0.0000000), wk = 0.0029499 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 140) = ( 0.0000000 0.0000000 0.0113201), wk = 0.0029499 k( 141) = ( 0.0000000 0.0000000 0.0226401), wk = 0.0029499 k( 142) = ( 0.0000000 0.0000000 0.0339602), wk = 0.0029499 k( 143) = ( 0.0000000 0.0000000 0.0452803), wk = 0.0029499 k( 144) = ( 0.0000000 0.0000000 0.0566004), wk = 0.0029499 k( 145) = ( 0.0000000 0.0000000 0.0679204), wk = 0.0029499 k( 146) = ( 0.0000000 0.0000000 0.0792405), wk = 0.0029499 k( 147) = ( 0.0000000 0.0000000 0.0905606), wk = 0.0029499 k( 148) = ( 0.0000000 0.0000000 0.1018807), wk = 0.0029499 k( 149) = ( 0.0000000 0.0000000 0.1132007), wk = 0.0029499 k( 150) = ( 0.0000000 0.0000000 0.1245208), wk = 0.0029499 k( 151) = ( 0.0000000 0.0000000 0.1358409), wk = 0.0029499 k( 152) = ( 0.0000000 0.0000000 0.1471610), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.1584810), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.1698011), wk = 0.0029499 k( 155) = ( 0.0000000 0.0000000 0.1811212), wk = 0.0029499 k( 156) = ( 0.0000000 0.0000000 0.1924413), wk = 0.0029499 k( 157) = ( 0.0000000 0.0000000 0.2037613), wk = 0.0029499 k( 158) = ( 0.0000000 0.0000000 0.2150814), wk = 0.0029499 k( 159) = ( 0.0000000 0.0000000 0.2264015), wk = 0.0029499 k( 160) = ( 0.0000000 0.0000000 0.2264015), wk = 0.0029499 k( 161) = ( 0.0102041 0.0058913 0.2264015), wk = 0.0029499 k( 162) = ( 0.0204082 0.0117827 0.2264015), wk = 0.0029499 k( 163) = ( 0.0306122 0.0176740 0.2264015), wk = 0.0029499 k( 164) = ( 0.0408163 0.0235653 0.2264015), wk = 0.0029499 k( 165) = ( 0.0510204 0.0294566 0.2264015), wk = 0.0029499 k( 166) = ( 0.0612245 0.0353480 0.2264015), wk = 0.0029499 k( 167) = ( 0.0714286 0.0412393 0.2264015), wk = 0.0029499 k( 168) = ( 0.0816327 0.0471306 0.2264015), wk = 0.0029499 k( 169) = ( 0.0918367 0.0530220 0.2264015), wk = 0.0029499 k( 170) = ( 0.1020408 0.0589133 0.2264015), wk = 0.0029499 k( 171) = ( 0.1122449 0.0648046 0.2264015), wk = 0.0029499 k( 172) = ( 0.1224490 0.0706960 0.2264015), wk = 0.0029499 k( 173) = ( 0.1326531 0.0765873 0.2264015), wk = 0.0029499 k( 174) = ( 0.1428571 0.0824786 0.2264015), wk = 0.0029499 k( 175) = ( 0.1530612 0.0883699 0.2264015), wk = 0.0029499 k( 176) = ( 0.1632653 0.0942613 0.2264015), wk = 0.0029499 k( 177) = ( 0.1734694 0.1001526 0.2264015), wk = 0.0029499 k( 178) = ( 0.1836735 0.1060439 0.2264015), wk = 0.0029499 k( 179) = ( 0.1938776 0.1119353 0.2264015), wk = 0.0029499 k( 180) = ( 0.2040816 0.1178266 0.2264015), wk = 0.0029499 k( 181) = ( 0.2142857 0.1237179 0.2264015), wk = 0.0029499 k( 182) = ( 0.2244898 0.1296092 0.2264015), wk = 0.0029499 k( 183) = ( 0.2346939 0.1355006 0.2264015), wk = 0.0029499 k( 184) = ( 0.2448980 0.1413919 0.2264015), wk = 0.0029499 k( 185) = ( 0.2551020 0.1472832 0.2264015), wk = 0.0029499 k( 186) = ( 0.2653061 0.1531746 0.2264015), wk = 0.0029499 k( 187) = ( 0.2755102 0.1590659 0.2264015), wk = 0.0029499 k( 188) = ( 0.2857143 0.1649572 0.2264015), wk = 0.0029499 k( 189) = ( 0.2959184 0.1708486 0.2264015), wk = 0.0029499 k( 190) = ( 0.3061224 0.1767399 0.2264015), wk = 0.0029499 k( 191) = ( 0.3163265 0.1826312 0.2264015), wk = 0.0029499 k( 192) = ( 0.3265306 0.1885225 0.2264015), wk = 0.0029499 k( 193) = ( 0.3367347 0.1944139 0.2264015), wk = 0.0029499 k( 194) = ( 0.3469388 0.2003052 0.2264015), wk = 0.0029499 k( 195) = ( 0.3571429 0.2061965 0.2264015), wk = 0.0029499 k( 196) = ( 0.3673469 0.2120879 0.2264015), wk = 0.0029499 k( 197) = ( 0.3775510 0.2179792 0.2264015), wk = 0.0029499 k( 198) = ( 0.3877551 0.2238705 0.2264015), wk = 0.0029499 k( 199) = ( 0.3979592 0.2297618 0.2264015), wk = 0.0029499 k( 200) = ( 0.4081633 0.2356532 0.2264015), wk = 0.0029499 k( 201) = ( 0.4183674 0.2415445 0.2264015), wk = 0.0029499 k( 202) = ( 0.4285714 0.2474358 0.2264015), wk = 0.0029499 k( 203) = ( 0.4387755 0.2533272 0.2264015), wk = 0.0029499 k( 204) = ( 0.4489796 0.2592185 0.2264015), wk = 0.0029499 k( 205) = ( 0.4591837 0.2651098 0.2264015), wk = 0.0029499 k( 206) = ( 0.4693878 0.2710011 0.2264015), wk = 0.0029499 k( 207) = ( 0.4795918 0.2768925 0.2264015), wk = 0.0029499 k( 208) = ( 0.4897959 0.2827838 0.2264015), wk = 0.0029499 k( 209) = ( 0.5000000 0.2886751 0.2264015), wk = 0.0029499 k( 210) = ( 0.5000000 0.2886751 0.2264015), wk = 0.0029499 k( 211) = ( 0.4942529 0.2986294 0.2264015), wk = 0.0029499 k( 212) = ( 0.4885058 0.3085838 0.2264015), wk = 0.0029499 k( 213) = ( 0.4827586 0.3185381 0.2264015), wk = 0.0029499 k( 214) = ( 0.4770115 0.3284924 0.2264015), wk = 0.0029499 k( 215) = ( 0.4712644 0.3384467 0.2264015), wk = 0.0029499 k( 216) = ( 0.4655172 0.3484010 0.2264015), wk = 0.0029499 k( 217) = ( 0.4597701 0.3583553 0.2264015), wk = 0.0029499 k( 218) = ( 0.4540230 0.3683097 0.2264015), wk = 0.0029499 k( 219) = ( 0.4482759 0.3782640 0.2264015), wk = 0.0029499 k( 220) = ( 0.4425287 0.3882183 0.2264015), wk = 0.0029499 k( 221) = ( 0.4367816 0.3981726 0.2264015), wk = 0.0029499 k( 222) = ( 0.4310345 0.4081269 0.2264015), wk = 0.0029499 k( 223) = ( 0.4252874 0.4180812 0.2264015), wk = 0.0029499 k( 224) = ( 0.4195402 0.4280355 0.2264015), wk = 0.0029499 k( 225) = ( 0.4137931 0.4379899 0.2264015), wk = 0.0029499 k( 226) = ( 0.4080460 0.4479442 0.2264015), wk = 0.0029499 k( 227) = ( 0.4022988 0.4578985 0.2264015), wk = 0.0029499 k( 228) = ( 0.3965517 0.4678528 0.2264015), wk = 0.0029499 k( 229) = ( 0.3908046 0.4778071 0.2264015), wk = 0.0029499 k( 230) = ( 0.3850575 0.4877614 0.2264015), wk = 0.0029499 k( 231) = ( 0.3793103 0.4977157 0.2264015), wk = 0.0029499 k( 232) = ( 0.3735632 0.5076701 0.2264015), wk = 0.0029499 k( 233) = ( 0.3678161 0.5176244 0.2264015), wk = 0.0029499 k( 234) = ( 0.3620690 0.5275787 0.2264015), wk = 0.0029499 k( 235) = ( 0.3563218 0.5375330 0.2264015), wk = 0.0029499 k( 236) = ( 0.3505747 0.5474873 0.2264015), wk = 0.0029499 k( 237) = ( 0.3448276 0.5574416 0.2264015), wk = 0.0029499 k( 238) = ( 0.3390805 0.5673960 0.2264015), wk = 0.0029499 k( 239) = ( 0.3333333 0.5773503 0.2264015), wk = 0.0029499 k( 240) = ( 0.3333333 0.5773503 0.2264015), wk = 0.0029499 k( 241) = ( 0.3274854 0.5672213 0.2264015), wk = 0.0029499 k( 242) = ( 0.3216374 0.5570924 0.2264015), wk = 0.0029499 k( 243) = ( 0.3157895 0.5469634 0.2264015), wk = 0.0029499 k( 244) = ( 0.3099415 0.5368345 0.2264015), wk = 0.0029499 k( 245) = ( 0.3040936 0.5267055 0.2264015), wk = 0.0029499 k( 246) = ( 0.2982456 0.5165765 0.2264015), wk = 0.0029499 k( 247) = ( 0.2923977 0.5064476 0.2264015), wk = 0.0029499 k( 248) = ( 0.2865497 0.4963187 0.2264015), wk = 0.0029499 k( 249) = ( 0.2807018 0.4861897 0.2264015), wk = 0.0029499 k( 250) = ( 0.2748538 0.4760607 0.2264015), wk = 0.0029499 k( 251) = ( 0.2690058 0.4659318 0.2264015), wk = 0.0029499 k( 252) = ( 0.2631579 0.4558028 0.2264015), wk = 0.0029499 k( 253) = ( 0.2573099 0.4456739 0.2264015), wk = 0.0029499 k( 254) = ( 0.2514620 0.4355449 0.2264015), wk = 0.0029499 k( 255) = ( 0.2456140 0.4254160 0.2264015), wk = 0.0029499 k( 256) = ( 0.2397661 0.4152870 0.2264015), wk = 0.0029499 k( 257) = ( 0.2339181 0.4051581 0.2264015), wk = 0.0029499 k( 258) = ( 0.2280702 0.3950291 0.2264015), wk = 0.0029499 k( 259) = ( 0.2222222 0.3849002 0.2264015), wk = 0.0029499 k( 260) = ( 0.2163743 0.3747712 0.2264015), wk = 0.0029499 k( 261) = ( 0.2105263 0.3646423 0.2264015), wk = 0.0029499 k( 262) = ( 0.2046784 0.3545133 0.2264015), wk = 0.0029499 k( 263) = ( 0.1988304 0.3443844 0.2264015), wk = 0.0029499 k( 264) = ( 0.1929825 0.3342554 0.2264015), wk = 0.0029499 k( 265) = ( 0.1871345 0.3241265 0.2264015), wk = 0.0029499 k( 266) = ( 0.1812865 0.3139975 0.2264015), wk = 0.0029499 k( 267) = ( 0.1754386 0.3038686 0.2264015), wk = 0.0029499 k( 268) = ( 0.1695906 0.2937396 0.2264015), wk = 0.0029499 k( 269) = ( 0.1637427 0.2836107 0.2264015), wk = 0.0029499 k( 270) = ( 0.1578947 0.2734817 0.2264015), wk = 0.0029499 k( 271) = ( 0.1520468 0.2633527 0.2264015), wk = 0.0029499 k( 272) = ( 0.1461988 0.2532238 0.2264015), wk = 0.0029499 k( 273) = ( 0.1403509 0.2430949 0.2264015), wk = 0.0029499 k( 274) = ( 0.1345029 0.2329659 0.2264015), wk = 0.0029499 k( 275) = ( 0.1286550 0.2228369 0.2264015), wk = 0.0029499 k( 276) = ( 0.1228070 0.2127080 0.2264015), wk = 0.0029499 k( 277) = ( 0.1169591 0.2025790 0.2264015), wk = 0.0029499 k( 278) = ( 0.1111111 0.1924501 0.2264015), wk = 0.0029499 k( 279) = ( 0.1052632 0.1823211 0.2264015), wk = 0.0029499 k( 280) = ( 0.0994152 0.1721922 0.2264015), wk = 0.0029499 k( 281) = ( 0.0935673 0.1620632 0.2264015), wk = 0.0029499 k( 282) = ( 0.0877193 0.1519343 0.2264015), wk = 0.0029499 k( 283) = ( 0.0818713 0.1418053 0.2264015), wk = 0.0029499 k( 284) = ( 0.0760234 0.1316764 0.2264015), wk = 0.0029499 k( 285) = ( 0.0701754 0.1215474 0.2264015), wk = 0.0029499 k( 286) = ( 0.0643275 0.1114185 0.2264015), wk = 0.0029499 k( 287) = ( 0.0584795 0.1012895 0.2264015), wk = 0.0029499 k( 288) = ( 0.0526316 0.0911606 0.2264015), wk = 0.0029499 k( 289) = ( 0.0467836 0.0810316 0.2264015), wk = 0.0029499 k( 290) = ( 0.0409357 0.0709027 0.2264015), wk = 0.0029499 k( 291) = ( 0.0350877 0.0607737 0.2264015), wk = 0.0029499 k( 292) = ( 0.0292398 0.0506448 0.2264015), wk = 0.0029499 k( 293) = ( 0.0233918 0.0405158 0.2264015), wk = 0.0029499 k( 294) = ( 0.0175439 0.0303869 0.2264015), wk = 0.0029499 k( 295) = ( 0.0116959 0.0202579 0.2264015), wk = 0.0029499 k( 296) = ( 0.0058480 0.0101289 0.2264015), wk = 0.0029499 k( 297) = ( 0.0000000 0.0000000 0.2264015), wk = 0.0029499 k( 298) = ( 0.5000000 0.2886751 0.2264015), wk = 0.0029499 k( 299) = ( 0.5000000 0.2886751 0.2150814), wk = 0.0029499 k( 300) = ( 0.5000000 0.2886751 0.2037613), wk = 0.0029499 k( 301) = ( 0.5000000 0.2886751 0.1924413), wk = 0.0029499 k( 302) = ( 0.5000000 0.2886751 0.1811212), wk = 0.0029499 k( 303) = ( 0.5000000 0.2886751 0.1698011), wk = 0.0029499 k( 304) = ( 0.5000000 0.2886751 0.1584810), wk = 0.0029499 k( 305) = ( 0.5000000 0.2886751 0.1471610), wk = 0.0029499 k( 306) = ( 0.5000000 0.2886751 0.1358409), wk = 0.0029499 k( 307) = ( 0.5000000 0.2886751 0.1245208), wk = 0.0029499 k( 308) = ( 0.5000000 0.2886751 0.1132007), wk = 0.0029499 k( 309) = ( 0.5000000 0.2886751 0.1018807), wk = 0.0029499 k( 310) = ( 0.5000000 0.2886751 0.0905606), wk = 0.0029499 k( 311) = ( 0.5000000 0.2886751 0.0792405), wk = 0.0029499 k( 312) = ( 0.5000000 0.2886751 0.0679204), wk = 0.0029499 k( 313) = ( 0.5000000 0.2886751 0.0566004), wk = 0.0029499 k( 314) = ( 0.5000000 0.2886751 0.0452803), wk = 0.0029499 k( 315) = ( 0.5000000 0.2886751 0.0339602), wk = 0.0029499 k( 316) = ( 0.5000000 0.2886751 0.0226401), wk = 0.0029499 k( 317) = ( 0.5000000 0.2886751 0.0113201), wk = 0.0029499 k( 318) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029499 k( 319) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029499 k( 320) = ( 0.3333333 0.5773503 0.0113201), wk = 0.0029499 k( 321) = ( 0.3333333 0.5773503 0.0226401), wk = 0.0029499 k( 322) = ( 0.3333333 0.5773503 0.0339602), wk = 0.0029499 k( 323) = ( 0.3333333 0.5773503 0.0452803), wk = 0.0029499 k( 324) = ( 0.3333333 0.5773503 0.0566004), wk = 0.0029499 k( 325) = ( 0.3333333 0.5773503 0.0679204), wk = 0.0029499 k( 326) = ( 0.3333333 0.5773503 0.0792405), wk = 0.0029499 k( 327) = ( 0.3333333 0.5773503 0.0905606), wk = 0.0029499 k( 328) = ( 0.3333333 0.5773503 0.1018807), wk = 0.0029499 k( 329) = ( 0.3333333 0.5773503 0.1132007), wk = 0.0029499 k( 330) = ( 0.3333333 0.5773503 0.1245208), wk = 0.0029499 k( 331) = ( 0.3333333 0.5773503 0.1358409), wk = 0.0029499 k( 332) = ( 0.3333333 0.5773503 0.1471610), wk = 0.0029499 k( 333) = ( 0.3333333 0.5773503 0.1584810), wk = 0.0029499 k( 334) = ( 0.3333333 0.5773503 0.1698011), wk = 0.0029499 k( 335) = ( 0.3333333 0.5773503 0.1811212), wk = 0.0029499 k( 336) = ( 0.3333333 0.5773503 0.1924413), wk = 0.0029499 k( 337) = ( 0.3333333 0.5773503 0.2037613), wk = 0.0029499 k( 338) = ( 0.3333333 0.5773503 0.2150814), wk = 0.0029499 k( 339) = ( 0.3333333 0.5773503 0.2264015), wk = 0.0029499 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0102041 -0.0000000 -0.0000000), wk = 0.0029499 k( 3) = ( 0.0204082 -0.0000000 -0.0000000), wk = 0.0029499 k( 4) = ( 0.0306122 -0.0000000 -0.0000000), wk = 0.0029499 k( 5) = ( 0.0408163 -0.0000000 -0.0000000), wk = 0.0029499 k( 6) = ( 0.0510204 -0.0000000 -0.0000000), wk = 0.0029499 k( 7) = ( 0.0612245 -0.0000000 -0.0000000), wk = 0.0029499 k( 8) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0029499 k( 9) = ( 0.0816327 -0.0000000 -0.0000000), wk = 0.0029499 k( 10) = ( 0.0918367 -0.0000000 -0.0000000), wk = 0.0029499 k( 11) = ( 0.1020408 -0.0000000 -0.0000000), wk = 0.0029499 k( 12) = ( 0.1122449 -0.0000000 -0.0000000), wk = 0.0029499 k( 13) = ( 0.1224490 -0.0000000 -0.0000000), wk = 0.0029499 k( 14) = ( 0.1326531 -0.0000000 -0.0000000), wk = 0.0029499 k( 15) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0029499 k( 16) = ( 0.1530612 -0.0000000 -0.0000000), wk = 0.0029499 k( 17) = ( 0.1632653 -0.0000000 -0.0000000), wk = 0.0029499 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0029499 k( 19) = ( 0.1836735 -0.0000000 -0.0000000), wk = 0.0029499 k( 20) = ( 0.1938776 -0.0000000 -0.0000000), wk = 0.0029499 k( 21) = ( 0.2040816 -0.0000000 -0.0000000), wk = 0.0029499 k( 22) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0029499 k( 23) = ( 0.2244898 -0.0000000 -0.0000000), wk = 0.0029499 k( 24) = ( 0.2346939 -0.0000000 -0.0000000), wk = 0.0029499 k( 25) = ( 0.2448980 -0.0000000 -0.0000000), wk = 0.0029499 k( 26) = ( 0.2551020 -0.0000000 -0.0000000), wk = 0.0029499 k( 27) = ( 0.2653061 -0.0000000 -0.0000000), wk = 0.0029499 k( 28) = ( 0.2755102 -0.0000000 -0.0000000), wk = 0.0029499 k( 29) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0029499 k( 30) = ( 0.2959184 -0.0000000 -0.0000000), wk = 0.0029499 k( 31) = ( 0.3061224 -0.0000000 -0.0000000), wk = 0.0029499 k( 32) = ( 0.3163265 -0.0000000 -0.0000000), wk = 0.0029499 k( 33) = ( 0.3265306 -0.0000000 -0.0000000), wk = 0.0029499 k( 34) = ( 0.3367347 -0.0000000 -0.0000000), wk = 0.0029499 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0029499 k( 36) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0029499 k( 37) = ( 0.3673469 -0.0000000 -0.0000000), wk = 0.0029499 k( 38) = ( 0.3775510 -0.0000000 -0.0000000), wk = 0.0029499 k( 39) = ( 0.3877551 -0.0000000 -0.0000000), wk = 0.0029499 k( 40) = ( 0.3979592 -0.0000000 -0.0000000), wk = 0.0029499 k( 41) = ( 0.4081633 -0.0000000 -0.0000000), wk = 0.0029499 k( 42) = ( 0.4183674 -0.0000000 -0.0000000), wk = 0.0029499 k( 43) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0029499 k( 44) = ( 0.4387755 -0.0000000 -0.0000000), wk = 0.0029499 k( 45) = ( 0.4489796 -0.0000000 -0.0000000), wk = 0.0029499 k( 46) = ( 0.4591837 -0.0000000 -0.0000000), wk = 0.0029499 k( 47) = ( 0.4693878 -0.0000000 -0.0000000), wk = 0.0029499 k( 48) = ( 0.4795918 -0.0000000 -0.0000000), wk = 0.0029499 k( 49) = ( 0.4897959 -0.0000000 -0.0000000), wk = 0.0029499 k( 50) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029499 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029499 k( 52) = ( 0.4942529 0.0114942 -0.0000000), wk = 0.0029499 k( 53) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0029499 k( 54) = ( 0.4827586 0.0344828 -0.0000000), wk = 0.0029499 k( 55) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0029499 k( 56) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0029499 k( 57) = ( 0.4655172 0.0689655 -0.0000000), wk = 0.0029499 k( 58) = ( 0.4597701 0.0804598 -0.0000000), wk = 0.0029499 k( 59) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0029499 k( 60) = ( 0.4482759 0.1034483 -0.0000000), wk = 0.0029499 k( 61) = ( 0.4425287 0.1149425 -0.0000000), wk = 0.0029499 k( 62) = ( 0.4367816 0.1264368 -0.0000000), wk = 0.0029499 k( 63) = ( 0.4310345 0.1379310 -0.0000000), wk = 0.0029499 k( 64) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0029499 k( 65) = ( 0.4195402 0.1609195 -0.0000000), wk = 0.0029499 k( 66) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0029499 k( 67) = ( 0.4080460 0.1839080 -0.0000000), wk = 0.0029499 k( 68) = ( 0.4022988 0.1954023 -0.0000000), wk = 0.0029499 k( 69) = ( 0.3965517 0.2068965 -0.0000000), wk = 0.0029499 k( 70) = ( 0.3908046 0.2183908 0.0000000), wk = 0.0029499 k( 71) = ( 0.3850575 0.2298851 -0.0000000), wk = 0.0029499 k( 72) = ( 0.3793103 0.2413793 -0.0000000), wk = 0.0029499 k( 73) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0029499 k( 74) = ( 0.3678161 0.2643678 -0.0000000), wk = 0.0029499 k( 75) = ( 0.3620690 0.2758621 -0.0000000), wk = 0.0029499 k( 76) = ( 0.3563218 0.2873563 -0.0000000), wk = 0.0029499 k( 77) = ( 0.3505747 0.2988506 0.0000000), wk = 0.0029499 k( 78) = ( 0.3448276 0.3103448 -0.0000000), wk = 0.0029499 k( 79) = ( 0.3390805 0.3218391 -0.0000000), wk = 0.0029499 k( 80) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029499 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029499 k( 82) = ( 0.3274854 0.3274854 -0.0000000), wk = 0.0029499 k( 83) = ( 0.3216374 0.3216374 -0.0000000), wk = 0.0029499 k( 84) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0029499 k( 85) = ( 0.3099415 0.3099415 -0.0000000), wk = 0.0029499 k( 86) = ( 0.3040936 0.3040936 -0.0000000), wk = 0.0029499 k( 87) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0029499 k( 88) = ( 0.2923977 0.2923977 -0.0000000), wk = 0.0029499 k( 89) = ( 0.2865497 0.2865497 -0.0000000), wk = 0.0029499 k( 90) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0029499 k( 91) = ( 0.2748538 0.2748538 -0.0000000), wk = 0.0029499 k( 92) = ( 0.2690058 0.2690058 -0.0000000), wk = 0.0029499 k( 93) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0029499 k( 94) = ( 0.2573099 0.2573099 -0.0000000), wk = 0.0029499 k( 95) = ( 0.2514620 0.2514620 -0.0000000), wk = 0.0029499 k( 96) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0029499 k( 97) = ( 0.2397661 0.2397661 -0.0000000), wk = 0.0029499 k( 98) = ( 0.2339181 0.2339181 -0.0000000), wk = 0.0029499 k( 99) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0029499 k( 100) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0029499 k( 101) = ( 0.2163743 0.2163743 -0.0000000), wk = 0.0029499 k( 102) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0029499 k( 103) = ( 0.2046784 0.2046784 -0.0000000), wk = 0.0029499 k( 104) = ( 0.1988304 0.1988304 -0.0000000), wk = 0.0029499 k( 105) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0029499 k( 106) = ( 0.1871345 0.1871345 -0.0000000), wk = 0.0029499 k( 107) = ( 0.1812865 0.1812865 -0.0000000), wk = 0.0029499 k( 108) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0029499 k( 109) = ( 0.1695906 0.1695906 -0.0000000), wk = 0.0029499 k( 110) = ( 0.1637427 0.1637427 -0.0000000), wk = 0.0029499 k( 111) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0029499 k( 112) = ( 0.1520468 0.1520468 -0.0000000), wk = 0.0029499 k( 113) = ( 0.1461988 0.1461988 -0.0000000), wk = 0.0029499 k( 114) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0029499 k( 115) = ( 0.1345029 0.1345029 -0.0000000), wk = 0.0029499 k( 116) = ( 0.1286550 0.1286550 -0.0000000), wk = 0.0029499 k( 117) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0029499 k( 118) = ( 0.1169591 0.1169591 -0.0000000), wk = 0.0029499 k( 119) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0029499 k( 120) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0029499 k( 121) = ( 0.0994152 0.0994152 -0.0000000), wk = 0.0029499 k( 122) = ( 0.0935673 0.0935673 -0.0000000), wk = 0.0029499 k( 123) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0029499 k( 124) = ( 0.0818713 0.0818713 -0.0000000), wk = 0.0029499 k( 125) = ( 0.0760234 0.0760234 -0.0000000), wk = 0.0029499 k( 126) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0029499 k( 127) = ( 0.0643275 0.0643275 -0.0000000), wk = 0.0029499 k( 128) = ( 0.0584795 0.0584795 -0.0000000), wk = 0.0029499 k( 129) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0029499 k( 130) = ( 0.0467836 0.0467836 -0.0000000), wk = 0.0029499 k( 131) = ( 0.0409357 0.0409357 -0.0000000), wk = 0.0029499 k( 132) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0029499 k( 133) = ( 0.0292398 0.0292398 -0.0000000), wk = 0.0029499 k( 134) = ( 0.0233918 0.0233918 -0.0000000), wk = 0.0029499 k( 135) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0029499 k( 136) = ( 0.0116959 0.0116959 -0.0000000), wk = 0.0029499 k( 137) = ( 0.0058480 0.0058479 -0.0000000), wk = 0.0029499 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 140) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0029499 k( 141) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0029499 k( 142) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0029499 k( 143) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029499 k( 144) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029499 k( 145) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0029499 k( 146) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0029499 k( 147) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029499 k( 148) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0029499 k( 149) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029499 k( 150) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0029499 k( 151) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029499 k( 152) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029499 k( 155) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029499 k( 156) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0029499 k( 157) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0029499 k( 158) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0029499 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029499 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029499 k( 161) = ( 0.0102041 -0.0000000 0.5000000), wk = 0.0029499 k( 162) = ( 0.0204082 -0.0000000 0.5000000), wk = 0.0029499 k( 163) = ( 0.0306122 -0.0000000 0.5000000), wk = 0.0029499 k( 164) = ( 0.0408163 -0.0000000 0.5000000), wk = 0.0029499 k( 165) = ( 0.0510204 -0.0000000 0.5000000), wk = 0.0029499 k( 166) = ( 0.0612245 -0.0000000 0.5000000), wk = 0.0029499 k( 167) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0029499 k( 168) = ( 0.0816327 -0.0000000 0.5000000), wk = 0.0029499 k( 169) = ( 0.0918367 -0.0000000 0.5000000), wk = 0.0029499 k( 170) = ( 0.1020408 -0.0000000 0.5000000), wk = 0.0029499 k( 171) = ( 0.1122449 -0.0000000 0.5000000), wk = 0.0029499 k( 172) = ( 0.1224490 -0.0000000 0.5000000), wk = 0.0029499 k( 173) = ( 0.1326531 -0.0000000 0.5000000), wk = 0.0029499 k( 174) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0029499 k( 175) = ( 0.1530612 -0.0000000 0.5000000), wk = 0.0029499 k( 176) = ( 0.1632653 -0.0000000 0.5000000), wk = 0.0029499 k( 177) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0029499 k( 178) = ( 0.1836735 -0.0000000 0.5000000), wk = 0.0029499 k( 179) = ( 0.1938776 -0.0000000 0.5000000), wk = 0.0029499 k( 180) = ( 0.2040816 -0.0000000 0.5000000), wk = 0.0029499 k( 181) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0029499 k( 182) = ( 0.2244898 -0.0000000 0.5000000), wk = 0.0029499 k( 183) = ( 0.2346939 -0.0000000 0.5000000), wk = 0.0029499 k( 184) = ( 0.2448980 -0.0000000 0.5000000), wk = 0.0029499 k( 185) = ( 0.2551020 -0.0000000 0.5000000), wk = 0.0029499 k( 186) = ( 0.2653061 -0.0000000 0.5000000), wk = 0.0029499 k( 187) = ( 0.2755102 -0.0000000 0.5000000), wk = 0.0029499 k( 188) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0029499 k( 189) = ( 0.2959184 -0.0000000 0.5000000), wk = 0.0029499 k( 190) = ( 0.3061224 -0.0000000 0.5000000), wk = 0.0029499 k( 191) = ( 0.3163265 -0.0000000 0.5000000), wk = 0.0029499 k( 192) = ( 0.3265306 -0.0000000 0.5000000), wk = 0.0029499 k( 193) = ( 0.3367347 -0.0000000 0.5000000), wk = 0.0029499 k( 194) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0029499 k( 195) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0029499 k( 196) = ( 0.3673469 -0.0000000 0.5000000), wk = 0.0029499 k( 197) = ( 0.3775510 -0.0000000 0.5000000), wk = 0.0029499 k( 198) = ( 0.3877551 -0.0000000 0.5000000), wk = 0.0029499 k( 199) = ( 0.3979592 -0.0000000 0.5000000), wk = 0.0029499 k( 200) = ( 0.4081633 -0.0000000 0.5000000), wk = 0.0029499 k( 201) = ( 0.4183674 -0.0000000 0.5000000), wk = 0.0029499 k( 202) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0029499 k( 203) = ( 0.4387755 -0.0000000 0.5000000), wk = 0.0029499 k( 204) = ( 0.4489796 -0.0000000 0.5000000), wk = 0.0029499 k( 205) = ( 0.4591837 -0.0000000 0.5000000), wk = 0.0029499 k( 206) = ( 0.4693878 -0.0000000 0.5000000), wk = 0.0029499 k( 207) = ( 0.4795918 -0.0000000 0.5000000), wk = 0.0029499 k( 208) = ( 0.4897959 -0.0000000 0.5000000), wk = 0.0029499 k( 209) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029499 k( 210) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029499 k( 211) = ( 0.4942529 0.0114942 0.5000000), wk = 0.0029499 k( 212) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0029499 k( 213) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0029499 k( 214) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0029499 k( 215) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0029499 k( 216) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0029499 k( 217) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0029499 k( 218) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0029499 k( 219) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0029499 k( 220) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0029499 k( 221) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0029499 k( 222) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0029499 k( 223) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0029499 k( 224) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0029499 k( 225) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0029499 k( 226) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0029499 k( 227) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0029499 k( 228) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0029499 k( 229) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0029499 k( 230) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0029499 k( 231) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0029499 k( 232) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0029499 k( 233) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0029499 k( 234) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0029499 k( 235) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0029499 k( 236) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0029499 k( 237) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0029499 k( 238) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0029499 k( 239) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029499 k( 240) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029499 k( 241) = ( 0.3274854 0.3274854 0.5000000), wk = 0.0029499 k( 242) = ( 0.3216374 0.3216374 0.5000000), wk = 0.0029499 k( 243) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0029499 k( 244) = ( 0.3099415 0.3099415 0.5000000), wk = 0.0029499 k( 245) = ( 0.3040936 0.3040936 0.5000000), wk = 0.0029499 k( 246) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0029499 k( 247) = ( 0.2923977 0.2923977 0.5000000), wk = 0.0029499 k( 248) = ( 0.2865497 0.2865497 0.5000000), wk = 0.0029499 k( 249) = ( 0.2807018 0.2807017 0.5000000), wk = 0.0029499 k( 250) = ( 0.2748538 0.2748538 0.5000000), wk = 0.0029499 k( 251) = ( 0.2690058 0.2690058 0.5000000), wk = 0.0029499 k( 252) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0029499 k( 253) = ( 0.2573099 0.2573099 0.5000000), wk = 0.0029499 k( 254) = ( 0.2514620 0.2514620 0.5000000), wk = 0.0029499 k( 255) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0029499 k( 256) = ( 0.2397661 0.2397661 0.5000000), wk = 0.0029499 k( 257) = ( 0.2339181 0.2339181 0.5000000), wk = 0.0029499 k( 258) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0029499 k( 259) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029499 k( 260) = ( 0.2163743 0.2163743 0.5000000), wk = 0.0029499 k( 261) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0029499 k( 262) = ( 0.2046784 0.2046784 0.5000000), wk = 0.0029499 k( 263) = ( 0.1988304 0.1988304 0.5000000), wk = 0.0029499 k( 264) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0029499 k( 265) = ( 0.1871345 0.1871345 0.5000000), wk = 0.0029499 k( 266) = ( 0.1812865 0.1812865 0.5000000), wk = 0.0029499 k( 267) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0029499 k( 268) = ( 0.1695906 0.1695906 0.5000000), wk = 0.0029499 k( 269) = ( 0.1637427 0.1637427 0.5000000), wk = 0.0029499 k( 270) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0029499 k( 271) = ( 0.1520468 0.1520468 0.5000000), wk = 0.0029499 k( 272) = ( 0.1461988 0.1461988 0.5000000), wk = 0.0029499 k( 273) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0029499 k( 274) = ( 0.1345029 0.1345029 0.5000000), wk = 0.0029499 k( 275) = ( 0.1286550 0.1286550 0.5000000), wk = 0.0029499 k( 276) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0029499 k( 277) = ( 0.1169591 0.1169591 0.5000000), wk = 0.0029499 k( 278) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029499 k( 279) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0029499 k( 280) = ( 0.0994152 0.0994152 0.5000000), wk = 0.0029499 k( 281) = ( 0.0935673 0.0935673 0.5000000), wk = 0.0029499 k( 282) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0029499 k( 283) = ( 0.0818713 0.0818713 0.5000000), wk = 0.0029499 k( 284) = ( 0.0760234 0.0760234 0.5000000), wk = 0.0029499 k( 285) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0029499 k( 286) = ( 0.0643275 0.0643275 0.5000000), wk = 0.0029499 k( 287) = ( 0.0584795 0.0584795 0.5000000), wk = 0.0029499 k( 288) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0029499 k( 289) = ( 0.0467836 0.0467836 0.5000000), wk = 0.0029499 k( 290) = ( 0.0409357 0.0409357 0.5000000), wk = 0.0029499 k( 291) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0029499 k( 292) = ( 0.0292398 0.0292398 0.5000000), wk = 0.0029499 k( 293) = ( 0.0233918 0.0233918 0.5000000), wk = 0.0029499 k( 294) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0029499 k( 295) = ( 0.0116959 0.0116959 0.5000000), wk = 0.0029499 k( 296) = ( 0.0058480 0.0058479 0.5000000), wk = 0.0029499 k( 297) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029499 k( 298) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029499 k( 299) = ( 0.5000000 -0.0000000 0.4750000), wk = 0.0029499 k( 300) = ( 0.5000000 -0.0000000 0.4500000), wk = 0.0029499 k( 301) = ( 0.5000000 -0.0000000 0.4250000), wk = 0.0029499 k( 302) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0029499 k( 303) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0029499 k( 304) = ( 0.5000000 -0.0000000 0.3500000), wk = 0.0029499 k( 305) = ( 0.5000000 -0.0000000 0.3250000), wk = 0.0029499 k( 306) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0029499 k( 307) = ( 0.5000000 -0.0000000 0.2750000), wk = 0.0029499 k( 308) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0029499 k( 309) = ( 0.5000000 -0.0000000 0.2250000), wk = 0.0029499 k( 310) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0029499 k( 311) = ( 0.5000000 -0.0000000 0.1750000), wk = 0.0029499 k( 312) = ( 0.5000000 -0.0000000 0.1500000), wk = 0.0029499 k( 313) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0029499 k( 314) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0029499 k( 315) = ( 0.5000000 -0.0000000 0.0750000), wk = 0.0029499 k( 316) = ( 0.5000000 -0.0000000 0.0500000), wk = 0.0029499 k( 317) = ( 0.5000000 -0.0000000 0.0250000), wk = 0.0029499 k( 318) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029499 k( 319) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029499 k( 320) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0029499 k( 321) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0029499 k( 322) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0029499 k( 323) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0029499 k( 324) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0029499 k( 325) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0029499 k( 326) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0029499 k( 327) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0029499 k( 328) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0029499 k( 329) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0029499 k( 330) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0029499 k( 331) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0029499 k( 332) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0029499 k( 333) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0029499 k( 334) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0029499 k( 335) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0029499 k( 336) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0029499 k( 337) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0029499 k( 338) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0029499 k( 339) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029499 Dense grid: 65447 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 28591 G-vectors FFT dimensions: ( 32, 32, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 218, 58) NL pseudopotentials 0.23 Mb ( 109, 138) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1816) G-vector shells 0.01 Mb ( 807) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 218, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 138, 2, 58) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./Y2CxNOx2.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.6 secs Computing kpt #: 10 total cpu time spent up to now is 8.1 secs Computing kpt #: 11 total cpu time spent up to now is 8.7 secs Computing kpt #: 12 total cpu time spent up to now is 9.2 secs Computing kpt #: 13 total cpu time spent up to now is 9.8 secs Computing kpt #: 14 total cpu time spent up to now is 10.3 secs Computing kpt #: 15 total cpu time spent up to now is 10.8 secs Computing kpt #: 16 total cpu time spent up to now is 11.2 secs Computing kpt #: 17 total cpu time spent up to now is 11.8 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.7 secs Computing kpt #: 20 total cpu time spent up to now is 13.1 secs Computing kpt #: 21 total cpu time spent up to now is 13.6 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 14.5 secs Computing kpt #: 24 total cpu time spent up to now is 14.9 secs Computing kpt #: 25 total cpu time spent up to now is 15.3 secs Computing kpt #: 26 total cpu time spent up to now is 15.8 secs Computing kpt #: 27 total cpu time spent up to now is 16.2 secs Computing kpt #: 28 total cpu time spent up to now is 16.7 secs Computing kpt #: 29 total cpu time spent up to now is 17.1 secs Computing kpt #: 30 total cpu time spent up to now is 17.7 secs Computing kpt #: 31 total cpu time spent up to now is 18.2 secs Computing kpt #: 32 total cpu time spent up to now is 18.7 secs Computing kpt #: 33 total cpu time spent up to now is 19.3 secs Computing kpt #: 34 total cpu time spent up to now is 19.8 secs Computing kpt #: 35 total cpu time spent up to now is 20.4 secs Computing kpt #: 36 total cpu time spent up to now is 21.0 secs Computing kpt #: 37 total cpu time spent up to now is 21.6 secs Computing kpt #: 38 total cpu time spent up to now is 22.2 secs Computing kpt #: 39 total cpu time spent up to now is 22.7 secs Computing kpt #: 40 total cpu time spent up to now is 23.4 secs Computing kpt #: 41 total cpu time spent up to now is 23.9 secs Computing kpt #: 42 total cpu time spent up to now is 24.5 secs Computing kpt #: 43 total cpu time spent up to now is 25.1 secs Computing kpt #: 44 total cpu time spent up to now is 25.7 secs Computing kpt #: 45 total cpu time spent up to now is 26.3 secs Computing kpt #: 46 total cpu time spent up to now is 27.1 secs Computing kpt #: 47 total cpu time spent up to now is 27.7 secs Computing kpt #: 48 total cpu time spent up to now is 28.4 secs Computing kpt #: 49 total cpu time spent up to now is 29.0 secs Computing kpt #: 50 total cpu time spent up to now is 29.7 secs Computing kpt #: 51 total cpu time spent up to now is 30.3 secs Computing kpt #: 52 total cpu time spent up to now is 30.9 secs Computing kpt #: 53 total cpu time spent up to now is 31.4 secs Computing kpt #: 54 total cpu time spent up to now is 31.9 secs Computing kpt #: 55 total cpu time spent up to now is 32.4 secs Computing kpt #: 56 total cpu time spent up to now is 32.9 secs Computing kpt #: 57 total cpu time spent up to now is 33.5 secs Computing kpt #: 58 total cpu time spent up to now is 34.0 secs Computing kpt #: 59 total cpu time spent up to now is 34.5 secs Computing kpt #: 60 total cpu time spent up to now is 35.0 secs Computing kpt #: 61 total cpu time spent up to now is 35.5 secs Computing kpt #: 62 total cpu time spent up to now is 36.0 secs Computing kpt #: 63 total cpu time spent up to now is 36.5 secs Computing kpt #: 64 total cpu time spent up to now is 37.0 secs Computing kpt #: 65 total cpu time spent up to now is 37.4 secs Computing kpt #: 66 total cpu time spent up to now is 37.9 secs Computing kpt #: 67 total cpu time spent up to now is 38.4 secs Computing kpt #: 68 total cpu time spent up to now is 38.8 secs Computing kpt #: 69 total cpu time spent up to now is 39.3 secs Computing kpt #: 70 total cpu time spent up to now is 39.8 secs Computing kpt #: 71 total cpu time spent up to now is 40.3 secs Computing kpt #: 72 total cpu time spent up to now is 40.8 secs Computing kpt #: 73 total cpu time spent up to now is 41.2 secs Computing kpt #: 74 total cpu time spent up to now is 41.7 secs Computing kpt #: 75 total cpu time spent up to now is 42.3 secs Computing kpt #: 76 total cpu time spent up to now is 42.8 secs Computing kpt #: 77 total cpu time spent up to now is 43.3 secs Computing kpt #: 78 total cpu time spent up to now is 43.9 secs Computing kpt #: 79 total cpu time spent up to now is 44.5 secs Computing kpt #: 80 total cpu time spent up to now is 45.1 secs Computing kpt #: 81 total cpu time spent up to now is 45.7 secs Computing kpt #: 82 total cpu time spent up to now is 46.4 secs Computing kpt #: 83 total cpu time spent up to now is 47.0 secs Computing kpt #: 84 total cpu time spent up to now is 47.6 secs Computing kpt #: 85 total cpu time spent up to now is 48.2 secs Computing kpt #: 86 total cpu time spent up to now is 48.7 secs Computing kpt #: 87 total cpu time spent up to now is 49.3 secs Computing kpt #: 88 total cpu time spent up to now is 49.9 secs Computing kpt #: 89 total cpu time spent up to now is 50.4 secs Computing kpt #: 90 total cpu time spent up to now is 51.0 secs Computing kpt #: 91 total cpu time spent up to now is 51.6 secs Computing kpt #: 92 total cpu time spent up to now is 52.2 secs Computing kpt #: 93 total cpu time spent up to now is 52.8 secs Computing kpt #: 94 total cpu time spent up to now is 53.4 secs Computing kpt #: 95 total cpu time spent up to now is 53.9 secs Computing kpt #: 96 total cpu time spent up to now is 54.5 secs Computing kpt #: 97 total cpu time spent up to now is 55.0 secs Computing kpt #: 98 total cpu time spent up to now is 55.5 secs Computing kpt #: 99 total cpu time spent up to now is 56.0 secs Computing kpt #: 100 total cpu time spent up to now is 56.5 secs Computing kpt #: 101 total cpu time spent up to now is 57.0 secs Computing kpt #: 102 total cpu time spent up to now is 57.6 secs Computing kpt #: 103 total cpu time spent up to now is 58.1 secs Computing kpt #: 104 total cpu time spent up to now is 58.6 secs Computing kpt #: 105 total cpu time spent up to now is 59.1 secs Computing kpt #: 106 total cpu time spent up to now is 59.7 secs Computing kpt #: 107 total cpu time spent up to now is 60.2 secs Computing kpt #: 108 total cpu time spent up to now is 60.7 secs Computing kpt #: 109 total cpu time spent up to now is 61.2 secs Computing kpt #: 110 total cpu time spent up to now is 61.7 secs Computing kpt #: 111 total cpu time spent up to now is 62.2 secs Computing kpt #: 112 total cpu time spent up to now is 62.6 secs Computing kpt #: 113 total cpu time spent up to now is 63.1 secs Computing kpt #: 114 total cpu time spent up to now is 63.6 secs Computing kpt #: 115 total cpu time spent up to now is 64.0 secs Computing kpt #: 116 total cpu time spent up to now is 64.5 secs Computing kpt #: 117 total cpu time spent up to now is 65.0 secs Computing kpt #: 118 total cpu time spent up to now is 65.4 secs Computing kpt #: 119 total cpu time spent up to now is 66.0 secs Computing kpt #: 120 total cpu time spent up to now is 66.5 secs Computing kpt #: 121 total cpu time spent up to now is 67.0 secs Computing kpt #: 122 total cpu time spent up to now is 67.5 secs Computing kpt #: 123 total cpu time spent up to now is 67.9 secs Computing kpt #: 124 total cpu time spent up to now is 68.4 secs Computing kpt #: 125 total cpu time spent up to now is 68.9 secs Computing kpt #: 126 total cpu time spent up to now is 69.4 secs Computing kpt #: 127 total cpu time spent up to now is 69.9 secs Computing kpt #: 128 total cpu time spent up to now is 70.3 secs Computing kpt #: 129 total cpu time spent up to now is 70.8 secs Computing kpt #: 130 total cpu time spent up to now is 71.3 secs Computing kpt #: 131 total cpu time spent up to now is 71.7 secs Computing kpt #: 132 total cpu time spent up to now is 72.2 secs Computing kpt #: 133 total cpu time spent up to now is 72.7 secs Computing kpt #: 134 total cpu time spent up to now is 73.2 secs Computing kpt #: 135 total cpu time spent up to now is 73.6 secs Computing kpt #: 136 total cpu time spent up to now is 74.1 secs Computing kpt #: 137 total cpu time spent up to now is 74.6 secs Computing kpt #: 138 total cpu time spent up to now is 75.1 secs Computing kpt #: 139 total cpu time spent up to now is 75.6 secs Computing kpt #: 140 total cpu time spent up to now is 76.1 secs Computing kpt #: 141 total cpu time spent up to now is 76.7 secs Computing kpt #: 142 total cpu time spent up to now is 77.2 secs Computing kpt #: 143 total cpu time spent up to now is 77.7 secs Computing kpt #: 144 total cpu time spent up to now is 78.2 secs Computing kpt #: 145 total cpu time spent up to now is 78.7 secs Computing kpt #: 146 total cpu time spent up to now is 79.3 secs Computing kpt #: 147 total cpu time spent up to now is 80.2 secs Computing kpt #: 148 total cpu time spent up to now is 80.7 secs Computing kpt #: 149 total cpu time spent up to now is 81.2 secs Computing kpt #: 150 total cpu time spent up to now is 81.8 secs Computing kpt #: 151 total cpu time spent up to now is 82.3 secs Computing kpt #: 152 total cpu time spent up to now is 82.8 secs Computing kpt #: 153 total cpu time spent up to now is 83.3 secs Computing kpt #: 154 total cpu time spent up to now is 83.8 secs Computing kpt #: 155 total cpu time spent up to now is 84.4 secs Computing kpt #: 156 total cpu time spent up to now is 84.9 secs Computing kpt #: 157 total cpu time spent up to now is 85.5 secs Computing kpt #: 158 total cpu time spent up to now is 86.0 secs Computing kpt #: 159 total cpu time spent up to now is 86.5 secs Computing kpt #: 160 total cpu time spent up to now is 87.1 secs Computing kpt #: 161 total cpu time spent up to now is 87.6 secs Computing kpt #: 162 total cpu time spent up to now is 88.1 secs Computing kpt #: 163 total cpu time spent up to now is 88.6 secs Computing kpt #: 164 total cpu time spent up to now is 89.1 secs Computing kpt #: 165 total cpu time spent up to now is 89.6 secs Computing kpt #: 166 total cpu time spent up to now is 90.1 secs Computing kpt #: 167 total cpu time spent up to now is 90.6 secs Computing kpt #: 168 total cpu time spent up to now is 91.2 secs Computing kpt #: 169 total cpu time spent up to now is 91.7 secs Computing kpt #: 170 total cpu time spent up to now is 92.2 secs Computing kpt #: 171 total cpu time spent up to now is 92.7 secs Computing kpt #: 172 total cpu time spent up to now is 93.2 secs Computing kpt #: 173 total cpu time spent up to now is 93.7 secs Computing kpt #: 174 total cpu time spent up to now is 94.2 secs Computing kpt #: 175 total cpu time spent up to now is 94.7 secs Computing kpt #: 176 total cpu time spent up to now is 95.2 secs Computing kpt #: 177 total cpu time spent up to now is 95.8 secs Computing kpt #: 178 total cpu time spent up to now is 96.3 secs Computing kpt #: 179 total cpu time spent up to now is 96.8 secs Computing kpt #: 180 total cpu time spent up to now is 97.3 secs Computing kpt #: 181 total cpu time spent up to now is 97.8 secs Computing kpt #: 182 total cpu time spent up to now is 98.2 secs Computing kpt #: 183 total cpu time spent up to now is 98.7 secs Computing kpt #: 184 total cpu time spent up to now is 99.2 secs Computing kpt #: 185 total cpu time spent up to now is 99.6 secs Computing kpt #: 186 total cpu time spent up to now is 100.1 secs Computing kpt #: 187 total cpu time spent up to now is 100.5 secs Computing kpt #: 188 total cpu time spent up to now is 101.0 secs Computing kpt #: 189 total cpu time spent up to now is 101.4 secs Computing kpt #: 190 total cpu time spent up to now is 101.8 secs Computing kpt #: 191 total cpu time spent up to now is 102.2 secs Computing kpt #: 192 total cpu time spent up to now is 102.7 secs Computing kpt #: 193 total cpu time spent up to now is 103.1 secs Computing kpt #: 194 total cpu time spent up to now is 103.6 secs Computing kpt #: 195 total cpu time spent up to now is 104.0 secs Computing kpt #: 196 total cpu time spent up to now is 104.4 secs Computing kpt #: 197 total cpu time spent up to now is 104.9 secs Computing kpt #: 198 total cpu time spent up to now is 105.3 secs Computing kpt #: 199 total cpu time spent up to now is 105.8 secs Computing kpt #: 200 total cpu time spent up to now is 106.2 secs Computing kpt #: 201 total cpu time spent up to now is 106.7 secs Computing kpt #: 202 total cpu time spent up to now is 107.1 secs Computing kpt #: 203 total cpu time spent up to now is 107.6 secs Computing kpt #: 204 total cpu time spent up to now is 108.0 secs Computing kpt #: 205 total cpu time spent up to now is 108.5 secs Computing kpt #: 206 total cpu time spent up to now is 108.9 secs Computing kpt #: 207 total cpu time spent up to now is 109.3 secs Computing kpt #: 208 total cpu time spent up to now is 109.9 secs Computing kpt #: 209 total cpu time spent up to now is 110.4 secs Computing kpt #: 210 total cpu time spent up to now is 110.8 secs Computing kpt #: 211 total cpu time spent up to now is 111.3 secs Computing kpt #: 212 total cpu time spent up to now is 111.7 secs Computing kpt #: 213 total cpu time spent up to now is 112.2 secs Computing kpt #: 214 total cpu time spent up to now is 112.6 secs Computing kpt #: 215 total cpu time spent up to now is 113.1 secs Computing kpt #: 216 total cpu time spent up to now is 113.5 secs Computing kpt #: 217 total cpu time spent up to now is 114.0 secs Computing kpt #: 218 total cpu time spent up to now is 114.5 secs Computing kpt #: 219 total cpu time spent up to now is 115.2 secs Computing kpt #: 220 total cpu time spent up to now is 115.7 secs Computing kpt #: 221 total cpu time spent up to now is 116.2 secs Computing kpt #: 222 total cpu time spent up to now is 116.8 secs Computing kpt #: 223 total cpu time spent up to now is 117.3 secs Computing kpt #: 224 total cpu time spent up to now is 117.9 secs Computing kpt #: 225 total cpu time spent up to now is 118.6 secs Computing kpt #: 226 total cpu time spent up to now is 119.5 secs Computing kpt #: 227 total cpu time spent up to now is 120.3 secs Computing kpt #: 228 total cpu time spent up to now is 121.2 secs Computing kpt #: 229 total cpu time spent up to now is 122.0 secs Computing kpt #: 230 total cpu time spent up to now is 122.7 secs Computing kpt #: 231 total cpu time spent up to now is 123.4 secs Computing kpt #: 232 total cpu time spent up to now is 124.2 secs Computing kpt #: 233 total cpu time spent up to now is 124.9 secs Computing kpt #: 234 total cpu time spent up to now is 125.6 secs Computing kpt #: 235 total cpu time spent up to now is 126.2 secs Computing kpt #: 236 total cpu time spent up to now is 127.0 secs Computing kpt #: 237 total cpu time spent up to now is 128.1 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.5 secs Computing kpt #: 239 total cpu time spent up to now is 130.0 secs Computing kpt #: 240 total cpu time spent up to now is 130.5 secs Computing kpt #: 241 total cpu time spent up to now is 131.8 secs Computing kpt #: 242 total cpu time spent up to now is 132.7 secs Computing kpt #: 243 total cpu time spent up to now is 133.4 secs Computing kpt #: 244 total cpu time spent up to now is 134.0 secs Computing kpt #: 245 total cpu time spent up to now is 134.6 secs Computing kpt #: 246 total cpu time spent up to now is 135.2 secs Computing kpt #: 247 total cpu time spent up to now is 135.7 secs Computing kpt #: 248 total cpu time spent up to now is 136.2 secs Computing kpt #: 249 total cpu time spent up to now is 136.8 secs Computing kpt #: 250 total cpu time spent up to now is 137.3 secs Computing kpt #: 251 total cpu time spent up to now is 137.8 secs Computing kpt #: 252 total cpu time spent up to now is 138.3 secs Computing kpt #: 253 total cpu time spent up to now is 138.8 secs Computing kpt #: 254 total cpu time spent up to now is 139.3 secs Computing kpt #: 255 total cpu time spent up to now is 139.8 secs Computing kpt #: 256 total cpu time spent up to now is 140.4 secs Computing kpt #: 257 total cpu time spent up to now is 140.9 secs Computing kpt #: 258 total cpu time spent up to now is 141.4 secs Computing kpt #: 259 total cpu time spent up to now is 141.9 secs Computing kpt #: 260 total cpu time spent up to now is 142.4 secs Computing kpt #: 261 total cpu time spent up to now is 142.9 secs Computing kpt #: 262 total cpu time spent up to now is 143.4 secs Computing kpt #: 263 total cpu time spent up to now is 143.9 secs Computing kpt #: 264 total cpu time spent up to now is 144.5 secs Computing kpt #: 265 total cpu time spent up to now is 145.0 secs Computing kpt #: 266 total cpu time spent up to now is 145.6 secs Computing kpt #: 267 total cpu time spent up to now is 146.2 secs Computing kpt #: 268 total cpu time spent up to now is 146.8 secs Computing kpt #: 269 total cpu time spent up to now is 147.4 secs Computing kpt #: 270 total cpu time spent up to now is 147.9 secs Computing kpt #: 271 total cpu time spent up to now is 148.4 secs Computing kpt #: 272 total cpu time spent up to now is 149.0 secs Computing kpt #: 273 total cpu time spent up to now is 149.5 secs Computing kpt #: 274 total cpu time spent up to now is 150.1 secs Computing kpt #: 275 total cpu time spent up to now is 150.6 secs Computing kpt #: 276 total cpu time spent up to now is 151.1 secs Computing kpt #: 277 total cpu time spent up to now is 151.7 secs Computing kpt #: 278 total cpu time spent up to now is 152.2 secs Computing kpt #: 279 total cpu time spent up to now is 152.7 secs Computing kpt #: 280 total cpu time spent up to now is 153.3 secs Computing kpt #: 281 total cpu time spent up to now is 153.8 secs Computing kpt #: 282 total cpu time spent up to now is 154.3 secs Computing kpt #: 283 total cpu time spent up to now is 154.8 secs Computing kpt #: 284 total cpu time spent up to now is 155.3 secs Computing kpt #: 285 total cpu time spent up to now is 155.9 secs Computing kpt #: 286 total cpu time spent up to now is 156.4 secs Computing kpt #: 287 total cpu time spent up to now is 156.9 secs Computing kpt #: 288 total cpu time spent up to now is 157.4 secs Computing kpt #: 289 total cpu time spent up to now is 157.9 secs Computing kpt #: 290 total cpu time spent up to now is 158.4 secs Computing kpt #: 291 total cpu time spent up to now is 158.9 secs Computing kpt #: 292 total cpu time spent up to now is 159.4 secs Computing kpt #: 293 total cpu time spent up to now is 159.9 secs Computing kpt #: 294 total cpu time spent up to now is 160.5 secs Computing kpt #: 295 total cpu time spent up to now is 161.0 secs Computing kpt #: 296 total cpu time spent up to now is 161.5 secs Computing kpt #: 297 total cpu time spent up to now is 162.0 secs Computing kpt #: 298 total cpu time spent up to now is 162.4 secs Computing kpt #: 299 total cpu time spent up to now is 162.9 secs Computing kpt #: 300 total cpu time spent up to now is 163.3 secs Computing kpt #: 301 total cpu time spent up to now is 163.8 secs Computing kpt #: 302 total cpu time spent up to now is 164.3 secs Computing kpt #: 303 total cpu time spent up to now is 164.8 secs Computing kpt #: 304 total cpu time spent up to now is 165.3 secs Computing kpt #: 305 total cpu time spent up to now is 165.7 secs Computing kpt #: 306 total cpu time spent up to now is 166.3 secs Computing kpt #: 307 total cpu time spent up to now is 166.8 secs Computing kpt #: 308 total cpu time spent up to now is 167.3 secs Computing kpt #: 309 total cpu time spent up to now is 167.9 secs Computing kpt #: 310 total cpu time spent up to now is 168.5 secs Computing kpt #: 311 total cpu time spent up to now is 169.1 secs Computing kpt #: 312 total cpu time spent up to now is 169.7 secs Computing kpt #: 313 total cpu time spent up to now is 170.3 secs Computing kpt #: 314 total cpu time spent up to now is 170.9 secs Computing kpt #: 315 total cpu time spent up to now is 171.5 secs Computing kpt #: 316 total cpu time spent up to now is 172.2 secs Computing kpt #: 317 total cpu time spent up to now is 172.8 secs Computing kpt #: 318 total cpu time spent up to now is 173.5 secs Computing kpt #: 319 total cpu time spent up to now is 174.1 secs Computing kpt #: 320 total cpu time spent up to now is 174.8 secs Computing kpt #: 321 total cpu time spent up to now is 175.5 secs Computing kpt #: 322 total cpu time spent up to now is 176.2 secs Computing kpt #: 323 total cpu time spent up to now is 176.8 secs Computing kpt #: 324 total cpu time spent up to now is 177.4 secs Computing kpt #: 325 total cpu time spent up to now is 178.1 secs Computing kpt #: 326 total cpu time spent up to now is 178.7 secs Computing kpt #: 327 total cpu time spent up to now is 179.4 secs Computing kpt #: 328 total cpu time spent up to now is 180.1 secs Computing kpt #: 329 total cpu time spent up to now is 180.8 secs Computing kpt #: 330 total cpu time spent up to now is 181.4 secs Computing kpt #: 331 total cpu time spent up to now is 182.8 secs Computing kpt #: 332 total cpu time spent up to now is 183.5 secs Computing kpt #: 333 total cpu time spent up to now is 184.2 secs Computing kpt #: 334 total cpu time spent up to now is 185.3 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 186.7 secs Computing kpt #: 336 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.2 secs Computing kpt #: 337 total cpu time spent up to now is 188.7 secs Computing kpt #: 338 total cpu time spent up to now is 189.2 secs Computing kpt #: 339 total cpu time spent up to now is 189.7 secs ethr = 2.08E-08, avg # of iterations = 26.8 total cpu time spent up to now is 189.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3651 PWs) bands (ev): -32.6681 -32.6681 -32.6208 -32.6208 -13.8769 -13.8769 -13.5510 -13.5510 -12.6198 -12.6198 -12.1593 -12.1593 -12.1329 -12.1329 -12.0624 -12.0624 -9.6309 -9.6309 -8.7347 -8.7347 -8.4013 -8.4013 -7.5111 -7.5111 1.6722 1.6722 2.9290 2.9290 3.7585 3.7585 3.7648 3.7648 4.3060 4.3060 4.3315 4.3315 4.7282 4.7282 5.2639 5.2639 5.2862 5.2862 6.7561 6.7561 7.4370 7.4370 7.4731 7.4731 11.4783 11.4783 12.7674 12.7674 13.0349 13.0349 13.0510 13.0510 13.0609 13.0609 k = 0.0102 0.0059-0.0000 ( 3651 PWs) bands (ev): -32.6680 -32.6680 -32.6208 -32.6208 -13.8770 -13.8770 -13.5514 -13.5514 -12.6202 -12.6202 -12.1599 -12.1599 -12.1333 -12.1333 -12.0630 -12.0630 -9.6301 -9.6301 -8.7334 -8.7334 -8.4008 -8.4008 -7.5112 -7.5112 1.6718 1.6718 2.9275 2.9275 3.7582 3.7582 3.7646 3.7646 4.3078 4.3078 4.3334 4.3334 4.7278 4.7278 5.2645 5.2645 5.2868 5.2868 6.7534 6.7534 7.4367 7.4367 7.4728 7.4728 11.4808 11.4808 12.7593 12.7593 13.0096 13.0096 13.0194 13.0194 13.0902 13.0902 k = 0.0204 0.0118-0.0000 ( 3639 PWs) bands (ev): -32.6678 -32.6678 -32.6207 -32.6207 -13.8774 -13.8774 -13.5523 -13.5523 -12.6213 -12.6213 -12.1619 -12.1619 -12.1345 -12.1345 -12.0650 -12.0650 -9.6279 -9.6279 -8.7295 -8.7295 -8.3991 -8.3991 -7.5115 -7.5115 1.6706 1.6706 2.9231 2.9231 3.7573 3.7573 3.7643 3.7643 4.3125 4.3125 4.3394 4.3394 4.7267 4.7267 5.2664 5.2664 5.2885 5.2885 6.7455 6.7455 7.4358 7.4358 7.4719 7.4719 11.4882 11.4882 12.7366 12.7366 12.9746 12.9746 12.9928 12.9928 13.1313 13.1313 k = 0.0306 0.0177-0.0000 ( 3625 PWs) bands (ev): -32.6676 -32.6676 -32.6205 -32.6205 -13.8781 -13.8781 -13.5540 -13.5540 -12.6230 -12.6230 -12.1653 -12.1653 -12.1362 -12.1362 -12.0682 -12.0682 -9.6243 -9.6243 -8.7229 -8.7229 -8.3963 -8.3963 -7.5121 -7.5121 1.6686 1.6686 2.9159 2.9159 3.7551 3.7551 3.7644 3.7644 4.3189 4.3189 4.3505 4.3505 4.7249 4.7249 5.2695 5.2695 5.2915 5.2915 6.7324 6.7324 7.4342 7.4342 7.4704 7.4704 11.5004 11.5004 12.7034 12.7034 12.9387 12.9387 12.9754 12.9754 13.1736 13.1736 k = 0.0408 0.0236-0.0000 ( 3617 PWs) bands (ev): -32.6672 -32.6672 -32.6203 -32.6203 -13.8790 -13.8790 -13.5563 -13.5563 -12.6255 -12.6255 -12.1703 -12.1703 -12.1385 -12.1385 -12.0725 -12.0725 -9.6192 -9.6192 -8.7138 -8.7138 -8.3924 -8.3924 -7.5128 -7.5128 1.6659 1.6659 2.9062 2.9062 3.7513 3.7513 3.7651 3.7651 4.3261 4.3261 4.3675 4.3675 4.7223 4.7223 5.2738 5.2738 5.2958 5.2958 6.7144 6.7144 7.4315 7.4315 7.4686 7.4686 11.5172 11.5172 12.6643 12.6643 12.9035 12.9035 12.9636 12.9636 13.2165 13.2165 k = 0.0510 0.0295-0.0000 ( 3605 PWs) bands (ev): -32.6667 -32.6667 -32.6200 -32.6200 -13.8803 -13.8803 -13.5592 -13.5592 -12.6288 -12.6288 -12.1770 -12.1770 -12.1412 -12.1412 -12.0778 -12.0778 -9.6129 -9.6129 -8.7023 -8.7023 -8.3873 -8.3873 -7.5138 -7.5138 1.6625 1.6625 2.8944 2.8944 3.7461 3.7461 3.7664 3.7664 4.3340 4.3340 4.3899 4.3899 4.7190 4.7190 5.2793 5.2793 5.3013 5.3013 6.6917 6.6917 7.4275 7.4275 7.4667 7.4667 11.5385 11.5385 12.6229 12.6229 12.8695 12.8695 12.9553 12.9553 13.2601 13.2601 k = 0.0612 0.0353-0.0000 ( 3603 PWs) bands (ev): -32.6660 -32.6660 -32.6196 -32.6196 -13.8818 -13.8818 -13.5628 -13.5628 -12.6327 -12.6327 -12.1854 -12.1854 -12.1443 -12.1443 -12.0837 -12.0837 -9.6054 -9.6054 -8.6885 -8.6885 -8.3811 -8.3811 -7.5149 -7.5149 1.6584 1.6584 2.8807 2.8807 3.7395 3.7395 3.7679 3.7679 4.3428 4.3428 4.4170 4.4170 4.7150 4.7150 5.2861 5.2861 5.3083 5.3083 6.6646 6.6646 7.4220 7.4220 7.4646 7.4646 11.5637 11.5637 12.5817 12.5817 12.8367 12.8367 12.9492 12.9492 13.3042 13.3042 k = 0.0714 0.0412-0.0000 ( 3603 PWs) bands (ev): -32.6653 -32.6653 -32.6191 -32.6191 -13.8836 -13.8836 -13.5671 -13.5671 -12.6373 -12.6373 -12.1955 -12.1955 -12.1480 -12.1480 -12.0902 -12.0902 -9.5969 -9.5969 -8.6725 -8.6725 -8.3739 -8.3739 -7.5162 -7.5162 1.6539 1.6539 2.8656 2.8656 3.7314 3.7314 3.7698 3.7698 4.3527 4.3527 4.4480 4.4480 4.7106 4.7106 5.2942 5.2942 5.3166 5.3166 6.6335 6.6335 7.4149 7.4149 7.4623 7.4623 11.5925 11.5925 12.5425 12.5425 12.8052 12.8052 12.9448 12.9448 13.3483 13.3483 k = 0.0816 0.0471-0.0000 ( 3603 PWs) bands (ev): -32.6645 -32.6645 -32.6186 -32.6186 -13.8858 -13.8858 -13.5721 -13.5721 -12.6427 -12.6427 -12.2070 -12.2070 -12.1524 -12.1524 -12.0967 -12.0967 -9.5875 -9.5875 -8.6545 -8.6545 -8.3654 -8.3654 -7.5176 -7.5176 1.6490 1.6490 2.8495 2.8495 3.7219 3.7219 3.7718 3.7718 4.3637 4.3637 4.4818 4.4818 4.7061 4.7061 5.3035 5.3035 5.3264 5.3264 6.5987 6.5987 7.4063 7.4063 7.4599 7.4599 11.6244 11.6244 12.5063 12.5063 12.7750 12.7750 12.9416 12.9416 13.3881 13.3881 k = 0.0918 0.0530-0.0000 ( 3603 PWs) bands (ev): -32.6636 -32.6636 -32.6181 -32.6181 -13.8883 -13.8883 -13.5778 -13.5778 -12.6487 -12.6487 -12.2200 -12.2200 -12.1577 -12.1577 -12.1029 -12.1029 -9.5772 -9.5772 -8.6346 -8.6346 -8.3559 -8.3559 -7.5190 -7.5190 1.6437 1.6437 2.8328 2.8328 3.7109 3.7109 3.7739 3.7739 4.3760 4.3760 4.5175 4.5175 4.7022 4.7022 5.3139 5.3139 5.3377 5.3377 6.5606 6.5606 7.3963 7.3963 7.4571 7.4571 11.6585 11.6585 12.4742 12.4742 12.7462 12.7462 12.9396 12.9396 13.4123 13.4123 k = 0.1020 0.0589-0.0000 ( 3591 PWs) bands (ev): -32.6626 -32.6626 -32.6175 -32.6175 -13.8911 -13.8911 -13.5841 -13.5841 -12.6553 -12.6553 -12.2341 -12.2341 -12.1640 -12.1640 -12.1087 -12.1087 -9.5663 -9.5663 -8.6130 -8.6130 -8.3453 -8.3453 -7.5205 -7.5205 1.6383 1.6383 2.8158 2.8158 3.6983 3.6983 3.7761 3.7761 4.3894 4.3894 4.5530 4.5530 4.7005 4.7005 5.3253 5.3253 5.3506 5.3506 6.5197 6.5197 7.3849 7.3849 7.4538 7.4538 11.6943 11.6943 12.4470 12.4470 12.7187 12.7187 12.9389 12.9389 13.4279 13.4279 k = 0.1122 0.0648-0.0000 ( 3587 PWs) bands (ev): -32.6614 -32.6614 -32.6168 -32.6168 -13.8942 -13.8942 -13.5912 -13.5912 -12.6626 -12.6626 -12.2495 -12.2495 -12.1714 -12.1714 -12.1137 -12.1137 -9.5550 -9.5550 -8.5899 -8.5899 -8.3336 -8.3336 -7.5221 -7.5221 1.6328 1.6328 2.7989 2.7989 3.6841 3.6841 3.7782 3.7782 4.4041 4.4041 4.5847 4.5847 4.7042 4.7042 5.3375 5.3375 5.3651 5.3651 6.4762 6.4762 7.3723 7.3723 7.4499 7.4499 11.7306 11.7306 12.4254 12.4254 12.6926 12.6926 12.9392 12.9392 13.4381 13.4381 k = 0.1224 0.0707-0.0000 ( 3575 PWs) bands (ev): -32.6602 -32.6602 -32.6161 -32.6161 -13.8977 -13.8977 -13.5989 -13.5989 -12.6704 -12.6704 -12.2658 -12.2658 -12.1796 -12.1796 -12.1180 -12.1180 -9.5433 -9.5433 -8.5656 -8.5656 -8.3209 -8.3209 -7.5236 -7.5236 1.6274 1.6274 2.7823 2.7823 3.6683 3.6683 3.7803 3.7803 4.4198 4.4198 4.6066 4.6066 4.7191 4.7191 5.3503 5.3503 5.3813 5.3813 6.4307 6.4307 7.3585 7.3585 7.4454 7.4454 11.7664 11.7664 12.4103 12.4103 12.6679 12.6679 12.9408 12.9408 13.4442 13.4442 k = 0.1327 0.0766-0.0000 ( 3579 PWs) bands (ev): -32.6589 -32.6589 -32.6153 -32.6153 -13.9016 -13.9016 -13.6073 -13.6073 -12.6788 -12.6788 -12.2830 -12.2830 -12.1886 -12.1886 -12.1218 -12.1218 -9.5315 -9.5315 -8.5401 -8.5401 -8.3072 -8.3072 -7.5250 -7.5250 1.6222 1.6222 2.7665 2.7665 3.6507 3.6507 3.7822 3.7822 4.4367 4.4367 4.6156 4.6156 4.7481 4.7481 5.3635 5.3635 5.3991 5.3991 6.3836 6.3836 7.3437 7.3437 7.4402 7.4402 11.8005 11.8005 12.4022 12.4022 12.6447 12.6447 12.9434 12.9434 13.4475 13.4475 k = 0.1429 0.0825-0.0000 ( 3583 PWs) bands (ev): -32.6576 -32.6576 -32.6145 -32.6145 -13.9058 -13.9058 -13.6165 -13.6165 -12.6877 -12.6877 -12.3009 -12.3009 -12.1979 -12.1979 -12.1250 -12.1250 -9.5196 -9.5196 -8.5138 -8.5138 -8.2925 -8.2925 -7.5262 -7.5262 1.6172 1.6172 2.7514 2.7514 3.6315 3.6315 3.7840 3.7840 4.4546 4.4546 4.6154 4.6154 4.7872 4.7872 5.3766 5.3766 5.4186 5.4186 6.3353 6.3353 7.3280 7.3280 7.4343 7.4343 11.8320 11.8320 12.4017 12.4017 12.6229 12.6229 12.9473 12.9473 13.4490 13.4490 k = 0.1531 0.0884-0.0000 ( 3577 PWs) bands (ev): -32.6561 -32.6561 -32.6136 -32.6136 -13.9104 -13.9104 -13.6263 -13.6263 -12.6969 -12.6969 -12.3195 -12.3195 -12.2074 -12.2074 -12.1278 -12.1278 -9.5077 -9.5077 -8.4867 -8.4867 -8.2769 -8.2769 -7.5272 -7.5272 1.6127 1.6127 2.7375 2.7375 3.6105 3.6105 3.7854 3.7854 4.4735 4.4735 4.6108 4.6108 4.8316 4.8316 5.3893 5.3893 5.4399 5.4399 6.2864 6.2864 7.3114 7.3114 7.4277 7.4277 11.8599 11.8599 12.4088 12.4088 12.6026 12.6026 12.9525 12.9525 13.4499 13.4499 k = 0.1633 0.0943-0.0000 ( 3581 PWs) bands (ev): -32.6546 -32.6546 -32.6127 -32.6127 -13.9154 -13.9154 -13.6368 -13.6368 -12.7065 -12.7065 -12.3385 -12.3385 -12.2168 -12.2168 -12.1304 -12.1304 -9.4961 -9.4961 -8.4592 -8.4592 -8.2606 -8.2606 -7.5279 -7.5279 1.6086 1.6086 2.7248 2.7248 3.5878 3.5878 3.7866 3.7866 4.4932 4.4932 4.6042 4.6042 4.8787 4.8787 5.4013 5.4013 5.4628 5.4628 6.2374 6.2374 7.2940 7.2940 7.4205 7.4205 11.8838 11.8838 12.4231 12.4231 12.5837 12.5837 12.9592 12.9592 13.4511 13.4511 k = 0.1735 0.1002-0.0000 ( 3577 PWs) bands (ev): -32.6530 -32.6530 -32.6118 -32.6118 -13.9207 -13.9207 -13.6480 -13.6480 -12.7164 -12.7164 -12.3579 -12.3579 -12.2260 -12.2260 -12.1327 -12.1327 -9.4848 -9.4848 -8.4313 -8.4313 -8.2436 -8.2436 -7.5283 -7.5283 1.6051 1.6051 2.7136 2.7136 3.5634 3.5634 3.7874 3.7874 4.5136 4.5136 4.5969 4.5969 4.9270 4.9270 5.4121 5.4121 5.4873 5.4873 6.1889 6.1889 7.2759 7.2759 7.4126 7.4126 11.9038 11.9038 12.4433 12.4433 12.5664 12.5664 12.9675 12.9675 13.4536 13.4536 k = 0.1837 0.1060-0.0000 ( 3577 PWs) bands (ev): -32.6514 -32.6514 -32.6108 -32.6108 -13.9264 -13.9264 -13.6599 -13.6599 -12.7263 -12.7263 -12.3776 -12.3776 -12.2349 -12.2349 -12.1350 -12.1350 -9.4739 -9.4739 -8.4032 -8.4032 -8.2260 -8.2260 -7.5282 -7.5282 1.6024 1.6024 2.7038 2.7038 3.5375 3.5375 3.7879 3.7879 4.5342 4.5342 4.5898 4.5898 4.9758 4.9758 5.4212 5.4212 5.5134 5.5134 6.1417 6.1417 7.2573 7.2573 7.4042 7.4042 11.9205 11.9205 12.4674 12.4674 12.5506 12.5506 12.9781 12.9781 13.4582 13.4582 k = 0.1939 0.1119-0.0000 ( 3569 PWs) bands (ev): -32.6497 -32.6497 -32.6099 -32.6099 -13.9325 -13.9325 -13.6723 -13.6723 -12.7363 -12.7363 -12.3974 -12.3974 -12.2432 -12.2432 -12.1371 -12.1371 -9.4635 -9.4635 -8.3752 -8.3752 -8.2080 -8.2080 -7.5275 -7.5275 1.6003 1.6003 2.6957 2.6957 3.5101 3.5101 3.7879 3.7879 4.5528 4.5528 4.5852 4.5852 5.0245 5.0245 5.4282 5.4282 5.5410 5.5410 6.0965 6.0965 7.2381 7.2381 7.3953 7.3953 11.9349 11.9349 12.4929 12.4929 12.5364 12.5364 12.9915 12.9915 13.4654 13.4654 k = 0.2041 0.1178-0.0000 ( 3569 PWs) bands (ev): -32.6479 -32.6479 -32.6089 -32.6089 -13.9389 -13.9389 -13.6854 -13.6854 -12.7463 -12.7463 -12.4172 -12.4172 -12.2511 -12.2511 -12.1392 -12.1392 -9.4536 -9.4536 -8.3473 -8.3473 -8.1897 -8.1897 -7.5263 -7.5263 1.5991 1.5991 2.6893 2.6893 3.4813 3.4813 3.7875 3.7875 4.5605 4.5605 4.5921 4.5921 5.0725 5.0725 5.4325 5.4325 5.5700 5.5700 6.0542 6.0542 7.2185 7.2185 7.3860 7.3860 11.9477 11.9477 12.5149 12.5149 12.5265 12.5265 13.0085 13.0085 13.4759 13.4759 k = 0.2143 0.1237-0.0000 ( 3573 PWs) bands (ev): -32.6461 -32.6461 -32.6079 -32.6079 -13.9456 -13.9456 -13.6991 -13.6991 -12.7562 -12.7562 -12.4369 -12.4369 -12.2584 -12.2584 -12.1413 -12.1413 -9.4442 -9.4442 -8.3197 -8.3197 -8.1713 -8.1713 -7.5244 -7.5244 1.5988 1.5988 2.6847 2.6847 3.4514 3.4514 3.7867 3.7867 4.5559 4.5559 4.6117 4.6117 5.1194 5.1194 5.4338 5.4338 5.6003 5.6003 6.0156 6.0156 7.1985 7.1985 7.3763 7.3763 11.9599 11.9599 12.5102 12.5102 12.5413 12.5413 13.0297 13.0297 13.4899 13.4899 k = 0.2245 0.1296-0.0000 ( 3575 PWs) bands (ev): -32.6443 -32.6443 -32.6069 -32.6069 -13.9526 -13.9526 -13.7133 -13.7133 -12.7659 -12.7659 -12.4565 -12.4565 -12.2651 -12.2651 -12.1434 -12.1434 -9.4355 -9.4355 -8.2925 -8.2925 -8.1529 -8.1529 -7.5216 -7.5216 1.5993 1.5993 2.6820 2.6820 3.4204 3.4204 3.7855 3.7855 4.5480 4.5480 4.6349 4.6349 5.1644 5.1644 5.4320 5.4320 5.6317 5.6317 5.9815 5.9815 7.1782 7.1782 7.3663 7.3663 11.9722 11.9722 12.5006 12.5006 12.5575 12.5575 13.0557 13.0557 13.5077 13.5077 k = 0.2347 0.1355-0.0000 ( 3575 PWs) bands (ev): -32.6425 -32.6425 -32.6059 -32.6059 -13.9599 -13.9599 -13.7280 -13.7280 -12.7752 -12.7752 -12.4758 -12.4758 -12.2713 -12.2713 -12.1455 -12.1455 -9.4274 -9.4274 -8.2659 -8.2659 -8.1347 -8.1347 -7.5181 -7.5181 1.6008 1.6008 2.6810 2.6810 3.3885 3.3885 3.7838 3.7838 4.5387 4.5387 4.6594 4.6594 5.2063 5.2063 5.4279 5.4279 5.6642 5.6642 5.9527 5.9527 7.1578 7.1578 7.3561 7.3561 11.9851 11.9851 12.4920 12.4920 12.5680 12.5680 13.0861 13.0861 13.5292 13.5292 k = 0.2449 0.1414-0.0000 ( 3587 PWs) bands (ev): -32.6406 -32.6406 -32.6049 -32.6049 -13.9674 -13.9674 -13.7431 -13.7431 -12.7842 -12.7842 -12.4948 -12.4948 -12.2768 -12.2768 -12.1476 -12.1476 -9.4200 -9.4200 -8.2400 -8.2400 -8.1169 -8.1169 -7.5136 -7.5136 1.6032 1.6032 2.6820 2.6820 3.3560 3.3560 3.7817 3.7817 4.5284 4.5284 4.6846 4.6846 5.2428 5.2428 5.4236 5.4236 5.6976 5.6976 5.9293 5.9293 7.1373 7.1373 7.3456 7.3456 11.9989 11.9989 12.4848 12.4848 12.5723 12.5723 13.1202 13.1202 13.5544 13.5544 k = 0.2551 0.1473-0.0000 ( 3583 PWs) bands (ev): -32.6387 -32.6387 -32.6039 -32.6039 -13.9751 -13.9751 -13.7585 -13.7585 -12.7928 -12.7928 -12.5134 -12.5134 -12.2817 -12.2817 -12.1497 -12.1497 -9.4132 -9.4132 -8.2149 -8.2149 -8.0995 -8.0995 -7.5082 -7.5082 1.6066 1.6066 2.6848 2.6848 3.3229 3.3229 3.7793 3.7793 4.5169 4.5169 4.7102 4.7102 5.2696 5.2696 5.4234 5.4234 5.7317 5.7317 5.9113 5.9113 7.1167 7.1167 7.3351 7.3351 12.0139 12.0139 12.4789 12.4789 12.5707 12.5707 13.1570 13.1570 13.5828 13.5828 k = 0.2653 0.1532-0.0000 ( 3571 PWs) bands (ev): -32.6368 -32.6368 -32.6029 -32.6029 -13.9830 -13.9830 -13.7743 -13.7743 -12.8008 -12.8008 -12.5316 -12.5316 -12.2861 -12.2861 -12.1518 -12.1518 -9.4070 -9.4070 -8.1908 -8.1908 -8.0827 -8.0827 -7.5018 -7.5018 1.6108 1.6108 2.6895 2.6895 3.2896 3.2896 3.7765 3.7765 4.5040 4.5040 4.7361 4.7361 5.2815 5.2815 5.4337 5.4337 5.7663 5.7663 5.8984 5.8984 7.0962 7.0962 7.3245 7.3245 12.0304 12.0304 12.4743 12.4743 12.5641 12.5641 13.1951 13.1951 13.6139 13.6139 k = 0.2755 0.1591-0.0000 ( 3563 PWs) bands (ev): -32.6349 -32.6349 -32.6019 -32.6019 -13.9909 -13.9909 -13.7902 -13.7902 -12.8084 -12.8084 -12.5493 -12.5493 -12.2899 -12.2899 -12.1540 -12.1540 -9.4014 -9.4014 -8.1679 -8.1679 -8.0663 -8.0663 -7.4944 -7.4944 1.6160 1.6160 2.6961 2.6961 3.2562 3.2562 3.7734 3.7734 4.4893 4.4893 4.7621 4.7621 5.2775 5.2775 5.4560 5.4560 5.8013 5.8013 5.8898 5.8898 7.0758 7.0758 7.3139 7.3139 12.0483 12.0483 12.4710 12.4710 12.5532 12.5532 13.2333 13.2333 13.6469 13.6469 k = 0.2857 0.1650-0.0000 ( 3555 PWs) bands (ev): -32.6330 -32.6330 -32.6010 -32.6010 -13.9989 -13.9989 -13.8064 -13.8064 -12.8154 -12.8154 -12.5664 -12.5664 -12.2932 -12.2932 -12.1562 -12.1562 -9.3964 -9.3964 -8.1463 -8.1463 -8.0504 -8.0504 -7.4861 -7.4861 1.6219 1.6219 2.7044 2.7044 3.2228 3.2228 3.7701 3.7701 4.4724 4.4724 4.7882 4.7882 5.2633 5.2633 5.4859 5.4859 5.8364 5.8364 5.8849 5.8849 7.0557 7.0557 7.3033 7.3033 12.0676 12.0676 12.4688 12.4688 12.5391 12.5391 13.2706 13.2706 13.6807 13.6807 k = 0.2959 0.1708-0.0000 ( 3567 PWs) bands (ev): -32.6311 -32.6311 -32.6001 -32.6001 -14.0070 -14.0070 -13.8226 -13.8226 -12.8218 -12.8218 -12.5831 -12.5831 -12.2959 -12.2959 -12.1585 -12.1585 -9.3920 -9.3920 -8.1263 -8.1263 -8.0349 -8.0349 -7.4769 -7.4769 1.6286 1.6286 2.7145 2.7145 3.1898 3.1898 3.7665 3.7665 4.4531 4.4531 4.8143 4.8143 5.2442 5.2442 5.5192 5.5192 5.8698 5.8698 5.8845 5.8845 7.0359 7.0359 7.2928 7.2928 12.0883 12.0883 12.4677 12.4677 12.5224 12.5224 13.3061 13.3061 13.7141 13.7141 k = 0.3061 0.1767-0.0000 ( 3567 PWs) bands (ev): -32.6292 -32.6292 -32.5992 -32.5992 -14.0149 -14.0149 -13.8388 -13.8388 -12.8277 -12.8277 -12.5991 -12.5991 -12.2982 -12.2982 -12.1608 -12.1608 -9.3881 -9.3881 -8.1081 -8.1081 -8.0196 -8.0196 -7.4669 -7.4669 1.6361 1.6361 2.7264 2.7264 3.1572 3.1572 3.7627 3.7627 4.4312 4.4312 4.8401 4.8401 5.2235 5.2235 5.5533 5.5533 5.8801 5.8801 5.9088 5.9088 7.0165 7.0165 7.2825 7.2825 12.1102 12.1102 12.4676 12.4676 12.5040 12.5040 13.3395 13.3395 13.7457 13.7457 k = 0.3163 0.1826-0.0000 ( 3565 PWs) bands (ev): -32.6274 -32.6274 -32.5984 -32.5984 -14.0228 -14.0228 -13.8549 -13.8549 -12.8329 -12.8329 -12.6144 -12.6144 -12.3000 -12.3000 -12.1631 -12.1631 -9.3847 -9.3847 -8.0919 -8.0919 -8.0044 -8.0044 -7.4563 -7.4563 1.6441 1.6441 2.7398 2.7398 3.1252 3.1252 3.7588 3.7588 4.4064 4.4064 4.8656 4.8656 5.2032 5.2032 5.5871 5.5871 5.8818 5.8818 5.9430 5.9430 6.9976 6.9976 7.2723 7.2723 12.1334 12.1334 12.4678 12.4678 12.4850 12.4850 13.3704 13.3704 13.7744 13.7744 k = 0.3265 0.1885-0.0000 ( 3567 PWs) bands (ev): -32.6256 -32.6256 -32.5976 -32.5976 -14.0305 -14.0305 -13.8708 -13.8708 -12.8376 -12.8376 -12.6292 -12.6292 -12.3014 -12.3014 -12.1655 -12.1655 -9.3818 -9.3818 -8.0778 -8.0778 -7.9891 -7.9891 -7.4451 -7.4451 1.6527 1.6527 2.7548 2.7548 3.0941 3.0941 3.7547 3.7547 4.3789 4.3789 4.8907 4.8907 5.1845 5.1845 5.6200 5.6200 5.8839 5.8839 5.9771 5.9771 6.9793 6.9793 7.2624 7.2624 12.1575 12.1575 12.4603 12.4603 12.4738 12.4738 13.3986 13.3986 13.7989 13.7989 k = 0.3367 0.1944-0.0000 ( 3561 PWs) bands (ev): -32.6238 -32.6238 -32.5968 -32.5968 -14.0379 -14.0379 -13.8865 -13.8865 -12.8416 -12.8416 -12.6433 -12.6433 -12.3024 -12.3024 -12.1679 -12.1679 -9.3793 -9.3793 -8.0658 -8.0658 -7.9738 -7.9738 -7.4335 -7.4335 1.6617 1.6617 2.7712 2.7712 3.0640 3.0640 3.7506 3.7506 4.3486 4.3486 4.9152 4.9152 5.1679 5.1679 5.6515 5.6515 5.8867 5.8867 6.0105 6.0105 6.9616 6.9616 7.2527 7.2527 12.1825 12.1825 12.4406 12.4406 12.4751 12.4751 13.4240 13.4240 13.8189 13.8189 k = 0.3469 0.2003-0.0000 ( 3561 PWs) bands (ev): -32.6221 -32.6221 -32.5961 -32.5961 -14.0451 -14.0451 -13.9018 -13.9018 -12.8451 -12.8451 -12.6567 -12.6567 -12.3030 -12.3030 -12.1703 -12.1703 -9.3772 -9.3772 -8.0558 -8.0558 -7.9585 -7.9585 -7.4216 -7.4216 1.6710 1.6710 2.7888 2.7888 3.0351 3.0351 3.7466 3.7466 4.3158 4.3158 4.9390 4.9390 5.1537 5.1537 5.6815 5.6815 5.8897 5.8897 6.0429 6.0429 6.9447 6.9447 7.2433 7.2433 12.2080 12.2080 12.4197 12.4197 12.4783 12.4783 13.4466 13.4466 13.8341 13.8341 k = 0.3571 0.2062-0.0000 ( 3555 PWs) bands (ev): -32.6204 -32.6204 -32.5955 -32.5955 -14.0519 -14.0519 -13.9168 -13.9168 -12.8481 -12.8481 -12.6695 -12.6695 -12.3033 -12.3033 -12.1727 -12.1727 -9.3755 -9.3755 -8.0476 -8.0476 -7.9434 -7.9434 -7.4098 -7.4098 1.6805 1.6805 2.8075 2.8075 3.0075 3.0075 3.7425 3.7425 4.2810 4.2810 4.9619 4.9619 5.1420 5.1420 5.7098 5.7098 5.8930 5.8930 6.0741 6.0741 6.9286 6.9286 7.2342 7.2342 12.2339 12.2339 12.3989 12.3989 12.4823 12.4823 13.4665 13.4665 13.8450 13.8450 k = 0.3673 0.2121-0.0000 ( 3553 PWs) bands (ev): -32.6188 -32.6188 -32.5949 -32.5949 -14.0584 -14.0584 -13.9312 -13.9312 -12.8505 -12.8505 -12.6816 -12.6816 -12.3033 -12.3033 -12.1751 -12.1751 -9.3740 -9.3740 -8.0409 -8.0409 -7.9287 -7.9287 -7.3980 -7.3980 1.6901 1.6901 2.8270 2.8270 2.9816 2.9816 3.7385 3.7385 4.2444 4.2444 4.9839 4.9839 5.1327 5.1327 5.7363 5.7363 5.8963 5.8963 6.1040 6.1040 6.9135 6.9135 7.2255 7.2255 12.2598 12.2598 12.3785 12.3785 12.4868 12.4868 13.4838 13.4838 13.8520 13.8520 k = 0.3776 0.2180-0.0000 ( 3561 PWs) bands (ev): -32.6173 -32.6173 -32.5943 -32.5943 -14.0644 -14.0644 -13.9450 -13.9450 -12.8524 -12.8524 -12.6930 -12.6930 -12.3030 -12.3030 -12.1775 -12.1775 -9.3728 -9.3728 -8.0355 -8.0355 -7.9145 -7.9145 -7.3864 -7.3864 1.6997 1.6997 2.8466 2.8466 2.9579 2.9579 3.7347 3.7347 4.2068 4.2068 5.0048 5.0048 5.1257 5.1257 5.7610 5.7610 5.8996 5.8996 6.1322 6.1322 6.8993 6.8993 7.2172 7.2172 12.2856 12.2856 12.3589 12.3589 12.4917 12.4917 13.4986 13.4986 13.8557 13.8557 k = 0.3878 0.2239-0.0000 ( 3568 PWs) bands (ev): -32.6158 -32.6158 -32.5938 -32.5938 -14.0699 -14.0699 -13.9583 -13.9583 -12.8539 -12.8539 -12.7037 -12.7037 -12.3025 -12.3025 -12.1798 -12.1798 -9.3719 -9.3719 -8.0313 -8.0313 -7.9010 -7.9010 -7.3752 -7.3752 1.7091 1.7091 2.8649 2.8649 2.9377 2.9377 3.7310 3.7310 4.1685 4.1685 5.0243 5.0243 5.1206 5.1206 5.7839 5.7839 5.9027 5.9027 6.1587 6.1587 6.8863 6.8863 7.2093 7.2093 12.3108 12.3108 12.3403 12.3403 12.4969 12.4969 13.5110 13.5110 13.8569 13.8569 k = 0.3980 0.2298-0.0000 ( 3566 PWs) bands (ev): -32.6144 -32.6144 -32.5934 -32.5934 -14.0749 -14.0749 -13.9707 -13.9707 -12.8550 -12.8550 -12.7136 -12.7136 -12.3018 -12.3018 -12.1821 -12.1821 -9.3711 -9.3711 -8.0279 -8.0279 -7.8884 -7.8884 -7.3646 -7.3646 1.7183 1.7183 2.8771 2.8771 2.9258 2.9258 3.7275 3.7275 4.1301 4.1301 5.0423 5.0423 5.1174 5.1174 5.8048 5.8048 5.9056 5.9056 6.1832 6.1832 6.8744 6.8744 7.2019 7.2019 12.3223 12.3223 12.3358 12.3358 12.5021 12.5021 13.5214 13.5214 13.8560 13.8560 k = 0.4082 0.2357-0.0000 ( 3560 PWs) bands (ev): -32.6131 -32.6131 -32.5930 -32.5930 -14.0794 -14.0794 -13.9824 -13.9824 -12.8556 -12.8556 -12.7229 -12.7229 -12.3010 -12.3010 -12.1843 -12.1843 -9.3706 -9.3706 -8.0252 -8.0252 -7.8767 -7.8767 -7.3546 -7.3546 1.7270 1.7270 2.8740 2.8740 2.9311 2.9311 3.7242 3.7242 4.0924 4.0924 5.0585 5.0585 5.1160 5.1160 5.8239 5.8239 5.9083 5.9083 6.2056 6.2056 6.8636 6.8636 7.1950 7.1950 12.3064 12.3064 12.3590 12.3590 12.5073 12.5073 13.5299 13.5299 13.8535 13.8535 k = 0.4184 0.2415-0.0000 ( 3558 PWs) bands (ev): -32.6120 -32.6120 -32.5927 -32.5927 -14.0833 -14.0833 -13.9932 -13.9932 -12.8559 -12.8559 -12.7313 -12.7313 -12.3001 -12.3001 -12.1864 -12.1864 -9.3702 -9.3702 -8.0232 -8.0232 -7.8660 -7.8660 -7.3454 -7.3454 1.7352 1.7352 2.8612 2.8612 2.9477 2.9477 3.7212 3.7212 4.0558 4.0558 5.0725 5.0725 5.1163 5.1163 5.8410 5.8410 5.9108 5.9108 6.2258 6.2258 6.8540 6.8540 7.1887 7.1887 12.2916 12.2916 12.3810 12.3810 12.5124 12.5124 13.5367 13.5367 13.8499 13.8499 k = 0.4286 0.2474-0.0000 ( 3560 PWs) bands (ev): -32.6109 -32.6109 -32.5924 -32.5924 -14.0866 -14.0866 -14.0031 -14.0031 -12.8560 -12.8560 -12.7390 -12.7390 -12.2991 -12.2991 -12.1884 -12.1884 -9.3698 -9.3698 -8.0216 -8.0216 -7.8565 -7.8565 -7.3370 -7.3370 1.7427 1.7427 2.8470 2.8470 2.9671 2.9671 3.7185 3.7185 4.0211 4.0211 5.0835 5.0835 5.1187 5.1187 5.8562 5.8562 5.9130 5.9130 6.2438 6.2438 6.8457 6.8457 7.1830 7.1830 12.2783 12.2783 12.4013 12.4013 12.5172 12.5172 13.5421 13.5421 13.8454 13.8454 k = 0.4388 0.2533-0.0000 ( 3562 PWs) bands (ev): -32.6100 -32.6100 -32.5922 -32.5922 -14.0894 -14.0894 -14.0119 -14.0119 -12.8558 -12.8558 -12.7458 -12.7458 -12.2981 -12.2981 -12.1902 -12.1902 -9.3696 -9.3696 -8.0204 -8.0204 -7.8481 -7.8481 -7.3296 -7.3296 1.7495 1.7495 2.8338 2.8338 2.9864 2.9864 3.7161 3.7161 3.9888 3.9888 5.0912 5.0912 5.1233 5.1233 5.8694 5.8694 5.9148 5.9148 6.2593 6.2593 6.8386 6.8386 7.1779 7.1779 12.2667 12.2667 12.4195 12.4195 12.5217 12.5217 13.5463 13.5463 13.8406 13.8406 k = 0.4490 0.2592-0.0000 ( 3562 PWs) bands (ev): -32.6091 -32.6091 -32.5920 -32.5920 -14.0916 -14.0916 -14.0197 -14.0197 -12.8554 -12.8554 -12.7517 -12.7517 -12.2972 -12.2972 -12.1918 -12.1918 -9.3695 -9.3695 -8.0196 -8.0196 -7.8410 -7.8410 -7.3232 -7.3232 1.7554 1.7554 2.8221 2.8221 3.0045 3.0045 3.7140 3.7140 3.9598 3.9598 5.0959 5.0959 5.1294 5.1294 5.8809 5.8809 5.9162 5.9162 6.2725 6.2725 6.8327 6.8327 7.1736 7.1736 12.2567 12.2567 12.4356 12.4356 12.5256 12.5256 13.5496 13.5496 13.8358 13.8358 k = 0.4592 0.2651-0.0000 ( 3554 PWs) bands (ev): -32.6085 -32.6085 -32.5918 -32.5918 -14.0932 -14.0932 -14.0262 -14.0262 -12.8550 -12.8550 -12.7567 -12.7567 -12.2964 -12.2964 -12.1932 -12.1932 -9.3694 -9.3694 -8.0189 -8.0189 -7.8351 -7.8351 -7.3179 -7.3179 1.7604 1.7604 2.8124 2.8124 3.0207 3.0207 3.7123 3.7123 3.9347 3.9347 5.0988 5.0988 5.1357 5.1357 5.8904 5.8904 5.9171 5.9171 6.2833 6.2833 6.8280 6.8280 7.1699 7.1699 12.2485 12.2485 12.4490 12.4490 12.5290 12.5290 13.5520 13.5520 13.8313 13.8313 k = 0.4694 0.2710-0.0000 ( 3554 PWs) bands (ev): -32.6079 -32.6079 -32.5917 -32.5917 -14.0944 -14.0944 -14.0314 -14.0314 -12.8545 -12.8545 -12.7607 -12.7607 -12.2957 -12.2957 -12.1943 -12.1943 -9.3693 -9.3693 -8.0185 -8.0185 -7.8305 -7.8305 -7.3138 -7.3138 1.7643 1.7643 2.8048 2.8048 3.0342 3.0342 3.7109 3.7109 3.9142 3.9142 5.1005 5.1005 5.1413 5.1413 5.8982 5.8982 5.9176 5.9176 6.2916 6.2916 6.8243 6.8243 7.1670 7.1670 12.2420 12.2420 12.4597 12.4597 12.5318 12.5318 13.5538 13.5538 13.8275 13.8275 k = 0.4796 0.2769-0.0000 ( 3554 PWs) bands (ev): -32.6075 -32.6075 -32.5917 -32.5917 -14.0952 -14.0952 -14.0352 -14.0352 -12.8541 -12.8541 -12.7636 -12.7636 -12.2952 -12.2952 -12.1951 -12.1951 -9.3693 -9.3693 -8.0182 -8.0182 -7.8272 -7.8272 -7.3107 -7.3107 1.7672 1.7672 2.7992 2.7992 3.0444 3.0444 3.7100 3.7100 3.8990 3.8990 5.1016 5.1016 5.1456 5.1456 5.9042 5.9042 5.9175 5.9175 6.2975 6.2975 6.8218 6.8218 7.1650 7.1650 12.2374 12.2374 12.4675 12.4675 12.5338 12.5338 13.5550 13.5550 13.8245 13.8245 k = 0.4898 0.2828-0.0000 ( 3550 PWs) bands (ev): -32.6073 -32.6073 -32.5916 -32.5916 -14.0957 -14.0957 -14.0375 -14.0375 -12.8539 -12.8539 -12.7654 -12.7654 -12.2949 -12.2949 -12.1956 -12.1956 -9.3693 -9.3693 -8.0181 -8.0181 -7.8252 -7.8252 -7.3089 -7.3089 1.7690 1.7690 2.7959 2.7959 3.0507 3.0507 3.7094 3.7094 3.8896 3.8896 5.1022 5.1022 5.1482 5.1482 5.9083 5.9083 5.9169 5.9169 6.3011 6.3011 6.8203 6.8203 7.1637 7.1637 12.2346 12.2346 12.4722 12.4722 12.5350 12.5350 13.5557 13.5557 13.8226 13.8226 k = 0.5000 0.2887-0.0000 ( 3554 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0958 -14.0958 -14.0383 -14.0383 -12.8538 -12.8538 -12.7659 -12.7659 -12.2948 -12.2948 -12.1958 -12.1958 -9.3693 -9.3693 -8.0180 -8.0180 -7.8245 -7.8245 -7.3083 -7.3083 1.7695 1.7695 2.7948 2.7948 3.0528 3.0528 3.7092 3.7092 3.8864 3.8864 5.1024 5.1024 5.1491 5.1491 5.9100 5.9100 5.9164 5.9164 6.3023 6.3023 6.8198 6.8198 7.1633 7.1633 12.2337 12.2337 12.4738 12.4738 12.5354 12.5354 13.5559 13.5559 13.8220 13.8220 k = 0.5000 0.2887-0.0000 ( 3554 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0958 -14.0958 -14.0383 -14.0383 -12.8538 -12.8538 -12.7659 -12.7659 -12.2948 -12.2948 -12.1958 -12.1958 -9.3693 -9.3693 -8.0180 -8.0180 -7.8245 -7.8245 -7.3083 -7.3083 1.7695 1.7695 2.7948 2.7948 3.0528 3.0528 3.7092 3.7092 3.8864 3.8864 5.1024 5.1024 5.1491 5.1491 5.9100 5.9100 5.9164 5.9164 6.3023 6.3023 6.8198 6.8198 7.1633 7.1633 12.2337 12.2337 12.4738 12.4738 12.5354 12.5354 13.5559 13.5559 13.8220 13.8220 k = 0.4943 0.2986-0.0000 ( 3552 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0967 -14.0967 -14.0372 -14.0372 -12.8558 -12.8558 -12.7643 -12.7643 -12.2951 -12.2951 -12.1961 -12.1961 -9.3691 -9.3691 -8.0174 -8.0174 -7.8241 -7.8241 -7.3086 -7.3086 1.7697 1.7697 2.7952 2.7952 3.0531 3.0531 3.7081 3.7081 3.8875 3.8875 5.1022 5.1022 5.1482 5.1482 5.9078 5.9078 5.9168 5.9168 6.3034 6.3034 6.8206 6.8206 7.1630 7.1630 12.2311 12.2311 12.4741 12.4741 12.5354 12.5354 13.5534 13.5535 13.8204 13.8204 k = 0.4885 0.3086-0.0000 ( 3552 PWs) bands (ev): -32.6071 -32.6071 -32.5916 -32.5916 -14.0993 -14.0993 -14.0339 -14.0339 -12.8615 -12.8615 -12.7598 -12.7598 -12.2962 -12.2962 -12.1972 -12.1972 -9.3685 -9.3685 -8.0154 -8.0154 -7.8227 -7.8227 -7.3096 -7.3096 1.7701 1.7701 2.7966 2.7966 3.0538 3.0538 3.7050 3.7050 3.8906 3.8906 5.1014 5.1014 5.1456 5.1456 5.9017 5.9017 5.9180 5.9180 6.3067 6.3067 6.8231 6.8231 7.1620 7.1620 12.2235 12.2235 12.4750 12.4750 12.5354 12.5354 13.5470 13.5470 13.8156 13.8156 k = 0.4828 0.3185-0.0000 ( 3556 PWs) bands (ev): -32.6070 -32.6070 -32.5916 -32.5916 -14.1030 -14.1030 -14.0289 -14.0289 -12.8699 -12.8699 -12.7532 -12.7532 -12.2981 -12.2981 -12.1991 -12.1991 -9.3676 -9.3676 -8.0122 -8.0122 -7.8206 -7.8206 -7.3112 -7.3112 1.7708 1.7708 2.7988 2.7988 3.0551 3.0551 3.6997 3.6997 3.8958 3.8958 5.0999 5.0999 5.1413 5.1413 5.8919 5.8919 5.9198 5.9198 6.3121 6.3121 6.8271 6.8271 7.1604 7.1604 12.2110 12.2110 12.4764 12.4764 12.5355 12.5355 13.5384 13.5384 13.8075 13.8075 k = 0.4770 0.3285-0.0000 ( 3552 PWs) bands (ev): -32.6068 -32.6068 -32.5915 -32.5915 -14.1075 -14.1075 -14.0227 -14.0227 -12.8805 -12.8805 -12.7454 -12.7454 -12.3006 -12.3006 -12.2016 -12.2016 -9.3664 -9.3664 -8.0078 -8.0078 -7.8175 -7.8175 -7.3134 -7.3134 1.7718 1.7718 2.8020 2.8020 3.0568 3.0568 3.6924 3.6924 3.9031 3.9031 5.0975 5.0975 5.1355 5.1355 5.8791 5.8791 5.9220 5.9220 6.3192 6.3192 6.8326 6.8326 7.1582 7.1582 12.1937 12.1937 12.4784 12.4784 12.5355 12.5355 13.5302 13.5302 13.7961 13.7961 k = 0.4713 0.3384-0.0000 ( 3550 PWs) bands (ev): -32.6066 -32.6066 -32.5915 -32.5915 -14.1124 -14.1124 -14.0157 -14.0157 -12.8924 -12.8924 -12.7367 -12.7367 -12.3039 -12.3039 -12.2048 -12.2048 -9.3649 -9.3649 -8.0022 -8.0022 -7.8136 -7.8136 -7.3162 -7.3162 1.7731 1.7731 2.8060 2.8060 3.0590 3.0590 3.6831 3.6831 3.9124 3.9124 5.0940 5.0940 5.1286 5.1286 5.8638 5.8638 5.9247 5.9247 6.3279 6.3279 6.8392 6.8392 7.1553 7.1553 12.1720 12.1720 12.4810 12.4810 12.5355 12.5355 13.5241 13.5241 13.7815 13.7815 k = 0.4655 0.3484-0.0000 ( 3550 PWs) bands (ev): -32.6063 -32.6063 -32.5914 -32.5914 -14.1175 -14.1175 -14.0080 -14.0080 -12.9055 -12.9055 -12.7277 -12.7277 -12.3078 -12.3078 -12.2086 -12.2086 -9.3630 -9.3630 -7.9956 -7.9956 -7.8089 -7.8089 -7.3197 -7.3197 1.7746 1.7746 2.8109 2.8109 3.0617 3.0617 3.6718 3.6718 3.9238 3.9238 5.0888 5.0888 5.1208 5.1208 5.8466 5.8466 5.9277 5.9277 6.3378 6.3378 6.8470 6.8470 7.1519 7.1519 12.1463 12.1463 12.4840 12.4840 12.5355 12.5355 13.5216 13.5216 13.7639 13.7639 k = 0.4598 0.3584-0.0000 ( 3542 PWs) bands (ev): -32.6060 -32.6060 -32.5914 -32.5914 -14.1227 -14.1227 -13.9998 -13.9998 -12.9195 -12.9195 -12.7184 -12.7184 -12.3123 -12.3123 -12.2128 -12.2128 -9.3609 -9.3609 -7.9879 -7.9879 -7.8034 -7.8034 -7.3237 -7.3237 1.7764 1.7764 2.8167 2.8167 3.0650 3.0650 3.6586 3.6586 3.9373 3.9373 5.0815 5.0815 5.1124 5.1124 5.8282 5.8282 5.9309 5.9309 6.3488 6.3488 6.8555 6.8555 7.1480 7.1480 12.1170 12.1170 12.4875 12.4875 12.5355 12.5355 13.5234 13.5234 13.7435 13.7435 k = 0.4540 0.3683-0.0000 ( 3550 PWs) bands (ev): -32.6057 -32.6057 -32.5913 -32.5913 -14.1278 -14.1278 -13.9913 -13.9913 -12.9341 -12.9341 -12.7090 -12.7090 -12.3175 -12.3175 -12.2176 -12.2176 -9.3586 -9.3586 -7.9793 -7.9793 -7.7971 -7.7971 -7.3283 -7.3283 1.7784 1.7784 2.8234 2.8234 3.0687 3.0687 3.6437 3.6437 3.9527 3.9527 5.0718 5.0718 5.1036 5.1036 5.8093 5.8093 5.9340 5.9340 6.3606 6.3606 6.8646 6.8646 7.1436 7.1436 12.0847 12.0847 12.4914 12.4914 12.5356 12.5356 13.5300 13.5300 13.7207 13.7207 k = 0.4483 0.3783-0.0000 ( 3558 PWs) bands (ev): -32.6053 -32.6053 -32.5913 -32.5913 -14.1329 -14.1329 -13.9825 -13.9825 -12.9493 -12.9493 -12.6995 -12.6995 -12.3233 -12.3233 -12.2228 -12.2228 -9.3561 -9.3561 -7.9699 -7.9699 -7.7900 -7.7900 -7.3335 -7.3335 1.7807 1.7807 2.8310 2.8310 3.0728 3.0728 3.6270 3.6270 3.9701 3.9701 5.0600 5.0600 5.0942 5.0942 5.7907 5.7907 5.9370 5.9370 6.3731 6.3731 6.8741 6.8741 7.1387 7.1387 12.0501 12.0501 12.4957 12.4957 12.5356 12.5356 13.5414 13.5414 13.6957 13.6957 k = 0.4425 0.3882-0.0000 ( 3566 PWs) bands (ev): -32.6048 -32.6048 -32.5912 -32.5912 -14.1378 -14.1378 -13.9735 -13.9735 -12.9649 -12.9649 -12.6901 -12.6901 -12.3297 -12.3297 -12.2282 -12.2282 -9.3535 -9.3535 -7.9598 -7.9598 -7.7823 -7.7823 -7.3392 -7.3392 1.7832 1.7832 2.8394 2.8394 3.0775 3.0775 3.6088 3.6088 3.9894 3.9894 5.0462 5.0462 5.0835 5.0835 5.7730 5.7730 5.9397 5.9397 6.3861 6.3861 6.8838 6.8838 7.1334 7.1334 12.0138 12.0138 12.5003 12.5003 12.5356 12.5356 13.5572 13.5572 13.6691 13.6691 k = 0.4368 0.3982-0.0000 ( 3566 PWs) bands (ev): -32.6044 -32.6044 -32.5912 -32.5912 -14.1426 -14.1426 -13.9644 -13.9644 -12.9808 -12.9808 -12.6806 -12.6806 -12.3366 -12.3366 -12.2338 -12.2338 -9.3508 -9.3508 -7.9492 -7.9492 -7.7738 -7.7738 -7.3455 -7.3455 1.7860 1.7860 2.8488 2.8488 3.0826 3.0826 3.5891 3.5891 4.0106 4.0106 5.0310 5.0310 5.0710 5.0710 5.7567 5.7567 5.9420 5.9420 6.3997 6.3997 6.8935 6.8935 7.1278 7.1278 11.9763 11.9763 12.5053 12.5053 12.5358 12.5358 13.5768 13.5768 13.6415 13.6415 k = 0.4310 0.4081-0.0000 ( 3568 PWs) bands (ev): -32.6039 -32.6039 -32.5911 -32.5911 -14.1472 -14.1472 -13.9552 -13.9552 -12.9970 -12.9970 -12.6712 -12.6712 -12.3441 -12.3441 -12.2395 -12.2395 -9.3480 -9.3480 -7.9381 -7.9381 -7.7647 -7.7647 -7.3522 -7.3522 1.7889 1.7889 2.8589 2.8589 3.0882 3.0882 3.5680 3.5680 4.0337 4.0337 5.0146 5.0146 5.0563 5.0563 5.7425 5.7425 5.9436 5.9436 6.4135 6.4135 6.9030 6.9030 7.1218 7.1218 11.9383 11.9383 12.5104 12.5104 12.5360 12.5360 13.5940 13.5940 13.6190 13.6190 k = 0.4253 0.4181-0.0000 ( 3562 PWs) bands (ev): -32.6033 -32.6033 -32.5911 -32.5911 -14.1516 -14.1516 -13.9460 -13.9460 -13.0132 -13.0132 -12.6617 -12.6617 -12.3520 -12.3520 -12.2451 -12.2451 -9.3452 -9.3452 -7.9268 -7.9268 -7.7550 -7.7550 -7.3594 -7.3594 1.7920 1.7920 2.8699 2.8699 3.0941 3.0941 3.5456 3.5456 4.0585 4.0585 4.9972 4.9972 5.0392 5.0392 5.7308 5.7308 5.9446 5.9446 6.4276 6.4276 6.9123 6.9123 7.1156 7.1156 11.9003 11.9003 12.5156 12.5156 12.5364 12.5364 13.5757 13.5757 13.6345 13.6345 k = 0.4195 0.4280-0.0000 ( 3562 PWs) bands (ev): -32.6028 -32.6028 -32.5911 -32.5911 -14.1559 -14.1559 -13.9369 -13.9369 -13.0295 -13.0295 -12.6523 -12.6523 -12.3605 -12.3605 -12.2507 -12.2507 -9.3424 -9.3424 -7.9153 -7.9153 -7.7447 -7.7447 -7.3669 -7.3669 1.7952 1.7952 2.8817 2.8817 3.1005 3.1005 3.5222 3.5222 4.0850 4.0850 4.9791 4.9791 5.0194 5.0194 5.7218 5.7218 5.9446 5.9446 6.4417 6.4417 6.9212 6.9212 7.1091 7.1091 11.8629 11.8629 12.5208 12.5208 12.5372 12.5372 13.5456 13.5456 13.6642 13.6642 k = 0.4138 0.4380-0.0000 ( 3570 PWs) bands (ev): -32.6022 -32.6022 -32.5911 -32.5911 -14.1600 -14.1600 -13.9279 -13.9279 -13.0457 -13.0457 -12.6428 -12.6428 -12.3694 -12.3694 -12.2561 -12.2561 -9.3396 -9.3396 -7.9039 -7.9039 -7.7339 -7.7339 -7.3749 -7.3749 1.7986 1.7986 2.8944 2.8944 3.1072 3.1072 3.4978 3.4978 4.1131 4.1131 4.9602 4.9602 4.9972 4.9972 5.7157 5.7157 5.9438 5.9438 6.4559 6.4559 6.9297 6.9297 7.1025 7.1025 11.8263 11.8263 12.5257 12.5257 12.5384 12.5384 13.5144 13.5144 13.6973 13.6973 k = 0.4080 0.4479-0.0000 ( 3566 PWs) bands (ev): -32.6016 -32.6016 -32.5911 -32.5911 -14.1638 -14.1638 -13.9191 -13.9191 -13.0615 -13.0615 -12.6334 -12.6334 -12.3787 -12.3787 -12.2613 -12.2613 -9.3370 -9.3370 -7.8926 -7.8926 -7.7227 -7.7227 -7.3832 -7.3832 1.8021 1.8021 2.9078 2.9078 3.1143 3.1143 3.4726 3.4726 4.1428 4.1428 4.9406 4.9406 4.9729 4.9729 5.7126 5.7126 5.9420 5.9420 6.4700 6.4700 6.9377 6.9377 7.0957 7.0957 11.7911 11.7911 12.5300 12.5300 12.5407 12.5407 13.4829 13.4829 13.7327 13.7327 k = 0.4023 0.4579-0.0000 ( 3568 PWs) bands (ev): -32.6010 -32.6010 -32.5911 -32.5911 -14.1675 -14.1675 -13.9106 -13.9106 -13.0770 -13.0770 -12.6240 -12.6240 -12.3883 -12.3883 -12.2662 -12.2662 -9.3344 -9.3344 -7.8816 -7.8816 -7.7112 -7.7112 -7.3917 -7.3917 1.8055 1.8055 2.9220 2.9220 3.1215 3.1215 3.4468 3.4468 4.1738 4.1738 4.9198 4.9198 4.9471 4.9471 5.7123 5.7123 5.9392 5.9392 6.4839 6.4839 6.9451 6.9451 7.0889 7.0889 11.7575 11.7575 12.5331 12.5331 12.5442 12.5442 13.4517 13.4517 13.7696 13.7696 k = 0.3966 0.4679-0.0000 ( 3564 PWs) bands (ev): -32.6004 -32.6004 -32.5911 -32.5911 -14.1709 -14.1709 -13.9024 -13.9024 -13.0920 -13.0920 -12.6145 -12.6145 -12.3983 -12.3983 -12.2707 -12.2707 -9.3320 -9.3320 -7.8710 -7.8710 -7.6994 -7.6994 -7.4005 -7.4005 1.8091 1.8091 2.9370 2.9370 3.1290 3.1290 3.4204 3.4204 4.2062 4.2062 4.8969 4.8969 4.9215 4.9215 5.7147 5.7147 5.9352 5.9352 6.4975 6.4975 6.9521 6.9521 7.0820 7.0820 11.7259 11.7259 12.5355 12.5355 12.5488 12.5488 13.4212 13.4212 13.8076 13.8076 k = 0.3908 0.4778-0.0000 ( 3562 PWs) bands (ev): -32.5997 -32.5997 -32.5912 -32.5912 -14.1741 -14.1741 -13.8946 -13.8946 -13.1063 -13.1063 -12.6051 -12.6051 -12.4085 -12.4085 -12.2749 -12.2749 -9.3298 -9.3298 -7.8610 -7.8610 -7.6874 -7.6874 -7.4093 -7.4093 1.8125 1.8125 2.9526 2.9526 3.1366 3.1366 3.3937 3.3937 4.2396 4.2396 4.8705 4.8705 4.8978 4.8978 5.7194 5.7194 5.9303 5.9303 6.5106 6.5106 6.9586 6.9586 7.0750 7.0750 11.6964 11.6964 12.5375 12.5375 12.5539 12.5539 13.3915 13.3915 13.8461 13.8461 k = 0.3851 0.4878-0.0000 ( 3546 PWs) bands (ev): -32.5991 -32.5991 -32.5912 -32.5912 -14.1771 -14.1771 -13.8874 -13.8874 -13.1197 -13.1197 -12.5956 -12.5956 -12.4188 -12.4188 -12.2787 -12.2787 -9.3277 -9.3277 -7.8516 -7.8516 -7.6755 -7.6755 -7.4182 -7.4182 1.8159 1.8159 2.9690 2.9690 3.1442 3.1442 3.3668 3.3668 4.2741 4.2741 4.8407 4.8407 4.8765 4.8765 5.7263 5.7263 5.9243 5.9243 6.5231 6.5231 6.9646 6.9646 7.0681 7.0681 11.6693 11.6693 12.5396 12.5396 12.5590 12.5590 13.3632 13.3632 13.8848 13.8848 k = 0.3793 0.4977-0.0000 ( 3550 PWs) bands (ev): -32.5984 -32.5984 -32.5914 -32.5914 -14.1799 -14.1799 -13.8807 -13.8807 -13.1322 -13.1322 -12.5862 -12.5862 -12.4293 -12.4293 -12.2821 -12.2821 -9.3258 -9.3258 -7.8430 -7.8430 -7.6637 -7.6637 -7.4270 -7.4270 1.8192 1.8192 2.9860 2.9860 3.1516 3.1516 3.3399 3.3399 4.3093 4.3093 4.8089 4.8089 4.8569 4.8569 5.7349 5.7349 5.9172 5.9172 6.5348 6.5348 6.9701 6.9701 7.0612 7.0612 11.6447 11.6447 12.5419 12.5419 12.5639 12.5639 13.3365 13.3365 13.9231 13.9231 k = 0.3736 0.5077-0.0000 ( 3548 PWs) bands (ev): -32.5978 -32.5978 -32.5915 -32.5915 -14.1824 -14.1824 -13.8747 -13.8747 -13.1436 -13.1436 -12.5768 -12.5768 -12.4398 -12.4398 -12.2851 -12.2851 -9.3242 -9.3242 -7.8351 -7.8351 -7.6522 -7.6522 -7.4356 -7.4356 1.8223 1.8223 3.0037 3.0037 3.1589 3.1589 3.3132 3.3132 4.3450 4.3450 4.7762 4.7762 4.8383 4.8383 5.7450 5.7450 5.9093 5.9093 6.5457 6.5457 6.9754 6.9754 7.0543 7.0543 11.6227 11.6227 12.5446 12.5446 12.5684 12.5684 13.3117 13.3117 13.9607 13.9607 k = 0.3678 0.5176-0.0000 ( 3552 PWs) bands (ev): -32.5972 -32.5972 -32.5917 -32.5917 -14.1846 -14.1846 -13.8694 -13.8694 -13.1537 -13.1537 -12.5673 -12.5673 -12.4502 -12.4502 -12.2877 -12.2877 -9.3228 -9.3228 -7.8282 -7.8282 -7.6413 -7.6413 -7.4439 -7.4439 1.8252 1.8252 3.0219 3.0219 3.1657 3.1657 3.2867 3.2867 4.3810 4.3810 4.7433 4.7433 4.8208 4.8208 5.7562 5.7562 5.9004 5.9004 6.5556 6.5556 6.9803 6.9803 7.0476 7.0476 11.6035 11.6035 12.5475 12.5475 12.5724 12.5724 13.2891 13.2891 13.9970 13.9970 k = 0.3621 0.5276-0.0000 ( 3552 PWs) bands (ev): -32.5966 -32.5966 -32.5919 -32.5919 -14.1865 -14.1865 -13.8649 -13.8649 -13.1625 -13.1625 -12.5579 -12.5579 -12.4606 -12.4606 -12.2898 -12.2898 -9.3216 -9.3216 -7.8223 -7.8223 -7.6312 -7.6312 -7.4515 -7.4515 1.8278 1.8278 3.0407 3.0407 3.1720 3.1720 3.2607 3.2607 4.4170 4.4170 4.7110 4.7110 4.8043 4.8043 5.7682 5.7682 5.8908 5.8908 6.5643 6.5643 6.9851 6.9851 7.0409 7.0409 11.5871 11.5871 12.5508 12.5508 12.5756 12.5756 13.2692 13.2692 14.0318 14.0319 k = 0.3563 0.5375-0.0000 ( 3556 PWs) bands (ev): -32.5959 -32.5959 -32.5922 -32.5922 -14.1881 -14.1881 -13.8612 -13.8612 -13.1698 -13.1698 -12.5486 -12.5486 -12.4708 -12.4708 -12.2916 -12.2916 -9.3206 -9.3206 -7.8173 -7.8173 -7.6222 -7.6222 -7.4583 -7.4583 1.8300 1.8300 3.0600 3.0600 3.1776 3.1776 3.2353 3.2353 4.4524 4.4524 4.6797 4.6797 4.7890 4.7890 5.7808 5.7808 5.8806 5.8806 6.5717 6.5717 6.9899 6.9899 7.0344 7.0344 11.5736 11.5736 12.5545 12.5545 12.5778 12.5778 13.2522 13.2522 14.0647 14.0647 k = 0.3506 0.5475-0.0000 ( 3550 PWs) bands (ev): -32.5954 -32.5954 -32.5925 -32.5925 -14.1894 -14.1894 -13.8584 -13.8584 -13.1755 -13.1755 -12.5394 -12.5394 -12.4807 -12.4807 -12.2930 -12.2930 -9.3198 -9.3198 -7.8134 -7.8134 -7.6148 -7.6148 -7.4640 -7.4640 1.8318 1.8318 3.0798 3.0798 3.1821 3.1821 3.2108 3.2108 4.4868 4.4868 4.6500 4.6500 4.7754 4.7754 5.7935 5.7935 5.8699 5.8699 6.5776 6.5776 6.9946 6.9946 7.0280 7.0280 11.5630 11.5630 12.5583 12.5583 12.5790 12.5790 13.2385 13.2385 14.0951 14.0951 k = 0.3448 0.5574-0.0000 ( 3546 PWs) bands (ev): -32.5948 -32.5948 -32.5929 -32.5929 -14.1904 -14.1904 -13.8564 -13.8564 -13.1796 -13.1796 -12.5304 -12.5304 -12.4902 -12.4902 -12.2940 -12.2940 -9.3193 -9.3193 -7.8106 -7.8106 -7.6091 -7.6091 -7.4683 -7.4683 1.8332 1.8332 3.1001 3.1001 3.1828 3.1828 3.1899 3.1899 4.5192 4.5192 4.6222 4.6222 4.7641 4.7641 5.8060 5.8060 5.8590 5.8590 6.5820 6.5820 6.9995 6.9995 7.0219 7.0219 11.5554 11.5554 12.5623 12.5623 12.5789 12.5789 13.2284 13.2284 14.1227 14.1227 k = 0.3391 0.5674-0.0000 ( 3546 PWs) bands (ev): -32.5943 -32.5943 -32.5933 -32.5933 -14.1910 -14.1910 -13.8552 -13.8552 -13.1821 -13.1821 -12.5223 -12.5223 -12.4987 -12.4987 -12.2946 -12.2946 -9.3190 -9.3190 -7.8089 -7.8089 -7.6057 -7.6057 -7.4709 -7.4709 1.8341 1.8341 3.1207 3.1207 3.1631 3.1631 3.1890 3.1890 4.5481 4.5481 4.5971 4.5971 4.7561 4.7561 5.8174 5.8174 5.8486 5.8486 6.5847 6.5847 7.0045 7.0045 7.0160 7.0160 11.5508 11.5508 12.5661 12.5661 12.5777 12.5777 13.2222 13.2222 14.1466 14.1466 k = 0.3333 0.5774-0.0000 ( 3546 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1912 -14.1912 -13.8548 -13.8548 -13.1829 -13.1829 -12.5177 -12.5177 -12.5034 -12.5034 -12.2948 -12.2948 -9.3189 -9.3189 -7.8084 -7.8084 -7.6045 -7.6045 -7.4718 -7.4718 1.8344 1.8344 3.1416 3.1416 3.1416 3.1416 3.1897 3.1897 4.5669 4.5669 4.5799 4.5799 4.7530 4.7530 5.8235 5.8235 5.8429 5.8429 6.5856 6.5856 7.0089 7.0089 7.0113 7.0113 11.5493 11.5493 12.5681 12.5681 12.5765 12.5765 13.2201 13.2201 14.1616 14.1616 k = 0.3333 0.5774-0.0000 ( 3546 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1912 -14.1912 -13.8548 -13.8548 -13.1829 -13.1829 -12.5177 -12.5177 -12.5034 -12.5034 -12.2948 -12.2948 -9.3189 -9.3189 -7.8084 -7.8084 -7.6045 -7.6045 -7.4718 -7.4718 1.8344 1.8344 3.1416 3.1416 3.1416 3.1416 3.1897 3.1897 4.5669 4.5669 4.5799 4.5799 4.7530 4.7530 5.8235 5.8235 5.8429 5.8429 6.5856 6.5856 7.0089 7.0089 7.0113 7.0113 11.5493 11.5493 12.5681 12.5681 12.5765 12.5765 13.2201 13.2201 14.1616 14.1616 k = 0.3275 0.5672-0.0000 ( 3550 PWs) bands (ev): -32.5943 -32.5943 -32.5933 -32.5933 -14.1910 -14.1910 -13.8552 -13.8552 -13.1820 -13.1820 -12.5222 -12.5222 -12.4988 -12.4988 -12.2946 -12.2946 -9.3190 -9.3190 -7.8089 -7.8089 -7.6056 -7.6056 -7.4710 -7.4710 1.8341 1.8341 3.1208 3.1208 3.1629 3.1629 3.1890 3.1890 4.5523 4.5523 4.5923 4.5923 4.7568 4.7568 5.8174 5.8174 5.8486 5.8486 6.5846 6.5846 7.0044 7.0044 7.0161 7.0161 11.5509 11.5509 12.5654 12.5654 12.5783 12.5783 13.2223 13.2223 14.1484 14.1484 k = 0.3216 0.5571-0.0000 ( 3550 PWs) bands (ev): -32.5949 -32.5949 -32.5928 -32.5928 -14.1903 -14.1903 -13.8562 -13.8562 -13.1796 -13.1796 -12.5299 -12.5299 -12.4907 -12.4907 -12.2940 -12.2940 -9.3193 -9.3193 -7.8107 -7.8107 -7.6089 -7.6089 -7.4687 -7.4687 1.8330 1.8330 3.1015 3.1015 3.1809 3.1809 3.1900 3.1900 4.5363 4.5363 4.6013 4.6013 4.7685 4.7685 5.8065 5.8065 5.8582 5.8582 6.5817 6.5817 6.9993 6.9993 7.0223 7.0223 11.5557 11.5557 12.5589 12.5589 12.5817 12.5817 13.2289 13.2289 14.1309 14.1309 k = 0.3158 0.5470-0.0000 ( 3552 PWs) bands (ev): -32.5955 -32.5955 -32.5924 -32.5924 -14.1892 -14.1892 -13.8578 -13.8578 -13.1755 -13.1755 -12.5379 -12.5379 -12.4821 -12.4821 -12.2929 -12.2929 -9.3198 -9.3198 -7.8136 -7.8136 -7.6140 -7.6140 -7.4655 -7.4655 1.8313 1.8313 3.0836 3.0836 3.1793 3.1793 3.2088 3.2088 4.5238 4.5238 4.6032 4.6032 4.7870 4.7870 5.7947 5.7947 5.8677 5.8677 6.5768 6.5768 6.9945 6.9945 7.0291 7.0291 11.5637 11.5637 12.5503 12.5503 12.5851 12.5851 13.2399 13.2399 14.1138 14.1138 k = 0.3099 0.5368-0.0000 ( 3560 PWs) bands (ev): -32.5962 -32.5962 -32.5921 -32.5921 -14.1876 -14.1876 -13.8598 -13.8598 -13.1700 -13.1700 -12.5457 -12.5457 -12.4734 -12.4734 -12.2915 -12.2915 -9.3205 -9.3205 -7.8175 -7.8175 -7.6206 -7.6206 -7.4616 -7.4616 1.8288 1.8288 3.0673 3.0673 3.1724 3.1724 3.2309 3.2309 4.5152 4.5152 4.6001 4.6001 4.8096 4.8096 5.7830 5.7830 5.8762 5.8762 6.5698 6.5698 6.9901 6.9901 7.0362 7.0362 11.5749 11.5749 12.5401 12.5401 12.5879 12.5879 13.2551 13.2551 14.0975 14.0975 k = 0.3041 0.5267-0.0000 ( 3562 PWs) bands (ev): -32.5970 -32.5970 -32.5918 -32.5918 -14.1854 -14.1854 -13.8622 -13.8622 -13.1631 -13.1631 -12.5532 -12.5532 -12.4649 -12.4649 -12.2897 -12.2897 -9.3213 -9.3213 -7.8225 -7.8225 -7.6283 -7.6283 -7.4576 -7.4576 1.8256 1.8256 3.0528 3.0528 3.1629 3.1629 3.2535 3.2535 4.5108 4.5108 4.5941 4.5941 4.8342 4.8342 5.7714 5.7714 5.8834 5.8834 6.5609 6.5609 6.9861 6.9861 7.0439 7.0439 11.5894 11.5894 12.5284 12.5284 12.5899 12.5899 13.2743 13.2743 14.0823 14.0823 k = 0.2982 0.5166-0.0000 ( 3564 PWs) bands (ev): -32.5978 -32.5978 -32.5915 -32.5915 -14.1828 -14.1828 -13.8647 -13.8647 -13.1550 -13.1550 -12.5602 -12.5602 -12.4566 -12.4566 -12.2875 -12.2875 -9.3223 -9.3223 -7.8285 -7.8285 -7.6369 -7.6369 -7.4537 -7.4537 1.8215 1.8215 3.0400 3.0400 3.1512 3.1512 3.2762 3.2762 4.5106 4.5106 4.5866 4.5866 4.8591 4.8591 5.7602 5.7602 5.8891 5.8891 6.5500 6.5500 6.9827 6.9827 7.0519 7.0519 11.6071 11.6071 12.5156 12.5156 12.5907 12.5907 13.2972 13.2972 14.0681 14.0681 k = 0.2924 0.5064-0.0000 ( 3568 PWs) bands (ev): -32.5987 -32.5987 -32.5913 -32.5913 -14.1796 -14.1796 -13.8673 -13.8673 -13.1456 -13.1456 -12.5668 -12.5668 -12.4484 -12.4484 -12.2848 -12.2848 -9.3234 -9.3234 -7.8355 -7.8355 -7.6463 -7.6463 -7.4501 -7.4501 1.8167 1.8167 3.0292 3.0292 3.1373 3.1373 3.2990 3.2990 4.5147 4.5147 4.5783 4.5783 4.8834 4.8834 5.7494 5.7494 5.8931 5.8931 6.5372 6.5372 6.9798 6.9798 7.0604 7.0604 11.6280 11.6280 12.5019 12.5019 12.5902 12.5902 13.3234 13.3234 14.0551 14.0551 k = 0.2865 0.4963-0.0000 ( 3558 PWs) bands (ev): -32.5997 -32.5997 -32.5911 -32.5911 -14.1759 -14.1759 -13.8698 -13.8698 -13.1353 -13.1353 -12.5729 -12.5729 -12.4405 -12.4405 -12.2818 -12.2818 -9.3246 -9.3246 -7.8433 -7.8433 -7.6563 -7.6563 -7.4471 -7.4471 1.8111 1.8111 3.0202 3.0202 3.1213 3.1213 3.3218 3.3218 4.5229 4.5229 4.5699 4.5699 4.9062 4.9062 5.7392 5.7392 5.8953 5.8953 6.5226 6.5226 6.9774 6.9774 7.0692 7.0692 11.6520 11.6520 12.4876 12.4876 12.5880 12.5880 13.3527 13.3527 14.0432 14.0432 k = 0.2807 0.4862-0.0000 ( 3562 PWs) bands (ev): -32.6008 -32.6008 -32.5911 -32.5911 -14.1716 -14.1716 -13.8721 -13.8721 -13.1240 -13.1240 -12.5786 -12.5786 -12.4329 -12.4329 -12.2784 -12.2784 -9.3260 -9.3260 -7.8518 -7.8518 -7.6671 -7.6671 -7.4446 -7.4446 1.8047 1.8047 3.0132 3.0132 3.1035 3.1035 3.3446 3.3446 4.5352 4.5352 4.5616 4.5616 4.9273 4.9273 5.7294 5.7294 5.8955 5.8955 6.5063 6.5063 6.9756 6.9756 7.0783 7.0783 11.6792 11.6792 12.4730 12.4730 12.5840 12.5840 13.3844 13.3844 14.0324 14.0324 k = 0.2749 0.4761-0.0000 ( 3558 PWs) bands (ev): -32.6019 -32.6019 -32.5910 -32.5910 -14.1667 -14.1667 -13.8742 -13.8742 -13.1119 -13.1119 -12.5837 -12.5837 -12.4255 -12.4255 -12.2746 -12.2746 -9.3275 -9.3275 -7.8611 -7.8611 -7.6784 -7.6784 -7.4429 -7.4429 1.7975 1.7975 3.0082 3.0082 3.0840 3.0840 3.3674 3.3674 4.5494 4.5494 4.5555 4.5555 4.9463 4.9463 5.7203 5.7203 5.8938 5.8938 6.4882 6.4882 6.9745 6.9745 7.0877 7.0877 11.7094 11.7094 12.4581 12.4581 12.5779 12.5779 13.4183 13.4183 14.0228 14.0228 k = 0.2690 0.4659-0.0000 ( 3554 PWs) bands (ev): -32.6030 -32.6030 -32.5910 -32.5910 -14.1613 -14.1613 -13.8758 -13.8758 -13.0991 -13.0991 -12.5883 -12.5883 -12.4184 -12.4184 -12.2704 -12.2704 -9.3291 -9.3291 -7.8711 -7.8711 -7.6903 -7.6903 -7.4419 -7.4419 1.7897 1.7897 3.0052 3.0052 3.0633 3.0633 3.3901 3.3901 4.5448 4.5448 4.5723 4.5723 4.9630 4.9630 5.7116 5.7116 5.8900 5.8900 6.4685 6.4685 6.9741 6.9741 7.0974 7.0974 11.7426 11.7426 12.4434 12.4434 12.5696 12.5696 13.4539 13.4539 14.0142 14.0142 k = 0.2632 0.4558-0.0000 ( 3558 PWs) bands (ev): -32.6043 -32.6043 -32.5911 -32.5911 -14.1554 -14.1554 -13.8769 -13.8769 -13.0858 -13.0858 -12.5924 -12.5924 -12.4116 -12.4116 -12.2659 -12.2659 -9.3308 -9.3308 -7.8817 -7.8817 -7.7028 -7.7028 -7.4417 -7.4417 1.7812 1.7812 3.0041 3.0041 3.0416 3.0416 3.4126 3.4126 4.5375 4.5375 4.5958 4.5958 4.9773 4.9773 5.7035 5.7035 5.8841 5.8841 6.4472 6.4472 6.9744 6.9744 7.1072 7.1072 11.7785 11.7785 12.4288 12.4288 12.5589 12.5589 13.4906 13.4906 14.0063 14.0063 k = 0.2573 0.4457-0.0000 ( 3568 PWs) bands (ev): -32.6056 -32.6056 -32.5913 -32.5913 -14.1489 -14.1489 -13.8775 -13.8775 -13.0719 -13.0719 -12.5958 -12.5958 -12.4051 -12.4051 -12.2611 -12.2611 -9.3327 -9.3327 -7.8929 -7.8929 -7.7160 -7.7160 -7.4423 -7.4423 1.7722 1.7722 3.0037 3.0037 3.0202 3.0202 3.4348 3.4348 4.5305 4.5305 4.6226 4.6226 4.9891 4.9891 5.6959 5.6959 5.8759 5.8759 6.4244 6.4244 6.9754 6.9754 7.1172 7.1172 11.8170 11.8170 12.4147 12.4147 12.5460 12.5460 13.5280 13.5280 13.9960 13.9960 k = 0.2515 0.4355-0.0000 ( 3558 PWs) bands (ev): -32.6069 -32.6069 -32.5915 -32.5915 -14.1418 -14.1418 -13.8773 -13.8773 -13.0576 -13.0576 -12.5986 -12.5986 -12.3988 -12.3988 -12.2560 -12.2560 -9.3346 -9.3346 -7.9046 -7.9046 -7.7298 -7.7298 -7.4436 -7.4436 1.7626 1.7626 2.9920 2.9920 3.0118 3.0118 3.4568 3.4568 4.5238 4.5238 4.6525 4.6525 4.9984 4.9984 5.6887 5.6887 5.8657 5.8657 6.4003 6.4003 6.9771 6.9771 7.1274 7.1274 11.8581 11.8581 12.4011 12.4011 12.5306 12.5306 13.5656 13.5656 13.9622 13.9622 k = 0.2456 0.4254-0.0000 ( 3558 PWs) bands (ev): -32.6084 -32.6084 -32.5917 -32.5917 -14.1343 -14.1343 -13.8765 -13.8765 -13.0429 -13.0429 -12.6008 -12.6008 -12.3928 -12.3928 -12.2507 -12.2507 -9.3367 -9.3367 -7.9168 -7.9168 -7.7442 -7.7442 -7.4458 -7.4458 1.7526 1.7526 2.9693 2.9693 3.0159 3.0159 3.4785 3.4785 4.5176 4.5176 4.6852 4.6852 5.0053 5.0053 5.6818 5.6818 5.8532 5.8532 6.3749 6.3749 6.9797 6.9797 7.1378 7.1378 11.9013 11.9013 12.3882 12.3882 12.5130 12.5130 13.6027 13.6027 13.9211 13.9211 k = 0.2398 0.4153-0.0000 ( 3560 PWs) bands (ev): -32.6099 -32.6099 -32.5921 -32.5921 -14.1264 -14.1264 -13.8749 -13.8749 -13.0280 -13.0280 -12.6023 -12.6023 -12.3869 -12.3869 -12.2452 -12.2452 -9.3389 -9.3389 -7.9295 -7.9295 -7.7593 -7.7593 -7.4486 -7.4486 1.7423 1.7423 2.9456 2.9456 3.0231 3.0231 3.4998 3.4998 4.5118 4.5118 4.7204 4.7204 5.0097 5.0097 5.6752 5.6752 5.8386 5.8386 6.3483 6.3483 6.9830 6.9830 7.1483 7.1483 11.9465 11.9465 12.3760 12.3760 12.4933 12.4933 13.6389 13.6389 13.8780 13.8780 k = 0.2339 0.4052-0.0000 ( 3552 PWs) bands (ev): -32.6114 -32.6114 -32.5925 -32.5925 -14.1180 -14.1180 -13.8725 -13.8725 -13.0130 -13.0130 -12.6031 -12.6031 -12.3813 -12.3813 -12.2396 -12.2396 -9.3413 -9.3413 -7.9427 -7.9427 -7.7751 -7.7751 -7.4520 -7.4520 1.7316 1.7316 2.9218 2.9218 3.0324 3.0324 3.5207 3.5207 4.5064 4.5064 4.7579 4.7579 5.0117 5.0117 5.6688 5.6688 5.8218 5.8218 6.3206 6.3206 6.9872 6.9872 7.1589 7.1589 11.9932 11.9932 12.3648 12.3648 12.4717 12.4717 13.6735 13.6735 13.8338 13.8338 k = 0.2281 0.3950-0.0000 ( 3550 PWs) bands (ev): -32.6130 -32.6130 -32.5929 -32.5929 -14.1092 -14.1092 -13.8693 -13.8693 -12.9978 -12.9978 -12.6030 -12.6030 -12.3757 -12.3757 -12.2338 -12.2338 -9.3438 -9.3438 -7.9565 -7.9565 -7.7915 -7.7915 -7.4560 -7.4560 1.7209 1.7209 2.8983 2.8983 3.0437 3.0437 3.5411 3.5411 4.5014 4.5014 4.7974 4.7974 5.0115 5.0115 5.6625 5.6625 5.8031 5.8031 6.2918 6.2918 6.9922 6.9922 7.1696 7.1696 12.0413 12.0413 12.3545 12.3545 12.4485 12.4485 13.7056 13.7056 13.7888 13.7888 k = 0.2222 0.3849-0.0000 ( 3548 PWs) bands (ev): -32.6147 -32.6147 -32.5934 -32.5934 -14.1001 -14.1001 -13.8652 -13.8652 -12.9827 -12.9827 -12.6021 -12.6021 -12.3703 -12.3703 -12.2280 -12.2280 -9.3465 -9.3465 -7.9708 -7.9708 -7.8085 -7.8085 -7.4605 -7.4605 1.7100 1.7100 2.8753 2.8753 3.0570 3.0570 3.5610 3.5610 4.4967 4.4967 4.8385 4.8385 5.0091 5.0091 5.6562 5.6562 5.7823 5.7823 6.2623 6.2623 6.9980 6.9980 7.1805 7.1805 12.0900 12.0900 12.3453 12.3453 12.4240 12.4240 13.7277 13.7277 13.7504 13.7504 k = 0.2164 0.3748-0.0000 ( 3554 PWs) bands (ev): -32.6163 -32.6163 -32.5940 -32.5940 -14.0907 -14.0907 -13.8603 -13.8603 -12.9675 -12.9675 -12.6004 -12.6004 -12.3650 -12.3650 -12.2222 -12.2222 -9.3494 -9.3494 -7.9857 -7.9857 -7.8262 -7.8262 -7.4655 -7.4655 1.6992 1.6992 2.8529 2.8529 3.0721 3.0721 3.5802 3.5802 4.4924 4.4924 4.8808 4.8808 5.0048 5.0048 5.6499 5.6499 5.7597 5.7597 6.2319 6.2319 7.0047 7.0047 7.1914 7.1914 12.1388 12.1388 12.3372 12.3372 12.3991 12.3991 13.6911 13.6911 13.7665 13.7665 k = 0.2105 0.3646-0.0000 ( 3566 PWs) bands (ev): -32.6181 -32.6181 -32.5946 -32.5946 -14.0812 -14.0812 -13.8545 -13.8545 -12.9525 -12.9525 -12.5977 -12.5977 -12.3597 -12.3597 -12.2164 -12.2164 -9.3525 -9.3525 -8.0013 -8.0013 -7.8445 -7.8445 -7.4707 -7.4707 1.6885 1.6885 2.8315 2.8315 3.0890 3.0890 3.5988 3.5988 4.4884 4.4884 4.9233 4.9233 4.9993 4.9993 5.6434 5.6434 5.7354 5.7354 6.2010 6.2010 7.0122 7.0122 7.2025 7.2025 12.1863 12.1863 12.3302 12.3302 12.3748 12.3748 13.6434 13.6434 13.7895 13.7895 k = 0.2047 0.3545-0.0000 ( 3568 PWs) bands (ev): -32.6199 -32.6199 -32.5952 -32.5952 -14.0714 -14.0714 -13.8478 -13.8478 -12.9377 -12.9377 -12.5940 -12.5940 -12.3545 -12.3545 -12.2106 -12.2106 -9.3558 -9.3558 -8.0174 -8.0174 -7.8634 -7.8634 -7.4762 -7.4762 1.6781 1.6781 2.8110 2.8110 3.1075 3.1075 3.6167 3.6167 4.4848 4.4848 4.9610 4.9610 4.9976 4.9976 5.6368 5.6368 5.7096 5.7096 6.1697 6.1697 7.0206 7.0206 7.2137 7.2137 12.2292 12.2292 12.3242 12.3242 12.3548 12.3548 13.5943 13.5943 13.8090 13.8090 k = 0.1988 0.3444-0.0000 ( 3568 PWs) bands (ev): -32.6217 -32.6217 -32.5960 -32.5960 -14.0615 -14.0615 -13.8402 -13.8402 -12.9230 -12.9230 -12.5892 -12.5892 -12.3492 -12.3492 -12.2050 -12.2050 -9.3594 -9.3594 -8.0342 -8.0342 -7.8830 -7.8830 -7.4818 -7.4818 1.6680 1.6680 2.7917 2.7917 3.1277 3.1277 3.6338 3.6338 4.4816 4.4816 4.9696 4.9696 5.0236 5.0236 5.6299 5.6299 5.6826 5.6826 6.1382 6.1382 7.0298 7.0298 7.2250 7.2250 12.2564 12.2564 12.3194 12.3194 12.3500 12.3500 13.5444 13.5444 13.8241 13.8241 k = 0.1930 0.3343-0.0000 ( 3568 PWs) bands (ev): -32.6235 -32.6235 -32.5967 -32.5967 -14.0516 -14.0516 -13.8318 -13.8318 -12.9086 -12.9086 -12.5833 -12.5833 -12.3438 -12.3438 -12.1994 -12.1994 -9.3633 -9.3633 -8.0518 -8.0518 -7.9030 -7.9030 -7.4874 -7.4874 1.6583 1.6583 2.7737 2.7737 3.1493 3.1493 3.6501 3.6501 4.4786 4.4786 4.9601 4.9601 5.0656 5.0656 5.6227 5.6227 5.6548 5.6548 6.1068 6.1068 7.0399 7.0399 7.2365 7.2365 12.2536 12.2536 12.3164 12.3164 12.3736 12.3736 13.4937 13.4937 13.8343 13.8343 k = 0.1871 0.3241-0.0000 ( 3570 PWs) bands (ev): -32.6254 -32.6254 -32.5975 -32.5975 -14.0417 -14.0417 -13.8227 -13.8227 -12.8945 -12.8945 -12.5763 -12.5763 -12.3384 -12.3384 -12.1940 -12.1940 -9.3675 -9.3675 -8.0701 -8.0701 -7.9236 -7.9236 -7.4929 -7.4929 1.6490 1.6490 2.7571 2.7571 3.1723 3.1723 3.6656 3.6656 4.4760 4.4760 4.9469 4.9469 5.1088 5.1088 5.6150 5.6150 5.6268 5.6268 6.0758 6.0758 7.0508 7.0508 7.2480 7.2480 12.2338 12.2338 12.3150 12.3150 12.4132 12.4132 13.4424 13.4424 13.8391 13.8391 k = 0.1813 0.3140-0.0000 ( 3570 PWs) bands (ev): -32.6273 -32.6273 -32.5984 -32.5984 -14.0318 -14.0318 -13.8128 -13.8128 -12.8807 -12.8807 -12.5680 -12.5680 -12.3329 -12.3329 -12.1887 -12.1887 -9.3721 -9.3721 -8.0892 -8.0892 -7.9447 -7.9447 -7.4983 -7.4983 1.6404 1.6404 2.7420 2.7420 3.1966 3.1966 3.6801 3.6801 4.4738 4.4738 4.9317 4.9317 5.1503 5.1503 5.5984 5.5984 5.6078 5.6078 6.0456 6.0456 7.0625 7.0625 7.2595 7.2595 12.2092 12.2092 12.3148 12.3148 12.4564 12.4564 13.3907 13.3907 13.8384 13.8384 k = 0.1754 0.3039-0.0000 ( 3569 PWs) bands (ev): -32.6292 -32.6292 -32.5992 -32.5992 -14.0221 -14.0221 -13.8022 -13.8022 -12.8672 -12.8672 -12.5586 -12.5586 -12.3272 -12.3272 -12.1836 -12.1836 -9.3770 -9.3770 -8.1091 -8.1091 -7.9661 -7.9661 -7.5034 -7.5034 1.6324 1.6324 2.7285 2.7285 3.2219 3.2219 3.6938 3.6938 4.4719 4.4719 4.9150 4.9150 5.1881 5.1881 5.5728 5.5728 5.5991 5.5991 6.0168 6.0168 7.0749 7.0749 7.2712 7.2712 12.1836 12.1836 12.3159 12.3159 12.4991 12.4991 13.3390 13.3390 13.8325 13.8325 k = 0.1696 0.2937-0.0000 ( 3581 PWs) bands (ev): -32.6312 -32.6312 -32.6001 -32.6001 -14.0125 -14.0125 -13.7911 -13.7911 -12.8541 -12.8541 -12.5481 -12.5481 -12.3213 -12.3213 -12.1787 -12.1787 -9.3824 -9.3824 -8.1299 -8.1299 -7.9880 -7.9880 -7.5081 -7.5081 1.6252 1.6252 2.7166 2.7166 3.2482 3.2482 3.7064 3.7064 4.4703 4.4703 4.8971 4.8971 5.2193 5.2193 5.5509 5.5509 5.5901 5.5901 5.9899 5.9899 7.0882 7.0882 7.2829 7.2829 12.1580 12.1580 12.3185 12.3185 12.5396 12.5396 13.2876 13.2876 13.8220 13.8220 k = 0.1637 0.2836-0.0000 ( 3585 PWs) bands (ev): -32.6331 -32.6331 -32.6011 -32.6011 -14.0032 -14.0032 -13.7795 -13.7795 -12.8413 -12.8413 -12.5363 -12.5363 -12.3152 -12.3152 -12.1740 -12.1740 -9.3882 -9.3882 -8.1514 -8.1514 -8.0101 -8.0101 -7.5125 -7.5125 1.6187 1.6187 2.7065 2.7065 3.2753 3.2753 3.7181 3.7181 4.4691 4.4691 4.8783 4.8783 5.2405 5.2405 5.5355 5.5355 5.5806 5.5806 5.9661 5.9661 7.1021 7.1021 7.2946 7.2946 12.1332 12.1332 12.3226 12.3226 12.5766 12.5766 13.2372 13.2372 13.8076 13.8076 k = 0.1579 0.2735-0.0000 ( 3581 PWs) bands (ev): -32.6350 -32.6350 -32.6020 -32.6020 -13.9940 -13.9940 -13.7674 -13.7674 -12.8287 -12.8287 -12.5234 -12.5234 -12.3089 -12.3089 -12.1695 -12.1695 -9.3945 -9.3945 -8.1739 -8.1739 -8.0324 -8.0324 -7.5165 -7.5165 1.6130 1.6130 2.6981 2.6981 3.3029 3.3029 3.7288 3.7288 4.4681 4.4681 4.8587 4.8587 5.2480 5.2480 5.5289 5.5289 5.5706 5.5706 5.9466 5.9466 7.1167 7.1167 7.3063 7.3063 12.1094 12.1094 12.3282 12.3282 12.6089 12.6089 13.1889 13.1889 13.7901 13.7901 k = 0.1520 0.2634-0.0000 ( 3589 PWs) bands (ev): -32.6370 -32.6370 -32.6030 -32.6030 -13.9851 -13.9851 -13.7551 -13.7551 -12.8165 -12.8165 -12.5095 -12.5095 -12.3024 -12.3024 -12.1652 -12.1652 -9.4012 -9.4012 -8.1971 -8.1971 -8.0548 -8.0548 -7.5200 -7.5200 1.6082 1.6082 2.6915 2.6915 3.3311 3.3311 3.7384 3.7384 4.4675 4.4675 4.8387 4.8387 5.2406 5.2406 5.5305 5.5305 5.5602 5.5602 5.9331 5.9331 7.1319 7.1319 7.3179 7.3179 12.0867 12.0867 12.3353 12.3353 12.6349 12.6349 13.1441 13.1441 13.7700 13.7700 k = 0.1462 0.2532-0.0000 ( 3581 PWs) bands (ev): -32.6389 -32.6389 -32.6040 -32.6040 -13.9765 -13.9765 -13.7425 -13.7425 -12.8045 -12.8045 -12.4946 -12.4946 -12.2955 -12.2955 -12.1611 -12.1611 -9.4085 -9.4085 -8.2212 -8.2212 -8.0772 -8.0772 -7.5229 -7.5229 1.6043 1.6043 2.6868 2.6868 3.3595 3.3595 3.7470 3.7470 4.4671 4.4671 4.8185 4.8185 5.2205 5.2205 5.5348 5.5348 5.5510 5.5510 5.9277 5.9277 7.1476 7.1476 7.3294 7.3294 12.0653 12.0653 12.3440 12.3440 12.6526 12.6526 13.1048 13.1048 13.7479 13.7479 k = 0.1404 0.2431-0.0000 ( 3585 PWs) bands (ev): -32.6408 -32.6408 -32.6050 -32.6050 -13.9682 -13.9682 -13.7298 -13.7298 -12.7928 -12.7928 -12.4787 -12.4787 -12.2884 -12.2884 -12.1572 -12.1572 -9.4163 -9.4163 -8.2460 -8.2460 -8.0994 -8.0994 -7.5254 -7.5254 1.6014 1.6014 2.6840 2.6840 3.3879 3.3879 3.7546 3.7546 4.4669 4.4669 4.7983 4.7983 5.1910 5.1910 5.5310 5.5310 5.5483 5.5483 5.9322 5.9322 7.1639 7.1639 7.3408 7.3408 12.0452 12.0452 12.3542 12.3542 12.6598 12.6598 13.0732 13.0732 13.7242 13.7242 k = 0.1345 0.2330-0.0000 ( 3585 PWs) bands (ev): -32.6427 -32.6427 -32.6060 -32.6060 -13.9603 -13.9603 -13.7170 -13.7170 -12.7812 -12.7812 -12.4621 -12.4621 -12.2809 -12.2809 -12.1535 -12.1535 -9.4246 -9.4246 -8.2715 -8.2715 -8.1215 -8.1215 -7.5274 -7.5274 1.5993 1.5993 2.6831 2.6831 3.4162 3.4162 3.7612 3.7612 4.4667 4.4667 4.7785 4.7785 5.1554 5.1554 5.5197 5.5197 5.5478 5.5478 5.9475 5.9475 7.1805 7.1805 7.3520 7.3520 12.0262 12.0262 12.3661 12.3661 12.6552 12.6552 13.0511 13.0511 13.6992 13.6992 k = 0.1287 0.2228-0.0000 ( 3591 PWs) bands (ev): -32.6446 -32.6446 -32.6070 -32.6070 -13.9527 -13.9527 -13.7044 -13.7044 -12.7698 -12.7698 -12.4448 -12.4448 -12.2730 -12.2730 -12.1500 -12.1500 -9.4335 -9.4335 -8.2977 -8.2977 -8.1432 -8.1432 -7.5288 -7.5288 1.5982 1.5982 2.6840 2.6840 3.4443 3.4443 3.7668 3.7668 4.4663 4.4663 4.7596 4.7596 5.1156 5.1156 5.5064 5.5064 5.5427 5.5427 5.9730 5.9730 7.1974 7.1974 7.3629 7.3629 12.0082 12.0082 12.3795 12.3795 12.6387 12.6387 13.0388 13.0388 13.6734 13.6734 k = 0.1228 0.2127-0.0000 ( 3591 PWs) bands (ev): -32.6464 -32.6464 -32.6080 -32.6080 -13.9454 -13.9454 -13.6919 -13.6919 -12.7586 -12.7586 -12.4270 -12.4270 -12.2648 -12.2648 -12.1466 -12.1466 -9.4429 -9.4429 -8.3245 -8.3245 -8.1644 -8.1644 -7.5298 -7.5298 1.5979 1.5979 2.6868 2.6868 3.4718 3.4718 3.7715 3.7715 4.4656 4.4656 4.7417 4.7417 5.0729 5.0729 5.4922 5.4922 5.5324 5.5324 6.0069 6.0069 7.2145 7.2145 7.3735 7.3735 11.9907 11.9907 12.3946 12.3946 12.6127 12.6127 13.0345 13.0345 13.6469 13.6469 k = 0.1170 0.2026-0.0000 ( 3591 PWs) bands (ev): -32.6482 -32.6482 -32.6090 -32.6090 -13.9386 -13.9386 -13.6796 -13.6796 -12.7476 -12.7476 -12.4087 -12.4087 -12.2562 -12.2562 -12.1434 -12.1434 -9.4528 -9.4528 -8.3517 -8.3517 -8.1851 -8.1851 -7.5304 -7.5304 1.5985 1.5985 2.6914 2.6914 3.4986 3.4986 3.7752 3.7752 4.4643 4.4643 4.7254 4.7254 5.0281 5.0281 5.4774 5.4774 5.5182 5.5182 6.0472 6.0472 7.2318 7.2318 7.3837 7.3837 11.9733 11.9733 12.4114 12.4114 12.5805 12.5805 13.0355 13.0355 13.6202 13.6202 k = 0.1111 0.1925-0.0000 ( 3591 PWs) bands (ev): -32.6499 -32.6499 -32.6100 -32.6100 -13.9321 -13.9321 -13.6677 -13.6677 -12.7368 -12.7368 -12.3901 -12.3901 -12.2472 -12.2472 -12.1403 -12.1403 -9.4632 -9.4632 -8.3793 -8.3793 -8.2052 -8.2052 -7.5305 -7.5305 1.6000 1.6000 2.6977 2.6977 3.5245 3.5245 3.7780 3.7780 4.4620 4.4620 4.7112 4.7112 4.9819 4.9819 5.4620 5.4620 5.5014 5.5014 6.0918 6.0918 7.2491 7.2491 7.3935 7.3935 11.9554 11.9554 12.4298 12.4298 12.5459 12.5459 13.0391 13.0391 13.5933 13.5933 k = 0.1053 0.1823-0.0000 ( 3595 PWs) bands (ev): -32.6516 -32.6516 -32.6110 -32.6110 -13.9260 -13.9260 -13.6561 -13.6561 -12.7262 -12.7262 -12.3714 -12.3714 -12.2380 -12.2380 -12.1373 -12.1373 -9.4740 -9.4740 -8.4070 -8.4070 -8.2245 -8.2245 -7.5303 -7.5303 1.6022 1.6022 2.7058 2.7058 3.5494 3.5494 3.7801 3.7801 4.4584 4.4584 4.6993 4.6993 4.9348 4.9348 5.4462 5.4462 5.4831 5.4831 6.1393 6.1393 7.2662 7.2662 7.4028 7.4028 11.9363 11.9363 12.4498 12.4498 12.5121 12.5121 13.0431 13.0431 13.5664 13.5664 k = 0.0994 0.1722-0.0000 ( 3593 PWs) bands (ev): -32.6532 -32.6532 -32.6119 -32.6119 -13.9203 -13.9203 -13.6451 -13.6451 -12.7159 -12.7159 -12.3526 -12.3526 -12.2284 -12.2284 -12.1344 -12.1344 -9.4852 -9.4852 -8.4348 -8.4348 -8.2430 -8.2430 -7.5297 -7.5297 1.6052 1.6052 2.7155 2.7155 3.5732 3.5732 3.7813 3.7813 4.4533 4.4533 4.6902 4.6902 4.8870 4.8870 5.4301 5.4301 5.4642 5.4642 6.1885 6.1885 7.2832 7.2832 7.4115 7.4115 11.9150 11.9150 12.4708 12.4708 12.4823 12.4823 13.0461 13.0461 13.5397 13.5397 k = 0.0936 0.1621-0.0000 ( 3593 PWs) bands (ev): -32.6548 -32.6548 -32.6128 -32.6128 -13.9149 -13.9149 -13.6345 -13.6345 -12.7059 -12.7059 -12.3340 -12.3340 -12.2186 -12.2186 -12.1314 -12.1314 -9.4968 -9.4968 -8.4624 -8.4624 -8.2607 -8.2607 -7.5289 -7.5289 1.6088 1.6088 2.7267 2.7267 3.5957 3.5957 3.7819 3.7819 4.4466 4.4466 4.6839 4.6839 4.8390 4.8390 5.4140 5.4140 5.4454 5.4454 6.2385 6.2385 7.2998 7.2998 7.4197 7.4197 11.8910 11.8910 12.4559 12.4559 12.4955 12.4955 13.0472 13.0472 13.5134 13.5134 k = 0.0877 0.1519-0.0000 ( 3593 PWs) bands (ev): -32.6563 -32.6563 -32.6137 -32.6137 -13.9100 -13.9100 -13.6245 -13.6245 -12.6962 -12.6962 -12.3156 -12.3156 -12.2087 -12.2087 -12.1284 -12.1284 -9.5085 -9.5085 -8.4897 -8.4897 -8.2775 -8.2775 -7.5278 -7.5278 1.6129 1.6129 2.7393 2.7393 3.6168 3.6168 3.7818 3.7818 4.4383 4.4383 4.6803 4.6803 4.7912 4.7912 5.3979 5.3979 5.4269 5.4269 6.2885 6.2885 7.3160 7.3160 7.4271 7.4271 11.8638 11.8638 12.4377 12.4377 12.5204 12.5204 13.0460 13.0460 13.4873 13.4873 k = 0.0819 0.1418-0.0000 ( 3585 PWs) bands (ev): -32.6577 -32.6577 -32.6145 -32.6145 -13.9054 -13.9054 -13.6150 -13.6150 -12.6869 -12.6869 -12.2976 -12.2976 -12.1989 -12.1989 -12.1252 -12.1252 -9.5204 -9.5204 -8.5165 -8.5165 -8.2932 -8.2932 -7.5265 -7.5265 1.6176 1.6176 2.7532 2.7532 3.6365 3.6365 3.7813 3.7813 4.4286 4.4286 4.6788 4.6788 4.7442 4.7442 5.3822 5.3822 5.4091 5.4091 6.3381 6.3381 7.3316 7.3316 7.4339 7.4339 11.8335 11.8335 12.4271 12.4271 12.5472 12.5472 13.0426 13.0426 13.4617 13.4617 k = 0.0760 0.1317-0.0000 ( 3585 PWs) bands (ev): -32.6591 -32.6591 -32.6154 -32.6154 -13.9012 -13.9012 -13.6062 -13.6062 -12.6781 -12.6781 -12.2802 -12.2802 -12.1893 -12.1893 -12.1217 -12.1217 -9.5324 -9.5324 -8.5426 -8.5426 -8.3080 -8.3080 -7.5251 -7.5251 1.6226 1.6226 2.7681 2.7681 3.6546 3.6546 3.7803 3.7803 4.4178 4.4178 4.6762 4.6762 4.7012 4.7012 5.3668 5.3668 5.3922 5.3922 6.3867 6.3867 7.3466 7.3466 7.4400 7.4400 11.8003 11.8003 12.4244 12.4244 12.5755 12.5755 13.0371 13.0371 13.4364 13.4364 k = 0.0702 0.1215-0.0000 ( 3587 PWs) bands (ev): -32.6603 -32.6603 -32.6161 -32.6161 -13.8974 -13.8974 -13.5980 -13.5980 -12.6698 -12.6698 -12.2635 -12.2635 -12.1801 -12.1801 -12.1178 -12.1178 -9.5442 -9.5442 -8.5677 -8.5677 -8.3217 -8.3217 -7.5236 -7.5236 1.6278 1.6278 2.7839 2.7839 3.6712 3.6712 3.7789 3.7789 4.4064 4.4064 4.6466 4.6466 4.6879 4.6879 5.3522 5.3522 5.3764 5.3764 6.4339 6.4339 7.3607 7.3607 7.4453 7.4453 11.7650 11.7650 12.4295 12.4295 12.6054 12.6054 13.0301 13.0301 13.4115 13.4115 k = 0.0643 0.1114-0.0000 ( 3587 PWs) bands (ev): -32.6615 -32.6615 -32.6168 -32.6168 -13.8940 -13.8940 -13.5904 -13.5904 -12.6620 -12.6620 -12.2476 -12.2476 -12.1717 -12.1717 -12.1133 -12.1133 -9.5558 -9.5558 -8.5918 -8.5918 -8.3344 -8.3344 -7.5221 -7.5221 1.6333 1.6333 2.8003 2.8003 3.6864 3.6864 3.7772 3.7772 4.3947 4.3947 4.6035 4.6035 4.6906 4.6906 5.3383 5.3383 5.3618 5.3618 6.4793 6.4793 7.3740 7.3740 7.4499 7.4499 11.7286 11.7286 12.4418 12.4418 12.6369 12.6369 13.0220 13.0220 13.3868 13.3868 k = 0.0585 0.1013-0.0000 ( 3599 PWs) bands (ev): -32.6626 -32.6626 -32.6175 -32.6175 -13.8909 -13.8909 -13.5836 -13.5836 -12.6548 -12.6548 -12.2326 -12.2326 -12.1642 -12.1642 -12.1082 -12.1082 -9.5671 -9.5671 -8.6146 -8.6146 -8.3460 -8.3460 -7.5205 -7.5205 1.6387 1.6387 2.8171 2.8171 3.7000 3.7000 3.7754 3.7754 4.3831 4.3831 4.5611 4.5611 4.6952 4.6952 5.3255 5.3255 5.3484 5.3484 6.5225 6.5225 7.3862 7.3862 7.4538 7.4538 11.6921 11.6921 12.4606 12.4606 12.6699 12.6699 13.0134 13.0134 13.3620 13.3620 k = 0.0526 0.0912-0.0000 ( 3599 PWs) bands (ev): -32.6636 -32.6636 -32.6181 -32.6181 -13.8881 -13.8881 -13.5773 -13.5773 -12.6483 -12.6483 -12.2188 -12.2188 -12.1577 -12.1577 -12.1025 -12.1025 -9.5779 -9.5779 -8.6359 -8.6359 -8.3565 -8.3565 -7.5190 -7.5190 1.6441 1.6441 2.8339 2.8339 3.7121 3.7121 3.7734 3.7734 4.3718 4.3718 4.5206 4.5206 4.7003 4.7003 5.3137 5.3137 5.3362 5.3362 6.5631 6.5631 7.3972 7.3972 7.4571 7.4571 11.6565 11.6565 12.4853 12.4853 12.7042 12.7042 13.0047 13.0047 13.3371 13.3371 k = 0.0468 0.0810-0.0000 ( 3607 PWs) bands (ev): -32.6646 -32.6646 -32.6187 -32.6187 -13.8857 -13.8857 -13.5718 -13.5718 -12.6423 -12.6423 -12.2061 -12.2061 -12.1524 -12.1524 -12.0962 -12.0962 -9.5880 -9.5880 -8.6556 -8.6556 -8.3659 -8.3659 -7.5175 -7.5175 1.6493 1.6493 2.8505 2.8505 3.7228 3.7228 3.7714 3.7714 4.3610 4.3610 4.4826 4.4826 4.7056 4.7056 5.3032 5.3032 5.3254 5.3254 6.6007 6.6007 7.4070 7.4070 7.4600 7.4600 11.6225 11.6225 12.5150 12.5150 12.7398 12.7398 12.9966 12.9966 13.3116 13.3116 k = 0.0409 0.0709-0.0000 ( 3617 PWs) bands (ev): -32.6654 -32.6654 -32.6192 -32.6192 -13.8836 -13.8836 -13.5669 -13.5669 -12.6371 -12.6371 -12.1948 -12.1948 -12.1479 -12.1479 -12.0898 -12.0898 -9.5974 -9.5974 -8.6734 -8.6734 -8.3743 -8.3743 -7.5161 -7.5161 1.6541 1.6541 2.8664 2.8664 3.7320 3.7320 3.7695 3.7695 4.3510 4.3510 4.4477 4.4477 4.7106 4.7106 5.2939 5.2939 5.3160 5.3160 6.6351 6.6351 7.4154 7.4154 7.4624 7.4624 11.5910 11.5910 12.5491 12.5491 12.7767 12.7767 12.9894 12.9894 13.2852 13.2852 k = 0.0351 0.0608-0.0000 ( 3611 PWs) bands (ev): -32.6661 -32.6661 -32.6196 -32.6196 -13.8817 -13.8817 -13.5627 -13.5627 -12.6325 -12.6325 -12.1850 -12.1850 -12.1442 -12.1442 -12.0835 -12.0835 -9.6058 -9.6058 -8.6892 -8.6892 -8.3814 -8.3814 -7.5148 -7.5148 1.6586 1.6586 2.8813 2.8813 3.7399 3.7399 3.7678 3.7678 4.3418 4.3418 4.4164 4.4164 4.7151 4.7151 5.2859 5.2859 5.3078 5.3078 6.6658 6.6658 7.4223 7.4223 7.4646 7.4646 11.5625 11.5625 12.5865 12.5865 12.8146 12.8146 12.9838 12.9838 13.2574 13.2574 k = 0.0292 0.0506-0.0000 ( 3615 PWs) bands (ev): -32.6667 -32.6667 -32.6200 -32.6200 -13.8802 -13.8802 -13.5591 -13.5591 -12.6286 -12.6286 -12.1767 -12.1767 -12.1411 -12.1411 -12.0776 -12.0776 -9.6132 -9.6132 -8.7028 -8.7028 -8.3875 -8.3875 -7.5137 -7.5137 1.6626 1.6626 2.8948 2.8948 3.7464 3.7464 3.7663 3.7663 4.3335 4.3335 4.3893 4.3893 4.7191 4.7191 5.2791 5.2791 5.3011 5.3011 6.6926 6.6926 7.4276 7.4276 7.4667 7.4667 11.5376 11.5376 12.6260 12.6260 12.8533 12.8533 12.9804 12.9804 13.2279 13.2279 k = 0.0234 0.0405-0.0000 ( 3619 PWs) bands (ev): -32.6672 -32.6672 -32.6203 -32.6203 -13.8790 -13.8790 -13.5562 -13.5562 -12.6255 -12.6255 -12.1701 -12.1701 -12.1385 -12.1385 -12.0724 -12.0724 -9.6194 -9.6194 -8.7141 -8.7141 -8.3925 -8.3925 -7.5128 -7.5128 1.6660 1.6660 2.9065 2.9065 3.7515 3.7515 3.7651 3.7651 4.3258 4.3258 4.3670 4.3670 4.7224 4.7224 5.2736 5.2736 5.2956 5.2956 6.7150 6.7150 7.4316 7.4316 7.4687 7.4687 11.5167 11.5167 12.6662 12.6662 12.8927 12.8927 12.9803 12.9803 13.1964 13.1964 k = 0.0175 0.0304-0.0000 ( 3627 PWs) bands (ev): -32.6676 -32.6676 -32.6205 -32.6205 -13.8780 -13.8780 -13.5539 -13.5539 -12.6230 -12.6230 -12.1652 -12.1652 -12.1362 -12.1362 -12.0681 -12.0681 -9.6244 -9.6244 -8.7231 -8.7231 -8.3963 -8.3963 -7.5121 -7.5121 1.6687 1.6687 2.9161 2.9161 3.7552 3.7552 3.7644 3.7644 4.3188 4.3188 4.3502 4.3502 4.7249 4.7249 5.2694 5.2694 5.2914 5.2914 6.7327 6.7327 7.4342 7.4342 7.4705 7.4705 11.5001 11.5001 12.7044 12.7044 12.9325 12.9325 12.9850 12.9850 13.1628 13.1628 k = 0.0117 0.0203-0.0000 ( 3639 PWs) bands (ev): -32.6678 -32.6678 -32.6207 -32.6207 -13.8774 -13.8774 -13.5523 -13.5523 -12.6212 -12.6212 -12.1618 -12.1618 -12.1345 -12.1345 -12.0650 -12.0650 -9.6280 -9.6280 -8.7295 -8.7295 -8.3991 -8.3991 -7.5115 -7.5115 1.6706 1.6706 2.9232 2.9232 3.7573 3.7573 3.7643 3.7643 4.3124 4.3124 4.3392 4.3392 4.7267 4.7267 5.2664 5.2664 5.2885 5.2885 6.7456 6.7456 7.4358 7.4358 7.4719 7.4719 11.4880 11.4880 12.7370 12.7370 12.9720 12.9720 12.9970 12.9970 13.1270 13.1270 k = 0.0058 0.0101-0.0000 ( 3651 PWs) bands (ev): -32.6680 -32.6680 -32.6208 -32.6208 -13.8770 -13.8770 -13.5514 -13.5514 -12.6202 -12.6202 -12.1599 -12.1599 -12.1333 -12.1333 -12.0630 -12.0630 -9.6301 -9.6301 -8.7334 -8.7334 -8.4008 -8.4008 -7.5112 -7.5112 1.6718 1.6718 2.9276 2.9276 3.7583 3.7583 3.7646 3.7646 4.3077 4.3077 4.3333 4.3333 4.7278 4.7278 5.2645 5.2645 5.2867 5.2867 6.7535 6.7535 7.4367 7.4367 7.4728 7.4728 11.4807 11.4807 12.7594 12.7594 13.0094 13.0094 13.0201 13.0201 13.0895 13.0895 k = 0.0000 0.0000 0.0000 ( 3651 PWs) bands (ev): -32.6681 -32.6681 -32.6208 -32.6208 -13.8769 -13.8769 -13.5510 -13.5510 -12.6198 -12.6198 -12.1593 -12.1593 -12.1329 -12.1329 -12.0624 -12.0624 -9.6309 -9.6309 -8.7347 -8.7347 -8.4013 -8.4013 -7.5111 -7.5111 1.6722 1.6722 2.9290 2.9290 3.7585 3.7585 3.7648 3.7648 4.3060 4.3060 4.3315 4.3315 4.7282 4.7282 5.2639 5.2639 5.2862 5.2862 6.7561 6.7561 7.4370 7.4370 7.4731 7.4731 11.4783 11.4783 12.7674 12.7674 13.0349 13.0349 13.0510 13.0510 13.0609 13.0609 k = 0.0000 0.0000 0.0000 ( 3651 PWs) bands (ev): -32.6681 -32.6681 -32.6208 -32.6208 -13.8769 -13.8769 -13.5510 -13.5510 -12.6198 -12.6198 -12.1593 -12.1593 -12.1329 -12.1329 -12.0624 -12.0624 -9.6309 -9.6309 -8.7347 -8.7347 -8.4013 -8.4013 -7.5111 -7.5111 1.6722 1.6722 2.9290 2.9290 3.7585 3.7585 3.7648 3.7648 4.3060 4.3060 4.3315 4.3315 4.7282 4.7282 5.2639 5.2639 5.2862 5.2862 6.7561 6.7561 7.4370 7.4370 7.4731 7.4731 11.4783 11.4783 12.7674 12.7674 13.0349 13.0349 13.0510 13.0510 13.0609 13.0609 k = 0.0000 0.0000 0.0113 ( 3651 PWs) bands (ev): -32.6681 -32.6681 -32.6208 -32.6208 -13.8768 -13.8768 -13.5511 -13.5511 -12.6198 -12.6198 -12.1594 -12.1594 -12.1329 -12.1329 -12.0624 -12.0624 -9.6301 -9.6301 -8.7347 -8.7347 -8.4029 -8.4029 -7.5101 -7.5101 1.6720 1.6720 2.9289 2.9289 3.7572 3.7572 3.7636 3.7636 4.3084 4.3084 4.3338 4.3338 4.7290 4.7290 5.2628 5.2628 5.2851 5.2851 6.7552 6.7552 7.4368 7.4368 7.4729 7.4729 11.4797 11.4797 12.7686 12.7686 13.0296 13.0296 13.0493 13.0493 13.0578 13.0578 k = 0.0000 0.0000 0.0226 ( 3639 PWs) bands (ev): -32.6681 -32.6681 -32.6208 -32.6208 -13.8767 -13.8767 -13.5512 -13.5512 -12.6196 -12.6196 -12.1598 -12.1598 -12.1329 -12.1329 -12.0624 -12.0624 -9.6278 -9.6278 -8.7347 -8.7347 -8.4077 -8.4077 -7.5072 -7.5072 1.6713 1.6713 2.9286 2.9286 3.7536 3.7536 3.7600 3.7600 4.3153 4.3153 4.3406 4.3406 4.7313 4.7313 5.2594 5.2594 5.2818 5.2818 6.7527 6.7527 7.4363 7.4363 7.4723 7.4723 11.4841 11.4841 12.7723 12.7723 13.0215 13.0215 13.0385 13.0385 13.0703 13.0703 k = 0.0000 0.0000 0.0340 ( 3639 PWs) bands (ev): -32.6681 -32.6681 -32.6208 -32.6208 -13.8765 -13.8765 -13.5514 -13.5514 -12.6194 -12.6194 -12.1606 -12.1606 -12.1329 -12.1329 -12.0624 -12.0624 -9.6241 -9.6241 -8.7346 -8.7346 -8.4155 -8.4155 -7.5025 -7.5025 1.6700 1.6700 2.9282 2.9282 3.7477 3.7477 3.7543 3.7543 4.3266 4.3266 4.3517 4.3517 4.7351 4.7351 5.2538 5.2538 5.2764 5.2764 6.7485 6.7485 7.4354 7.4354 7.4712 7.4712 11.4913 11.4913 12.7783 12.7783 13.0141 13.0141 13.0293 13.0293 13.0848 13.0848 k = 0.0000 0.0000 0.0453 ( 3627 PWs) bands (ev): -32.6681 -32.6681 -32.6208 -32.6208 -13.8762 -13.8762 -13.5516 -13.5516 -12.6190 -12.6190 -12.1616 -12.1616 -12.1329 -12.1329 -12.0624 -12.0624 -9.6190 -9.6190 -8.7345 -8.7345 -8.4260 -8.4260 -7.4962 -7.4962 1.6684 1.6684 2.9275 2.9275 3.7401 3.7401 3.7468 3.7468 4.3419 4.3419 4.3668 4.3668 4.7404 4.7404 5.2460 5.2460 5.2689 5.2689 6.7428 6.7428 7.4343 7.4343 7.4698 7.4698 11.5012 11.5012 12.7866 12.7866 13.0081 13.0081 13.0216 13.0216 13.1006 13.1006 k = 0.0000 0.0000 0.0566 ( 3603 PWs) bands (ev): -32.6681 -32.6681 -32.6208 -32.6208 -13.8758 -13.8758 -13.5518 -13.5518 -12.6186 -12.6186 -12.1628 -12.1628 -12.1329 -12.1329 -12.0623 -12.0623 -9.6125 -9.6125 -8.7344 -8.7344 -8.4391 -8.4391 -7.4885 -7.4885 1.6663 1.6663 2.9267 2.9267 3.7310 3.7310 3.7379 3.7379 4.3608 4.3608 4.3853 4.3853 4.7469 4.7469 5.2361 5.2361 5.2593 5.2593 6.7357 6.7357 7.4329 7.4329 7.4681 7.4681 11.5134 11.5134 12.7970 12.7970 13.0036 13.0036 13.0155 13.0155 13.1176 13.1176 k = 0.0000 0.0000 0.0679 ( 3592 PWs) bands (ev): -32.6681 -32.6681 -32.6208 -32.6208 -13.8754 -13.8754 -13.5522 -13.5522 -12.6181 -12.6181 -12.1642 -12.1642 -12.1329 -12.1329 -12.0623 -12.0623 -9.6048 -9.6048 -8.7343 -8.7343 -8.4543 -8.4543 -7.4797 -7.4797 1.6639 1.6639 2.9258 2.9258 3.7208 3.7208 3.7279 3.7279 4.3828 4.3828 4.4070 4.4070 4.7546 4.7546 5.2240 5.2240 5.2476 5.2476 6.7273 6.7273 7.4312 7.4312 7.4660 7.4660 11.5278 11.5278 12.8093 12.8093 13.0004 13.0004 13.0109 13.0109 13.1355 13.1355 k = 0.0000 0.0000 0.0792 ( 3580 PWs) bands (ev): -32.6680 -32.6680 -32.6208 -32.6208 -13.8750 -13.8750 -13.5526 -13.5526 -12.6176 -12.6176 -12.1659 -12.1659 -12.1329 -12.1329 -12.0623 -12.0623 -9.5960 -9.5960 -8.7341 -8.7341 -8.4714 -8.4714 -7.4701 -7.4701 1.6612 1.6612 2.9248 2.9248 3.7100 3.7100 3.7173 3.7173 4.4074 4.4074 4.4312 4.4312 4.7632 4.7632 5.2099 5.2099 5.2339 5.2339 6.7179 6.7179 7.4294 7.4294 7.4637 7.4637 11.5439 11.5439 12.8231 12.8231 12.9986 12.9986 13.0078 13.0078 13.1540 13.1540 k = 0.0000 0.0000 0.0906 ( 3580 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8745 -13.8745 -13.5530 -13.5530 -12.6170 -12.6170 -12.1676 -12.1676 -12.1329 -12.1329 -12.0623 -12.0623 -9.5863 -9.5863 -8.7338 -8.7338 -8.4898 -8.4898 -7.4600 -7.4600 1.6583 1.6583 2.9237 2.9237 3.6989 3.6989 3.7063 3.7063 4.4343 4.4343 4.4577 4.4577 4.7726 4.7726 5.1938 5.1938 5.2184 5.2184 6.7077 6.7077 7.4274 7.4274 7.4612 7.4612 11.5615 11.5615 12.8381 12.8381 12.9980 12.9980 13.0059 13.0059 13.1730 13.1730 k = 0.0000 0.0000 0.1019 ( 3568 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8739 -13.8739 -13.5534 -13.5534 -12.6164 -12.6164 -12.1695 -12.1695 -12.1329 -12.1329 -12.0623 -12.0623 -9.5758 -9.5758 -8.7335 -8.7335 -8.5091 -8.5091 -7.4496 -7.4496 1.6552 1.6552 2.9226 2.9226 3.6878 3.6878 3.6953 3.6953 4.4630 4.4630 4.4859 4.4859 4.7825 4.7825 5.1758 5.1758 5.2010 5.2010 6.6969 6.6969 7.4253 7.4253 7.4586 7.4586 11.5800 11.5800 12.8538 12.8538 12.9986 12.9986 13.0052 13.0052 13.1922 13.1922 k = 0.0000 0.0000 0.1132 ( 3568 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8734 -13.8734 -13.5539 -13.5539 -12.6157 -12.6157 -12.1714 -12.1714 -12.1329 -12.1329 -12.0623 -12.0623 -9.5648 -9.5648 -8.7332 -8.7332 -8.5291 -8.5291 -7.4392 -7.4392 1.6520 1.6520 2.9214 2.9214 3.6770 3.6770 3.6846 3.6846 4.4932 4.4932 4.5156 4.5156 4.7927 4.7927 5.1561 5.1561 5.1820 5.1820 6.6858 6.6858 7.4231 7.4231 7.4559 7.4559 11.5989 11.5989 12.8699 12.8699 13.0001 13.0001 13.0056 13.0056 13.2113 13.2113 k = 0.0000 0.0000 0.1245 ( 3568 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8729 -13.8729 -13.5543 -13.5543 -12.6151 -12.6151 -12.1733 -12.1733 -12.1329 -12.1329 -12.0623 -12.0623 -9.5535 -9.5535 -8.7327 -8.7327 -8.5491 -8.5491 -7.4291 -7.4291 1.6489 1.6489 2.9203 2.9203 3.6666 3.6666 3.6744 3.6744 4.5246 4.5246 4.5464 4.5464 4.8030 4.8030 5.1347 5.1347 5.1614 5.1614 6.6746 6.6746 7.4210 7.4210 7.4532 7.4532 11.6180 11.6180 12.8856 12.8856 13.0025 13.0025 13.0068 13.0068 13.2302 13.2302 k = 0.0000 0.0000 0.1358 ( 3562 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8724 -13.8724 -13.5548 -13.5548 -12.6144 -12.6144 -12.1752 -12.1752 -12.1329 -12.1329 -12.0623 -12.0623 -9.5421 -9.5421 -8.7322 -8.7322 -8.5689 -8.5689 -7.4195 -7.4195 1.6458 1.6458 2.9192 2.9192 3.6570 3.6570 3.6648 3.6648 4.5567 4.5567 4.5779 4.5779 4.8131 4.8131 5.1119 5.1119 5.1394 5.1394 6.6637 6.6637 7.4189 7.4189 7.4506 7.4506 11.6366 11.6366 12.9006 12.9006 13.0054 13.0054 13.0087 13.0087 13.2485 13.2485 k = 0.0000 0.0000 0.1472 ( 3574 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8719 -13.8719 -13.5552 -13.5552 -12.6138 -12.6138 -12.1770 -12.1770 -12.1329 -12.1329 -12.0623 -12.0623 -9.5310 -9.5310 -8.7315 -8.7315 -8.5879 -8.5879 -7.4106 -7.4106 1.6429 1.6429 2.9182 2.9182 3.6482 3.6482 3.6561 3.6561 4.5893 4.5893 4.6096 4.6096 4.8227 4.8227 5.0878 5.0878 5.1163 5.1163 6.6532 6.6532 7.4170 7.4170 7.4482 7.4482 11.6543 11.6543 12.9144 12.9144 13.0088 13.0088 13.0111 13.0111 13.2659 13.2659 k = 0.0000 0.0000 0.1585 ( 3580 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8714 -13.8714 -13.5556 -13.5556 -12.6133 -12.6133 -12.1786 -12.1786 -12.1330 -12.1330 -12.0623 -12.0623 -9.5205 -9.5205 -8.7307 -8.7307 -8.6058 -8.6058 -7.4025 -7.4025 1.6402 1.6402 2.9172 2.9172 3.6403 3.6403 3.6483 3.6483 4.6219 4.6219 4.6413 4.6413 4.8316 4.8316 5.0627 5.0627 5.0924 5.0924 6.6435 6.6435 7.4151 7.4151 7.4459 7.4459 11.6707 11.6707 12.9266 12.9266 13.0123 13.0123 13.0138 13.0138 13.2820 13.2820 k = 0.0000 0.0000 0.1698 ( 3586 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8710 -13.8710 -13.5560 -13.5560 -12.6127 -12.6127 -12.1801 -12.1801 -12.1330 -12.1330 -12.0623 -12.0623 -9.5108 -9.5108 -8.7297 -8.7297 -8.6221 -8.6221 -7.3954 -7.3954 1.6378 1.6378 2.9164 2.9164 3.6336 3.6336 3.6415 3.6415 4.6541 4.6541 4.6722 4.6722 4.8396 4.8396 5.0371 5.0371 5.0681 5.0681 6.6348 6.6348 7.4135 7.4135 7.4439 7.4439 11.6853 11.6853 12.9369 12.9369 13.0157 13.0157 13.0165 13.0165 13.2966 13.2966 k = 0.0000 0.0000 0.1811 ( 3586 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8707 -13.8707 -13.5563 -13.5563 -12.6123 -12.6123 -12.1814 -12.1814 -12.1330 -12.1330 -12.0622 -12.0622 -9.5023 -9.5023 -8.7286 -8.7286 -8.6365 -8.6365 -7.3895 -7.3895 1.6358 1.6358 2.9157 2.9157 3.6279 3.6279 3.6359 3.6359 4.6853 4.6853 4.7018 4.7018 4.8463 4.8463 5.0115 5.0115 5.0441 5.0441 6.6273 6.6273 7.4122 7.4122 7.4422 7.4422 11.6978 11.6978 12.9453 12.9453 13.0189 13.0189 13.0190 13.0190 13.3091 13.3091 k = 0.0000 0.0000 0.1924 ( 3586 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8704 -13.8704 -13.5565 -13.5565 -12.6120 -12.6120 -12.1824 -12.1824 -12.1330 -12.1330 -12.0622 -12.0622 -9.4954 -9.4954 -8.7274 -8.7274 -8.6484 -8.6484 -7.3848 -7.3848 1.6341 1.6341 2.9152 2.9152 3.6234 3.6234 3.6314 3.6314 4.7142 4.7142 4.7288 4.7288 4.8517 4.8517 4.9870 4.9870 5.0216 5.0216 6.6213 6.6213 7.4111 7.4111 7.4408 7.4408 11.7079 11.7079 12.9518 12.9518 13.0212 13.0212 13.0216 13.0216 13.3193 13.3193 k = 0.0000 0.0000 0.2038 ( 3586 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8702 -13.8702 -13.5567 -13.5567 -12.6117 -12.6117 -12.1831 -12.1831 -12.1330 -12.1330 -12.0623 -12.0623 -9.4902 -9.4902 -8.7262 -8.7262 -8.6575 -8.6575 -7.3813 -7.3813 1.6329 1.6329 2.9148 2.9148 3.6202 3.6202 3.6282 3.6282 4.7393 4.7393 4.7514 4.7514 4.8554 4.8554 4.9653 4.9653 5.0021 5.0021 6.6169 6.6169 7.4102 7.4102 7.4398 7.4398 11.7153 11.7153 12.9563 12.9563 13.0229 13.0229 13.0237 13.0237 13.3269 13.3269 k = 0.0000 0.0000 0.2151 ( 3574 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8700 -13.8700 -13.5568 -13.5568 -12.6115 -12.6115 -12.1835 -12.1835 -12.1330 -12.1330 -12.0623 -12.0623 -9.4870 -9.4870 -8.7254 -8.7254 -8.6632 -8.6632 -7.3792 -7.3792 1.6322 1.6322 2.9145 2.9145 3.6183 3.6183 3.6263 3.6263 4.7573 4.7573 4.7671 4.7671 4.8576 4.8576 4.9495 4.9495 4.9883 4.9883 6.6142 6.6142 7.4098 7.4098 7.4392 7.4392 11.7198 11.7198 12.9590 12.9590 13.0240 13.0240 13.0250 13.0250 13.3316 13.3316 k = 0.0000 0.0000 0.2264 ( 3574 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8700 -13.8700 -13.5568 -13.5568 -12.6115 -12.6115 -12.1837 -12.1837 -12.1330 -12.1330 -12.0623 -12.0623 -9.4859 -9.4859 -8.7250 -8.7250 -8.6652 -8.6652 -7.3785 -7.3785 1.6319 1.6319 2.9144 2.9144 3.6176 3.6176 3.6256 3.6256 4.7641 4.7641 4.7729 4.7729 4.8582 4.8582 4.9436 4.9436 4.9832 4.9832 6.6133 6.6133 7.4096 7.4096 7.4390 7.4390 11.7213 11.7213 12.9599 12.9599 13.0243 13.0243 13.0254 13.0254 13.3332 13.3332 k = 0.0000 0.0000 0.2264 ( 3574 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8700 -13.8700 -13.5568 -13.5568 -12.6115 -12.6115 -12.1837 -12.1837 -12.1330 -12.1330 -12.0623 -12.0623 -9.4859 -9.4859 -8.7250 -8.7250 -8.6652 -8.6652 -7.3785 -7.3785 1.6319 1.6319 2.9144 2.9144 3.6176 3.6176 3.6256 3.6256 4.7641 4.7641 4.7729 4.7729 4.8582 4.8582 4.9436 4.9436 4.9832 4.9832 6.6133 6.6133 7.4096 7.4096 7.4390 7.4390 11.7213 11.7213 12.9599 12.9599 13.0243 13.0243 13.0254 13.0254 13.3332 13.3332 k = 0.0102 0.0059 0.2264 ( 3570 PWs) bands (ev): -32.6680 -32.6680 -32.6208 -32.6208 -13.8702 -13.8702 -13.5571 -13.5571 -12.6119 -12.6119 -12.1842 -12.1842 -12.1335 -12.1335 -12.0629 -12.0629 -9.4855 -9.4855 -8.7238 -8.7238 -8.6641 -8.6641 -7.3788 -7.3788 1.6313 1.6313 2.9139 2.9139 3.6179 3.6179 3.6259 3.6259 4.7562 4.7562 4.7708 4.7708 4.8708 4.8708 4.9436 4.9436 4.9830 4.9830 6.6128 6.6128 7.4083 7.4083 7.4378 7.4378 11.7234 11.7234 12.9574 12.9574 13.0234 13.0234 13.0247 13.0247 13.3309 13.3309 k = 0.0204 0.0118 0.2264 ( 3570 PWs) bands (ev): -32.6678 -32.6678 -32.6207 -32.6207 -13.8706 -13.8706 -13.5581 -13.5581 -12.6130 -12.6130 -12.1857 -12.1857 -12.1351 -12.1351 -12.0647 -12.0647 -9.4845 -9.4845 -8.7201 -8.7201 -8.6609 -8.6609 -7.3795 -7.3795 1.6293 1.6293 2.9123 2.9123 3.6189 3.6189 3.6268 3.6268 4.7338 4.7338 4.7731 4.7731 4.8984 4.8984 4.9438 4.9438 4.9826 4.9826 6.6112 6.6112 7.4044 7.4044 7.4342 7.4342 11.7299 11.7299 12.9486 12.9486 13.0214 13.0214 13.0232 13.0232 13.3248 13.3248 k = 0.0306 0.0177 0.2264 ( 3570 PWs) bands (ev): -32.6675 -32.6675 -32.6206 -32.6206 -13.8714 -13.8714 -13.5597 -13.5597 -12.6149 -12.6149 -12.1882 -12.1882 -12.1376 -12.1376 -12.0677 -12.0677 -9.4827 -9.4827 -8.7140 -8.7140 -8.6554 -8.6554 -7.3807 -7.3807 1.6261 1.6261 2.9096 2.9096 3.6203 3.6203 3.6281 3.6281 4.7076 4.7076 4.7783 4.7783 4.9285 4.9285 4.9475 4.9475 4.9821 4.9821 6.6086 6.6086 7.3973 7.3973 7.4290 7.4290 11.7405 11.7405 12.9314 12.9314 13.0197 13.0197 13.0222 13.0222 13.3165 13.3165 k = 0.0408 0.0236 0.2264 ( 3568 PWs) bands (ev): -32.6671 -32.6671 -32.6203 -32.6203 -13.8725 -13.8725 -13.5619 -13.5619 -12.6175 -12.6175 -12.1921 -12.1921 -12.1408 -12.1408 -12.0717 -12.0717 -9.4803 -9.4803 -8.7055 -8.7055 -8.6478 -8.6478 -7.3823 -7.3823 1.6217 1.6217 2.9060 2.9060 3.6221 3.6221 3.6299 3.6299 4.6813 4.6813 4.7856 4.7856 4.9382 4.9382 4.9726 4.9726 4.9838 4.9838 6.6048 6.6048 7.3864 7.3864 7.4228 7.4228 11.7551 11.7551 12.9053 12.9053 13.0155 13.0155 13.0257 13.0257 13.3080 13.3080 k = 0.0510 0.0295 0.2264 ( 3572 PWs) bands (ev): -32.6666 -32.6666 -32.6200 -32.6200 -13.8739 -13.8739 -13.5647 -13.5647 -12.6208 -12.6208 -12.1974 -12.1974 -12.1445 -12.1445 -12.0767 -12.0767 -9.4774 -9.4774 -8.6949 -8.6949 -8.6380 -8.6380 -7.3844 -7.3844 1.6162 1.6162 2.9014 2.9014 3.6242 3.6242 3.6319 3.6319 4.6559 4.6559 4.7949 4.7949 4.9386 4.9386 4.9796 4.9796 5.0148 5.0148 6.5999 6.5999 7.3714 7.3714 7.4160 7.4160 11.7735 11.7735 12.8722 12.8722 13.0090 13.0090 13.0328 13.0328 13.3007 13.3007 k = 0.0612 0.0353 0.2264 ( 3568 PWs) bands (ev): -32.6660 -32.6660 -32.6196 -32.6196 -13.8756 -13.8756 -13.5682 -13.5682 -12.6249 -12.6249 -12.2042 -12.2042 -12.1486 -12.1486 -12.0825 -12.0825 -9.4739 -9.4739 -8.6821 -8.6821 -8.6260 -8.6260 -7.3869 -7.3869 1.6099 1.6099 2.8960 2.8960 3.6261 3.6261 3.6344 3.6344 4.6318 4.6318 4.8061 4.8061 4.9384 4.9384 4.9800 4.9800 5.0553 5.0553 6.5939 6.5939 7.3525 7.3525 7.4087 7.4087 11.7955 11.7955 12.8342 12.8342 13.0000 13.0000 13.0428 13.0428 13.2956 13.2956 k = 0.0714 0.0412 0.2264 ( 3572 PWs) bands (ev): -32.6653 -32.6653 -32.6192 -32.6192 -13.8776 -13.8776 -13.5724 -13.5724 -12.6298 -12.6298 -12.2127 -12.2127 -12.1530 -12.1530 -12.0889 -12.0889 -9.4701 -9.4701 -8.6673 -8.6673 -8.6118 -8.6118 -7.3898 -7.3898 1.6027 1.6027 2.8899 2.8899 3.6272 3.6272 3.6374 3.6374 4.6091 4.6091 4.8188 4.8188 4.9385 4.9385 4.9808 4.9808 5.0974 5.0974 6.5866 6.5866 7.3300 7.3300 7.4009 7.4009 11.8206 11.8206 12.7933 12.7933 12.9884 12.9884 13.0550 13.0550 13.2934 13.2934 k = 0.0816 0.0471 0.2264 ( 3570 PWs) bands (ev): -32.6645 -32.6645 -32.6187 -32.6187 -13.8800 -13.8800 -13.5772 -13.5772 -12.6353 -12.6353 -12.2229 -12.2229 -12.1576 -12.1576 -12.0956 -12.0956 -9.4659 -9.4659 -8.6507 -8.6507 -8.5955 -8.5955 -7.3932 -7.3932 1.5950 1.5950 2.8833 2.8833 3.6271 3.6271 3.6411 3.6411 4.5880 4.5880 4.8327 4.8327 4.9395 4.9395 4.9827 4.9827 5.1405 5.1405 6.5782 6.5782 7.3042 7.3042 7.3924 7.3924 11.8485 11.8485 12.7511 12.7511 12.9741 12.9741 13.0691 13.0691 13.2945 13.2945 k = 0.0918 0.0530 0.2264 ( 3566 PWs) bands (ev): -32.6635 -32.6635 -32.6181 -32.6181 -13.8827 -13.8827 -13.5827 -13.5827 -12.6415 -12.6415 -12.2346 -12.2346 -12.1624 -12.1624 -12.1024 -12.1024 -9.4615 -9.4615 -8.6324 -8.6324 -8.5772 -8.5772 -7.3969 -7.3969 1.5869 1.5869 2.8762 2.8762 3.6253 3.6253 3.6453 3.6453 4.5683 4.5683 4.8473 4.8473 4.9417 4.9417 4.9860 4.9860 5.1841 5.1841 6.5684 6.5684 7.2755 7.2755 7.3833 7.3833 11.8784 11.8784 12.7093 12.7093 12.9575 12.9575 13.0850 13.0850 13.2989 13.2989 k = 0.1020 0.0589 0.2264 ( 3566 PWs) bands (ev): -32.6625 -32.6625 -32.6175 -32.6175 -13.8858 -13.8858 -13.5889 -13.5889 -12.6485 -12.6485 -12.2478 -12.2478 -12.1678 -12.1678 -12.1091 -12.1091 -9.4570 -9.4570 -8.6127 -8.6127 -8.5568 -8.5568 -7.4009 -7.4009 1.5785 1.5785 2.8688 2.8688 3.6216 3.6216 3.6500 3.6500 4.5502 4.5502 4.8618 4.8618 4.9458 4.9458 4.9914 4.9914 5.2281 5.2281 6.5574 6.5574 7.2442 7.2442 7.3734 7.3734 11.9098 11.9098 12.6689 12.6689 12.9388 12.9388 13.1023 13.1023 13.3066 13.3066 k = 0.1122 0.0648 0.2264 ( 3568 PWs) bands (ev): -32.6614 -32.6614 -32.6168 -32.6168 -13.8892 -13.8892 -13.5957 -13.5957 -12.6560 -12.6560 -12.2622 -12.2622 -12.1737 -12.1737 -12.1153 -12.1153 -9.4524 -9.4524 -8.5916 -8.5916 -8.5346 -8.5346 -7.4053 -7.4053 1.5701 1.5701 2.8613 2.8613 3.6155 3.6155 3.6551 3.6551 4.5334 4.5334 4.8756 4.8756 4.9518 4.9518 4.9996 4.9996 5.2722 5.2722 6.5450 6.5450 7.2108 7.2108 7.3629 7.3629 11.9418 11.9418 12.6312 12.6312 12.9185 12.9185 13.1211 13.1211 13.3174 13.3174 k = 0.1224 0.0707 0.2264 ( 3572 PWs) bands (ev): -32.6602 -32.6602 -32.6161 -32.6161 -13.8930 -13.8930 -13.6032 -13.6032 -12.6641 -12.6641 -12.2778 -12.2778 -12.1803 -12.1803 -12.1209 -12.1209 -9.4478 -9.4478 -8.5692 -8.5692 -8.5106 -8.5106 -7.4099 -7.4099 1.5618 1.5618 2.8538 2.8538 3.6069 3.6069 3.6605 3.6605 4.5182 4.5182 4.8880 4.8880 4.9597 4.9597 5.0117 5.0117 5.3160 5.3160 6.5314 6.5314 7.1755 7.1755 7.3518 7.3518 11.9734 11.9734 12.5974 12.5974 12.8972 12.8972 13.1414 13.1414 13.3309 13.3309 k = 0.1327 0.0766 0.2264 ( 3572 PWs) bands (ev): -32.6589 -32.6589 -32.6153 -32.6153 -13.8972 -13.8972 -13.6115 -13.6115 -12.6728 -12.6728 -12.2942 -12.2942 -12.1875 -12.1875 -12.1258 -12.1258 -9.4433 -9.4433 -8.5458 -8.5458 -8.4850 -8.4850 -7.4147 -7.4147 1.5538 1.5538 2.8464 2.8464 3.5955 3.5955 3.6661 3.6661 4.5044 4.5044 4.8985 4.8985 4.9692 4.9692 5.0284 5.0284 5.3595 5.3595 6.5164 6.5164 7.1387 7.1387 7.3400 7.3400 12.0033 12.0033 12.5688 12.5688 12.8752 12.8752 13.1631 13.1631 13.3469 13.3469 k = 0.1429 0.0825 0.2264 ( 3564 PWs) bands (ev): -32.6575 -32.6575 -32.6145 -32.6145 -13.9017 -13.9017 -13.6204 -13.6204 -12.6820 -12.6820 -12.3115 -12.3115 -12.1953 -12.1953 -12.1301 -12.1301 -9.4389 -9.4389 -8.5214 -8.5214 -8.4581 -8.4581 -7.4198 -7.4198 1.5464 1.5464 2.8394 2.8394 3.5812 3.5812 3.6719 3.6719 4.4921 4.4921 4.9074 4.9074 4.9799 4.9799 5.0498 5.0498 5.4023 5.4023 6.5002 6.5002 7.1008 7.1008 7.3278 7.3278 12.0301 12.0301 12.5466 12.5466 12.8530 12.8530 13.1863 13.1863 13.3651 13.3651 k = 0.1531 0.0884 0.2264 ( 3572 PWs) bands (ev): -32.6561 -32.6561 -32.6136 -32.6136 -13.9067 -13.9067 -13.6300 -13.6300 -12.6915 -12.6915 -12.3294 -12.3294 -12.2033 -12.2033 -12.1338 -12.1338 -9.4347 -9.4347 -8.4962 -8.4962 -8.4299 -8.4299 -7.4250 -7.4250 1.5395 1.5395 2.8328 2.8328 3.5637 3.5637 3.6777 3.6777 4.4812 4.4812 4.9149 4.9149 4.9919 4.9919 5.0754 5.0754 5.4442 5.4442 6.4829 6.4829 7.0620 7.0620 7.3150 7.3150 12.0524 12.0524 12.5321 12.5321 12.8307 12.8307 13.2109 13.2109 13.3853 13.3853 k = 0.1633 0.0943 0.2264 ( 3582 PWs) bands (ev): -32.6546 -32.6546 -32.6127 -32.6127 -13.9120 -13.9120 -13.6403 -13.6403 -12.7014 -12.7014 -12.3478 -12.3478 -12.2116 -12.2116 -12.1369 -12.1369 -9.4308 -9.4308 -8.4703 -8.4703 -8.4008 -8.4008 -7.4302 -7.4302 1.5334 1.5334 2.8268 2.8268 3.5432 3.5432 3.6835 3.6835 4.4719 4.4719 4.9214 4.9214 5.0054 5.0054 5.1045 5.1045 5.4848 5.4848 6.4645 6.4645 7.0229 7.0229 7.3018 7.3018 12.0691 12.0691 12.5262 12.5262 12.8087 12.8087 13.2365 13.2365 13.4072 13.4072 k = 0.1735 0.1002 0.2264 ( 3586 PWs) bands (ev): -32.6530 -32.6530 -32.6118 -32.6118 -13.9177 -13.9177 -13.6513 -13.6513 -12.7115 -12.7115 -12.3665 -12.3665 -12.2198 -12.2198 -12.1397 -12.1397 -9.4271 -9.4271 -8.4437 -8.4437 -8.3709 -8.3709 -7.4355 -7.4355 1.5282 1.5282 2.8215 2.8215 3.5197 3.5197 3.6892 3.6892 4.4641 4.4641 4.9272 4.9272 5.0203 5.0203 5.1366 5.1366 5.5239 5.5239 6.4453 6.4453 6.9836 6.9836 7.2882 7.2882 12.0798 12.0798 12.5292 12.5292 12.7872 12.7872 13.2627 13.2627 13.4308 13.4308 k = 0.1837 0.1060 0.2264 ( 3584 PWs) bands (ev): -32.6513 -32.6513 -32.6109 -32.6109 -13.9237 -13.9237 -13.6629 -13.6629 -12.7218 -12.7218 -12.3855 -12.3855 -12.2279 -12.2279 -12.1422 -12.1422 -9.4236 -9.4236 -8.4167 -8.4167 -8.3404 -8.3404 -7.4407 -7.4407 1.5240 1.5240 2.8170 2.8170 3.4933 3.4933 3.6948 3.6948 4.4578 4.4578 4.9325 4.9325 5.0366 5.0366 5.1711 5.1711 5.5611 5.5611 6.4255 6.4255 6.9446 6.9446 7.2744 7.2744 12.0848 12.0848 12.5403 12.5403 12.7663 12.7663 13.2888 13.2888 13.4556 13.4556 k = 0.1939 0.1119 0.2264 ( 3584 PWs) bands (ev): -32.6496 -32.6496 -32.6099 -32.6099 -13.9301 -13.9301 -13.6752 -13.6752 -12.7321 -12.7321 -12.4047 -12.4047 -12.2357 -12.2357 -12.1445 -12.1445 -9.4204 -9.4204 -8.3894 -8.3894 -8.3096 -8.3096 -7.4459 -7.4459 1.5208 1.5208 2.8134 2.8134 3.4644 3.4644 3.7003 3.7003 4.4529 4.4529 4.9375 4.9375 5.0538 5.0538 5.2077 5.2077 5.5961 5.5961 6.4055 6.4055 6.9062 6.9062 7.2602 7.2602 12.0852 12.0852 12.5583 12.5583 12.7463 12.7463 13.3137 13.3137 13.4811 13.4811 k = 0.2041 0.1178 0.2264 ( 3584 PWs) bands (ev): -32.6479 -32.6479 -32.6089 -32.6089 -13.9368 -13.9368 -13.6881 -13.6881 -12.7424 -12.7424 -12.4239 -12.4239 -12.2431 -12.2431 -12.1466 -12.1466 -9.4176 -9.4176 -8.3619 -8.3619 -8.2787 -8.2787 -7.4508 -7.4508 1.5189 1.5189 2.8108 2.8108 3.4330 3.4330 3.7056 3.7056 4.4493 4.4493 4.9423 4.9423 5.0717 5.0717 5.2461 5.2461 5.6284 5.6284 6.3857 6.3857 6.8687 6.8687 7.2459 7.2459 12.0827 12.0827 12.5813 12.5813 12.7272 12.7272 13.3364 13.3364 13.5069 13.5069 k = 0.2143 0.1237 0.2264 ( 3576 PWs) bands (ev): -32.6461 -32.6461 -32.6079 -32.6079 -13.9438 -13.9438 -13.7015 -13.7015 -12.7525 -12.7525 -12.4430 -12.4430 -12.2501 -12.2501 -12.1486 -12.1486 -9.4149 -9.4149 -8.3344 -8.3344 -8.2478 -8.2478 -7.4554 -7.4554 1.5181 1.5181 2.8092 2.8092 3.3995 3.3995 3.7105 3.7105 4.4471 4.4471 4.9472 4.9472 5.0897 5.0897 5.2861 5.2861 5.6577 5.6577 6.3666 6.3666 6.8323 6.8323 7.2314 7.2314 12.0787 12.0787 12.6077 12.6077 12.7091 12.7091 13.3560 13.3560 13.5327 13.5327 k = 0.2245 0.1296 0.2264 ( 3580 PWs) bands (ev): -32.6443 -32.6443 -32.6069 -32.6069 -13.9511 -13.9511 -13.7155 -13.7155 -12.7624 -12.7624 -12.4620 -12.4620 -12.2566 -12.2566 -12.1505 -12.1505 -9.4126 -9.4126 -8.3070 -8.3070 -8.2172 -8.2172 -7.4597 -7.4597 1.5186 1.5186 2.8087 2.8087 3.3643 3.3643 3.7152 3.7152 4.4460 4.4460 4.9520 4.9520 5.1074 5.1074 5.3274 5.3274 5.6833 5.6833 6.3488 6.3488 6.7974 6.7974 7.2168 7.2168 12.0743 12.0743 12.6359 12.6359 12.6924 12.6924 13.3719 13.3719 13.5584 13.5584 k = 0.2347 0.1355 0.2264 ( 3572 PWs) bands (ev): -32.6424 -32.6424 -32.6059 -32.6059 -13.9586 -13.9586 -13.7300 -13.7300 -12.7720 -12.7720 -12.4807 -12.4807 -12.2626 -12.2626 -12.1523 -12.1523 -9.4105 -9.4105 -8.2799 -8.2799 -8.1870 -8.1870 -7.4636 -7.4636 1.5204 1.5204 2.8094 2.8094 3.3276 3.3276 3.7196 3.7196 4.4459 4.4459 4.9570 4.9570 5.1244 5.1244 5.3699 5.3699 5.7050 5.7050 6.3329 6.3329 6.7641 6.7641 7.2020 7.2020 12.0706 12.0706 12.6629 12.6629 12.6791 12.6791 13.3840 13.3840 13.5838 13.5838 k = 0.2449 0.1414 0.2264 ( 3576 PWs) bands (ev): -32.6405 -32.6405 -32.6049 -32.6049 -13.9664 -13.9664 -13.7449 -13.7449 -12.7813 -12.7813 -12.4992 -12.4992 -12.2681 -12.2681 -12.1541 -12.1541 -9.4087 -9.4087 -8.2532 -8.2532 -8.1574 -8.1574 -7.4669 -7.4669 1.5234 1.5234 2.8111 2.8111 3.2899 3.2899 3.7235 3.7235 4.4468 4.4468 4.9622 4.9622 5.1401 5.1401 5.4135 5.4135 5.7223 5.7223 6.3196 6.3196 6.7327 6.7327 7.1873 7.1873 12.0681 12.0681 12.6599 12.6599 12.6972 12.6972 13.3920 13.3920 13.6090 13.6090 k = 0.2551 0.1473 0.2264 ( 3574 PWs) bands (ev): -32.6387 -32.6387 -32.6039 -32.6039 -13.9744 -13.9744 -13.7602 -13.7602 -12.7901 -12.7901 -12.5173 -12.5173 -12.2730 -12.2730 -12.1559 -12.1559 -9.4070 -9.4070 -8.2270 -8.2270 -8.1286 -8.1286 -7.4695 -7.4695 1.5278 1.5278 2.8139 2.8139 3.2513 3.2513 3.7271 3.7271 4.4485 4.4485 4.9675 4.9675 5.1541 5.1541 5.4579 5.4579 5.7348 5.7348 6.3094 6.3094 6.7035 6.7035 7.1725 7.1725 12.0674 12.0674 12.6472 12.6472 12.7260 12.7260 13.3964 13.3964 13.6338 13.6338 k = 0.2653 0.1532 0.2264 ( 3574 PWs) bands (ev): -32.6367 -32.6367 -32.6029 -32.6029 -13.9825 -13.9825 -13.7757 -13.7757 -12.7984 -12.7984 -12.5349 -12.5349 -12.2775 -12.2775 -12.1577 -12.1577 -9.4057 -9.4057 -8.2016 -8.2016 -8.1007 -8.1007 -7.4714 -7.4714 1.5334 1.5334 2.8177 2.8177 3.2124 3.2124 3.7304 3.7304 4.4509 4.4509 4.9729 4.9729 5.1659 5.1659 5.5030 5.5030 5.7427 5.7427 6.3027 6.3027 6.6766 6.6766 7.1576 7.1576 12.0685 12.0685 12.6353 12.6353 12.7545 12.7545 13.3971 13.3971 13.6580 13.6580 k = 0.2755 0.1591 0.2264 ( 3574 PWs) bands (ev): -32.6348 -32.6348 -32.6020 -32.6020 -13.9906 -13.9906 -13.7916 -13.7916 -12.8062 -12.8062 -12.5521 -12.5521 -12.2815 -12.2815 -12.1595 -12.1595 -9.4045 -9.4045 -8.1770 -8.1770 -8.0739 -8.0739 -7.4724 -7.4724 1.5403 1.5403 2.8224 2.8224 3.1734 3.1734 3.7332 3.7332 4.4538 4.4538 4.9785 4.9785 5.1750 5.1750 5.5487 5.5487 5.7461 5.7461 6.2994 6.2994 6.6522 6.6522 7.1428 7.1428 12.0717 12.0717 12.6248 12.6248 12.7819 12.7819 13.3947 13.3947 13.6814 13.6814 k = 0.2857 0.1650 0.2264 ( 3574 PWs) bands (ev): -32.6329 -32.6329 -32.6010 -32.6010 -13.9989 -13.9989 -13.8075 -13.8075 -12.8134 -12.8134 -12.5688 -12.5688 -12.2849 -12.2849 -12.1613 -12.1613 -9.4035 -9.4035 -8.1535 -8.1535 -8.0482 -8.0482 -7.4726 -7.4726 1.5483 1.5483 2.8277 2.8277 3.1349 3.1349 3.7356 3.7356 4.4573 4.4573 4.9841 4.9841 5.1810 5.1810 5.5946 5.5946 5.7456 5.7456 6.2992 6.2992 6.6306 6.6306 7.1280 7.1280 12.0770 12.0770 12.6155 12.6155 12.8080 12.8080 13.3894 13.3894 13.7040 13.7040 k = 0.2959 0.1708 0.2264 ( 3576 PWs) bands (ev): -32.6311 -32.6311 -32.6001 -32.6001 -14.0071 -14.0071 -13.8236 -13.8236 -12.8201 -12.8201 -12.5850 -12.5850 -12.2879 -12.2879 -12.1631 -12.1631 -9.4026 -9.4026 -8.1311 -8.1311 -8.0238 -8.0238 -7.4718 -7.4718 1.5574 1.5574 2.8334 2.8334 3.0972 3.0972 3.7377 3.7377 4.4610 4.4610 4.9899 4.9899 5.1836 5.1836 5.6407 5.6407 5.7421 5.7421 6.3018 6.3018 6.6121 6.6121 7.1132 7.1132 12.0841 12.0841 12.6076 12.6076 12.8322 12.8322 13.3817 13.3817 13.7255 13.7255 k = 0.3061 0.1767 0.2264 ( 3580 PWs) bands (ev): -32.6292 -32.6292 -32.5993 -32.5993 -14.0152 -14.0152 -13.8396 -13.8396 -12.8261 -12.8261 -12.6006 -12.6006 -12.2905 -12.2905 -12.1649 -12.1649 -9.4020 -9.4020 -8.1100 -8.1100 -8.0006 -8.0006 -7.4699 -7.4699 1.5676 1.5676 2.8389 2.8389 3.0610 3.0610 3.7394 3.7394 4.4651 4.4651 4.9957 4.9957 5.1825 5.1825 5.6860 5.6860 5.7371 5.7371 6.3061 6.3061 6.5967 6.5967 7.0983 7.0983 12.0932 12.0932 12.6011 12.6011 12.8545 12.8545 13.3723 13.3723 13.7458 13.7458 k = 0.3163 0.1826 0.2264 ( 3576 PWs) bands (ev): -32.6273 -32.6273 -32.5984 -32.5984 -14.0233 -14.0233 -13.8556 -13.8556 -12.8316 -12.8316 -12.6156 -12.6156 -12.2926 -12.2926 -12.1668 -12.1668 -9.4014 -9.4014 -8.0904 -8.0904 -7.9787 -7.9787 -7.4671 -7.4671 1.5787 1.5787 2.8433 2.8433 3.0274 3.0274 3.7408 3.7408 4.4693 4.4693 5.0015 5.0015 5.1777 5.1777 5.7197 5.7197 5.7420 5.7420 6.3117 6.3117 6.5849 6.5849 7.0835 7.0835 12.1038 12.1038 12.5960 12.5960 12.8743 12.8743 13.3617 13.3617 13.7646 13.7646 k = 0.3265 0.1885 0.2264 ( 3572 PWs) bands (ev): -32.6255 -32.6255 -32.5976 -32.5976 -14.0311 -14.0311 -13.8714 -13.8714 -12.8365 -12.8365 -12.6300 -12.6300 -12.2944 -12.2944 -12.1687 -12.1687 -9.4010 -9.4010 -8.0722 -8.0722 -7.9581 -7.9581 -7.4632 -7.4632 1.5907 1.5907 2.8451 2.8451 2.9981 2.9981 3.7418 3.7418 4.4737 4.4737 5.0072 5.0072 5.1693 5.1693 5.7168 5.7168 5.7826 5.7826 6.3175 6.3175 6.5766 6.5766 7.0687 7.0687 12.1157 12.1157 12.5922 12.5922 12.8914 12.8914 13.3508 13.3508 13.7819 13.7819 k = 0.3367 0.1944 0.2264 ( 3576 PWs) bands (ev): -32.6238 -32.6238 -32.5969 -32.5969 -14.0387 -14.0387 -13.8869 -13.8869 -12.8408 -12.8408 -12.6437 -12.6437 -12.2957 -12.2957 -12.1706 -12.1706 -9.4007 -9.4007 -8.0558 -8.0558 -7.9388 -7.9388 -7.4584 -7.4584 1.6034 1.6034 2.8417 2.8417 2.9757 2.9757 3.7426 3.7426 4.4780 4.4780 5.0127 5.0127 5.1573 5.1573 5.7088 5.7088 5.8275 5.8275 6.3232 6.3232 6.5718 6.5718 7.0538 7.0538 12.1286 12.1286 12.5897 12.5897 12.9055 12.9055 13.3402 13.3402 13.7975 13.7975 k = 0.3469 0.2003 0.2264 ( 3580 PWs) bands (ev): -32.6220 -32.6220 -32.5962 -32.5962 -14.0461 -14.0461 -13.9021 -13.9021 -12.8445 -12.8445 -12.6568 -12.6568 -12.2967 -12.2967 -12.1725 -12.1725 -9.4004 -9.4004 -8.0410 -8.0410 -7.9206 -7.9206 -7.4528 -7.4528 1.6167 1.6167 2.8307 2.8307 2.9625 2.9625 3.7430 3.7430 4.4824 4.4824 5.0181 5.0181 5.1423 5.1423 5.7004 5.7004 5.8724 5.8724 6.3282 6.3282 6.5705 6.5705 7.0389 7.0389 12.1423 12.1423 12.5884 12.5884 12.9163 12.9163 13.3307 13.3307 13.8112 13.8112 k = 0.3571 0.2062 0.2264 ( 3572 PWs) bands (ev): -32.6204 -32.6204 -32.5955 -32.5955 -14.0531 -14.0531 -13.9169 -13.9169 -12.8477 -12.8477 -12.6693 -12.6693 -12.2974 -12.2974 -12.1744 -12.1744 -9.4003 -9.4003 -8.0279 -8.0279 -7.9036 -7.9036 -7.4464 -7.4464 1.6305 1.6305 2.8120 2.8120 2.9587 2.9587 3.7433 3.7433 4.4868 4.4868 5.0232 5.0232 5.1247 5.1247 5.6922 5.6922 5.9167 5.9167 6.3325 6.3325 6.5722 6.5722 7.0239 7.0239 12.1562 12.1562 12.5882 12.5882 12.9237 12.9237 13.3229 13.3229 13.8231 13.8231 k = 0.3673 0.2121 0.2264 ( 3568 PWs) bands (ev): -32.6188 -32.6188 -32.5949 -32.5949 -14.0597 -14.0597 -13.9311 -13.9311 -12.8504 -12.8504 -12.6810 -12.6810 -12.2978 -12.2978 -12.1763 -12.1763 -9.4002 -9.4002 -8.0165 -8.0165 -7.8878 -7.8878 -7.4395 -7.4395 1.6445 1.6445 2.7883 2.7883 2.9617 2.9617 3.7433 3.7433 4.4911 4.4911 5.0278 5.0278 5.1052 5.1052 5.6843 5.6843 5.9600 5.9600 6.3361 6.3361 6.5766 6.5766 7.0089 7.0089 12.1701 12.1701 12.5891 12.5891 12.9280 12.9280 13.3173 13.3173 13.8330 13.8330 k = 0.3776 0.2180 0.2264 ( 3560 PWs) bands (ev): -32.6172 -32.6172 -32.5943 -32.5943 -14.0658 -14.0658 -13.9448 -13.9448 -12.8526 -12.8526 -12.6921 -12.6921 -12.2980 -12.2980 -12.1782 -12.1782 -9.4001 -9.4001 -8.0068 -8.0068 -7.8729 -7.8729 -7.4321 -7.4321 1.6587 1.6587 2.7623 2.7623 2.9686 2.9686 3.7432 3.7432 4.4954 4.4954 5.0314 5.0314 5.0848 5.0848 5.6769 5.6769 6.0022 6.0022 6.3391 6.3391 6.5829 6.5829 6.9939 6.9939 12.1835 12.1835 12.5909 12.5909 12.9293 12.9293 13.3140 13.3140 13.8410 13.8410 k = 0.3878 0.2239 0.2264 ( 3550 PWs) bands (ev): -32.6158 -32.6158 -32.5938 -32.5938 -14.0715 -14.0715 -13.9578 -13.9578 -12.8543 -12.8543 -12.7025 -12.7025 -12.2979 -12.2979 -12.1801 -12.1801 -9.4001 -9.4001 -7.9985 -7.9985 -7.8592 -7.8592 -7.4246 -7.4246 1.6729 1.6729 2.7359 2.7359 2.9776 2.9776 3.7430 3.7430 4.4995 4.4995 5.0324 5.0324 5.0657 5.0657 5.6700 5.6700 6.0429 6.0429 6.3416 6.3416 6.5906 6.5906 6.9790 6.9790 12.1961 12.1961 12.5936 12.5936 12.9284 12.9284 13.3129 13.3129 13.8471 13.8471 k = 0.3980 0.2298 0.2264 ( 3562 PWs) bands (ev): -32.6144 -32.6144 -32.5934 -32.5934 -14.0767 -14.0767 -13.9701 -13.9701 -12.8556 -12.8556 -12.7122 -12.7122 -12.2977 -12.2977 -12.1819 -12.1819 -9.4001 -9.4001 -7.9916 -7.9916 -7.8465 -7.8465 -7.4170 -7.4170 1.6868 1.6868 2.7101 2.7101 2.9876 2.9876 3.7426 3.7426 4.5036 4.5036 5.0245 5.0245 5.0546 5.0546 5.6636 5.6636 6.0820 6.0820 6.3439 6.3439 6.5992 6.5992 6.9641 6.9641 12.2075 12.2075 12.5969 12.5969 12.9260 12.9260 13.3136 13.3136 13.8514 13.8514 k = 0.4082 0.2357 0.2264 ( 3558 PWs) bands (ev): -32.6131 -32.6131 -32.5930 -32.5930 -14.0813 -14.0813 -13.9816 -13.9816 -12.8566 -12.8566 -12.7211 -12.7211 -12.2973 -12.2973 -12.1837 -12.1837 -9.4002 -9.4002 -7.9860 -7.9860 -7.8349 -7.8349 -7.4095 -7.4095 1.7004 1.7004 2.6855 2.6855 2.9980 2.9980 3.7422 3.7422 4.5077 4.5077 5.0065 5.0065 5.0535 5.0535 5.6576 5.6576 6.1192 6.1192 6.3460 6.3460 6.6082 6.6082 6.9494 6.9494 12.2175 12.2175 12.6007 12.6007 12.9227 12.9227 13.3158 13.3158 13.8542 13.8542 k = 0.4184 0.2415 0.2264 ( 3568 PWs) bands (ev): -32.6120 -32.6120 -32.5927 -32.5927 -14.0854 -14.0854 -13.9922 -13.9922 -12.8572 -12.8572 -12.7292 -12.7292 -12.2968 -12.2968 -12.1854 -12.1854 -9.4002 -9.4002 -7.9814 -7.9814 -7.8244 -7.8244 -7.4024 -7.4024 1.7133 1.7133 2.6626 2.6626 3.0082 3.0082 3.7418 3.7418 4.5117 4.5117 4.9855 4.9855 5.0555 5.0555 5.6522 5.6522 6.1541 6.1541 6.3481 6.3481 6.6171 6.6171 6.9351 6.9351 12.2259 12.2259 12.6047 12.6047 12.9194 12.9194 13.3190 13.3190 13.8555 13.8555 k = 0.4286 0.2474 0.2264 ( 3568 PWs) bands (ev): -32.6109 -32.6109 -32.5924 -32.5924 -14.0889 -14.0889 -14.0019 -14.0019 -12.8575 -12.8575 -12.7366 -12.7366 -12.2963 -12.2963 -12.1869 -12.1869 -9.4003 -9.4003 -7.9777 -7.9777 -7.8151 -7.8151 -7.3957 -7.3957 1.7253 1.7253 2.6417 2.6417 3.0180 3.0180 3.7413 3.7413 4.5155 4.5155 4.9647 4.9647 5.0580 5.0580 5.6473 5.6473 6.1864 6.1864 6.3501 6.3501 6.6257 6.6257 6.9212 6.9212 12.2327 12.2327 12.6090 12.6090 12.9164 12.9164 13.3227 13.3227 13.8558 13.8558 k = 0.4388 0.2533 0.2264 ( 3576 PWs) bands (ev): -32.6099 -32.6099 -32.5922 -32.5922 -14.0919 -14.0919 -14.0105 -14.0105 -12.8575 -12.8575 -12.7431 -12.7431 -12.2957 -12.2957 -12.1884 -12.1884 -9.4004 -9.4004 -7.9749 -7.9749 -7.8069 -7.8069 -7.3897 -7.3897 1.7364 1.7364 2.6230 2.6230 3.0270 3.0270 3.7409 3.7409 4.5193 4.5193 4.9452 4.9452 5.0605 5.0605 5.6429 5.6429 6.2156 6.2156 6.3522 6.3522 6.6336 6.6336 6.9081 6.9081 12.2379 12.2379 12.6131 12.6131 12.9140 12.9140 13.3265 13.3265 13.8552 13.8552 k = 0.4490 0.2592 0.2264 ( 3574 PWs) bands (ev): -32.6091 -32.6091 -32.5920 -32.5920 -14.0943 -14.0943 -14.0180 -14.0180 -12.8574 -12.8574 -12.7488 -12.7488 -12.2952 -12.2952 -12.1896 -12.1896 -9.4005 -9.4005 -7.9727 -7.9727 -7.7999 -7.7999 -7.3843 -7.3843 1.7461 1.7461 2.6068 2.6068 3.0350 3.0350 3.7404 3.7404 4.5228 4.5228 4.9275 4.9275 5.0627 5.0627 5.6392 5.6392 6.2414 6.2414 6.3542 6.3542 6.6406 6.6406 6.8961 6.8961 12.2417 12.2417 12.6170 12.6170 12.9124 12.9124 13.3303 13.3303 13.8540 13.8540 k = 0.4592 0.2651 0.2264 ( 3592 PWs) bands (ev): -32.6084 -32.6084 -32.5918 -32.5918 -14.0962 -14.0962 -14.0244 -14.0244 -12.8573 -12.8573 -12.7535 -12.7535 -12.2947 -12.2947 -12.1907 -12.1907 -9.4006 -9.4006 -7.9710 -7.9710 -7.7942 -7.7942 -7.3798 -7.3798 1.7545 1.7545 2.5933 2.5933 3.0418 3.0418 3.7401 3.7401 4.5259 4.5259 4.9122 4.9122 5.0646 5.0646 5.6361 5.6361 6.2632 6.2632 6.3562 6.3562 6.6465 6.6465 6.8855 6.8855 12.2442 12.2442 12.6205 12.6205 12.9115 12.9115 13.3335 13.3335 13.8526 13.8526 k = 0.4694 0.2710 0.2264 ( 3582 PWs) bands (ev): -32.6079 -32.6079 -32.5917 -32.5917 -14.0976 -14.0976 -14.0294 -14.0294 -12.8570 -12.8570 -12.7573 -12.7573 -12.2942 -12.2942 -12.1916 -12.1916 -9.4006 -9.4006 -7.9698 -7.9698 -7.7897 -7.7897 -7.3763 -7.3763 1.7611 1.7611 2.5826 2.5826 3.0473 3.0473 3.7397 3.7397 4.5286 4.5286 4.8997 4.8997 5.0661 5.0661 5.6336 5.6336 6.2806 6.2806 6.3581 6.3581 6.6513 6.6513 6.8766 6.8766 12.2459 12.2459 12.6234 12.6234 12.9112 12.9112 13.3363 13.3363 13.8512 13.8512 k = 0.4796 0.2769 0.2264 ( 3572 PWs) bands (ev): -32.6075 -32.6075 -32.5917 -32.5917 -14.0985 -14.0985 -14.0330 -14.0330 -12.8568 -12.8568 -12.7600 -12.7600 -12.2939 -12.2939 -12.1922 -12.1922 -9.4006 -9.4006 -7.9690 -7.9690 -7.7865 -7.7865 -7.3737 -7.3737 1.7660 1.7660 2.5748 2.5748 3.0513 3.0513 3.7395 3.7395 4.5306 4.5306 4.8906 4.8906 5.0672 5.0672 5.6319 5.6319 6.2931 6.2931 6.3597 6.3597 6.6547 6.6547 6.8700 6.8700 12.2469 12.2469 12.6255 12.6255 12.9111 12.9111 13.3383 13.3383 13.8500 13.8500 k = 0.4898 0.2828 0.2264 ( 3572 PWs) bands (ev): -32.6073 -32.6073 -32.5916 -32.5916 -14.0991 -14.0991 -14.0353 -14.0353 -12.8566 -12.8566 -12.7617 -12.7617 -12.2937 -12.2937 -12.1926 -12.1926 -9.4007 -9.4007 -7.9685 -7.9685 -7.7846 -7.7846 -7.3721 -7.3721 1.7690 1.7690 2.5701 2.5701 3.0537 3.0537 3.7394 3.7394 4.5319 4.5319 4.8849 4.8849 5.0678 5.0678 5.6308 5.6308 6.3007 6.3007 6.3609 6.3609 6.6568 6.6568 6.8658 6.8658 12.2473 12.2473 12.6269 12.6269 12.9112 12.9112 13.3396 13.3396 13.8492 13.8492 k = 0.5000 0.2887 0.2264 ( 3568 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0992 -14.0992 -14.0360 -14.0360 -12.8566 -12.8566 -12.7622 -12.7622 -12.2936 -12.2936 -12.1927 -12.1927 -9.4007 -9.4007 -7.9684 -7.9684 -7.7839 -7.7839 -7.3715 -7.3715 1.7700 1.7700 2.5686 2.5686 3.0545 3.0545 3.7393 3.7393 4.5324 4.5324 4.8830 4.8830 5.0680 5.0680 5.6305 5.6305 6.3032 6.3032 6.3614 6.3614 6.6575 6.6575 6.8644 6.8644 12.2475 12.2475 12.6274 12.6274 12.9112 12.9112 13.3400 13.3400 13.8490 13.8490 k = 0.5000 0.2887 0.2264 ( 3568 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0992 -14.0992 -14.0360 -14.0360 -12.8566 -12.8566 -12.7622 -12.7622 -12.2936 -12.2936 -12.1927 -12.1927 -9.4007 -9.4007 -7.9684 -7.9684 -7.7839 -7.7839 -7.3715 -7.3715 1.7700 1.7700 2.5686 2.5686 3.0545 3.0545 3.7393 3.7393 4.5324 4.5324 4.8830 4.8830 5.0680 5.0680 5.6305 5.6305 6.3032 6.3032 6.3614 6.3614 6.6575 6.6575 6.8644 6.8644 12.2475 12.2475 12.6274 12.6274 12.9112 12.9112 13.3400 13.3400 13.8490 13.8490 k = 0.4943 0.2986 0.2264 ( 3580 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.1001 -14.1001 -14.0349 -14.0349 -12.8584 -12.8584 -12.7607 -12.7607 -12.2939 -12.2939 -12.1931 -12.1931 -9.4004 -9.4004 -7.9679 -7.9679 -7.7836 -7.7836 -7.3718 -7.3718 1.7702 1.7702 2.5692 2.5692 3.0548 3.0548 3.7377 3.7377 4.5325 4.5325 4.8841 4.8841 5.0684 5.0684 5.6292 5.6292 6.3040 6.3040 6.3599 6.3599 6.6577 6.6577 6.8643 6.8643 12.2455 12.2455 12.6272 12.6272 12.9097 12.9097 13.3401 13.3401 13.8533 13.8533 k = 0.4885 0.3086 0.2264 ( 3582 PWs) bands (ev): -32.6071 -32.6071 -32.5916 -32.5916 -14.1023 -14.1023 -14.0319 -14.0319 -12.8638 -12.8638 -12.7566 -12.7566 -12.2950 -12.2950 -12.1943 -12.1943 -9.3995 -9.3995 -7.9662 -7.9662 -7.7825 -7.7825 -7.3725 -7.3725 1.7706 1.7706 2.5712 2.5712 3.0557 3.0557 3.7330 3.7330 4.5328 4.5328 4.8875 4.8875 5.0695 5.0695 5.6253 5.6253 6.3065 6.3065 6.3557 6.3557 6.6582 6.6582 6.8642 6.8642 12.2395 12.2395 12.6269 12.6269 12.9052 12.9052 13.3406 13.3406 13.8660 13.8660 k = 0.4828 0.3185 0.2264 ( 3582 PWs) bands (ev): -32.6070 -32.6070 -32.5916 -32.5916 -14.1058 -14.1058 -14.0273 -14.0273 -12.8718 -12.8718 -12.7505 -12.7505 -12.2967 -12.2967 -12.1963 -12.1963 -9.3981 -9.3981 -7.9635 -7.9635 -7.7807 -7.7807 -7.3737 -7.3737 1.7713 1.7713 2.5746 2.5746 3.0572 3.0572 3.7251 3.7251 4.5334 4.5334 4.8932 4.8932 5.0714 5.0714 5.6190 5.6190 6.3095 6.3095 6.3497 6.3497 6.6592 6.6592 6.8639 6.8639 12.2295 12.2295 12.6263 12.6263 12.8982 12.8982 13.3412 13.3412 13.8867 13.8867 k = 0.4770 0.3285 0.2264 ( 3582 PWs) bands (ev): -32.6068 -32.6068 -32.5915 -32.5915 -14.1099 -14.1099 -14.0214 -14.0214 -12.8820 -12.8820 -12.7430 -12.7430 -12.2991 -12.2991 -12.1991 -12.1991 -9.3961 -9.3961 -7.9598 -7.9598 -7.7782 -7.7782 -7.3753 -7.3753 1.7723 1.7723 2.5792 2.5792 3.0592 3.0592 3.7143 3.7143 4.5344 4.5344 4.9010 4.9010 5.0738 5.0738 5.6105 5.6105 6.3106 6.3106 6.3443 6.3443 6.6605 6.6605 6.8635 6.8635 12.2157 12.2157 12.6256 12.6256 12.8895 12.8895 13.3417 13.3417 13.9143 13.9143 k = 0.4713 0.3384 0.2264 ( 3584 PWs) bands (ev): -32.6066 -32.6066 -32.5915 -32.5915 -14.1146 -14.1146 -14.0146 -14.0146 -12.8936 -12.8936 -12.7348 -12.7348 -12.3022 -12.3022 -12.2026 -12.2026 -9.3936 -9.3936 -7.9552 -7.9552 -7.7749 -7.7749 -7.3774 -7.3774 1.7736 1.7736 2.5851 2.5851 3.0618 3.0618 3.7006 3.7006 4.5357 4.5357 4.9108 4.9108 5.0767 5.0767 5.5999 5.5999 6.3047 6.3047 6.3445 6.3445 6.6622 6.6622 6.8629 6.8629 12.1983 12.1983 12.6249 12.6249 12.8798 12.8798 13.3419 13.3419 13.9479 13.9479 k = 0.4655 0.3484 0.2264 ( 3584 PWs) bands (ev): -32.6063 -32.6063 -32.5915 -32.5915 -14.1194 -14.1194 -14.0071 -14.0071 -12.9064 -12.9064 -12.7261 -12.7261 -12.3059 -12.3059 -12.2067 -12.2067 -9.3906 -9.3906 -7.9496 -7.9496 -7.7710 -7.7710 -7.3800 -7.3800 1.7751 1.7751 2.5924 2.5924 3.0650 3.0650 3.6841 3.6841 4.5376 4.5376 4.9225 4.9225 5.0801 5.0801 5.5875 5.5875 6.2909 6.2909 6.3510 6.3510 6.6643 6.6643 6.8621 6.8621 12.1774 12.1774 12.6241 12.6241 12.8698 12.8698 13.3415 13.3415 13.9865 13.9865 k = 0.4598 0.3584 0.2264 ( 3584 PWs) bands (ev): -32.6060 -32.6060 -32.5914 -32.5914 -14.1244 -14.1244 -13.9991 -13.9991 -12.9201 -12.9201 -12.7171 -12.7171 -12.3102 -12.3102 -12.2114 -12.2114 -9.3872 -9.3872 -7.9433 -7.9433 -7.7664 -7.7664 -7.3830 -7.3830 1.7770 1.7770 2.6008 2.6008 3.0686 3.0686 3.6651 3.6651 4.5400 4.5400 4.9361 4.9361 5.0837 5.0837 5.5736 5.5736 6.2721 6.2721 6.3610 6.3610 6.6668 6.6668 6.8611 6.8611 12.1533 12.1533 12.6235 12.6235 12.8599 12.8599 13.3400 13.3400 14.0290 14.0290 k = 0.4540 0.3683 0.2264 ( 3572 PWs) bands (ev): -32.6057 -32.6057 -32.5914 -32.5914 -14.1293 -14.1293 -13.9908 -13.9908 -12.9345 -12.9345 -12.7080 -12.7080 -12.3151 -12.3151 -12.2166 -12.2166 -9.3834 -9.3834 -7.9362 -7.9362 -7.7611 -7.7611 -7.3863 -7.3863 1.7791 1.7791 2.6105 2.6105 3.0728 3.0728 3.6437 3.6437 4.5431 4.5431 4.9512 4.9512 5.0875 5.0875 5.5583 5.5583 6.2498 6.2498 6.3727 6.3727 6.6698 6.6698 6.8598 6.8598 12.1266 12.1266 12.6231 12.6231 12.8508 12.8508 13.3373 13.3373 14.0744 14.0744 k = 0.4483 0.3783 0.2264 ( 3572 PWs) bands (ev): -32.6053 -32.6053 -32.5913 -32.5913 -14.1342 -14.1342 -13.9821 -13.9821 -12.9496 -12.9496 -12.6987 -12.6987 -12.3206 -12.3206 -12.2221 -12.2221 -9.3793 -9.3793 -7.9286 -7.9286 -7.7551 -7.7551 -7.3901 -7.3901 1.7815 1.7815 2.6213 2.6213 3.0774 3.0774 3.6202 3.6202 4.5471 4.5471 4.9679 4.9679 5.0912 5.0912 5.5420 5.5420 6.2248 6.2248 6.3854 6.3854 6.6732 6.6732 6.8582 6.8582 12.0975 12.0975 12.6230 12.6230 12.8425 12.8425 13.3330 13.3330 14.1217 14.1217 k = 0.4425 0.3882 0.2264 ( 3568 PWs) bands (ev): -32.6048 -32.6048 -32.5912 -32.5912 -14.1390 -14.1390 -13.9732 -13.9732 -12.9650 -12.9650 -12.6895 -12.6895 -12.3267 -12.3267 -12.2280 -12.2280 -9.3749 -9.3749 -7.9204 -7.9204 -7.7484 -7.7484 -7.3943 -7.3943 1.7842 1.7842 2.6333 2.6333 3.0824 3.0824 3.5948 3.5948 4.5520 4.5520 4.9857 4.9857 5.0948 5.0948 5.5249 5.5249 6.1975 6.1975 6.3987 6.3987 6.6771 6.6771 6.8563 6.8563 12.0667 12.0667 12.6233 12.6233 12.8351 12.8351 13.3268 13.3268 14.1700 14.1700 k = 0.4368 0.3982 0.2264 ( 3568 PWs) bands (ev): -32.6044 -32.6044 -32.5912 -32.5912 -14.1436 -14.1436 -13.9642 -13.9642 -12.9809 -12.9809 -12.6802 -12.6802 -12.3334 -12.3334 -12.2340 -12.2340 -9.3704 -9.3704 -7.9120 -7.9120 -7.7412 -7.7412 -7.3987 -7.3987 1.7871 1.7871 2.6464 2.6464 3.0879 3.0879 3.5675 3.5675 4.5579 4.5579 5.0046 5.0046 5.0982 5.0982 5.5073 5.5073 6.1681 6.1681 6.4123 6.4123 6.6815 6.6815 6.8542 6.8542 12.0345 12.0345 12.6242 12.6242 12.8288 12.8288 13.3187 13.3187 14.2185 14.2185 k = 0.4310 0.4081 0.2264 ( 3570 PWs) bands (ev): -32.6039 -32.6039 -32.5912 -32.5912 -14.1481 -14.1481 -13.9551 -13.9551 -12.9970 -12.9970 -12.6709 -12.6709 -12.3407 -12.3407 -12.2401 -12.2401 -9.3657 -9.3657 -7.9033 -7.9033 -7.7333 -7.7333 -7.4035 -7.4035 1.7903 1.7903 2.6606 2.6606 3.0936 3.0936 3.5388 3.5388 4.5648 4.5648 5.0242 5.0242 5.1014 5.1014 5.4892 5.4892 6.1369 6.1369 6.4259 6.4259 6.6863 6.6863 6.8518 6.8518 12.0015 12.0015 12.6258 12.6258 12.8234 12.8234 13.3087 13.3087 14.2658 14.2658 k = 0.4253 0.4181 0.2264 ( 3566 PWs) bands (ev): -32.6033 -32.6033 -32.5911 -32.5911 -14.1525 -14.1525 -13.9459 -13.9459 -13.0132 -13.0132 -12.6616 -12.6616 -12.3485 -12.3485 -12.2462 -12.2462 -9.3609 -9.3609 -7.8944 -7.8944 -7.7250 -7.7250 -7.4086 -7.4086 1.7937 1.7937 2.6757 2.6757 3.0996 3.0996 3.5088 3.5088 4.5729 4.5729 5.0441 5.0441 5.1045 5.1045 5.4711 5.4711 6.1042 6.1042 6.4393 6.4393 6.6915 6.6915 6.8491 6.8491 11.9681 11.9681 12.6281 12.6281 12.8188 12.8188 13.2967 13.2967 14.3107 14.3107 k = 0.4195 0.4280 0.2264 ( 3564 PWs) bands (ev): -32.6028 -32.6028 -32.5911 -32.5911 -14.1567 -14.1567 -13.9368 -13.9368 -13.0294 -13.0294 -12.6523 -12.6523 -12.3568 -12.3568 -12.2521 -12.2521 -9.3561 -9.3561 -7.8856 -7.8856 -7.7161 -7.7161 -7.4138 -7.4138 1.7974 1.7974 2.6918 2.6918 3.1059 3.1059 3.4776 3.4776 4.5821 4.5821 5.0632 5.0632 5.1082 5.1082 5.4531 5.4531 6.0702 6.0702 6.4525 6.4525 6.6972 6.6972 6.8462 6.8462 11.9348 11.9348 12.6312 12.6312 12.8147 12.8147 13.2829 13.2829 14.3509 14.3509 k = 0.4138 0.4380 0.2264 ( 3564 PWs) bands (ev): -32.6022 -32.6022 -32.5911 -32.5911 -14.1606 -14.1606 -13.9279 -13.9279 -13.0455 -13.0455 -12.6429 -12.6429 -12.3657 -12.3657 -12.2578 -12.2578 -9.3514 -9.3514 -7.8770 -7.8770 -7.7068 -7.7068 -7.4193 -7.4193 1.8012 1.8012 2.7088 2.7088 3.1123 3.1123 3.4456 3.4456 4.5925 4.5925 5.0794 5.0794 5.1143 5.1143 5.4356 5.4356 6.0352 6.0352 6.4654 6.4654 6.7031 6.7031 6.8432 6.8432 11.9019 11.9019 12.6353 12.6353 12.8112 12.8112 13.2676 13.2676 14.3841 14.3841 k = 0.4080 0.4479 0.2264 ( 3564 PWs) bands (ev): -32.6016 -32.6016 -32.5911 -32.5911 -14.1644 -14.1644 -13.9191 -13.9191 -13.0614 -13.0614 -12.6336 -12.6336 -12.3750 -12.3750 -12.2632 -12.2632 -9.3468 -9.3468 -7.8685 -7.8685 -7.6972 -7.6972 -7.4249 -7.4249 1.8053 1.8053 2.7266 2.7266 3.1188 3.1188 3.4128 3.4128 4.6041 4.6041 5.0891 5.0891 5.1259 5.1259 5.4191 5.4191 5.9993 5.9993 6.4778 6.4778 6.7094 6.7094 6.8400 6.8400 11.8699 11.8699 12.6403 12.6403 12.8080 12.8080 13.2510 13.2510 14.4099 14.4100 k = 0.4023 0.4579 0.2264 ( 3552 PWs) bands (ev): -32.6010 -32.6010 -32.5911 -32.5911 -14.1680 -14.1680 -13.9106 -13.9106 -13.0769 -13.0769 -12.6242 -12.6242 -12.3847 -12.3847 -12.2682 -12.2682 -9.3423 -9.3423 -7.8604 -7.8604 -7.6873 -7.6873 -7.4306 -7.4306 1.8094 1.8094 2.7452 2.7452 3.1253 3.1253 3.3796 3.3796 4.6167 4.6167 5.0926 5.0926 5.1421 5.1421 5.4040 5.4040 5.9628 5.9628 6.4897 6.4897 6.7158 6.7158 6.8366 6.8366 11.8391 11.8391 12.6464 12.6464 12.8050 12.8050 13.2333 13.2333 14.4300 14.4300 k = 0.3966 0.4679 0.2264 ( 3552 PWs) bands (ev): -32.6004 -32.6004 -32.5911 -32.5911 -14.1714 -14.1714 -13.9024 -13.9024 -13.0919 -13.0919 -12.6148 -12.6148 -12.3947 -12.3947 -12.2729 -12.2729 -9.3381 -9.3381 -7.8526 -7.8526 -7.6773 -7.6773 -7.4363 -7.4363 1.8136 1.8136 2.7646 2.7646 3.1318 3.1318 3.3461 3.3461 4.6303 4.6303 5.0930 5.0930 5.1591 5.1591 5.3912 5.3912 5.9259 5.9259 6.5012 6.5012 6.7222 6.7222 6.8332 6.8332 11.8097 11.8097 12.6535 12.6535 12.8021 12.8021 13.2150 13.2150 14.4470 14.4470 k = 0.3908 0.4778 0.2264 ( 3560 PWs) bands (ev): -32.5997 -32.5997 -32.5912 -32.5912 -14.1746 -14.1746 -13.8946 -13.8946 -13.1062 -13.1062 -12.6054 -12.6054 -12.4051 -12.4051 -12.2772 -12.2772 -9.3341 -9.3341 -7.8454 -7.8454 -7.6673 -7.6673 -7.4420 -7.4420 1.8178 1.8178 2.7846 2.7846 3.1382 3.1382 3.3125 3.3125 4.6447 4.6447 5.0918 5.0918 5.1743 5.1743 5.3820 5.3820 5.8888 5.8888 6.5122 6.5122 6.7287 6.7287 6.8296 6.8296 11.7820 11.7820 12.6615 12.6615 12.7991 12.7991 13.1962 13.1962 14.4626 14.4626 k = 0.3851 0.4878 0.2264 ( 3566 PWs) bands (ev): -32.5991 -32.5991 -32.5913 -32.5913 -14.1775 -14.1775 -13.8874 -13.8874 -13.1196 -13.1196 -12.5960 -12.5960 -12.4157 -12.4157 -12.2810 -12.2810 -9.3304 -9.3304 -7.8387 -7.8387 -7.6575 -7.6575 -7.4476 -7.4476 1.8220 1.8220 2.8053 2.8053 3.1444 3.1444 3.2790 3.2790 4.6596 4.6596 5.0898 5.0898 5.1857 5.1857 5.3778 5.3778 5.8517 5.8517 6.5226 6.5226 6.7350 6.7350 6.8259 6.8259 11.7563 11.7563 12.6706 12.6706 12.7960 12.7960 13.1773 13.1773 14.4778 14.4778 k = 0.3793 0.4977 0.2264 ( 3554 PWs) bands (ev): -32.5984 -32.5984 -32.5914 -32.5914 -14.1802 -14.1802 -13.8807 -13.8807 -13.1321 -13.1321 -12.5865 -12.5865 -12.4263 -12.4263 -12.2844 -12.2844 -9.3271 -9.3271 -7.8325 -7.8325 -7.6480 -7.6480 -7.4529 -7.4529 1.8261 1.8261 2.8265 2.8265 3.1502 3.1502 3.2458 3.2458 4.6749 4.6749 5.0875 5.0875 5.1916 5.1916 5.3799 5.3799 5.8147 5.8147 6.5325 6.5325 6.7412 6.7412 6.8220 6.8220 11.7328 11.7328 12.6805 12.6805 12.7926 12.7926 13.1587 13.1587 14.4929 14.4929 k = 0.3736 0.5077 0.2264 ( 3550 PWs) bands (ev): -32.5978 -32.5978 -32.5915 -32.5915 -14.1827 -14.1827 -13.8747 -13.8747 -13.1435 -13.1435 -12.5770 -12.5770 -12.4371 -12.4371 -12.2874 -12.2874 -9.3241 -9.3241 -7.8270 -7.8270 -7.6390 -7.6390 -7.4580 -7.4580 1.8301 1.8301 2.8483 2.8483 3.1557 3.1557 3.2131 3.2131 4.6902 4.6902 5.0853 5.0853 5.1916 5.1916 5.3888 5.3888 5.7782 5.7782 6.5418 6.5418 6.7471 6.7471 6.8181 6.8181 11.7117 11.7117 12.6911 12.6911 12.7891 12.7891 13.1407 13.1407 14.5081 14.5081 k = 0.3678 0.5176 0.2264 ( 3558 PWs) bands (ev): -32.5972 -32.5972 -32.5917 -32.5917 -14.1849 -14.1849 -13.8694 -13.8694 -13.1537 -13.1537 -12.5675 -12.5675 -12.4478 -12.4478 -12.2899 -12.2899 -9.3214 -9.3214 -7.8222 -7.8222 -7.6306 -7.6306 -7.4626 -7.4626 1.8338 1.8338 2.8705 2.8705 3.1605 3.1605 3.1812 3.1812 4.7049 4.7049 5.0837 5.0837 5.1864 5.1864 5.4035 5.4035 5.7423 5.7423 6.5504 6.5504 6.7528 6.7528 6.8140 6.8140 11.6930 11.6930 12.7023 12.7023 12.7852 12.7852 13.1236 13.1236 14.5235 14.5235 k = 0.3621 0.5276 0.2264 ( 3550 PWs) bands (ev): -32.5965 -32.5965 -32.5919 -32.5919 -14.1868 -14.1868 -13.8648 -13.8648 -13.1625 -13.1625 -12.5581 -12.5581 -12.4585 -12.4585 -12.2921 -12.2921 -9.3192 -9.3192 -7.8181 -7.8181 -7.6232 -7.6232 -7.4668 -7.4668 1.8371 1.8371 2.8932 2.8932 3.1491 3.1491 3.1657 3.1657 4.7186 4.7186 5.0832 5.0832 5.1775 5.1775 5.4228 5.4228 5.7072 5.7072 6.5583 6.5583 6.7582 6.7582 6.8097 6.8097 11.6771 11.6771 12.7136 12.7136 12.7812 12.7812 13.1079 13.1079 14.5390 14.5390 k = 0.3563 0.5375 0.2264 ( 3546 PWs) bands (ev): -32.5959 -32.5959 -32.5922 -32.5922 -14.1884 -14.1884 -13.8611 -13.8611 -13.1697 -13.1697 -12.5486 -12.5486 -12.4689 -12.4689 -12.2938 -12.2938 -9.3173 -9.3173 -7.8147 -7.8147 -7.6168 -7.6168 -7.4702 -7.4702 1.8401 1.8401 2.9162 2.9162 3.1191 3.1191 3.1693 3.1693 4.7307 4.7307 5.0843 5.0843 5.1663 5.1663 5.4451 5.4451 5.6730 5.6730 6.5652 6.5652 6.7634 6.7634 6.8053 6.8053 11.6639 11.6639 12.7249 12.7249 12.7770 12.7770 13.0938 13.0938 14.5546 14.5546 k = 0.3506 0.5475 0.2264 ( 3550 PWs) bands (ev): -32.5954 -32.5954 -32.5925 -32.5925 -14.1897 -14.1897 -13.8583 -13.8583 -13.1755 -13.1755 -12.5393 -12.5393 -12.4791 -12.4791 -12.2951 -12.2951 -9.3159 -9.3159 -7.8120 -7.8120 -7.6116 -7.6116 -7.4730 -7.4730 1.8425 1.8425 2.9396 2.9396 3.0900 3.0900 3.1723 3.1723 4.7406 4.7406 5.0877 5.0877 5.1538 5.1538 5.4694 5.4694 5.6401 5.6401 6.5710 6.5710 6.7685 6.7685 6.8006 6.8006 11.6535 11.6535 12.7355 12.7355 12.7726 12.7726 13.0821 13.0821 14.5702 14.5702 k = 0.3448 0.5574 0.2264 ( 3550 PWs) bands (ev): -32.5948 -32.5948 -32.5929 -32.5929 -14.1906 -14.1906 -13.8563 -13.8563 -13.1796 -13.1796 -12.5302 -12.5302 -12.4888 -12.4888 -12.2961 -12.2961 -9.3149 -9.3149 -7.8101 -7.8101 -7.6078 -7.6078 -7.4750 -7.4750 1.8444 1.8444 2.9632 2.9632 3.0622 3.0622 3.1745 3.1745 4.7480 4.7480 5.0935 5.0935 5.1409 5.1409 5.4948 5.4948 5.6086 5.6086 6.5754 6.5754 6.7736 6.7736 6.7956 6.7956 11.6462 11.6462 12.7448 12.7448 12.7683 12.7683 13.0730 13.0730 14.5857 14.5857 k = 0.3391 0.5674 0.2264 ( 3550 PWs) bands (ev): -32.5943 -32.5943 -32.5933 -32.5933 -14.1912 -14.1912 -13.8551 -13.8551 -13.1821 -13.1821 -12.5218 -12.5218 -12.4976 -12.4976 -12.2967 -12.2967 -9.3143 -9.3143 -7.8090 -7.8090 -7.6056 -7.6056 -7.4761 -7.4761 1.8456 1.8456 2.9870 2.9870 3.0358 3.0358 3.1759 3.1759 4.7524 4.7524 5.1017 5.1017 5.1282 5.1282 5.5206 5.5206 5.5793 5.5793 6.5783 6.5783 6.7788 6.7788 6.7904 6.7904 11.6417 11.6417 12.7520 12.7520 12.7645 12.7645 13.0673 13.0673 14.6010 14.6014 k = 0.3333 0.5774 0.2264 ( 3546 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1914 -14.1914 -13.8547 -13.8547 -13.1829 -13.1829 -12.5173 -12.5173 -12.5023 -12.5023 -12.2968 -12.2968 -9.3141 -9.3141 -7.8086 -7.8086 -7.6048 -7.6048 -7.4764 -7.4764 1.8460 1.8460 3.0091 3.0091 3.0128 3.0128 3.1763 3.1763 4.7538 4.7538 5.1089 5.1089 5.1196 5.1196 5.5396 5.5396 5.5591 5.5591 6.5793 6.5793 6.7831 6.7831 6.7861 6.7861 11.6402 11.6402 12.7550 12.7550 12.7627 12.7627 13.0653 13.0653 14.6167 14.6173 k = 0.3333 0.5774 0.2264 ( 3546 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1914 -14.1914 -13.8547 -13.8547 -13.1829 -13.1829 -12.5173 -12.5173 -12.5023 -12.5023 -12.2968 -12.2968 -9.3141 -9.3141 -7.8086 -7.8086 -7.6048 -7.6048 -7.4764 -7.4764 1.8460 1.8460 3.0091 3.0091 3.0128 3.0128 3.1763 3.1763 4.7538 4.7538 5.1089 5.1089 5.1196 5.1196 5.5396 5.5396 5.5591 5.5591 6.5793 6.5793 6.7831 6.7831 6.7861 6.7861 11.6402 11.6402 12.7550 12.7550 12.7627 12.7627 13.0653 13.0653 14.6150 14.6169 k = 0.3275 0.5672 0.2264 ( 3550 PWs) bands (ev): -32.5943 -32.5943 -32.5933 -32.5933 -14.1912 -14.1912 -13.8551 -13.8551 -13.1821 -13.1821 -12.5218 -12.5218 -12.4976 -12.4976 -12.2966 -12.2966 -9.3143 -9.3143 -7.8090 -7.8090 -7.6056 -7.6056 -7.4761 -7.4761 1.8455 1.8455 2.9874 2.9874 3.0354 3.0354 3.1759 3.1759 4.7524 4.7524 5.1007 5.1007 5.1292 5.1292 5.5211 5.5211 5.5789 5.5789 6.5782 6.5782 6.7783 6.7783 6.7909 6.7909 11.6418 11.6418 12.7530 12.7530 12.7634 12.7634 13.0674 13.0674 14.5996 14.5996 k = 0.3216 0.5571 0.2264 ( 3550 PWs) bands (ev): -32.5949 -32.5949 -32.5928 -32.5928 -14.1905 -14.1905 -13.8561 -13.8561 -13.1796 -13.1796 -12.5297 -12.5297 -12.4893 -12.4893 -12.2961 -12.2961 -9.3149 -9.3149 -7.8102 -7.8102 -7.6077 -7.6077 -7.4753 -7.4753 1.8441 1.8441 2.9659 2.9659 3.0595 3.0595 3.1746 3.1746 4.7484 4.7484 5.0895 5.0895 5.1442 5.1442 5.4982 5.4982 5.6060 5.6060 6.5747 6.5747 6.7719 6.7719 6.7976 6.7976 11.6462 11.6462 12.7499 12.7499 12.7626 12.7626 13.0737 13.0737 14.5810 14.5810 k = 0.3158 0.5470 0.2264 ( 3544 PWs) bands (ev): -32.5955 -32.5955 -32.5924 -32.5924 -14.1894 -14.1894 -13.8577 -13.8577 -13.1755 -13.1755 -12.5379 -12.5379 -12.4804 -12.4804 -12.2951 -12.2951 -9.3159 -9.3159 -7.8121 -7.8121 -7.6112 -7.6112 -7.4742 -7.4742 1.8417 1.8417 2.9464 2.9464 3.0831 3.0831 3.1727 3.1727 4.7423 4.7423 5.0789 5.0789 5.1600 5.1600 5.4780 5.4780 5.6335 5.6335 6.5686 6.5686 6.7649 6.7649 6.8051 6.8051 11.6536 11.6536 12.7471 12.7471 12.7592 12.7592 13.0840 13.0840 14.5605 14.5605 k = 0.3099 0.5368 0.2264 ( 3544 PWs) bands (ev): -32.5962 -32.5962 -32.5921 -32.5921 -14.1878 -14.1878 -13.8598 -13.8598 -13.1700 -13.1700 -12.5459 -12.5459 -12.4714 -12.4714 -12.2938 -12.2938 -9.3172 -9.3172 -7.8148 -7.8148 -7.6158 -7.6158 -7.4730 -7.4730 1.8381 1.8381 2.9290 2.9290 3.1050 3.1050 3.1714 3.1714 4.7345 4.7345 5.0693 5.0693 5.1754 5.1754 5.4617 5.4617 5.6609 5.6609 6.5599 6.5599 6.7575 6.7575 6.8133 6.8133 11.6636 11.6636 12.7449 12.7449 12.7535 12.7535 13.0976 13.0976 14.5385 14.5385 k = 0.3041 0.5267 0.2264 ( 3548 PWs) bands (ev): -32.5970 -32.5970 -32.5918 -32.5918 -14.1857 -14.1857 -13.8621 -13.8621 -13.1631 -13.1631 -12.5535 -12.5535 -12.4625 -12.4625 -12.2920 -12.2920 -9.3188 -9.3188 -7.8182 -7.8182 -7.6214 -7.6214 -7.4719 -7.4719 1.8335 1.8335 2.9139 2.9139 3.1224 3.1224 3.1733 3.1733 4.7254 4.7254 5.0609 5.0609 5.1888 5.1888 5.4505 5.4505 5.6881 5.6881 6.5485 6.5485 6.7496 6.7496 6.8222 6.8222 11.6762 11.6762 12.7414 12.7414 12.7479 12.7479 13.1137 13.1137 14.5154 14.5154 k = 0.2982 0.5166 0.2264 ( 3550 PWs) bands (ev): -32.5978 -32.5978 -32.5915 -32.5915 -14.1831 -14.1831 -13.8647 -13.8647 -13.1549 -13.1549 -12.5607 -12.5607 -12.4537 -12.4537 -12.2899 -12.2899 -9.3208 -9.3208 -7.8223 -7.8223 -7.6280 -7.6280 -7.4711 -7.4711 1.8276 1.8276 2.9011 2.9011 3.1300 3.1300 3.1838 3.1838 4.7153 4.7153 5.0536 5.0536 5.1990 5.1990 5.4451 5.4451 5.7149 5.7149 6.5344 6.5344 6.7412 6.7412 6.8318 6.8318 11.6910 11.6910 12.7326 12.7326 12.7472 12.7472 13.1317 13.1317 14.4917 14.4917 k = 0.2924 0.5064 0.2264 ( 3554 PWs) bands (ev): -32.5987 -32.5987 -32.5913 -32.5913 -14.1799 -14.1799 -13.8673 -13.8673 -13.1455 -13.1455 -12.5674 -12.5674 -12.4451 -12.4451 -12.2874 -12.2874 -9.3230 -9.3230 -7.8271 -7.8271 -7.6354 -7.6354 -7.4706 -7.4706 1.8206 1.8206 2.8906 2.8906 3.1279 3.1279 3.2025 3.2025 4.7045 4.7045 5.0475 5.0475 5.2051 5.2051 5.4462 5.4462 5.7413 5.7413 6.5176 6.5176 6.7324 6.7324 6.8419 6.8419 11.7078 11.7078 12.7208 12.7208 12.7497 12.7497 13.1508 13.1508 14.4676 14.4676 k = 0.2865 0.4963 0.2264 ( 3564 PWs) bands (ev): -32.5997 -32.5997 -32.5912 -32.5912 -14.1762 -14.1762 -13.8699 -13.8699 -13.1352 -13.1352 -12.5737 -12.5737 -12.4368 -12.4368 -12.2846 -12.2846 -9.3254 -9.3254 -7.8326 -7.8326 -7.6436 -7.6436 -7.4705 -7.4705 1.8125 1.8125 2.8826 2.8826 3.1208 3.1208 3.2251 3.2251 4.6932 4.6932 5.0427 5.0427 5.2070 5.2070 5.4536 5.4536 5.7672 5.7672 6.4983 6.4983 6.7231 6.7231 6.8525 6.8525 11.7262 11.7262 12.7074 12.7074 12.7546 12.7546 13.1701 13.1701 14.4436 14.4436 k = 0.2807 0.4862 0.2264 ( 3564 PWs) bands (ev): -32.6007 -32.6007 -32.5911 -32.5911 -14.1719 -14.1719 -13.8722 -13.8722 -13.1239 -13.1239 -12.5794 -12.5794 -12.4287 -12.4287 -12.2813 -12.2813 -9.3281 -9.3281 -7.8389 -7.8389 -7.6527 -7.6527 -7.4708 -7.4708 1.8032 1.8032 2.8769 2.8769 3.1110 3.1110 3.2491 3.2491 4.6814 4.6814 5.0392 5.0392 5.2054 5.2054 5.4664 5.4664 5.7925 5.7925 6.4764 6.4764 6.7133 6.7133 6.8635 6.8635 11.7459 11.7459 12.6928 12.6928 12.7621 12.7621 13.1891 13.1891 14.4200 14.4200 k = 0.2749 0.4761 0.2264 ( 3568 PWs) bands (ev): -32.6019 -32.6019 -32.5910 -32.5910 -14.1671 -14.1671 -13.8743 -13.8743 -13.1117 -13.1117 -12.5847 -12.5847 -12.4208 -12.4208 -12.2777 -12.2777 -9.3310 -9.3310 -7.8458 -7.8458 -7.6626 -7.6626 -7.4716 -7.4716 1.7929 1.7929 2.8738 2.8738 3.0994 3.0994 3.2736 3.2736 4.6693 4.6693 5.0368 5.0368 5.2012 5.2012 5.4833 5.4833 5.8173 5.8173 6.4521 6.4521 6.7032 6.7032 6.8749 6.8749 11.7665 11.7665 12.6772 12.6772 12.7725 12.7725 13.2071 13.2071 14.3973 14.3973 k = 0.2690 0.4659 0.2264 ( 3572 PWs) bands (ev): -32.6030 -32.6030 -32.5911 -32.5911 -14.1617 -14.1617 -13.8759 -13.8759 -13.0989 -13.0989 -12.5893 -12.5893 -12.4132 -12.4132 -12.2738 -12.2738 -9.3340 -9.3340 -7.8535 -7.8535 -7.6732 -7.6732 -7.4729 -7.4729 1.7817 1.7817 2.8730 2.8730 3.0865 3.0865 3.2984 3.2984 4.6570 4.6570 5.0356 5.0356 5.1957 5.1957 5.5031 5.5031 5.8414 5.8414 6.4254 6.4254 6.6928 6.6928 6.8865 6.8865 11.7875 11.7875 12.6607 12.6607 12.7860 12.7860 13.2235 13.2235 14.3758 14.3758 k = 0.2632 0.4558 0.2264 ( 3562 PWs) bands (ev): -32.6043 -32.6043 -32.5911 -32.5911 -14.1558 -14.1558 -13.8771 -13.8771 -13.0855 -13.0855 -12.5934 -12.5934 -12.4059 -12.4059 -12.2695 -12.2695 -9.3371 -9.3371 -7.8619 -7.8619 -7.6847 -7.6847 -7.4745 -7.4745 1.7695 1.7695 2.8747 2.8747 3.0726 3.0726 3.3231 3.3231 4.6444 4.6444 5.0353 5.0353 5.1896 5.1896 5.5246 5.5246 5.8650 5.8650 6.3964 6.3964 6.6820 6.6820 6.8984 6.8984 11.8085 11.8085 12.6434 12.6434 12.8031 12.8031 13.2377 13.2377 14.3556 14.3556 k = 0.2573 0.4457 0.2264 ( 3562 PWs) bands (ev): -32.6056 -32.6056 -32.5913 -32.5913 -14.1493 -14.1493 -13.8777 -13.8777 -13.0716 -13.0716 -12.5969 -12.5969 -12.3989 -12.3989 -12.2649 -12.2649 -9.3404 -9.3404 -7.8710 -7.8710 -7.6971 -7.6971 -7.4765 -7.4765 1.7565 1.7565 2.8787 2.8787 3.0577 3.0577 3.3478 3.3478 4.6316 4.6316 5.0361 5.0361 5.1834 5.1834 5.5472 5.5472 5.8878 5.8878 6.3653 6.3653 6.6711 6.6711 6.9104 6.9104 11.8292 11.8292 12.6254 12.6254 12.8237 12.8237 13.2493 13.2493 14.3369 14.3369 k = 0.2515 0.4355 0.2264 ( 3562 PWs) bands (ev): -32.6069 -32.6069 -32.5915 -32.5915 -14.1423 -14.1423 -13.8776 -13.8776 -13.0572 -13.0572 -12.5998 -12.5998 -12.3922 -12.3922 -12.2600 -12.2600 -9.3437 -9.3437 -7.8810 -7.8810 -7.7104 -7.7104 -7.4788 -7.4788 1.7429 1.7429 2.8850 2.8850 3.0422 3.0422 3.3722 3.3722 4.6185 4.6185 5.0376 5.0376 5.1776 5.1776 5.5702 5.5702 5.9101 5.9101 6.3321 6.3321 6.6601 6.6601 6.9227 6.9227 11.8493 11.8493 12.6069 12.6069 12.8480 12.8480 13.2579 13.2579 14.3197 14.3197 k = 0.2456 0.4254 0.2264 ( 3574 PWs) bands (ev): -32.6084 -32.6084 -32.5918 -32.5918 -14.1348 -14.1348 -13.8769 -13.8769 -13.0426 -13.0426 -12.6020 -12.6020 -12.3857 -12.3857 -12.2549 -12.2549 -9.3470 -9.3470 -7.8919 -7.8919 -7.7246 -7.7246 -7.4813 -7.4813 1.7287 1.7287 2.8937 2.8937 3.0262 3.0262 3.3963 3.3963 4.6053 4.6053 5.0397 5.0397 5.1722 5.1722 5.5934 5.5934 5.9317 5.9317 6.2969 6.2969 6.6490 6.6490 6.9352 6.9352 11.8684 11.8684 12.5878 12.5878 12.8760 12.8760 13.2632 13.2632 14.3039 14.3039 k = 0.2398 0.4153 0.2264 ( 3574 PWs) bands (ev): -32.6098 -32.6098 -32.5921 -32.5921 -14.1269 -14.1269 -13.8753 -13.8753 -13.0277 -13.0277 -12.6035 -12.6035 -12.3794 -12.3794 -12.2497 -12.2497 -9.3504 -9.3504 -7.9036 -7.9036 -7.7398 -7.7398 -7.4838 -7.4838 1.7142 1.7142 2.9045 2.9045 3.0099 3.0099 3.4201 3.4201 4.5920 4.5920 5.0423 5.0423 5.1674 5.1674 5.6164 5.6164 5.9528 5.9528 6.2599 6.2599 6.6381 6.6381 6.9479 6.9479 11.8865 11.8865 12.5683 12.5683 12.9074 12.9074 13.2650 13.2650 14.2892 14.2892 k = 0.2339 0.4052 0.2264 ( 3578 PWs) bands (ev): -32.6114 -32.6114 -32.5925 -32.5925 -14.1185 -14.1185 -13.8730 -13.8730 -13.0126 -13.0126 -12.6043 -12.6043 -12.3734 -12.3734 -12.2442 -12.2442 -9.3538 -9.3538 -7.9163 -7.9163 -7.7559 -7.7559 -7.4863 -7.4863 1.6993 1.6993 2.9175 2.9175 2.9934 2.9934 3.4433 3.4433 4.5785 4.5785 5.0452 5.0452 5.1630 5.1630 5.6389 5.6389 5.9733 5.9733 6.2212 6.2212 6.6275 6.6275 6.9608 6.9608 11.9035 11.9035 12.5485 12.5485 12.9420 12.9420 13.2633 13.2633 14.2752 14.2752 k = 0.2281 0.3950 0.2264 ( 3570 PWs) bands (ev): -32.6130 -32.6130 -32.5929 -32.5929 -14.1097 -14.1097 -13.8698 -13.8698 -12.9974 -12.9974 -12.6043 -12.6043 -12.3675 -12.3675 -12.2386 -12.2386 -9.3572 -9.3572 -7.9300 -7.9300 -7.7731 -7.7731 -7.4888 -7.4888 1.6843 1.6843 2.9324 2.9324 2.9771 2.9771 3.4661 3.4661 4.5651 4.5651 5.0481 5.0481 5.1590 5.1590 5.6608 5.6608 5.9932 5.9932 6.1810 6.1810 6.6173 6.6173 6.9739 6.9739 11.9194 11.9194 12.5285 12.5285 12.9793 12.9793 13.2581 13.2581 14.2614 14.2614 k = 0.2222 0.3849 0.2264 ( 3560 PWs) bands (ev): -32.6146 -32.6146 -32.5934 -32.5934 -14.1006 -14.1006 -13.8658 -13.8658 -12.9821 -12.9821 -12.6035 -12.6035 -12.3617 -12.3617 -12.2330 -12.2330 -9.3605 -9.3605 -7.9447 -7.9447 -7.7913 -7.7913 -7.4910 -7.4910 1.6692 1.6692 2.9480 2.9480 2.9623 2.9623 3.4882 3.4882 4.5518 4.5518 5.0509 5.0509 5.1551 5.1551 5.6820 5.6820 6.0124 6.0124 6.1396 6.1396 6.6078 6.6078 6.9873 6.9873 11.9343 11.9343 12.5085 12.5085 13.0187 13.0187 13.2495 13.2495 14.2470 14.2470 k = 0.2164 0.3748 0.2264 ( 3572 PWs) bands (ev): -32.6163 -32.6163 -32.5940 -32.5940 -14.0912 -14.0912 -13.8609 -13.8609 -12.9670 -12.9670 -12.6017 -12.6017 -12.3561 -12.3561 -12.2274 -12.2274 -9.3638 -9.3638 -7.9604 -7.9604 -7.8107 -7.8107 -7.4929 -7.4929 1.6543 1.6543 2.9430 2.9430 2.9703 2.9703 3.5096 3.5096 4.5387 4.5387 5.0534 5.0534 5.1513 5.1513 5.7020 5.7020 6.0301 6.0301 6.0981 6.0981 6.5993 6.5993 7.0008 7.0008 11.9483 11.9483 12.4886 12.4886 13.0596 13.0596 13.2378 13.2378 14.2313 14.2313 k = 0.2105 0.3646 0.2264 ( 3572 PWs) bands (ev): -32.6181 -32.6181 -32.5946 -32.5946 -14.0816 -14.0816 -13.8551 -13.8551 -12.9519 -12.9519 -12.5991 -12.5991 -12.3506 -12.3506 -12.2217 -12.2217 -9.3671 -9.3671 -7.9772 -7.9772 -7.8311 -7.8311 -7.4944 -7.4944 1.6396 1.6396 2.9279 2.9279 2.9906 2.9906 3.5302 3.5302 4.5260 4.5260 5.0553 5.0553 5.1474 5.1474 5.7209 5.7209 6.0353 6.0353 6.0676 6.0676 6.5920 6.5920 7.0147 7.0147 11.9617 11.9617 12.4689 12.4689 13.1013 13.1013 13.2232 13.2232 14.2134 14.2134 k = 0.2047 0.3545 0.2264 ( 3568 PWs) bands (ev): -32.6199 -32.6199 -32.5953 -32.5953 -14.0718 -14.0718 -13.8484 -13.8484 -12.9369 -12.9369 -12.5954 -12.5954 -12.3451 -12.3451 -12.2161 -12.2161 -9.3703 -9.3703 -7.9951 -7.9951 -7.8526 -7.8526 -7.4955 -7.4955 1.6253 1.6253 2.9130 2.9130 3.0132 3.0132 3.5498 3.5498 4.5136 4.5136 5.0565 5.0565 5.1432 5.1432 5.7382 5.7382 6.0000 6.0000 6.0764 6.0764 6.5862 6.5862 7.0287 7.0287 11.9748 11.9748 12.4496 12.4496 13.1427 13.1427 13.2064 13.2064 14.1925 14.1925 k = 0.1988 0.3444 0.2264 ( 3572 PWs) bands (ev): -32.6217 -32.6217 -32.5960 -32.5960 -14.0619 -14.0619 -13.8409 -13.8409 -12.9222 -12.9222 -12.5907 -12.5907 -12.3396 -12.3396 -12.2106 -12.2106 -9.3734 -9.3734 -8.0140 -8.0140 -7.8753 -7.8753 -7.4961 -7.4961 1.6115 1.6115 2.8987 2.8987 3.0374 3.0374 3.5685 3.5685 4.5019 4.5019 5.0567 5.0567 5.1385 5.1385 5.7535 5.7535 5.9549 5.9549 6.0942 6.0942 6.5823 6.5823 7.0430 7.0430 11.9876 11.9876 12.4308 12.4308 13.1782 13.1782 13.1925 13.1925 14.1677 14.1677 k = 0.1930 0.3343 0.2264 ( 3574 PWs) bands (ev): -32.6235 -32.6235 -32.5967 -32.5967 -14.0519 -14.0519 -13.8326 -13.8326 -12.9077 -12.9077 -12.5850 -12.5850 -12.3341 -12.3341 -12.2053 -12.2053 -9.3765 -9.3765 -8.0340 -8.0340 -7.8990 -7.8990 -7.4961 -7.4961 1.5983 1.5983 2.8851 2.8851 3.0632 3.0632 3.5861 3.5861 4.4908 4.4908 5.0559 5.0559 5.1333 5.1333 5.7666 5.7666 5.9080 5.9080 6.1131 6.1131 6.5808 6.5808 7.0575 7.0575 12.0006 12.0006 12.4125 12.4125 13.1639 13.1639 13.2249 13.2249 14.1386 14.1386 k = 0.1871 0.3241 0.2264 ( 3562 PWs) bands (ev): -32.6254 -32.6254 -32.5975 -32.5975 -14.0419 -14.0419 -13.8236 -13.8236 -12.8934 -12.8934 -12.5781 -12.5781 -12.3285 -12.3285 -12.2000 -12.2000 -9.3794 -9.3794 -8.0551 -8.0551 -7.9238 -7.9238 -7.4956 -7.4956 1.5859 1.5859 2.8725 2.8725 3.0903 3.0903 3.6024 3.6024 4.4806 4.4806 5.0538 5.0538 5.1276 5.1276 5.7769 5.7769 5.8604 5.8604 6.1325 6.1325 6.5820 6.5820 7.0722 7.0722 12.0139 12.0139 12.3950 12.3950 13.1414 13.1414 13.2619 13.2619 14.1046 14.1046 k = 0.1813 0.3140 0.2264 ( 3564 PWs) bands (ev): -32.6273 -32.6273 -32.5984 -32.5984 -14.0320 -14.0320 -13.8138 -13.8138 -12.8795 -12.8795 -12.5701 -12.5701 -12.3228 -12.3228 -12.1949 -12.1949 -9.3824 -9.3824 -8.0771 -8.0771 -7.9496 -7.9496 -7.4945 -7.4945 1.5742 1.5742 2.8608 2.8608 3.1187 3.1187 3.6175 3.6175 4.4713 4.4713 5.0504 5.0504 5.1212 5.1212 5.7828 5.7828 5.8135 5.8135 6.1523 6.1523 6.5864 6.5864 7.0870 7.0870 12.0278 12.0278 12.3781 12.3781 13.1173 13.1173 13.2964 13.2964 14.0658 14.0658 k = 0.1754 0.3039 0.2264 ( 3568 PWs) bands (ev): -32.6292 -32.6292 -32.5993 -32.5993 -14.0221 -14.0221 -13.8033 -13.8033 -12.8659 -12.8659 -12.5609 -12.5609 -12.3171 -12.3171 -12.1900 -12.1900 -9.3853 -9.3853 -8.1000 -8.1000 -7.9764 -7.9764 -7.4928 -7.4928 1.5634 1.5634 2.8502 2.8502 3.1482 3.1482 3.6312 3.6312 4.4630 4.4630 5.0457 5.0457 5.1142 5.1142 5.7594 5.7594 5.7920 5.7920 6.1725 6.1725 6.5941 6.5941 7.1020 7.1020 12.0425 12.0425 12.3621 12.3621 13.0923 13.0923 13.3277 13.3277 14.0224 14.0224 k = 0.1696 0.2937 0.2264 ( 3568 PWs) bands (ev): -32.6311 -32.6311 -32.6002 -32.6002 -14.0124 -14.0124 -13.7923 -13.7923 -12.8525 -12.8525 -12.5506 -12.5506 -12.3112 -12.3112 -12.1853 -12.1853 -9.3881 -9.3881 -8.1239 -8.1239 -8.0042 -8.0042 -7.4906 -7.4906 1.5537 1.5537 2.8408 2.8408 3.1787 3.1787 3.6435 3.6435 4.4558 4.4558 5.0397 5.0397 5.1065 5.1065 5.7116 5.7116 5.7910 5.7910 6.1931 6.1931 6.6056 6.6056 7.1171 7.1171 12.0581 12.0581 12.3468 12.3468 13.0667 13.0667 13.3553 13.3553 13.9749 13.9749 k = 0.1637 0.2836 0.2264 ( 3576 PWs) bands (ev): -32.6331 -32.6331 -32.6011 -32.6011 -14.0029 -14.0029 -13.7808 -13.7808 -12.8395 -12.8395 -12.5392 -12.5392 -12.3051 -12.3051 -12.1808 -12.1808 -9.3910 -9.3910 -8.1485 -8.1485 -8.0328 -8.0328 -7.4879 -7.4879 1.5450 1.5450 2.8325 2.8325 3.2098 3.2098 3.6543 3.6543 4.4499 4.4499 5.0323 5.0323 5.0983 5.0983 5.6627 5.6627 5.7872 5.7872 6.2140 6.2140 6.6209 6.6209 7.1322 7.1322 12.0748 12.0748 12.3322 12.3322 13.0408 13.0408 13.3791 13.3791 13.9243 13.9243 k = 0.1579 0.2735 0.2264 ( 3576 PWs) bands (ev): -32.6350 -32.6350 -32.6021 -32.6021 -13.9935 -13.9935 -13.7689 -13.7689 -12.8268 -12.8268 -12.5267 -12.5267 -12.2988 -12.2988 -12.1764 -12.1764 -9.3938 -9.3938 -8.1739 -8.1739 -8.0621 -8.0621 -7.4846 -7.4846 1.5374 1.5374 2.8255 2.8255 3.2415 3.2415 3.6636 3.6636 4.4452 4.4452 5.0237 5.0237 5.0895 5.0895 5.6137 5.6137 5.7796 5.7796 6.2354 6.2354 6.6400 6.6400 7.1474 7.1474 12.0929 12.0929 12.3181 12.3181 13.0149 13.0149 13.3989 13.3989 13.8713 13.8713 k = 0.1520 0.2634 0.2264 ( 3582 PWs) bands (ev): -32.6370 -32.6370 -32.6030 -32.6030 -13.9845 -13.9845 -13.7566 -13.7566 -12.8143 -12.8143 -12.5131 -12.5131 -12.2924 -12.2924 -12.1723 -12.1723 -9.3966 -9.3966 -8.2000 -8.2000 -8.0922 -8.0922 -7.4810 -7.4810 1.5310 1.5310 2.8197 2.8197 3.2735 3.2735 3.6713 3.6713 4.4418 4.4418 5.0140 5.0140 5.0804 5.0804 5.5649 5.5649 5.7680 5.7680 6.2570 6.2570 6.6628 6.6628 7.1626 7.1626 12.1124 12.1124 12.3044 12.3044 12.9895 12.9895 13.4147 13.4147 13.8169 13.8169 k = 0.1462 0.2532 0.2264 ( 3586 PWs) bands (ev): -32.6389 -32.6389 -32.6040 -32.6040 -13.9756 -13.9756 -13.7442 -13.7442 -12.8021 -12.8021 -12.4987 -12.4987 -12.2856 -12.2856 -12.1684 -12.1684 -9.3995 -9.3995 -8.2266 -8.2266 -8.1228 -8.1228 -7.4769 -7.4769 1.5258 1.5258 2.8152 2.8152 3.3056 3.3056 3.6775 3.6775 4.4396 4.4396 5.0033 5.0033 5.0710 5.0710 5.5165 5.5165 5.7526 5.7526 6.2789 6.2789 6.6891 6.6891 7.1777 7.1777 12.1334 12.1334 12.2908 12.2908 12.9649 12.9649 13.4266 13.4266 13.7620 13.7620 k = 0.1404 0.2431 0.2264 ( 3586 PWs) bands (ev): -32.6408 -32.6408 -32.6050 -32.6050 -13.9671 -13.9671 -13.7317 -13.7317 -12.7901 -12.7901 -12.4833 -12.4833 -12.2786 -12.2786 -12.1646 -12.1646 -9.4025 -9.4025 -8.2536 -8.2536 -8.1539 -8.1539 -7.4724 -7.4724 1.5219 1.5219 2.8119 2.8119 3.3375 3.3375 3.6822 3.6822 4.4389 4.4389 4.9918 4.9918 5.0615 5.0615 5.4688 5.4688 5.7334 5.7334 6.3010 6.3010 6.7186 6.7186 7.1927 7.1927 12.1561 12.1561 12.2770 12.2770 12.9414 12.9414 13.4348 13.4348 13.7074 13.7074 k = 0.1345 0.2330 0.2264 ( 3582 PWs) bands (ev): -32.6427 -32.6427 -32.6060 -32.6060 -13.9589 -13.9589 -13.7191 -13.7191 -12.7782 -12.7782 -12.4672 -12.4672 -12.2714 -12.2714 -12.1610 -12.1610 -9.4055 -9.4055 -8.2810 -8.2810 -8.1854 -8.1854 -7.4677 -7.4677 1.5192 1.5192 2.8099 2.8099 3.3689 3.3689 3.6855 3.6855 4.4394 4.4394 4.9797 4.9797 5.0519 5.0519 5.4218 5.4218 5.7108 5.7108 6.3231 6.3231 6.7509 6.7509 7.2076 7.2076 12.1804 12.1804 12.2628 12.2628 12.9196 12.9196 13.4397 13.4397 13.6539 13.6539 k = 0.1287 0.2228 0.2264 ( 3582 PWs) bands (ev): -32.6445 -32.6445 -32.6070 -32.6070 -13.9511 -13.9511 -13.7066 -13.7066 -12.7666 -12.7666 -12.4505 -12.4505 -12.2638 -12.2638 -12.1575 -12.1575 -9.4086 -9.4086 -8.3087 -8.3087 -8.2170 -8.2170 -7.4627 -7.4627 1.5178 1.5178 2.8092 2.8092 3.3997 3.3997 3.6874 3.6874 4.4411 4.4411 4.9672 4.9672 5.0425 5.0425 5.3758 5.3758 5.6850 5.6850 6.3451 6.3451 6.7857 6.7857 7.2224 7.2224 12.2060 12.2060 12.2480 12.2480 12.8999 12.8999 13.4415 13.4415 13.6022 13.6022 k = 0.1228 0.2127 0.2264 ( 3582 PWs) bands (ev): -32.6463 -32.6463 -32.6081 -32.6081 -13.9435 -13.9435 -13.6943 -13.6943 -12.7551 -12.7551 -12.4332 -12.4332 -12.2560 -12.2560 -12.1542 -12.1542 -9.4118 -9.4118 -8.3364 -8.3364 -8.2488 -8.2488 -7.4575 -7.4575 1.5176 1.5176 2.8096 2.8096 3.4294 3.4294 3.6880 3.6880 4.4441 4.4441 4.9546 4.9546 5.0334 5.0334 5.3309 5.3309 5.6562 5.6562 6.3669 6.3669 6.8223 6.8223 7.2369 7.2369 12.2238 12.2238 12.2412 12.2412 12.8827 12.8827 13.4404 13.4404 13.5531 13.5531 k = 0.1170 0.2026 0.2264 ( 3586 PWs) bands (ev): -32.6481 -32.6481 -32.6090 -32.6090 -13.9364 -13.9364 -13.6822 -13.6822 -12.7438 -12.7438 -12.4155 -12.4155 -12.2479 -12.2479 -12.1510 -12.1510 -9.4152 -9.4152 -8.3642 -8.3642 -8.2805 -8.2805 -7.4521 -7.4521 1.5187 1.5187 2.8112 2.8112 3.4579 3.4579 3.6875 3.6875 4.4483 4.4483 4.9421 4.9421 5.0247 5.0247 5.2873 5.2873 5.6249 5.6249 6.3884 6.3884 6.8606 6.8606 7.2512 7.2512 12.2090 12.2090 12.2671 12.2671 12.8687 12.8687 13.4366 13.4366 13.5073 13.5073 k = 0.1111 0.1925 0.2264 ( 3586 PWs) bands (ev): -32.6499 -32.6499 -32.6100 -32.6100 -13.9296 -13.9296 -13.6705 -13.6705 -12.7326 -12.7326 -12.3975 -12.3975 -12.2395 -12.2395 -12.1478 -12.1478 -9.4187 -9.4187 -8.3918 -8.3918 -8.3120 -8.3120 -7.4466 -7.4466 1.5209 1.5209 2.8138 2.8138 3.4848 3.4848 3.6860 3.6860 4.4536 4.4536 4.9299 4.9299 5.0165 5.0165 5.2452 5.2452 5.5912 5.5912 6.4094 6.4094 6.9000 6.9000 7.2653 7.2653 12.1881 12.1881 12.2986 12.2986 12.8580 12.8580 13.4292 13.4292 13.4665 13.4665 k = 0.1053 0.1823 0.2264 ( 3586 PWs) bands (ev): -32.6515 -32.6515 -32.6110 -32.6110 -13.9232 -13.9232 -13.6592 -13.6592 -12.7217 -12.7217 -12.3794 -12.3794 -12.2310 -12.2310 -12.1446 -12.1446 -9.4224 -9.4224 -8.4191 -8.4191 -8.3432 -8.3432 -7.4411 -7.4411 1.5242 1.5242 2.8175 2.8175 3.5098 3.5098 3.6836 3.6836 4.4601 4.4601 4.9183 4.9183 5.0088 5.0088 5.2048 5.2048 5.5554 5.5554 6.4298 6.4298 6.9402 6.9402 7.2791 7.2791 12.1643 12.1643 12.3324 12.3324 12.8512 12.8512 13.4117 13.4117 13.4375 13.4375 k = 0.0994 0.1722 0.2264 ( 3582 PWs) bands (ev): -32.6532 -32.6532 -32.6119 -32.6119 -13.9171 -13.9171 -13.6483 -13.6483 -12.7111 -12.7111 -12.3613 -12.3613 -12.2222 -12.2222 -12.1413 -12.1413 -9.4263 -9.4263 -8.4461 -8.4461 -8.3738 -8.3738 -7.4356 -7.4356 1.5286 1.5286 2.8220 2.8220 3.5327 3.5327 3.6805 3.6805 4.4677 4.4677 4.9075 4.9075 5.0018 5.0018 5.1662 5.1662 5.5178 5.5178 6.4494 6.4494 6.9808 6.9808 7.2925 7.2925 12.1378 12.1378 12.3681 12.3681 12.8482 12.8482 13.3813 13.3813 13.4228 13.4228 k = 0.0936 0.1621 0.2264 ( 3586 PWs) bands (ev): -32.6547 -32.6547 -32.6128 -32.6128 -13.9115 -13.9115 -13.6380 -13.6380 -12.7008 -12.7008 -12.3433 -12.3433 -12.2135 -12.2135 -12.1379 -12.1379 -9.4303 -9.4303 -8.4726 -8.4726 -8.4037 -8.4037 -7.4301 -7.4301 1.5340 1.5340 2.8274 2.8274 3.5532 3.5532 3.6768 3.6768 4.4764 4.4764 4.8975 4.8975 4.9954 4.9954 5.1299 5.1299 5.4786 5.4786 6.4682 6.4682 7.0214 7.0214 7.3056 7.3056 12.1089 12.1089 12.4057 12.4057 12.8491 12.8491 13.3496 13.3496 13.3877 13.3877 k = 0.0877 0.1519 0.2264 ( 3586 PWs) bands (ev): -32.6562 -32.6562 -32.6137 -32.6137 -13.9062 -13.9062 -13.6282 -13.6282 -12.6908 -12.6908 -12.3256 -12.3256 -12.2049 -12.2049 -12.1342 -12.1342 -9.4345 -9.4345 -8.4985 -8.4985 -8.4328 -8.4328 -7.4247 -7.4247 1.5401 1.5401 2.8334 2.8334 3.5713 3.5713 3.6726 3.6726 4.4861 4.4861 4.8884 4.8884 4.9897 4.9897 5.0960 5.0960 5.4381 5.4381 6.4861 6.4861 7.0616 7.0616 7.3184 7.3184 12.0778 12.0778 12.4451 12.4451 12.8537 12.8537 13.3188 13.3188 13.3509 13.3509 k = 0.0819 0.1418 0.2264 ( 3578 PWs) bands (ev): -32.6577 -32.6577 -32.6146 -32.6146 -13.9013 -13.9013 -13.6190 -13.6190 -12.6812 -12.6812 -12.3083 -12.3083 -12.1964 -12.1964 -12.1301 -12.1301 -9.4389 -9.4389 -8.5236 -8.5236 -8.4608 -8.4608 -7.4195 -7.4195 1.5470 1.5470 2.8400 2.8400 3.5867 3.5867 3.6680 3.6680 4.4971 4.4971 4.8802 4.8802 4.9844 4.9844 5.0651 5.0651 5.3965 5.3965 6.5029 6.5029 7.1012 7.1012 7.3307 7.3307 12.0451 12.0451 12.4861 12.4861 12.8618 12.8618 13.2867 13.2867 13.3211 13.3211 k = 0.0760 0.1317 0.2264 ( 3582 PWs) bands (ev): -32.6590 -32.6590 -32.6154 -32.6154 -13.8968 -13.8968 -13.6103 -13.6103 -12.6721 -12.6721 -12.2915 -12.2915 -12.1884 -12.1884 -12.1256 -12.1256 -9.4434 -9.4434 -8.5478 -8.5478 -8.4875 -8.4875 -7.4144 -7.4144 1.5546 1.5546 2.8471 2.8471 3.5995 3.5995 3.6633 3.6633 4.5093 4.5093 4.8725 4.8725 4.9795 4.9795 5.0376 5.0376 5.3541 5.3541 6.5186 6.5186 7.1397 7.1397 7.3425 7.3425 12.0113 12.0113 12.5285 12.5285 12.8727 12.8727 13.2529 13.2529 13.2994 13.2994 k = 0.0702 0.1215 0.2264 ( 3578 PWs) bands (ev): -32.6603 -32.6603 -32.6162 -32.6162 -13.8927 -13.8927 -13.6024 -13.6024 -12.6634 -12.6634 -12.2755 -12.2755 -12.1809 -12.1809 -12.1204 -12.1204 -9.4480 -9.4480 -8.5710 -8.5710 -8.5128 -8.5128 -7.4095 -7.4095 1.5625 1.5625 2.8544 2.8544 3.6097 3.6097 3.6584 3.6584 4.5227 4.5227 4.8649 4.8649 4.9743 4.9743 5.0147 5.0147 5.3111 5.3111 6.5331 6.5331 7.1768 7.1768 7.3538 7.3538 11.9770 11.9770 12.5722 12.5722 12.8861 12.8861 13.2191 13.2191 13.2841 13.2841 k = 0.0643 0.1114 0.2264 ( 3574 PWs) bands (ev): -32.6615 -32.6615 -32.6169 -32.6169 -13.8889 -13.8889 -13.5950 -13.5950 -12.6554 -12.6554 -12.2604 -12.2604 -12.1741 -12.1741 -12.1147 -12.1147 -9.4526 -9.4526 -8.5932 -8.5932 -8.5365 -8.5365 -7.4049 -7.4049 1.5707 1.5707 2.8619 2.8619 3.6174 3.6174 3.6536 3.6536 4.5374 4.5374 4.8570 4.8570 4.9680 4.9680 4.9977 4.9977 5.2677 5.2677 6.5464 6.5464 7.2123 7.2123 7.3646 7.3646 11.9428 11.9428 12.6169 12.6169 12.9013 12.9013 13.1868 13.1868 13.2740 13.2740 k = 0.0585 0.1013 0.2264 ( 3566 PWs) bands (ev): -32.6626 -32.6626 -32.6175 -32.6175 -13.8856 -13.8856 -13.5883 -13.5883 -12.6479 -12.6479 -12.2464 -12.2464 -12.1680 -12.1680 -12.1085 -12.1085 -9.4572 -9.4572 -8.6141 -8.6141 -8.5584 -8.5584 -7.4006 -7.4006 1.5791 1.5791 2.8694 2.8694 3.6227 3.6227 3.6490 3.6490 4.5536 4.5536 4.8480 4.8480 4.9599 4.9599 4.9876 4.9876 5.2241 5.2241 6.5584 6.5584 7.2458 7.2458 7.3747 7.3747 11.9094 11.9094 12.6621 12.6621 12.9176 12.9176 13.1566 13.1566 13.2685 13.2685 k = 0.0526 0.0912 0.2264 ( 3562 PWs) bands (ev): -32.6636 -32.6636 -32.6182 -32.6182 -13.8825 -13.8825 -13.5823 -13.5823 -12.6411 -12.6411 -12.2335 -12.2335 -12.1625 -12.1625 -12.1019 -12.1019 -9.4618 -9.4618 -8.6336 -8.6336 -8.5785 -8.5785 -7.3966 -7.3966 1.5874 1.5874 2.8767 2.8767 3.6260 3.6260 3.6446 3.6446 4.5712 4.5712 4.8379 4.8379 4.9520 4.9520 4.9826 4.9826 5.1807 5.1807 6.5692 6.5692 7.2769 7.2769 7.3843 7.3843 11.8774 11.8774 12.7075 12.7075 12.9345 12.9345 13.1289 13.1289 13.2673 13.2673 k = 0.0468 0.0810 0.2264 ( 3560 PWs) bands (ev): -32.6645 -32.6645 -32.6187 -32.6187 -13.8798 -13.8798 -13.5769 -13.5769 -12.6350 -12.6350 -12.2221 -12.2221 -12.1575 -12.1575 -12.0952 -12.0952 -9.4661 -9.4661 -8.6517 -8.6517 -8.5966 -8.5966 -7.3930 -7.3930 1.5955 1.5955 2.8837 2.8837 3.6274 3.6274 3.6406 3.6406 4.5903 4.5903 4.8268 4.8268 4.9460 4.9460 4.9802 4.9802 5.1375 5.1375 6.5787 6.5787 7.3055 7.3055 7.3932 7.3932 11.8472 11.8472 12.7524 12.7524 12.9512 12.9512 13.1039 13.1039 13.2699 13.2699 k = 0.0409 0.0709 0.2264 ( 3560 PWs) bands (ev): -32.6653 -32.6653 -32.6192 -32.6192 -13.8775 -13.8775 -13.5721 -13.5721 -12.6295 -12.6295 -12.2121 -12.2121 -12.1529 -12.1529 -12.0885 -12.0885 -9.4703 -9.4703 -8.6681 -8.6681 -8.6126 -8.6126 -7.3897 -7.3897 1.6031 1.6031 2.8903 2.8903 3.6273 3.6273 3.6372 3.6372 4.6110 4.6110 4.8153 4.8153 4.9424 4.9424 4.9791 4.9791 5.0950 5.0950 6.5871 6.5871 7.3310 7.3310 7.4014 7.4014 11.8195 11.8195 12.7959 12.7959 12.9671 12.9671 13.0818 13.0818 13.2759 13.2759 k = 0.0351 0.0608 0.2264 ( 3564 PWs) bands (ev): -32.6660 -32.6660 -32.6196 -32.6196 -13.8755 -13.8755 -13.5681 -13.5681 -12.6247 -12.6247 -12.2038 -12.2038 -12.1485 -12.1485 -12.0822 -12.0822 -9.4741 -9.4741 -8.6827 -8.6827 -8.6265 -8.6265 -7.3868 -7.3868 1.6102 1.6102 2.8963 2.8963 3.6260 3.6260 3.6343 3.6343 4.6332 4.6332 4.8042 4.8042 4.9406 4.9406 4.9788 4.9788 5.0534 5.0534 6.5942 6.5942 7.3533 7.3533 7.4091 7.4091 11.7946 11.7946 12.8372 12.8372 12.9816 12.9816 13.0628 13.0628 13.2847 13.2847 k = 0.0292 0.0506 0.2264 ( 3564 PWs) bands (ev): -32.6666 -32.6666 -32.6200 -32.6200 -13.8738 -13.8738 -13.5646 -13.5646 -12.6207 -12.6207 -12.1971 -12.1971 -12.1444 -12.1444 -12.0765 -12.0765 -9.4775 -9.4775 -8.6953 -8.6953 -8.6384 -8.6384 -7.3843 -7.3843 1.6165 1.6165 2.9016 2.9016 3.6241 3.6241 3.6319 3.6319 4.6570 4.6570 4.7939 4.7939 4.9398 4.9398 4.9787 4.9787 5.0135 5.0135 6.6001 6.6001 7.3720 7.3720 7.4163 7.4163 11.7728 11.7728 12.8748 12.8748 12.9944 12.9944 13.0473 13.0473 13.2951 13.2951 k = 0.0234 0.0405 0.2264 ( 3568 PWs) bands (ev): -32.6671 -32.6671 -32.6203 -32.6203 -13.8724 -13.8724 -13.5618 -13.5618 -12.6174 -12.6174 -12.1920 -12.1920 -12.1407 -12.1407 -12.0716 -12.0716 -9.4804 -9.4804 -8.7058 -8.7058 -8.6480 -8.6480 -7.3822 -7.3822 1.6218 1.6218 2.9061 2.9061 3.6221 3.6221 3.6298 3.6298 4.6822 4.6822 4.7851 4.7851 4.9388 4.9388 4.9706 4.9706 4.9841 4.9841 6.6049 6.6049 7.3867 7.3867 7.4230 7.4230 11.7546 11.7546 12.9070 12.9070 13.0052 13.0052 13.0355 13.0355 13.3060 13.3060 k = 0.0175 0.0304 0.2264 ( 3568 PWs) bands (ev): -32.6675 -32.6675 -32.6206 -32.6206 -13.8714 -13.8714 -13.5596 -13.5596 -12.6148 -12.6148 -12.1882 -12.1882 -12.1375 -12.1375 -12.0676 -12.0676 -9.4828 -9.4828 -8.7142 -8.7142 -8.6555 -8.6555 -7.3806 -7.3806 1.6262 1.6262 2.9097 2.9097 3.6203 3.6203 3.6281 3.6281 4.7082 4.7082 4.7780 4.7780 4.9282 4.9282 4.9470 4.9470 4.9822 4.9822 6.6086 6.6086 7.3974 7.3974 7.4291 7.4291 11.7402 11.7402 12.9322 12.9322 13.0137 13.0137 13.0280 13.0280 13.3162 13.3162 k = 0.0117 0.0203 0.2264 ( 3572 PWs) bands (ev): -32.6678 -32.6678 -32.6207 -32.6207 -13.8706 -13.8706 -13.5581 -13.5581 -12.6130 -12.6130 -12.1856 -12.1856 -12.1350 -12.1350 -12.0646 -12.0646 -9.4845 -9.4845 -8.7202 -8.7202 -8.6609 -8.6609 -7.3795 -7.3795 1.6294 1.6294 2.9123 2.9123 3.6188 3.6188 3.6268 3.6268 4.7342 4.7342 4.7730 4.7730 4.8980 4.8980 4.9438 4.9438 4.9826 4.9826 6.6112 6.6112 7.4045 7.4045 7.4343 7.4343 11.7297 11.7297 12.9488 12.9488 13.0198 13.0198 13.0248 13.0248 13.3248 13.3248 k = 0.0058 0.0101 0.2264 ( 3570 PWs) bands (ev): -32.6680 -32.6680 -32.6208 -32.6208 -13.8702 -13.8702 -13.5571 -13.5571 -12.6118 -12.6118 -12.1842 -12.1842 -12.1335 -12.1335 -12.0629 -12.0629 -9.4855 -9.4855 -8.7238 -8.7238 -8.6641 -8.6641 -7.3788 -7.3788 1.6313 1.6313 2.9139 2.9139 3.6179 3.6179 3.6259 3.6259 4.7564 4.7564 4.7708 4.7708 4.8706 4.8706 4.9436 4.9436 4.9830 4.9830 6.6128 6.6128 7.4084 7.4084 7.4378 7.4378 11.7234 11.7234 12.9574 12.9574 13.0233 13.0233 13.0248 13.0248 13.3309 13.3309 k = 0.0000 0.0000 0.2264 ( 3574 PWs) bands (ev): -32.6680 -32.6680 -32.6209 -32.6209 -13.8700 -13.8700 -13.5568 -13.5568 -12.6115 -12.6115 -12.1837 -12.1837 -12.1330 -12.1330 -12.0623 -12.0623 -9.4859 -9.4859 -8.7250 -8.7250 -8.6652 -8.6652 -7.3785 -7.3785 1.6319 1.6319 2.9144 2.9144 3.6176 3.6176 3.6256 3.6256 4.7641 4.7641 4.7729 4.7729 4.8582 4.8582 4.9436 4.9436 4.9832 4.9832 6.6133 6.6133 7.4096 7.4096 7.4390 7.4390 11.7213 11.7213 12.9599 12.9599 13.0243 13.0243 13.0254 13.0254 13.3332 13.3332 k = 0.5000 0.2887 0.2264 ( 3568 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0992 -14.0992 -14.0360 -14.0360 -12.8566 -12.8566 -12.7622 -12.7622 -12.2936 -12.2936 -12.1927 -12.1927 -9.4007 -9.4007 -7.9684 -7.9684 -7.7839 -7.7839 -7.3715 -7.3715 1.7700 1.7700 2.5686 2.5686 3.0545 3.0545 3.7393 3.7393 4.5324 4.5324 4.8830 4.8830 5.0680 5.0680 5.6305 5.6305 6.3032 6.3032 6.3614 6.3614 6.6575 6.6575 6.8644 6.8644 12.2475 12.2475 12.6274 12.6274 12.9112 12.9112 13.3400 13.3400 13.8490 13.8490 k = 0.5000 0.2887 0.2151 ( 3574 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0992 -14.0992 -14.0360 -14.0360 -12.8566 -12.8566 -12.7622 -12.7622 -12.2936 -12.2936 -12.1927 -12.1927 -9.4005 -9.4005 -7.9687 -7.9687 -7.7843 -7.7843 -7.3711 -7.3711 1.7700 1.7700 2.5697 2.5697 3.0545 3.0545 3.7391 3.7391 4.5261 4.5261 4.8867 4.8867 5.0685 5.0685 5.6322 5.6322 6.3027 6.3027 6.3562 6.3562 6.6639 6.6639 6.8641 6.8641 12.2472 12.2472 12.6267 12.6267 12.9080 12.9080 13.3420 13.3420 13.8500 13.8500 k = 0.5000 0.2887 0.2038 ( 3566 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0991 -14.0991 -14.0360 -14.0360 -12.8565 -12.8565 -12.7623 -12.7623 -12.2936 -12.2936 -12.1928 -12.1928 -9.3999 -9.3999 -7.9694 -7.9694 -7.7853 -7.7853 -7.3697 -7.3697 1.7700 1.7700 2.5731 2.5731 3.0543 3.0543 3.7386 3.7386 4.5080 4.5080 4.8969 4.8969 5.0700 5.0700 5.6372 5.6372 6.3006 6.3006 6.3424 6.3424 6.6816 6.6816 6.8634 6.8634 12.2463 12.2463 12.6248 12.6248 12.8985 12.8985 13.3480 13.3480 13.8531 13.8531 k = 0.5000 0.2887 0.1924 ( 3564 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0990 -14.0990 -14.0361 -14.0361 -12.8564 -12.8564 -12.7624 -12.7624 -12.2936 -12.2936 -12.1929 -12.1929 -9.3990 -9.3990 -7.9707 -7.9707 -7.7871 -7.7871 -7.3675 -7.3675 1.7699 1.7699 2.5787 2.5787 3.0540 3.0540 3.7376 3.7376 4.4804 4.4804 4.9118 4.9118 5.0723 5.0723 5.6455 5.6455 6.2943 6.2943 6.3258 6.3258 6.7076 6.7076 6.8623 6.8623 12.2448 12.2448 12.6218 12.6218 12.8833 12.8833 13.3573 13.3573 13.8581 13.8581 k = 0.5000 0.2887 0.1811 ( 3572 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0989 -14.0989 -14.0362 -14.0362 -12.8563 -12.8563 -12.7626 -12.7626 -12.2937 -12.2937 -12.1930 -12.1930 -9.3978 -9.3978 -7.9724 -7.9724 -7.7893 -7.7893 -7.3646 -7.3646 1.7699 1.7699 2.5864 2.5864 3.0536 3.0536 3.7364 3.7364 4.4455 4.4455 4.9293 4.9293 5.0755 5.0755 5.6566 5.6566 6.2774 6.2774 6.3153 6.3153 6.7391 6.7391 6.8609 6.8609 12.2429 12.2429 12.6176 12.6176 12.8633 12.8633 13.3693 13.3693 13.8649 13.8649 k = 0.5000 0.2887 0.1698 ( 3566 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0987 -14.0987 -14.0363 -14.0363 -12.8562 -12.8562 -12.7627 -12.7627 -12.2938 -12.2938 -12.1931 -12.1931 -9.3962 -9.3962 -7.9747 -7.9747 -7.7921 -7.7921 -7.3610 -7.3610 1.7698 1.7698 2.5962 2.5962 3.0531 3.0531 3.7348 3.7348 4.4055 4.4055 4.9479 4.9479 5.0796 5.0796 5.6701 5.6701 6.2516 6.2516 6.3113 6.3113 6.7737 6.7737 6.8593 6.8593 12.2406 12.2406 12.6125 12.6125 12.8393 12.8393 13.3833 13.3833 13.8733 13.8733 k = 0.5000 0.2887 0.1585 ( 3566 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0985 -14.0985 -14.0365 -14.0365 -12.8560 -12.8560 -12.7630 -12.7630 -12.2938 -12.2938 -12.1933 -12.1933 -9.3943 -9.3943 -7.9773 -7.9773 -7.7951 -7.7951 -7.3568 -7.3568 1.7697 1.7697 2.6078 2.6078 3.0526 3.0526 3.7329 3.7329 4.3620 4.3620 4.9664 4.9664 5.0843 5.0843 5.6858 5.6858 6.2227 6.2227 6.3095 6.3095 6.8091 6.8091 6.8584 6.8584 12.2380 12.2380 12.6066 12.6066 12.8121 12.8121 13.3986 13.3986 13.8831 13.8831 k = 0.5000 0.2887 0.1472 ( 3562 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0983 -14.0983 -14.0366 -14.0366 -12.8558 -12.8558 -12.7632 -12.7632 -12.2939 -12.2939 -12.1935 -12.1935 -9.3923 -9.3923 -7.9804 -7.9804 -7.7984 -7.7984 -7.3523 -7.3523 1.7697 1.7697 2.6212 2.6212 3.0520 3.0520 3.7309 3.7309 4.3162 4.3162 4.9842 4.9842 5.0896 5.0896 5.7029 5.7029 6.1929 6.1929 6.3084 6.3084 6.8384 6.8384 6.8643 6.8643 12.2354 12.2354 12.6001 12.6001 12.7826 12.7826 13.4147 13.4147 13.8940 13.8940 k = 0.5000 0.2887 0.1358 ( 3564 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0981 -14.0981 -14.0368 -14.0368 -12.8556 -12.8556 -12.7635 -12.7635 -12.2940 -12.2940 -12.1938 -12.1938 -9.3900 -9.3900 -7.9838 -7.9838 -7.8017 -7.8017 -7.3475 -7.3475 1.7696 1.7696 2.6361 2.6361 3.0515 3.0515 3.7286 3.7286 4.2692 4.2692 5.0011 5.0011 5.0954 5.0954 5.7211 5.7211 6.1633 6.1633 6.3076 6.3076 6.8450 6.8450 6.8925 6.8925 12.2328 12.2328 12.5931 12.5931 12.7515 12.7515 13.4311 13.4311 13.9056 13.9056 k = 0.5000 0.2887 0.1245 ( 3558 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0978 -14.0978 -14.0369 -14.0369 -12.8554 -12.8554 -12.7638 -12.7638 -12.2941 -12.2941 -12.1940 -12.1940 -9.3876 -9.3876 -7.9875 -7.9875 -7.8050 -7.8050 -7.3425 -7.3425 1.7695 1.7695 2.6522 2.6522 3.0510 3.0510 3.7263 3.7263 4.2218 4.2218 5.0168 5.0168 5.1015 5.1015 5.7399 5.7399 6.1344 6.1344 6.3069 6.3069 6.8435 6.8435 6.9280 6.9280 12.2304 12.2304 12.5858 12.5858 12.7195 12.7195 13.4475 13.4475 13.9173 13.9173 k = 0.5000 0.2887 0.1132 ( 3568 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0976 -14.0976 -14.0371 -14.0371 -12.8552 -12.8552 -12.7641 -12.7641 -12.2942 -12.2942 -12.1942 -12.1942 -9.3852 -9.3852 -7.9913 -7.9913 -7.8082 -7.8082 -7.3376 -7.3376 1.7695 1.7695 2.6693 2.6693 3.0506 3.0506 3.7240 3.7240 4.1748 4.1748 5.0312 5.0312 5.1078 5.1078 5.7588 5.7588 6.1066 6.1066 6.3062 6.3062 6.8407 6.8407 6.9634 6.9634 12.2283 12.2283 12.5785 12.5785 12.6871 12.6871 13.4635 13.4635 13.9281 13.9281 k = 0.5000 0.2887 0.1019 ( 3574 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0973 -14.0973 -14.0373 -14.0373 -12.8550 -12.8550 -12.7643 -12.7643 -12.2943 -12.2943 -12.1945 -12.1945 -9.3827 -9.3827 -7.9953 -7.9953 -7.8112 -7.8112 -7.3327 -7.3327 1.7694 1.7694 2.6869 2.6869 3.0503 3.0503 3.7216 3.7216 4.1289 4.1289 5.0444 5.0444 5.1141 5.1141 5.7775 5.7775 6.0801 6.0801 6.3056 6.3056 6.8377 6.8377 6.9975 6.9975 12.2267 12.2267 12.5712 12.5712 12.6551 12.6551 13.4789 13.4789 13.9329 13.9329 k = 0.5000 0.2887 0.0906 ( 3578 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0970 -14.0970 -14.0375 -14.0375 -12.8548 -12.8548 -12.7646 -12.7646 -12.2944 -12.2944 -12.1947 -12.1947 -9.3803 -9.3803 -7.9992 -7.9992 -7.8140 -7.8140 -7.3281 -7.3281 1.7694 1.7694 2.7047 2.7047 3.0501 3.0501 3.7193 3.7193 4.0848 4.0848 5.0563 5.0563 5.1203 5.1203 5.7957 5.7957 6.0552 6.0552 6.3050 6.3050 6.8346 6.8346 7.0295 7.0295 12.2258 12.2258 12.5641 12.5641 12.6239 12.6239 13.4934 13.4934 13.9208 13.9208 k = 0.5000 0.2887 0.0792 ( 3568 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0968 -14.0968 -14.0377 -14.0377 -12.8546 -12.8546 -12.7649 -12.7649 -12.2945 -12.2945 -12.1949 -12.1949 -9.3780 -9.3780 -8.0030 -8.0030 -7.8164 -7.8164 -7.3238 -7.3238 1.7694 1.7694 2.7223 2.7223 3.0502 3.0502 3.7172 3.7172 4.0434 4.0434 5.0669 5.0669 5.1263 5.1263 5.8132 5.8132 6.0320 6.0320 6.3044 6.3044 6.8315 6.8315 7.0589 7.0589 12.2255 12.2255 12.5572 12.5572 12.5944 12.5944 13.5068 13.5068 13.9008 13.9008 k = 0.5000 0.2887 0.0679 ( 3564 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0965 -14.0965 -14.0378 -14.0378 -12.8544 -12.8544 -12.7652 -12.7652 -12.2945 -12.2945 -12.1951 -12.1951 -9.3759 -9.3759 -8.0066 -8.0066 -7.8186 -7.8186 -7.3199 -7.3199 1.7694 1.7694 2.7391 2.7391 3.0504 3.0504 3.7152 3.7152 4.0053 4.0053 5.0761 5.0761 5.1318 5.1318 5.8298 5.8298 6.0104 6.0104 6.3039 6.3039 6.8287 6.8287 7.0853 7.0853 12.2259 12.2259 12.5498 12.5498 12.5679 12.5679 13.5190 13.5190 13.8812 13.8812 k = 0.5000 0.2887 0.0566 ( 3556 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0963 -14.0963 -14.0379 -14.0379 -12.8542 -12.8542 -12.7654 -12.7654 -12.2946 -12.2946 -12.1953 -12.1953 -9.3740 -9.3740 -8.0099 -8.0099 -7.8204 -7.8204 -7.3165 -7.3165 1.7695 1.7695 2.7546 2.7546 3.0508 3.0508 3.7134 3.7134 3.9712 3.9712 5.0840 5.0840 5.1368 5.1368 5.8454 5.8454 5.9906 5.9906 6.3034 6.3034 6.8261 6.8261 7.1084 7.1084 12.2270 12.2270 12.5363 12.5363 12.5509 12.5509 13.5298 13.5298 13.8637 13.8637 k = 0.5000 0.2887 0.0453 ( 3558 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0962 -14.0962 -14.0381 -14.0381 -12.8540 -12.8540 -12.7656 -12.7656 -12.2947 -12.2947 -12.1955 -12.1955 -9.3723 -9.3723 -8.0127 -8.0127 -7.8219 -7.8219 -7.3136 -7.3136 1.7695 1.7695 2.7682 2.7682 3.0513 3.0513 3.7120 3.7120 3.9419 3.9419 5.0906 5.0906 5.1410 5.1410 5.8600 5.8600 5.9725 5.9725 6.3030 6.3030 6.8239 6.8239 7.1278 7.1278 12.2285 12.2285 12.5163 12.5163 12.5444 12.5444 13.5389 13.5389 13.8490 13.8490 k = 0.5000 0.2887 0.0340 ( 3558 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0960 -14.0960 -14.0382 -14.0382 -12.8539 -12.8539 -12.7657 -12.7657 -12.2947 -12.2947 -12.1956 -12.1956 -9.3710 -9.3710 -8.0150 -8.0150 -7.8230 -7.8230 -7.3113 -7.3113 1.7695 1.7695 2.7794 2.7794 3.0518 3.0518 3.7108 3.7108 3.9182 3.9182 5.0957 5.0957 5.1445 5.1445 5.8739 5.8739 5.9560 5.9560 6.3027 6.3027 6.8221 6.8221 7.1431 7.1431 12.2303 12.2303 12.4985 12.4985 12.5404 12.5404 13.5462 13.5462 13.8373 13.8373 k = 0.5000 0.2887 0.0226 ( 3558 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0959 -14.0959 -14.0383 -14.0383 -12.8538 -12.8538 -12.7659 -12.7659 -12.2947 -12.2947 -12.1957 -12.1957 -9.3701 -9.3701 -8.0166 -8.0166 -7.8238 -7.8238 -7.3097 -7.3097 1.7695 1.7695 2.7878 2.7878 3.0523 3.0523 3.7099 3.7099 3.9008 3.9008 5.0994 5.0994 5.1470 5.1470 5.8871 5.8871 5.9408 5.9408 6.3025 6.3025 6.8208 6.8208 7.1543 7.1543 12.2320 12.2320 12.4851 12.4851 12.5376 12.5376 13.5515 13.5515 13.8288 13.8288 k = 0.5000 0.2887 0.0113 ( 3558 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0958 -14.0958 -14.0383 -14.0383 -12.8538 -12.8538 -12.7659 -12.7659 -12.2948 -12.2948 -12.1957 -12.1957 -9.3695 -9.3695 -8.0177 -8.0177 -7.8243 -7.8243 -7.3087 -7.3087 1.7695 1.7695 2.7930 2.7930 3.0527 3.0527 3.7094 3.7094 3.8900 3.8900 5.1017 5.1017 5.1486 5.1486 5.8998 5.8998 5.9269 5.9269 6.3023 6.3023 6.8200 6.8200 7.1610 7.1610 12.2332 12.2332 12.4767 12.4767 12.5360 12.5360 13.5548 13.5548 13.8237 13.8237 k = 0.5000 0.2887-0.0000 ( 3554 PWs) bands (ev): -32.6072 -32.6072 -32.5916 -32.5916 -14.0958 -14.0958 -14.0383 -14.0383 -12.8538 -12.8538 -12.7659 -12.7659 -12.2948 -12.2948 -12.1958 -12.1958 -9.3693 -9.3693 -8.0180 -8.0180 -7.8245 -7.8245 -7.3083 -7.3083 1.7695 1.7695 2.7948 2.7948 3.0528 3.0528 3.7092 3.7092 3.8864 3.8864 5.1024 5.1024 5.1491 5.1491 5.9100 5.9100 5.9164 5.9164 6.3023 6.3023 6.8198 6.8198 7.1633 7.1633 12.2337 12.2337 12.4738 12.4738 12.5354 12.5354 13.5559 13.5559 13.8220 13.8220 k = 0.3333 0.5774-0.0000 ( 3546 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1912 -14.1912 -13.8548 -13.8548 -13.1829 -13.1829 -12.5177 -12.5177 -12.5034 -12.5034 -12.2948 -12.2948 -9.3189 -9.3189 -7.8084 -7.8084 -7.6045 -7.6045 -7.4718 -7.4718 1.8344 1.8344 3.1416 3.1416 3.1416 3.1416 3.1897 3.1897 4.5669 4.5669 4.5799 4.5799 4.7530 4.7530 5.8235 5.8235 5.8429 5.8429 6.5856 6.5856 7.0089 7.0089 7.0113 7.0113 11.5493 11.5493 12.5681 12.5681 12.5765 12.5765 13.2201 13.2201 14.1616 14.1616 k = 0.3333 0.5774 0.0113 ( 3540 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1912 -14.1912 -13.8548 -13.8548 -13.1829 -13.1829 -12.5177 -12.5177 -12.5034 -12.5034 -12.2948 -12.2948 -9.3189 -9.3189 -7.8084 -7.8084 -7.6045 -7.6045 -7.4718 -7.4718 1.8345 1.8345 3.1406 3.1406 3.1407 3.1407 3.1896 3.1896 4.5696 4.5696 4.5825 4.5825 4.7530 4.7530 5.8226 5.8226 5.8420 5.8420 6.5856 6.5856 7.0074 7.0074 7.0099 7.0099 11.5498 11.5498 12.5693 12.5693 12.5777 12.5777 13.2191 13.2191 14.1633 14.1633 k = 0.3333 0.5774 0.0226 ( 3546 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1912 -14.1912 -13.8548 -13.8548 -13.1829 -13.1829 -12.5177 -12.5177 -12.5033 -12.5033 -12.2948 -12.2948 -9.3188 -9.3188 -7.8084 -7.8084 -7.6045 -7.6045 -7.4719 -7.4719 1.8347 1.8347 3.1378 3.1378 3.1380 3.1380 3.1893 3.1893 4.5773 4.5773 4.5901 4.5901 4.7532 4.7532 5.8200 5.8200 5.8394 5.8394 6.5854 6.5854 7.0032 7.0032 7.0057 7.0057 11.5514 11.5514 12.5728 12.5728 12.5812 12.5812 13.2163 13.2163 14.1682 14.1682 k = 0.3333 0.5774 0.0340 ( 3555 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1912 -14.1912 -13.8548 -13.8548 -13.1829 -13.1829 -12.5177 -12.5177 -12.5033 -12.5033 -12.2949 -12.2949 -9.3186 -9.3186 -7.8084 -7.8084 -7.6045 -7.6045 -7.4720 -7.4720 1.8350 1.8350 3.1331 3.1331 3.1336 3.1336 3.1889 3.1889 4.5901 4.5901 4.6027 4.6027 4.7534 4.7534 5.8156 5.8156 5.8350 5.8350 6.5852 6.5852 6.9963 6.9963 6.9988 6.9988 11.5539 11.5539 12.5785 12.5785 12.5869 12.5869 13.2117 13.2117 14.1763 14.1763 k = 0.3333 0.5774 0.0453 ( 3555 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1912 -14.1912 -13.8548 -13.8548 -13.1829 -13.1829 -12.5177 -12.5177 -12.5033 -12.5033 -12.2950 -12.2950 -9.3185 -9.3185 -7.8084 -7.8084 -7.6045 -7.6045 -7.4722 -7.4722 1.8355 1.8355 3.1269 3.1269 3.1276 3.1276 3.1883 3.1883 4.6077 4.6077 4.6199 4.6199 4.7538 4.7538 5.8095 5.8095 5.8288 5.8288 6.5849 6.5849 6.9869 6.9869 6.9894 6.9894 11.5574 11.5574 12.5863 12.5863 12.5947 12.5947 13.2054 13.2054 14.1877 14.1877 k = 0.3333 0.5774 0.0566 ( 3549 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1912 -14.1912 -13.8548 -13.8548 -13.1829 -13.1829 -12.5177 -12.5177 -12.5032 -12.5032 -12.2951 -12.2951 -9.3182 -9.3182 -7.8084 -7.8084 -7.6045 -7.6045 -7.4725 -7.4725 1.8361 1.8361 3.1193 3.1193 3.1203 3.1203 3.1875 3.1875 4.6298 4.6298 4.6414 4.6414 4.7543 4.7543 5.8014 5.8014 5.8207 5.8207 6.5845 6.5845 6.9752 6.9752 6.9777 6.9777 11.5618 11.5618 12.5960 12.5960 12.6044 12.6044 13.1976 13.1976 14.2022 14.2022 k = 0.3333 0.5774 0.0679 ( 3549 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1912 -14.1912 -13.8548 -13.8548 -13.1829 -13.1829 -12.5176 -12.5176 -12.5032 -12.5032 -12.2952 -12.2952 -9.3179 -9.3179 -7.8084 -7.8084 -7.6046 -7.6046 -7.4727 -7.4727 1.8368 1.8368 3.1106 3.1106 3.1118 3.1118 3.1867 3.1867 4.6560 4.6560 4.6666 4.6666 4.7552 4.7552 5.7915 5.7915 5.8107 5.8107 6.5841 6.5841 6.9615 6.9615 6.9640 6.9640 11.5670 11.5670 12.6074 12.6074 12.6156 12.6156 13.1884 13.1884 14.2198 14.2198 k = 0.3333 0.5774 0.0792 ( 3561 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1913 -14.1913 -13.8548 -13.8548 -13.1829 -13.1829 -12.5176 -12.5176 -12.5031 -12.5031 -12.2953 -12.2953 -9.3176 -9.3176 -7.8084 -7.8084 -7.6046 -7.6046 -7.4731 -7.4731 1.8375 1.8375 3.1011 3.1011 3.1026 3.1026 3.1858 3.1858 4.6859 4.6859 4.6947 4.6947 4.7570 4.7570 5.7797 5.7797 5.7988 5.7988 6.5836 6.5836 6.9462 6.9462 6.9487 6.9487 11.5728 11.5728 12.6200 12.6200 12.6282 12.6282 13.1781 13.1781 14.2403 14.2403 k = 0.3333 0.5774 0.0906 ( 3570 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1913 -14.1913 -13.8548 -13.8548 -13.1829 -13.1829 -12.5176 -12.5176 -12.5030 -12.5030 -12.2955 -12.2955 -9.3173 -9.3173 -7.8084 -7.8084 -7.6046 -7.6046 -7.4734 -7.4734 1.8384 1.8384 3.0910 3.0910 3.0927 3.0927 3.1848 3.1848 4.7190 4.7190 4.7231 4.7231 4.7617 4.7617 5.7659 5.7659 5.7849 5.7849 6.5831 6.5831 6.9297 6.9297 6.9322 6.9322 11.5792 11.5792 12.6337 12.6337 12.6419 12.6419 13.1669 13.1669 14.2636 14.2636 k = 0.3333 0.5774 0.1019 ( 3570 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1913 -14.1913 -13.8548 -13.8548 -13.1829 -13.1829 -12.5175 -12.5175 -12.5029 -12.5029 -12.2957 -12.2957 -9.3169 -9.3169 -7.8085 -7.8085 -7.6046 -7.6046 -7.4737 -7.4737 1.8393 1.8393 3.0806 3.0806 3.0826 3.0826 3.1838 3.1838 4.7423 4.7423 4.7549 4.7549 4.7784 4.7784 5.7500 5.7500 5.7691 5.7691 6.5826 6.5826 6.9123 6.9123 6.9148 6.9148 11.5860 11.5860 12.6480 12.6480 12.6561 12.6561 13.1552 13.1552 14.2895 14.2896 k = 0.3333 0.5774 0.1132 ( 3561 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1913 -14.1913 -13.8548 -13.8548 -13.1829 -13.1829 -12.5175 -12.5175 -12.5029 -12.5029 -12.2958 -12.2958 -9.3165 -9.3165 -7.8085 -7.8085 -7.6047 -7.6047 -7.4741 -7.4741 1.8402 1.8402 3.0702 3.0702 3.0725 3.0725 3.1828 3.1828 4.7483 4.7483 4.7930 4.7930 4.8104 4.8104 5.7322 5.7322 5.7512 5.7512 6.5821 6.5821 6.8946 6.8946 6.8971 6.8971 11.5931 11.5931 12.6627 12.6627 12.6707 12.6707 13.1431 13.1431 14.3180 14.3180 k = 0.3333 0.5774 0.1245 ( 3567 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1913 -14.1913 -13.8548 -13.8548 -13.1829 -13.1829 -12.5175 -12.5175 -12.5028 -12.5028 -12.2960 -12.2960 -9.3161 -9.3161 -7.8085 -7.8085 -7.6047 -7.6047 -7.4745 -7.4745 1.8411 1.8411 3.0601 3.0601 3.0626 3.0626 3.1818 3.1818 4.7504 4.7504 4.8328 4.8328 4.8480 4.8480 5.7125 5.7125 5.7314 5.7314 6.5816 6.5816 6.8769 6.8769 6.8795 6.8795 11.6002 11.6002 12.6772 12.6772 12.6852 12.6852 13.1310 13.1310 14.3486 14.3486 k = 0.3333 0.5774 0.1358 ( 3564 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1913 -14.1913 -13.8548 -13.8548 -13.1829 -13.1829 -12.5174 -12.5174 -12.5027 -12.5027 -12.2961 -12.2961 -9.3158 -9.3158 -7.8085 -7.8085 -7.6047 -7.6047 -7.4748 -7.4748 1.8420 1.8420 3.0504 3.0504 3.0532 3.0532 3.1808 3.1808 4.7515 4.7515 4.8735 4.8735 4.8877 4.8877 5.6910 5.6910 5.7098 5.7098 6.5811 6.5811 6.8598 6.8598 6.8624 6.8624 11.6072 11.6072 12.6914 12.6914 12.6994 12.6994 13.1192 13.1192 14.3812 14.3813 k = 0.3333 0.5774 0.1472 ( 3564 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1914 -14.1914 -13.8548 -13.8548 -13.1829 -13.1829 -12.5174 -12.5174 -12.5026 -12.5026 -12.2963 -12.2963 -9.3154 -9.3154 -7.8086 -7.8086 -7.6047 -7.6047 -7.4752 -7.4752 1.8428 1.8428 3.0414 3.0414 3.0444 3.0444 3.1799 3.1799 4.7522 4.7522 4.9146 4.9146 4.9280 4.9280 5.6680 5.6680 5.6868 5.6868 6.5807 6.5807 6.8435 6.8435 6.8462 6.8462 11.6140 11.6140 12.7048 12.7048 12.7127 12.7127 13.1080 13.1080 14.4153 14.4154 k = 0.3333 0.5774 0.1585 ( 3546 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1914 -14.1914 -13.8547 -13.8547 -13.1829 -13.1829 -12.5173 -12.5173 -12.5025 -12.5025 -12.2964 -12.2964 -9.3151 -9.3151 -7.8086 -7.8086 -7.6048 -7.6048 -7.4755 -7.4755 1.8436 1.8436 3.0333 3.0333 3.0365 3.0365 3.1790 3.1790 4.7527 4.7527 4.9551 4.9551 4.9679 4.9679 5.6440 5.6440 5.6628 5.6628 6.5803 6.5803 6.8286 6.8286 6.8313 6.8313 11.6203 11.6203 12.7172 12.7172 12.7251 12.7251 13.0976 13.0976 14.4506 14.4507 k = 0.3333 0.5774 0.1698 ( 3543 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1914 -14.1914 -13.8547 -13.8547 -13.1829 -13.1829 -12.5173 -12.5173 -12.5025 -12.5025 -12.2965 -12.2965 -9.3148 -9.3148 -7.8086 -7.8086 -7.6048 -7.6048 -7.4757 -7.4757 1.8443 1.8443 3.0262 3.0262 3.0295 3.0295 3.1782 3.1782 4.7531 4.7531 4.9941 4.9941 5.0063 5.0063 5.6195 5.6195 5.6384 5.6384 6.5800 6.5800 6.8154 6.8154 6.8181 6.8181 11.6260 11.6260 12.7282 12.7282 12.7360 12.7360 13.0883 13.0883 14.4864 14.4866 k = 0.3333 0.5774 0.1811 ( 3552 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1914 -14.1914 -13.8547 -13.8547 -13.1829 -13.1829 -12.5173 -12.5173 -12.5024 -12.5024 -12.2966 -12.2966 -9.3146 -9.3146 -7.8086 -7.8086 -7.6048 -7.6048 -7.4760 -7.4760 1.8449 1.8449 3.0202 3.0202 3.0236 3.0236 3.1776 3.1776 4.7533 4.7533 5.0301 5.0301 5.0419 5.0419 5.5957 5.5957 5.6147 5.6147 6.5797 6.5797 6.8041 6.8041 6.8069 6.8069 11.6309 11.6309 12.7375 12.7375 12.7453 12.7453 13.0803 13.0803 14.5220 14.5229 k = 0.3333 0.5774 0.1924 ( 3552 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1914 -14.1914 -13.8547 -13.8547 -13.1829 -13.1829 -12.5173 -12.5173 -12.5024 -12.5024 -12.2967 -12.2967 -9.3144 -9.3144 -7.8086 -7.8086 -7.6048 -7.6048 -7.4762 -7.4762 1.8454 1.8454 3.0154 3.0154 3.0189 3.0189 3.1771 3.1771 4.7536 4.7536 5.0618 5.0618 5.0731 5.0731 5.5739 5.5739 5.5930 5.5930 6.5796 6.5796 6.7951 6.7951 6.7979 6.7979 11.6349 11.6349 12.7450 12.7450 12.7528 12.7528 13.0739 13.0739 14.5564 14.5574 k = 0.3333 0.5774 0.2038 ( 3552 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1914 -14.1914 -13.8547 -13.8547 -13.1829 -13.1829 -12.5173 -12.5173 -12.5023 -12.5023 -12.2968 -12.2968 -9.3142 -9.3142 -7.8086 -7.8086 -7.6048 -7.6048 -7.4763 -7.4763 1.8457 1.8457 3.0119 3.0119 3.0155 3.0155 3.1767 3.1767 4.7537 4.7537 5.0869 5.0869 5.0979 5.0979 5.5559 5.5559 5.5752 5.5752 6.5794 6.5794 6.7885 6.7885 6.7914 6.7914 11.6378 11.6378 12.7505 12.7505 12.7583 12.7583 13.0691 13.0691 14.5865 14.5874 k = 0.3333 0.5774 0.2151 ( 3546 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1914 -14.1914 -13.8547 -13.8547 -13.1829 -13.1829 -12.5173 -12.5173 -12.5023 -12.5023 -12.2968 -12.2968 -9.3141 -9.3141 -7.8086 -7.8086 -7.6048 -7.6048 -7.4764 -7.4764 1.8459 1.8459 3.0098 3.0098 3.0135 3.0135 3.1764 3.1764 4.7538 4.7538 5.1032 5.1032 5.1140 5.1140 5.5439 5.5439 5.5634 5.5634 6.5793 6.5793 6.7845 6.7845 6.7874 6.7874 11.6396 11.6396 12.7538 12.7538 12.7616 12.7616 13.0663 13.0663 14.6078 14.6083 k = 0.3333 0.5774 0.2264 ( 3546 PWs) bands (ev): -32.5938 -32.5938 -32.5937 -32.5937 -14.1914 -14.1914 -13.8547 -13.8547 -13.1829 -13.1829 -12.5173 -12.5173 -12.5023 -12.5023 -12.2968 -12.2968 -9.3141 -9.3141 -7.8086 -7.8086 -7.6048 -7.6048 -7.4764 -7.4764 1.8460 1.8460 3.0091 3.0091 3.0128 3.0128 3.1763 3.1763 4.7538 4.7538 5.1089 5.1089 5.1196 5.1196 5.5396 5.5396 5.5591 5.5591 6.5793 6.5793 6.7831 6.7831 6.7861 6.7861 11.6402 11.6402 12.7550 12.7550 12.7627 12.7627 13.0653 13.0653 14.6153 14.6172 Writing output data file Y2CxNOx2.save init_run : 0.32s CPU 0.53s WALL ( 1 calls) electrons : 182.89s CPU 186.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 182.88s CPU 186.97s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 339 calls) cegterg : 169.25s CPU 171.81s WALL ( 634 calls) Called by sum_band: Called by *egterg: h_psi : 69.82s CPU 71.49s WALL ( 10062 calls) s_psi : 5.33s CPU 5.40s WALL ( 10062 calls) g_psi : 0.28s CPU 0.25s WALL ( 9089 calls) cdiaghg : 84.08s CPU 84.98s WALL ( 9428 calls) cegterg:over : 7.26s CPU 7.23s WALL ( 9089 calls) cegterg:upda : 6.31s CPU 6.43s WALL ( 9089 calls) cegterg:last : 3.04s CPU 3.05s WALL ( 1312 calls) cdiaghg:chol : 4.66s CPU 4.75s WALL ( 9428 calls) cdiaghg:inve : 3.21s CPU 3.42s WALL ( 9428 calls) cdiaghg:para : 5.11s CPU 5.38s WALL ( 18856 calls) Called by h_psi: h_psi:vloc : 56.36s CPU 57.81s WALL ( 10062 calls) h_psi:vnl : 13.18s CPU 13.41s WALL ( 10062 calls) add_vuspsi : 6.50s CPU 6.49s WALL ( 10062 calls) General routines calbec : 6.64s CPU 6.89s WALL ( 10062 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.40s CPU 52.60s WALL ( 1024904 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.24s WALL ( 678 calls) Parallel routines fft_scatter : 27.41s CPU 28.07s WALL ( 1024927 calls) PWSCF : 3m19.42s CPU 3m45.76s WALL This run was terminated on: 17:10:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=