Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:17:20 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: ./TiTe2.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 31 31 8 1457 1457 218 Max 32 32 9 1462 1462 229 Sum 1135 1135 313 52491 52491 8065 bravais-lattice index = 14 lattice parameter (alat) = 7.1375 a.u. unit-cell volume = 541.7524 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.137495 celldm(2)= 1.000000 celldm(3)= 1.720413 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.720413 ) 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 0.581256 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Ti 12.00 47.86700 Ti( 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= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0102041 0.0058913 -0.0000000), wk = 0.0028571 k( 3) = ( 0.0204082 0.0117827 -0.0000000), wk = 0.0028571 k( 4) = ( 0.0306122 0.0176740 -0.0000000), wk = 0.0028571 k( 5) = ( 0.0408163 0.0235653 -0.0000000), wk = 0.0028571 k( 6) = ( 0.0510204 0.0294566 -0.0000000), wk = 0.0028571 k( 7) = ( 0.0612245 0.0353480 -0.0000000), wk = 0.0028571 k( 8) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0028571 k( 9) = ( 0.0816327 0.0471306 -0.0000000), wk = 0.0028571 k( 10) = ( 0.0918367 0.0530220 -0.0000000), wk = 0.0028571 k( 11) = ( 0.1020408 0.0589133 -0.0000000), wk = 0.0028571 k( 12) = ( 0.1122449 0.0648046 -0.0000000), wk = 0.0028571 k( 13) = ( 0.1224490 0.0706960 -0.0000000), wk = 0.0028571 k( 14) = ( 0.1326531 0.0765873 -0.0000000), wk = 0.0028571 k( 15) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0028571 k( 16) = ( 0.1530612 0.0883699 -0.0000000), wk = 0.0028571 k( 17) = ( 0.1632653 0.0942613 -0.0000000), wk = 0.0028571 k( 18) = ( 0.1734694 0.1001526 -0.0000000), wk = 0.0028571 k( 19) = ( 0.1836735 0.1060439 -0.0000000), wk = 0.0028571 k( 20) = ( 0.1938776 0.1119353 -0.0000000), wk = 0.0028571 k( 21) = ( 0.2040816 0.1178266 -0.0000000), wk = 0.0028571 k( 22) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0028571 k( 23) = ( 0.2244898 0.1296092 -0.0000000), wk = 0.0028571 k( 24) = ( 0.2346939 0.1355006 -0.0000000), wk = 0.0028571 k( 25) = ( 0.2448980 0.1413919 -0.0000000), wk = 0.0028571 k( 26) = ( 0.2551020 0.1472832 -0.0000000), wk = 0.0028571 k( 27) = ( 0.2653061 0.1531746 -0.0000000), wk = 0.0028571 k( 28) = ( 0.2755102 0.1590659 -0.0000000), wk = 0.0028571 k( 29) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0028571 k( 30) = ( 0.2959184 0.1708486 -0.0000000), wk = 0.0028571 k( 31) = ( 0.3061224 0.1767399 -0.0000000), wk = 0.0028571 k( 32) = ( 0.3163265 0.1826312 -0.0000000), wk = 0.0028571 k( 33) = ( 0.3265306 0.1885225 -0.0000000), wk = 0.0028571 k( 34) = ( 0.3367347 0.1944139 -0.0000000), wk = 0.0028571 k( 35) = ( 0.3469388 0.2003052 -0.0000000), wk = 0.0028571 k( 36) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0028571 k( 37) = ( 0.3673469 0.2120879 -0.0000000), wk = 0.0028571 k( 38) = ( 0.3775510 0.2179792 -0.0000000), wk = 0.0028571 k( 39) = ( 0.3877551 0.2238705 -0.0000000), wk = 0.0028571 k( 40) = ( 0.3979592 0.2297618 -0.0000000), wk = 0.0028571 k( 41) = ( 0.4081633 0.2356532 -0.0000000), wk = 0.0028571 k( 42) = ( 0.4183674 0.2415445 -0.0000000), wk = 0.0028571 k( 43) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0028571 k( 44) = ( 0.4387755 0.2533272 -0.0000000), wk = 0.0028571 k( 45) = ( 0.4489796 0.2592185 -0.0000000), wk = 0.0028571 k( 46) = ( 0.4591837 0.2651098 -0.0000000), wk = 0.0028571 k( 47) = ( 0.4693878 0.2710011 -0.0000000), wk = 0.0028571 k( 48) = ( 0.4795918 0.2768925 -0.0000000), wk = 0.0028571 k( 49) = ( 0.4897959 0.2827838 -0.0000000), wk = 0.0028571 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028571 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028571 k( 52) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0028571 k( 53) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0028571 k( 54) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0028571 k( 55) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0028571 k( 56) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0028571 k( 57) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0028571 k( 58) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0028571 k( 59) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0028571 k( 60) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0028571 k( 61) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0028571 k( 62) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0028571 k( 63) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0028571 k( 64) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0028571 k( 65) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028571 k( 66) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0028571 k( 67) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0028571 k( 68) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0028571 k( 69) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0028571 k( 70) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0028571 k( 71) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0028571 k( 72) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0028571 k( 73) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0028571 k( 74) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0028571 k( 75) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0028571 k( 76) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0028571 k( 77) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0028571 k( 78) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0028571 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028571 k( 80) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028571 k( 81) = ( 0.3273810 0.5670404 -0.0000000), wk = 0.0028571 k( 82) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0028571 k( 83) = ( 0.3154762 0.5464208 -0.0000000), wk = 0.0028571 k( 84) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0028571 k( 85) = ( 0.3035714 0.5258011 -0.0000000), wk = 0.0028571 k( 86) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0028571 k( 87) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0028571 k( 88) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0028571 k( 89) = ( 0.2797619 0.4845618 -0.0000000), wk = 0.0028571 k( 90) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0028571 k( 91) = ( 0.2678571 0.4639422 -0.0000000), wk = 0.0028571 k( 92) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0028571 k( 93) = ( 0.2559524 0.4433225 -0.0000000), wk = 0.0028571 k( 94) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0028571 k( 95) = ( 0.2440476 0.4227029 -0.0000000), wk = 0.0028571 k( 96) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0028571 k( 97) = ( 0.2321429 0.4020832 -0.0000000), wk = 0.0028571 k( 98) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0028571 k( 99) = ( 0.2202381 0.3814636 -0.0000000), wk = 0.0028571 k( 100) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0028571 k( 101) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0028571 k( 102) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0028571 k( 103) = ( 0.1964286 0.3402243 -0.0000000), wk = 0.0028571 k( 104) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0028571 k( 105) = ( 0.1845238 0.3196046 -0.0000000), wk = 0.0028571 k( 106) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0028571 k( 107) = ( 0.1726190 0.2989850 -0.0000000), wk = 0.0028571 k( 108) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0028571 k( 109) = ( 0.1607143 0.2783653 -0.0000000), wk = 0.0028571 k( 110) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0028571 k( 111) = ( 0.1488095 0.2577456 -0.0000000), wk = 0.0028571 k( 112) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0028571 k( 113) = ( 0.1369048 0.2371260 -0.0000000), wk = 0.0028571 k( 114) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0028571 k( 115) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0028571 k( 116) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0028571 k( 117) = ( 0.1130952 0.1958867 -0.0000000), wk = 0.0028571 k( 118) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0028571 k( 119) = ( 0.1011905 0.1752671 -0.0000000), wk = 0.0028571 k( 120) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0028571 k( 121) = ( 0.0892857 0.1546474 -0.0000000), wk = 0.0028571 k( 122) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0028571 k( 123) = ( 0.0773810 0.1340277 -0.0000000), wk = 0.0028571 k( 124) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0028571 k( 125) = ( 0.0654762 0.1134081 -0.0000000), wk = 0.0028571 k( 126) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0028571 k( 127) = ( 0.0535714 0.0927884 -0.0000000), wk = 0.0028571 k( 128) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0028571 k( 129) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0028571 k( 130) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0028571 k( 131) = ( 0.0297619 0.0515491 -0.0000000), wk = 0.0028571 k( 132) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0028571 k( 133) = ( 0.0178571 0.0309295 -0.0000000), wk = 0.0028571 k( 134) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0028571 k( 135) = ( 0.0059524 0.0103098 -0.0000000), wk = 0.0028571 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 138) = ( 0.0000000 0.0000000 0.0116251), wk = 0.0028571 k( 139) = ( 0.0000000 0.0000000 0.0232502), wk = 0.0028571 k( 140) = ( 0.0000000 0.0000000 0.0348753), wk = 0.0028571 k( 141) = ( 0.0000000 0.0000000 0.0465005), wk = 0.0028571 k( 142) = ( 0.0000000 0.0000000 0.0581256), wk = 0.0028571 k( 143) = ( 0.0000000 0.0000000 0.0697507), wk = 0.0028571 k( 144) = ( 0.0000000 0.0000000 0.0813758), wk = 0.0028571 k( 145) = ( 0.0000000 0.0000000 0.0930009), wk = 0.0028571 k( 146) = ( 0.0000000 0.0000000 0.1046260), wk = 0.0028571 k( 147) = ( 0.0000000 0.0000000 0.1162512), wk = 0.0028571 k( 148) = ( 0.0000000 0.0000000 0.1278763), wk = 0.0028571 k( 149) = ( 0.0000000 0.0000000 0.1395014), wk = 0.0028571 k( 150) = ( 0.0000000 0.0000000 0.1511265), wk = 0.0028571 k( 151) = ( 0.0000000 0.0000000 0.1627516), wk = 0.0028571 k( 152) = ( 0.0000000 0.0000000 0.1743767), wk = 0.0028571 k( 153) = ( 0.0000000 0.0000000 0.1860018), wk = 0.0028571 k( 154) = ( 0.0000000 0.0000000 0.1976270), wk = 0.0028571 k( 155) = ( 0.0000000 0.0000000 0.2092521), wk = 0.0028571 k( 156) = ( 0.0000000 0.0000000 0.2208772), wk = 0.0028571 k( 157) = ( 0.0000000 0.0000000 0.2325023), wk = 0.0028571 k( 158) = ( 0.0000000 0.0000000 0.2441274), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.2557525), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.2673777), wk = 0.0028571 k( 161) = ( 0.0000000 0.0000000 0.2790028), wk = 0.0028571 k( 162) = ( 0.0000000 0.0000000 0.2906279), wk = 0.0028571 k( 163) = ( 0.0000000 0.0000000 0.2906279), wk = 0.0028571 k( 164) = ( 0.0102041 0.0058913 0.2906279), wk = 0.0028571 k( 165) = ( 0.0204082 0.0117827 0.2906279), wk = 0.0028571 k( 166) = ( 0.0306122 0.0176740 0.2906279), wk = 0.0028571 k( 167) = ( 0.0408163 0.0235653 0.2906279), wk = 0.0028571 k( 168) = ( 0.0510204 0.0294566 0.2906279), wk = 0.0028571 k( 169) = ( 0.0612245 0.0353480 0.2906279), wk = 0.0028571 k( 170) = ( 0.0714286 0.0412393 0.2906279), wk = 0.0028571 k( 171) = ( 0.0816327 0.0471306 0.2906279), wk = 0.0028571 k( 172) = ( 0.0918367 0.0530220 0.2906279), wk = 0.0028571 k( 173) = ( 0.1020408 0.0589133 0.2906279), wk = 0.0028571 k( 174) = ( 0.1122449 0.0648046 0.2906279), wk = 0.0028571 k( 175) = ( 0.1224490 0.0706960 0.2906279), wk = 0.0028571 k( 176) = ( 0.1326531 0.0765873 0.2906279), wk = 0.0028571 k( 177) = ( 0.1428571 0.0824786 0.2906279), wk = 0.0028571 k( 178) = ( 0.1530612 0.0883699 0.2906279), wk = 0.0028571 k( 179) = ( 0.1632653 0.0942613 0.2906279), wk = 0.0028571 k( 180) = ( 0.1734694 0.1001526 0.2906279), wk = 0.0028571 k( 181) = ( 0.1836735 0.1060439 0.2906279), wk = 0.0028571 k( 182) = ( 0.1938776 0.1119353 0.2906279), wk = 0.0028571 k( 183) = ( 0.2040816 0.1178266 0.2906279), wk = 0.0028571 k( 184) = ( 0.2142857 0.1237179 0.2906279), wk = 0.0028571 k( 185) = ( 0.2244898 0.1296092 0.2906279), wk = 0.0028571 k( 186) = ( 0.2346939 0.1355006 0.2906279), wk = 0.0028571 k( 187) = ( 0.2448980 0.1413919 0.2906279), wk = 0.0028571 k( 188) = ( 0.2551020 0.1472832 0.2906279), wk = 0.0028571 k( 189) = ( 0.2653061 0.1531746 0.2906279), wk = 0.0028571 k( 190) = ( 0.2755102 0.1590659 0.2906279), wk = 0.0028571 k( 191) = ( 0.2857143 0.1649572 0.2906279), wk = 0.0028571 k( 192) = ( 0.2959184 0.1708486 0.2906279), wk = 0.0028571 k( 193) = ( 0.3061224 0.1767399 0.2906279), wk = 0.0028571 k( 194) = ( 0.3163265 0.1826312 0.2906279), wk = 0.0028571 k( 195) = ( 0.3265306 0.1885225 0.2906279), wk = 0.0028571 k( 196) = ( 0.3367347 0.1944139 0.2906279), wk = 0.0028571 k( 197) = ( 0.3469388 0.2003052 0.2906279), wk = 0.0028571 k( 198) = ( 0.3571429 0.2061965 0.2906279), wk = 0.0028571 k( 199) = ( 0.3673469 0.2120879 0.2906279), wk = 0.0028571 k( 200) = ( 0.3775510 0.2179792 0.2906279), wk = 0.0028571 k( 201) = ( 0.3877551 0.2238705 0.2906279), wk = 0.0028571 k( 202) = ( 0.3979592 0.2297618 0.2906279), wk = 0.0028571 k( 203) = ( 0.4081633 0.2356532 0.2906279), wk = 0.0028571 k( 204) = ( 0.4183674 0.2415445 0.2906279), wk = 0.0028571 k( 205) = ( 0.4285714 0.2474358 0.2906279), wk = 0.0028571 k( 206) = ( 0.4387755 0.2533272 0.2906279), wk = 0.0028571 k( 207) = ( 0.4489796 0.2592185 0.2906279), wk = 0.0028571 k( 208) = ( 0.4591837 0.2651098 0.2906279), wk = 0.0028571 k( 209) = ( 0.4693878 0.2710011 0.2906279), wk = 0.0028571 k( 210) = ( 0.4795918 0.2768925 0.2906279), wk = 0.0028571 k( 211) = ( 0.4897959 0.2827838 0.2906279), wk = 0.0028571 k( 212) = ( 0.5000000 0.2886751 0.2906279), wk = 0.0028571 k( 213) = ( 0.5000000 0.2886751 0.2906279), wk = 0.0028571 k( 214) = ( 0.4940476 0.2989850 0.2906279), wk = 0.0028571 k( 215) = ( 0.4880952 0.3092948 0.2906279), wk = 0.0028571 k( 216) = ( 0.4821429 0.3196046 0.2906279), wk = 0.0028571 k( 217) = ( 0.4761905 0.3299144 0.2906279), wk = 0.0028571 k( 218) = ( 0.4702381 0.3402243 0.2906279), wk = 0.0028571 k( 219) = ( 0.4642857 0.3505341 0.2906279), wk = 0.0028571 k( 220) = ( 0.4583333 0.3608439 0.2906279), wk = 0.0028571 k( 221) = ( 0.4523810 0.3711537 0.2906279), wk = 0.0028571 k( 222) = ( 0.4464286 0.3814636 0.2906279), wk = 0.0028571 k( 223) = ( 0.4404762 0.3917734 0.2906279), wk = 0.0028571 k( 224) = ( 0.4345238 0.4020832 0.2906279), wk = 0.0028571 k( 225) = ( 0.4285714 0.4123930 0.2906279), wk = 0.0028571 k( 226) = ( 0.4226190 0.4227029 0.2906279), wk = 0.0028571 k( 227) = ( 0.4166667 0.4330127 0.2906279), wk = 0.0028571 k( 228) = ( 0.4107143 0.4433225 0.2906279), wk = 0.0028571 k( 229) = ( 0.4047619 0.4536324 0.2906279), wk = 0.0028571 k( 230) = ( 0.3988095 0.4639422 0.2906279), wk = 0.0028571 k( 231) = ( 0.3928571 0.4742520 0.2906279), wk = 0.0028571 k( 232) = ( 0.3869048 0.4845618 0.2906279), wk = 0.0028571 k( 233) = ( 0.3809524 0.4948717 0.2906279), wk = 0.0028571 k( 234) = ( 0.3750000 0.5051815 0.2906279), wk = 0.0028571 k( 235) = ( 0.3690476 0.5154913 0.2906279), wk = 0.0028571 k( 236) = ( 0.3630952 0.5258011 0.2906279), wk = 0.0028571 k( 237) = ( 0.3571429 0.5361110 0.2906279), wk = 0.0028571 k( 238) = ( 0.3511905 0.5464208 0.2906279), wk = 0.0028571 k( 239) = ( 0.3452381 0.5567306 0.2906279), wk = 0.0028571 k( 240) = ( 0.3392857 0.5670404 0.2906279), wk = 0.0028571 k( 241) = ( 0.3333333 0.5773503 0.2906279), wk = 0.0028571 k( 242) = ( 0.3333333 0.5773503 0.2906279), wk = 0.0028571 k( 243) = ( 0.3273810 0.5670404 0.2906279), wk = 0.0028571 k( 244) = ( 0.3214286 0.5567306 0.2906279), wk = 0.0028571 k( 245) = ( 0.3154762 0.5464208 0.2906279), wk = 0.0028571 k( 246) = ( 0.3095238 0.5361110 0.2906279), wk = 0.0028571 k( 247) = ( 0.3035714 0.5258011 0.2906279), wk = 0.0028571 k( 248) = ( 0.2976190 0.5154913 0.2906279), wk = 0.0028571 k( 249) = ( 0.2916667 0.5051815 0.2906279), wk = 0.0028571 k( 250) = ( 0.2857143 0.4948717 0.2906279), wk = 0.0028571 k( 251) = ( 0.2797619 0.4845618 0.2906279), wk = 0.0028571 k( 252) = ( 0.2738095 0.4742520 0.2906279), wk = 0.0028571 k( 253) = ( 0.2678571 0.4639422 0.2906279), wk = 0.0028571 k( 254) = ( 0.2619048 0.4536324 0.2906279), wk = 0.0028571 k( 255) = ( 0.2559524 0.4433225 0.2906279), wk = 0.0028571 k( 256) = ( 0.2500000 0.4330127 0.2906279), wk = 0.0028571 k( 257) = ( 0.2440476 0.4227029 0.2906279), wk = 0.0028571 k( 258) = ( 0.2380952 0.4123931 0.2906279), wk = 0.0028571 k( 259) = ( 0.2321429 0.4020832 0.2906279), wk = 0.0028571 k( 260) = ( 0.2261905 0.3917734 0.2906279), wk = 0.0028571 k( 261) = ( 0.2202381 0.3814636 0.2906279), wk = 0.0028571 k( 262) = ( 0.2142857 0.3711537 0.2906279), wk = 0.0028571 k( 263) = ( 0.2083333 0.3608439 0.2906279), wk = 0.0028571 k( 264) = ( 0.2023810 0.3505341 0.2906279), wk = 0.0028571 k( 265) = ( 0.1964286 0.3402243 0.2906279), wk = 0.0028571 k( 266) = ( 0.1904762 0.3299144 0.2906279), wk = 0.0028571 k( 267) = ( 0.1845238 0.3196046 0.2906279), wk = 0.0028571 k( 268) = ( 0.1785714 0.3092948 0.2906279), wk = 0.0028571 k( 269) = ( 0.1726190 0.2989850 0.2906279), wk = 0.0028571 k( 270) = ( 0.1666667 0.2886751 0.2906279), wk = 0.0028571 k( 271) = ( 0.1607143 0.2783653 0.2906279), wk = 0.0028571 k( 272) = ( 0.1547619 0.2680555 0.2906279), wk = 0.0028571 k( 273) = ( 0.1488095 0.2577456 0.2906279), wk = 0.0028571 k( 274) = ( 0.1428571 0.2474358 0.2906279), wk = 0.0028571 k( 275) = ( 0.1369048 0.2371260 0.2906279), wk = 0.0028571 k( 276) = ( 0.1309524 0.2268162 0.2906279), wk = 0.0028571 k( 277) = ( 0.1250000 0.2165064 0.2906279), wk = 0.0028571 k( 278) = ( 0.1190476 0.2061965 0.2906279), wk = 0.0028571 k( 279) = ( 0.1130952 0.1958867 0.2906279), wk = 0.0028571 k( 280) = ( 0.1071429 0.1855769 0.2906279), wk = 0.0028571 k( 281) = ( 0.1011905 0.1752671 0.2906279), wk = 0.0028571 k( 282) = ( 0.0952381 0.1649572 0.2906279), wk = 0.0028571 k( 283) = ( 0.0892857 0.1546474 0.2906279), wk = 0.0028571 k( 284) = ( 0.0833333 0.1443376 0.2906279), wk = 0.0028571 k( 285) = ( 0.0773810 0.1340277 0.2906279), wk = 0.0028571 k( 286) = ( 0.0714286 0.1237179 0.2906279), wk = 0.0028571 k( 287) = ( 0.0654762 0.1134081 0.2906279), wk = 0.0028571 k( 288) = ( 0.0595238 0.1030983 0.2906279), wk = 0.0028571 k( 289) = ( 0.0535714 0.0927884 0.2906279), wk = 0.0028571 k( 290) = ( 0.0476191 0.0824786 0.2906279), wk = 0.0028571 k( 291) = ( 0.0416667 0.0721688 0.2906279), wk = 0.0028571 k( 292) = ( 0.0357143 0.0618590 0.2906279), wk = 0.0028571 k( 293) = ( 0.0297619 0.0515491 0.2906279), wk = 0.0028571 k( 294) = ( 0.0238095 0.0412393 0.2906279), wk = 0.0028571 k( 295) = ( 0.0178571 0.0309295 0.2906279), wk = 0.0028571 k( 296) = ( 0.0119048 0.0206196 0.2906279), wk = 0.0028571 k( 297) = ( 0.0059524 0.0103098 0.2906279), wk = 0.0028571 k( 298) = ( 0.0000000 0.0000000 0.2906279), wk = 0.0028571 k( 299) = ( 0.5000000 0.2886751 0.2906279), wk = 0.0028571 k( 300) = ( 0.5000000 0.2886751 0.2790028), wk = 0.0028571 k( 301) = ( 0.5000000 0.2886751 0.2673777), wk = 0.0028571 k( 302) = ( 0.5000000 0.2886751 0.2557525), wk = 0.0028571 k( 303) = ( 0.5000000 0.2886751 0.2441274), wk = 0.0028571 k( 304) = ( 0.5000000 0.2886751 0.2325023), wk = 0.0028571 k( 305) = ( 0.5000000 0.2886751 0.2208772), wk = 0.0028571 k( 306) = ( 0.5000000 0.2886751 0.2092521), wk = 0.0028571 k( 307) = ( 0.5000000 0.2886751 0.1976270), wk = 0.0028571 k( 308) = ( 0.5000000 0.2886751 0.1860018), wk = 0.0028571 k( 309) = ( 0.5000000 0.2886751 0.1743767), wk = 0.0028571 k( 310) = ( 0.5000000 0.2886751 0.1627516), wk = 0.0028571 k( 311) = ( 0.5000000 0.2886751 0.1511265), wk = 0.0028571 k( 312) = ( 0.5000000 0.2886751 0.1395014), wk = 0.0028571 k( 313) = ( 0.5000000 0.2886751 0.1278763), wk = 0.0028571 k( 314) = ( 0.5000000 0.2886751 0.1162512), wk = 0.0028571 k( 315) = ( 0.5000000 0.2886751 0.1046260), wk = 0.0028571 k( 316) = ( 0.5000000 0.2886751 0.0930009), wk = 0.0028571 k( 317) = ( 0.5000000 0.2886751 0.0813758), wk = 0.0028571 k( 318) = ( 0.5000000 0.2886751 0.0697507), wk = 0.0028571 k( 319) = ( 0.5000000 0.2886751 0.0581256), wk = 0.0028571 k( 320) = ( 0.5000000 0.2886751 0.0465005), wk = 0.0028571 k( 321) = ( 0.5000000 0.2886751 0.0348753), wk = 0.0028571 k( 322) = ( 0.5000000 0.2886751 0.0232502), wk = 0.0028571 k( 323) = ( 0.5000000 0.2886751 0.0116251), wk = 0.0028571 k( 324) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028571 k( 325) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028571 k( 326) = ( 0.3333333 0.5773503 0.0116251), wk = 0.0028571 k( 327) = ( 0.3333333 0.5773503 0.0232502), wk = 0.0028571 k( 328) = ( 0.3333333 0.5773503 0.0348753), wk = 0.0028571 k( 329) = ( 0.3333333 0.5773503 0.0465005), wk = 0.0028571 k( 330) = ( 0.3333333 0.5773503 0.0581256), wk = 0.0028571 k( 331) = ( 0.3333333 0.5773503 0.0697507), wk = 0.0028571 k( 332) = ( 0.3333333 0.5773503 0.0813758), wk = 0.0028571 k( 333) = ( 0.3333333 0.5773503 0.0930009), wk = 0.0028571 k( 334) = ( 0.3333333 0.5773503 0.1046260), wk = 0.0028571 k( 335) = ( 0.3333333 0.5773503 0.1162512), wk = 0.0028571 k( 336) = ( 0.3333333 0.5773503 0.1278763), wk = 0.0028571 k( 337) = ( 0.3333333 0.5773503 0.1395014), wk = 0.0028571 k( 338) = ( 0.3333333 0.5773503 0.1511265), wk = 0.0028571 k( 339) = ( 0.3333333 0.5773503 0.1627516), wk = 0.0028571 k( 340) = ( 0.3333333 0.5773503 0.1743767), wk = 0.0028571 k( 341) = ( 0.3333333 0.5773503 0.1860018), wk = 0.0028571 k( 342) = ( 0.3333333 0.5773503 0.1976270), wk = 0.0028571 k( 343) = ( 0.3333333 0.5773503 0.2092521), wk = 0.0028571 k( 344) = ( 0.3333333 0.5773503 0.2208772), wk = 0.0028571 k( 345) = ( 0.3333333 0.5773503 0.2325023), wk = 0.0028571 k( 346) = ( 0.3333333 0.5773503 0.2441274), wk = 0.0028571 k( 347) = ( 0.3333333 0.5773503 0.2557525), wk = 0.0028571 k( 348) = ( 0.3333333 0.5773503 0.2673777), wk = 0.0028571 k( 349) = ( 0.3333333 0.5773503 0.2790028), wk = 0.0028571 k( 350) = ( 0.3333333 0.5773503 0.2906279), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0102041 -0.0000000 -0.0000000), wk = 0.0028571 k( 3) = ( 0.0204082 -0.0000000 -0.0000000), wk = 0.0028571 k( 4) = ( 0.0306122 -0.0000000 -0.0000000), wk = 0.0028571 k( 5) = ( 0.0408163 -0.0000000 -0.0000000), wk = 0.0028571 k( 6) = ( 0.0510204 -0.0000000 -0.0000000), wk = 0.0028571 k( 7) = ( 0.0612245 -0.0000000 -0.0000000), wk = 0.0028571 k( 8) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0028571 k( 9) = ( 0.0816327 -0.0000000 -0.0000000), wk = 0.0028571 k( 10) = ( 0.0918367 -0.0000000 0.0000000), wk = 0.0028571 k( 11) = ( 0.1020408 -0.0000000 -0.0000000), wk = 0.0028571 k( 12) = ( 0.1122449 -0.0000000 -0.0000000), wk = 0.0028571 k( 13) = ( 0.1224490 -0.0000000 -0.0000000), wk = 0.0028571 k( 14) = ( 0.1326531 -0.0000000 0.0000000), wk = 0.0028571 k( 15) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0028571 k( 16) = ( 0.1530612 -0.0000000 -0.0000000), wk = 0.0028571 k( 17) = ( 0.1632653 -0.0000000 -0.0000000), wk = 0.0028571 k( 18) = ( 0.1734694 -0.0000000 0.0000000), wk = 0.0028571 k( 19) = ( 0.1836735 -0.0000000 0.0000000), wk = 0.0028571 k( 20) = ( 0.1938776 -0.0000000 -0.0000000), wk = 0.0028571 k( 21) = ( 0.2040816 -0.0000000 -0.0000000), wk = 0.0028571 k( 22) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0028571 k( 23) = ( 0.2244898 -0.0000000 -0.0000000), wk = 0.0028571 k( 24) = ( 0.2346939 -0.0000000 -0.0000000), wk = 0.0028571 k( 25) = ( 0.2448980 -0.0000000 -0.0000000), wk = 0.0028571 k( 26) = ( 0.2551020 -0.0000000 -0.0000000), wk = 0.0028571 k( 27) = ( 0.2653061 -0.0000000 0.0000000), wk = 0.0028571 k( 28) = ( 0.2755102 -0.0000000 0.0000000), wk = 0.0028571 k( 29) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0028571 k( 30) = ( 0.2959184 -0.0000000 -0.0000000), wk = 0.0028571 k( 31) = ( 0.3061224 -0.0000000 0.0000000), wk = 0.0028571 k( 32) = ( 0.3163265 -0.0000000 -0.0000000), wk = 0.0028571 k( 33) = ( 0.3265306 -0.0000000 0.0000000), wk = 0.0028571 k( 34) = ( 0.3367347 -0.0000000 0.0000000), wk = 0.0028571 k( 35) = ( 0.3469388 -0.0000000 0.0000000), wk = 0.0028571 k( 36) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0028571 k( 37) = ( 0.3673469 -0.0000000 0.0000000), wk = 0.0028571 k( 38) = ( 0.3775510 -0.0000000 -0.0000000), wk = 0.0028571 k( 39) = ( 0.3877551 -0.0000000 -0.0000000), wk = 0.0028571 k( 40) = ( 0.3979592 -0.0000000 -0.0000000), wk = 0.0028571 k( 41) = ( 0.4081633 -0.0000000 -0.0000000), wk = 0.0028571 k( 42) = ( 0.4183674 -0.0000000 -0.0000000), wk = 0.0028571 k( 43) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0028571 k( 44) = ( 0.4387755 -0.0000000 -0.0000000), wk = 0.0028571 k( 45) = ( 0.4489796 -0.0000000 -0.0000000), wk = 0.0028571 k( 46) = ( 0.4591837 -0.0000000 -0.0000000), wk = 0.0028571 k( 47) = ( 0.4693878 -0.0000000 -0.0000000), wk = 0.0028571 k( 48) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0028571 k( 49) = ( 0.4897959 -0.0000000 -0.0000000), wk = 0.0028571 k( 50) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028571 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028571 k( 52) = ( 0.4940476 0.0119048 -0.0000000), wk = 0.0028571 k( 53) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0028571 k( 54) = ( 0.4821429 0.0357143 -0.0000000), wk = 0.0028571 k( 55) = ( 0.4761905 0.0476190 -0.0000000), wk = 0.0028571 k( 56) = ( 0.4702381 0.0595238 -0.0000000), wk = 0.0028571 k( 57) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0028571 k( 58) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0028571 k( 59) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0028571 k( 60) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0028571 k( 61) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0028571 k( 62) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0028571 k( 63) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0028571 k( 64) = ( 0.4226190 0.1547619 -0.0000000), wk = 0.0028571 k( 65) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0028571 k( 66) = ( 0.4107143 0.1785714 -0.0000000), wk = 0.0028571 k( 67) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0028571 k( 68) = ( 0.3988095 0.2023809 -0.0000000), wk = 0.0028571 k( 69) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0028571 k( 70) = ( 0.3869048 0.2261905 -0.0000000), wk = 0.0028571 k( 71) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0028571 k( 72) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0028571 k( 73) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0028571 k( 74) = ( 0.3630952 0.2738095 -0.0000000), wk = 0.0028571 k( 75) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0028571 k( 76) = ( 0.3511905 0.2976190 -0.0000000), wk = 0.0028571 k( 77) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0028571 k( 78) = ( 0.3392857 0.3214286 -0.0000000), wk = 0.0028571 k( 79) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028571 k( 80) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028571 k( 81) = ( 0.3273810 0.3273810 -0.0000000), wk = 0.0028571 k( 82) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028571 k( 83) = ( 0.3154762 0.3154762 0.0000000), wk = 0.0028571 k( 84) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0028571 k( 85) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0028571 k( 86) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0028571 k( 87) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0028571 k( 88) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0028571 k( 89) = ( 0.2797619 0.2797619 0.0000000), wk = 0.0028571 k( 90) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0028571 k( 91) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0028571 k( 92) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0028571 k( 93) = ( 0.2559524 0.2559524 -0.0000000), wk = 0.0028571 k( 94) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028571 k( 95) = ( 0.2440476 0.2440476 -0.0000000), wk = 0.0028571 k( 96) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0028571 k( 97) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0028571 k( 98) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0028571 k( 99) = ( 0.2202381 0.2202381 -0.0000000), wk = 0.0028571 k( 100) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0028571 k( 101) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0028571 k( 102) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0028571 k( 103) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0028571 k( 104) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0028571 k( 105) = ( 0.1845238 0.1845238 -0.0000000), wk = 0.0028571 k( 106) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028571 k( 107) = ( 0.1726190 0.1726191 0.0000000), wk = 0.0028571 k( 108) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0028571 k( 109) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0028571 k( 110) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0028571 k( 111) = ( 0.1488095 0.1488095 0.0000000), wk = 0.0028571 k( 112) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0028571 k( 113) = ( 0.1369048 0.1369048 -0.0000000), wk = 0.0028571 k( 114) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0028571 k( 115) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028571 k( 116) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0028571 k( 117) = ( 0.1130952 0.1130952 0.0000000), wk = 0.0028571 k( 118) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0028571 k( 119) = ( 0.1011905 0.1011905 -0.0000000), wk = 0.0028571 k( 120) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0028571 k( 121) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0028571 k( 122) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028571 k( 123) = ( 0.0773810 0.0773809 -0.0000000), wk = 0.0028571 k( 124) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0028571 k( 125) = ( 0.0654762 0.0654762 -0.0000000), wk = 0.0028571 k( 126) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0028571 k( 127) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0028571 k( 128) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0028571 k( 129) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0028571 k( 130) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0028571 k( 131) = ( 0.0297619 0.0297619 -0.0000000), wk = 0.0028571 k( 132) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0028571 k( 133) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0028571 k( 134) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0028571 k( 135) = ( 0.0059524 0.0059524 -0.0000000), wk = 0.0028571 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 138) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0028571 k( 139) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0028571 k( 140) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0028571 k( 141) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0028571 k( 142) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028571 k( 143) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0028571 k( 144) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0028571 k( 145) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0028571 k( 146) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0028571 k( 147) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028571 k( 148) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0028571 k( 149) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0028571 k( 150) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0028571 k( 151) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0028571 k( 152) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028571 k( 153) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0028571 k( 154) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0028571 k( 155) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0028571 k( 156) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0028571 k( 157) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028571 k( 158) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0028571 k( 161) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0028571 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 164) = ( 0.0102041 -0.0000000 0.5000000), wk = 0.0028571 k( 165) = ( 0.0204082 -0.0000000 0.5000000), wk = 0.0028571 k( 166) = ( 0.0306122 -0.0000000 0.5000000), wk = 0.0028571 k( 167) = ( 0.0408163 -0.0000000 0.5000000), wk = 0.0028571 k( 168) = ( 0.0510204 -0.0000000 0.5000000), wk = 0.0028571 k( 169) = ( 0.0612245 -0.0000000 0.5000000), wk = 0.0028571 k( 170) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0028571 k( 171) = ( 0.0816327 -0.0000000 0.5000000), wk = 0.0028571 k( 172) = ( 0.0918367 -0.0000000 0.5000000), wk = 0.0028571 k( 173) = ( 0.1020408 -0.0000000 0.5000000), wk = 0.0028571 k( 174) = ( 0.1122449 -0.0000000 0.5000000), wk = 0.0028571 k( 175) = ( 0.1224490 -0.0000000 0.5000000), wk = 0.0028571 k( 176) = ( 0.1326531 -0.0000000 0.5000000), wk = 0.0028571 k( 177) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0028571 k( 178) = ( 0.1530612 -0.0000000 0.5000000), wk = 0.0028571 k( 179) = ( 0.1632653 -0.0000000 0.5000000), wk = 0.0028571 k( 180) = ( 0.1734694 -0.0000000 0.5000000), wk = 0.0028571 k( 181) = ( 0.1836735 -0.0000000 0.5000000), wk = 0.0028571 k( 182) = ( 0.1938776 -0.0000000 0.5000000), wk = 0.0028571 k( 183) = ( 0.2040816 -0.0000000 0.5000000), wk = 0.0028571 k( 184) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0028571 k( 185) = ( 0.2244898 -0.0000000 0.5000000), wk = 0.0028571 k( 186) = ( 0.2346939 -0.0000000 0.5000000), wk = 0.0028571 k( 187) = ( 0.2448980 -0.0000000 0.5000000), wk = 0.0028571 k( 188) = ( 0.2551020 -0.0000000 0.5000000), wk = 0.0028571 k( 189) = ( 0.2653061 -0.0000000 0.5000000), wk = 0.0028571 k( 190) = ( 0.2755102 -0.0000000 0.5000000), wk = 0.0028571 k( 191) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0028571 k( 192) = ( 0.2959184 -0.0000000 0.5000000), wk = 0.0028571 k( 193) = ( 0.3061224 -0.0000000 0.5000000), wk = 0.0028571 k( 194) = ( 0.3163265 -0.0000000 0.5000000), wk = 0.0028571 k( 195) = ( 0.3265306 -0.0000000 0.5000000), wk = 0.0028571 k( 196) = ( 0.3367347 -0.0000000 0.5000000), wk = 0.0028571 k( 197) = ( 0.3469388 -0.0000000 0.5000000), wk = 0.0028571 k( 198) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0028571 k( 199) = ( 0.3673469 -0.0000000 0.5000000), wk = 0.0028571 k( 200) = ( 0.3775510 -0.0000000 0.5000000), wk = 0.0028571 k( 201) = ( 0.3877551 -0.0000000 0.5000000), wk = 0.0028571 k( 202) = ( 0.3979592 -0.0000000 0.5000000), wk = 0.0028571 k( 203) = ( 0.4081633 -0.0000000 0.5000000), wk = 0.0028571 k( 204) = ( 0.4183674 -0.0000000 0.5000000), wk = 0.0028571 k( 205) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0028571 k( 206) = ( 0.4387755 -0.0000000 0.5000000), wk = 0.0028571 k( 207) = ( 0.4489796 -0.0000000 0.5000000), wk = 0.0028571 k( 208) = ( 0.4591837 -0.0000000 0.5000000), wk = 0.0028571 k( 209) = ( 0.4693878 -0.0000000 0.5000000), wk = 0.0028571 k( 210) = ( 0.4795918 0.0000000 0.5000000), wk = 0.0028571 k( 211) = ( 0.4897959 -0.0000000 0.5000000), wk = 0.0028571 k( 212) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028571 k( 213) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028571 k( 214) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0028571 k( 215) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0028571 k( 216) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0028571 k( 217) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0028571 k( 218) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0028571 k( 219) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0028571 k( 220) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0028571 k( 221) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0028571 k( 222) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0028571 k( 223) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0028571 k( 224) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0028571 k( 225) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0028571 k( 226) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0028571 k( 227) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028571 k( 228) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0028571 k( 229) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0028571 k( 230) = ( 0.3988095 0.2023809 0.5000000), wk = 0.0028571 k( 231) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0028571 k( 232) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0028571 k( 233) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0028571 k( 234) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0028571 k( 235) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0028571 k( 236) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0028571 k( 237) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0028571 k( 238) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0028571 k( 239) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0028571 k( 240) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0028571 k( 241) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028571 k( 242) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028571 k( 243) = ( 0.3273810 0.3273810 0.5000000), wk = 0.0028571 k( 244) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0028571 k( 245) = ( 0.3154762 0.3154762 0.5000000), wk = 0.0028571 k( 246) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0028571 k( 247) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0028571 k( 248) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0028571 k( 249) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0028571 k( 250) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0028571 k( 251) = ( 0.2797619 0.2797619 0.5000000), wk = 0.0028571 k( 252) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0028571 k( 253) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0028571 k( 254) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0028571 k( 255) = ( 0.2559524 0.2559524 0.5000000), wk = 0.0028571 k( 256) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028571 k( 257) = ( 0.2440476 0.2440476 0.5000000), wk = 0.0028571 k( 258) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0028571 k( 259) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0028571 k( 260) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0028571 k( 261) = ( 0.2202381 0.2202381 0.5000000), wk = 0.0028571 k( 262) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0028571 k( 263) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0028571 k( 264) = ( 0.2023810 0.2023809 0.5000000), wk = 0.0028571 k( 265) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0028571 k( 266) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0028571 k( 267) = ( 0.1845238 0.1845238 0.5000000), wk = 0.0028571 k( 268) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0028571 k( 269) = ( 0.1726190 0.1726191 0.5000000), wk = 0.0028571 k( 270) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028571 k( 271) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0028571 k( 272) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0028571 k( 273) = ( 0.1488095 0.1488095 0.5000000), wk = 0.0028571 k( 274) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0028571 k( 275) = ( 0.1369048 0.1369048 0.5000000), wk = 0.0028571 k( 276) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0028571 k( 277) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028571 k( 278) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0028571 k( 279) = ( 0.1130952 0.1130952 0.5000000), wk = 0.0028571 k( 280) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0028571 k( 281) = ( 0.1011905 0.1011905 0.5000000), wk = 0.0028571 k( 282) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0028571 k( 283) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0028571 k( 284) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028571 k( 285) = ( 0.0773810 0.0773809 0.5000000), wk = 0.0028571 k( 286) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0028571 k( 287) = ( 0.0654762 0.0654762 0.5000000), wk = 0.0028571 k( 288) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0028571 k( 289) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0028571 k( 290) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0028571 k( 291) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0028571 k( 292) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0028571 k( 293) = ( 0.0297619 0.0297619 0.5000000), wk = 0.0028571 k( 294) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0028571 k( 295) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0028571 k( 296) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0028571 k( 297) = ( 0.0059524 0.0059524 0.5000000), wk = 0.0028571 k( 298) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 299) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028571 k( 300) = ( 0.5000000 -0.0000000 0.4800000), wk = 0.0028571 k( 301) = ( 0.5000000 -0.0000000 0.4600000), wk = 0.0028571 k( 302) = ( 0.5000000 -0.0000000 0.4400000), wk = 0.0028571 k( 303) = ( 0.5000000 -0.0000000 0.4200000), wk = 0.0028571 k( 304) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0028571 k( 305) = ( 0.5000000 -0.0000000 0.3800000), wk = 0.0028571 k( 306) = ( 0.5000000 -0.0000000 0.3600000), wk = 0.0028571 k( 307) = ( 0.5000000 -0.0000000 0.3400000), wk = 0.0028571 k( 308) = ( 0.5000000 -0.0000000 0.3200000), wk = 0.0028571 k( 309) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0028571 k( 310) = ( 0.5000000 -0.0000000 0.2800000), wk = 0.0028571 k( 311) = ( 0.5000000 -0.0000000 0.2600000), wk = 0.0028571 k( 312) = ( 0.5000000 -0.0000000 0.2400000), wk = 0.0028571 k( 313) = ( 0.5000000 -0.0000000 0.2200000), wk = 0.0028571 k( 314) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0028571 k( 315) = ( 0.5000000 -0.0000000 0.1800000), wk = 0.0028571 k( 316) = ( 0.5000000 -0.0000000 0.1600000), wk = 0.0028571 k( 317) = ( 0.5000000 -0.0000000 0.1400000), wk = 0.0028571 k( 318) = ( 0.5000000 -0.0000000 0.1200000), wk = 0.0028571 k( 319) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0028571 k( 320) = ( 0.5000000 -0.0000000 0.0800000), wk = 0.0028571 k( 321) = ( 0.5000000 -0.0000000 0.0600000), wk = 0.0028571 k( 322) = ( 0.5000000 -0.0000000 0.0400000), wk = 0.0028571 k( 323) = ( 0.5000000 -0.0000000 0.0200000), wk = 0.0028571 k( 324) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028571 k( 325) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028571 k( 326) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0028571 k( 327) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0028571 k( 328) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0028571 k( 329) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0028571 k( 330) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0028571 k( 331) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0028571 k( 332) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0028571 k( 333) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0028571 k( 334) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0028571 k( 335) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0028571 k( 336) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0028571 k( 337) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0028571 k( 338) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0028571 k( 339) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0028571 k( 340) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0028571 k( 341) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0028571 k( 342) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0028571 k( 343) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0028571 k( 344) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0028571 k( 345) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0028571 k( 346) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0028571 k( 347) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0028571 k( 348) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0028571 k( 349) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0028571 k( 350) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028571 Dense grid: 52491 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 376, 32) NL pseudopotentials 0.29 Mb ( 188, 102) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1460) G-vector shells 0.01 Mb ( 716) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.73 Mb ( 376, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.10 Mb ( 102, 2, 32) The potential is recalculated from file : ./TiTe2.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 16 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.6 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.3 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 6.0 secs Computing kpt #: 14 total cpu time spent up to now is 6.3 secs Computing kpt #: 15 total cpu time spent up to now is 6.6 secs Computing kpt #: 16 total cpu time spent up to now is 7.0 secs Computing kpt #: 17 total cpu time spent up to now is 7.3 secs Computing kpt #: 18 total cpu time spent up to now is 7.6 secs Computing kpt #: 19 total cpu time spent up to now is 8.0 secs Computing kpt #: 20 total cpu time spent up to now is 8.3 secs Computing kpt #: 21 total cpu time spent up to now is 8.7 secs Computing kpt #: 22 total cpu time spent up to now is 9.0 secs Computing kpt #: 23 total cpu time spent up to now is 9.4 secs Computing kpt #: 24 total cpu time spent up to now is 9.7 secs Computing kpt #: 25 total cpu time spent up to now is 10.0 secs Computing kpt #: 26 total cpu time spent up to now is 10.4 secs Computing kpt #: 27 total cpu time spent up to now is 10.7 secs Computing kpt #: 28 total cpu time spent up to now is 11.1 secs Computing kpt #: 29 total cpu time spent up to now is 11.4 secs Computing kpt #: 30 total cpu time spent up to now is 11.7 secs Computing kpt #: 31 total cpu time spent up to now is 12.1 secs Computing kpt #: 32 total cpu time spent up to now is 12.4 secs Computing kpt #: 33 total cpu time spent up to now is 12.8 secs Computing kpt #: 34 total cpu time spent up to now is 13.1 secs Computing kpt #: 35 total cpu time spent up to now is 13.5 secs Computing kpt #: 36 total cpu time spent up to now is 13.8 secs Computing kpt #: 37 total cpu time spent up to now is 14.2 secs Computing kpt #: 38 total cpu time spent up to now is 14.5 secs Computing kpt #: 39 total cpu time spent up to now is 14.9 secs Computing kpt #: 40 total cpu time spent up to now is 15.2 secs Computing kpt #: 41 total cpu time spent up to now is 15.5 secs Computing kpt #: 42 total cpu time spent up to now is 15.9 secs Computing kpt #: 43 total cpu time spent up to now is 16.2 secs Computing kpt #: 44 total cpu time spent up to now is 16.6 secs Computing kpt #: 45 total cpu time spent up to now is 16.9 secs Computing kpt #: 46 total cpu time spent up to now is 17.3 secs Computing kpt #: 47 total cpu time spent up to now is 17.6 secs Computing kpt #: 48 total cpu time spent up to now is 18.0 secs Computing kpt #: 49 total cpu time spent up to now is 18.4 secs Computing kpt #: 50 total cpu time spent up to now is 18.9 secs Computing kpt #: 51 total cpu time spent up to now is 19.2 secs Computing kpt #: 52 total cpu time spent up to now is 19.7 secs Computing kpt #: 53 total cpu time spent up to now is 20.1 secs Computing kpt #: 54 total cpu time spent up to now is 20.6 secs Computing kpt #: 55 total cpu time spent up to now is 21.0 secs Computing kpt #: 56 total cpu time spent up to now is 21.3 secs Computing kpt #: 57 total cpu time spent up to now is 21.7 secs Computing kpt #: 58 total cpu time spent up to now is 22.0 secs Computing kpt #: 59 total cpu time spent up to now is 22.4 secs Computing kpt #: 60 total cpu time spent up to now is 22.8 secs Computing kpt #: 61 total cpu time spent up to now is 23.2 secs Computing kpt #: 62 total cpu time spent up to now is 23.7 secs Computing kpt #: 63 total cpu time spent up to now is 24.2 secs Computing kpt #: 64 total cpu time spent up to now is 24.6 secs Computing kpt #: 65 total cpu time spent up to now is 25.1 secs Computing kpt #: 66 total cpu time spent up to now is 25.5 secs Computing kpt #: 67 total cpu time spent up to now is 25.9 secs Computing kpt #: 68 total cpu time spent up to now is 26.3 secs Computing kpt #: 69 total cpu time spent up to now is 26.8 secs Computing kpt #: 70 total cpu time spent up to now is 27.2 secs Computing kpt #: 71 total cpu time spent up to now is 27.7 secs Computing kpt #: 72 total cpu time spent up to now is 28.2 secs Computing kpt #: 73 total cpu time spent up to now is 28.5 secs Computing kpt #: 74 total cpu time spent up to now is 29.0 secs Computing kpt #: 75 total cpu time spent up to now is 29.5 secs Computing kpt #: 76 total cpu time spent up to now is 30.0 secs Computing kpt #: 77 total cpu time spent up to now is 30.5 secs Computing kpt #: 78 total cpu time spent up to now is 31.0 secs Computing kpt #: 79 total cpu time spent up to now is 31.6 secs Computing kpt #: 80 total cpu time spent up to now is 32.1 secs Computing kpt #: 81 total cpu time spent up to now is 32.6 secs Computing kpt #: 82 total cpu time spent up to now is 33.1 secs Computing kpt #: 83 total cpu time spent up to now is 33.5 secs Computing kpt #: 84 total cpu time spent up to now is 34.0 secs Computing kpt #: 85 total cpu time spent up to now is 34.4 secs Computing kpt #: 86 total cpu time spent up to now is 34.8 secs Computing kpt #: 87 total cpu time spent up to now is 35.2 secs Computing kpt #: 88 total cpu time spent up to now is 35.6 secs Computing kpt #: 89 total cpu time spent up to now is 36.1 secs Computing kpt #: 90 total cpu time spent up to now is 36.5 secs Computing kpt #: 91 total cpu time spent up to now is 36.9 secs Computing kpt #: 92 total cpu time spent up to now is 37.3 secs Computing kpt #: 93 total cpu time spent up to now is 37.6 secs Computing kpt #: 94 total cpu time spent up to now is 38.0 secs Computing kpt #: 95 total cpu time spent up to now is 38.4 secs Computing kpt #: 96 total cpu time spent up to now is 38.8 secs Computing kpt #: 97 total cpu time spent up to now is 39.1 secs Computing kpt #: 98 total cpu time spent up to now is 39.5 secs Computing kpt #: 99 total cpu time spent up to now is 39.8 secs Computing kpt #: 100 total cpu time spent up to now is 40.2 secs Computing kpt #: 101 total cpu time spent up to now is 40.5 secs Computing kpt #: 102 total cpu time spent up to now is 40.8 secs Computing kpt #: 103 total cpu time spent up to now is 41.2 secs Computing kpt #: 104 total cpu time spent up to now is 41.5 secs Computing kpt #: 105 total cpu time spent up to now is 41.8 secs Computing kpt #: 106 total cpu time spent up to now is 42.2 secs Computing kpt #: 107 total cpu time spent up to now is 42.5 secs Computing kpt #: 108 total cpu time spent up to now is 42.9 secs Computing kpt #: 109 total cpu time spent up to now is 43.2 secs Computing kpt #: 110 total cpu time spent up to now is 43.5 secs Computing kpt #: 111 total cpu time spent up to now is 43.9 secs Computing kpt #: 112 total cpu time spent up to now is 44.2 secs Computing kpt #: 113 total cpu time spent up to now is 44.6 secs Computing kpt #: 114 total cpu time spent up to now is 44.9 secs Computing kpt #: 115 total cpu time spent up to now is 45.2 secs Computing kpt #: 116 total cpu time spent up to now is 45.6 secs Computing kpt #: 117 total cpu time spent up to now is 45.9 secs Computing kpt #: 118 total cpu time spent up to now is 46.3 secs Computing kpt #: 119 total cpu time spent up to now is 46.6 secs Computing kpt #: 120 total cpu time spent up to now is 47.0 secs Computing kpt #: 121 total cpu time spent up to now is 47.4 secs Computing kpt #: 122 total cpu time spent up to now is 47.7 secs Computing kpt #: 123 total cpu time spent up to now is 48.0 secs Computing kpt #: 124 total cpu time spent up to now is 48.5 secs Computing kpt #: 125 total cpu time spent up to now is 48.8 secs Computing kpt #: 126 total cpu time spent up to now is 49.1 secs Computing kpt #: 127 total cpu time spent up to now is 49.5 secs Computing kpt #: 128 total cpu time spent up to now is 49.8 secs Computing kpt #: 129 total cpu time spent up to now is 50.2 secs Computing kpt #: 130 total cpu time spent up to now is 50.5 secs Computing kpt #: 131 total cpu time spent up to now is 50.8 secs Computing kpt #: 132 total cpu time spent up to now is 51.2 secs Computing kpt #: 133 total cpu time spent up to now is 51.5 secs Computing kpt #: 134 total cpu time spent up to now is 51.9 secs Computing kpt #: 135 total cpu time spent up to now is 52.3 secs Computing kpt #: 136 total cpu time spent up to now is 52.7 secs Computing kpt #: 137 total cpu time spent up to now is 53.3 secs Computing kpt #: 138 total cpu time spent up to now is 53.9 secs Computing kpt #: 139 total cpu time spent up to now is 54.4 secs Computing kpt #: 140 total cpu time spent up to now is 54.8 secs Computing kpt #: 141 total cpu time spent up to now is 55.2 secs Computing kpt #: 142 total cpu time spent up to now is 55.6 secs Computing kpt #: 143 total cpu time spent up to now is 56.0 secs Computing kpt #: 144 total cpu time spent up to now is 56.4 secs Computing kpt #: 145 total cpu time spent up to now is 56.8 secs Computing kpt #: 146 total cpu time spent up to now is 57.2 secs Computing kpt #: 147 total cpu time spent up to now is 57.7 secs Computing kpt #: 148 total cpu time spent up to now is 58.1 secs Computing kpt #: 149 total cpu time spent up to now is 58.5 secs Computing kpt #: 150 total cpu time spent up to now is 59.0 secs Computing kpt #: 151 total cpu time spent up to now is 59.4 secs Computing kpt #: 152 total cpu time spent up to now is 59.9 secs Computing kpt #: 153 total cpu time spent up to now is 60.3 secs Computing kpt #: 154 total cpu time spent up to now is 60.8 secs Computing kpt #: 155 total cpu time spent up to now is 61.2 secs Computing kpt #: 156 total cpu time spent up to now is 61.6 secs Computing kpt #: 157 total cpu time spent up to now is 62.1 secs Computing kpt #: 158 total cpu time spent up to now is 62.5 secs Computing kpt #: 159 total cpu time spent up to now is 62.9 secs Computing kpt #: 160 total cpu time spent up to now is 63.3 secs Computing kpt #: 161 total cpu time spent up to now is 63.7 secs Computing kpt #: 162 total cpu time spent up to now is 64.0 secs Computing kpt #: 163 total cpu time spent up to now is 64.4 secs Computing kpt #: 164 total cpu time spent up to now is 64.7 secs Computing kpt #: 165 total cpu time spent up to now is 65.1 secs Computing kpt #: 166 total cpu time spent up to now is 65.4 secs Computing kpt #: 167 total cpu time spent up to now is 65.8 secs Computing kpt #: 168 total cpu time spent up to now is 66.1 secs Computing kpt #: 169 total cpu time spent up to now is 66.4 secs Computing kpt #: 170 total cpu time spent up to now is 66.8 secs Computing kpt #: 171 total cpu time spent up to now is 67.1 secs Computing kpt #: 172 total cpu time spent up to now is 67.5 secs Computing kpt #: 173 total cpu time spent up to now is 67.8 secs Computing kpt #: 174 total cpu time spent up to now is 68.1 secs Computing kpt #: 175 total cpu time spent up to now is 68.5 secs Computing kpt #: 176 total cpu time spent up to now is 68.8 secs Computing kpt #: 177 total cpu time spent up to now is 69.2 secs Computing kpt #: 178 total cpu time spent up to now is 69.5 secs Computing kpt #: 179 total cpu time spent up to now is 69.9 secs Computing kpt #: 180 total cpu time spent up to now is 70.2 secs Computing kpt #: 181 total cpu time spent up to now is 70.5 secs Computing kpt #: 182 total cpu time spent up to now is 70.9 secs Computing kpt #: 183 total cpu time spent up to now is 71.2 secs Computing kpt #: 184 total cpu time spent up to now is 71.6 secs Computing kpt #: 185 total cpu time spent up to now is 71.9 secs Computing kpt #: 186 total cpu time spent up to now is 72.3 secs Computing kpt #: 187 total cpu time spent up to now is 72.6 secs Computing kpt #: 188 total cpu time spent up to now is 73.0 secs Computing kpt #: 189 total cpu time spent up to now is 73.3 secs Computing kpt #: 190 total cpu time spent up to now is 73.7 secs Computing kpt #: 191 total cpu time spent up to now is 74.1 secs Computing kpt #: 192 total cpu time spent up to now is 74.6 secs Computing kpt #: 193 total cpu time spent up to now is 75.1 secs Computing kpt #: 194 total cpu time spent up to now is 75.6 secs Computing kpt #: 195 total cpu time spent up to now is 76.1 secs Computing kpt #: 196 total cpu time spent up to now is 76.6 secs Computing kpt #: 197 total cpu time spent up to now is 77.2 secs Computing kpt #: 198 total cpu time spent up to now is 77.7 secs Computing kpt #: 199 total cpu time spent up to now is 78.2 secs Computing kpt #: 200 total cpu time spent up to now is 78.7 secs Computing kpt #: 201 total cpu time spent up to now is 79.2 secs Computing kpt #: 202 total cpu time spent up to now is 79.6 secs Computing kpt #: 203 total cpu time spent up to now is 80.1 secs Computing kpt #: 204 total cpu time spent up to now is 80.5 secs Computing kpt #: 205 total cpu time spent up to now is 81.0 secs Computing kpt #: 206 total cpu time spent up to now is 81.5 secs Computing kpt #: 207 total cpu time spent up to now is 81.8 secs Computing kpt #: 208 total cpu time spent up to now is 82.3 secs Computing kpt #: 209 total cpu time spent up to now is 82.7 secs Computing kpt #: 210 total cpu time spent up to now is 83.1 secs Computing kpt #: 211 total cpu time spent up to now is 83.4 secs Computing kpt #: 212 total cpu time spent up to now is 83.8 secs Computing kpt #: 213 total cpu time spent up to now is 84.2 secs Computing kpt #: 214 total cpu time spent up to now is 84.7 secs Computing kpt #: 215 total cpu time spent up to now is 85.1 secs Computing kpt #: 216 total cpu time spent up to now is 85.5 secs Computing kpt #: 217 total cpu time spent up to now is 85.9 secs Computing kpt #: 218 total cpu time spent up to now is 86.4 secs Computing kpt #: 219 total cpu time spent up to now is 86.8 secs Computing kpt #: 220 total cpu time spent up to now is 87.2 secs Computing kpt #: 221 total cpu time spent up to now is 87.7 secs Computing kpt #: 222 total cpu time spent up to now is 88.1 secs Computing kpt #: 223 total cpu time spent up to now is 88.5 secs Computing kpt #: 224 total cpu time spent up to now is 88.9 secs Computing kpt #: 225 total cpu time spent up to now is 89.2 secs Computing kpt #: 226 total cpu time spent up to now is 89.6 secs Computing kpt #: 227 total cpu time spent up to now is 89.9 secs Computing kpt #: 228 total cpu time spent up to now is 90.3 secs Computing kpt #: 229 total cpu time spent up to now is 90.7 secs Computing kpt #: 230 total cpu time spent up to now is 91.0 secs Computing kpt #: 231 total cpu time spent up to now is 91.4 secs Computing kpt #: 232 total cpu time spent up to now is 91.7 secs Computing kpt #: 233 total cpu time spent up to now is 92.1 secs Computing kpt #: 234 total cpu time spent up to now is 92.4 secs Computing kpt #: 235 total cpu time spent up to now is 92.8 secs Computing kpt #: 236 total cpu time spent up to now is 93.1 secs Computing kpt #: 237 total cpu time spent up to now is 93.5 secs Computing kpt #: 238 total cpu time spent up to now is 93.8 secs Computing kpt #: 239 total cpu time spent up to now is 94.2 secs Computing kpt #: 240 total cpu time spent up to now is 94.5 secs Computing kpt #: 241 total cpu time spent up to now is 94.9 secs Computing kpt #: 242 total cpu time spent up to now is 95.3 secs Computing kpt #: 243 total cpu time spent up to now is 95.7 secs Computing kpt #: 244 total cpu time spent up to now is 96.0 secs Computing kpt #: 245 total cpu time spent up to now is 96.4 secs Computing kpt #: 246 total cpu time spent up to now is 96.7 secs Computing kpt #: 247 total cpu time spent up to now is 97.1 secs Computing kpt #: 248 total cpu time spent up to now is 97.4 secs Computing kpt #: 249 total cpu time spent up to now is 97.8 secs Computing kpt #: 250 total cpu time spent up to now is 98.1 secs Computing kpt #: 251 total cpu time spent up to now is 98.5 secs Computing kpt #: 252 total cpu time spent up to now is 98.8 secs Computing kpt #: 253 total cpu time spent up to now is 99.2 secs Computing kpt #: 254 total cpu time spent up to now is 99.5 secs Computing kpt #: 255 total cpu time spent up to now is 99.9 secs Computing kpt #: 256 total cpu time spent up to now is 100.2 secs Computing kpt #: 257 total cpu time spent up to now is 100.6 secs Computing kpt #: 258 total cpu time spent up to now is 100.9 secs Computing kpt #: 259 total cpu time spent up to now is 101.2 secs Computing kpt #: 260 total cpu time spent up to now is 101.6 secs Computing kpt #: 261 total cpu time spent up to now is 101.9 secs Computing kpt #: 262 total cpu time spent up to now is 102.3 secs Computing kpt #: 263 total cpu time spent up to now is 102.6 secs Computing kpt #: 264 total cpu time spent up to now is 103.0 secs Computing kpt #: 265 total cpu time spent up to now is 103.3 secs Computing kpt #: 266 total cpu time spent up to now is 103.7 secs Computing kpt #: 267 total cpu time spent up to now is 104.0 secs Computing kpt #: 268 total cpu time spent up to now is 104.4 secs Computing kpt #: 269 total cpu time spent up to now is 104.7 secs Computing kpt #: 270 total cpu time spent up to now is 105.1 secs Computing kpt #: 271 total cpu time spent up to now is 105.4 secs Computing kpt #: 272 total cpu time spent up to now is 105.8 secs Computing kpt #: 273 total cpu time spent up to now is 106.2 secs Computing kpt #: 274 total cpu time spent up to now is 106.6 secs Computing kpt #: 275 total cpu time spent up to now is 107.0 secs Computing kpt #: 276 total cpu time spent up to now is 107.3 secs Computing kpt #: 277 total cpu time spent up to now is 107.7 secs Computing kpt #: 278 total cpu time spent up to now is 108.0 secs Computing kpt #: 279 total cpu time spent up to now is 108.4 secs Computing kpt #: 280 total cpu time spent up to now is 108.8 secs Computing kpt #: 281 total cpu time spent up to now is 109.1 secs Computing kpt #: 282 total cpu time spent up to now is 109.5 secs Computing kpt #: 283 total cpu time spent up to now is 109.8 secs Computing kpt #: 284 total cpu time spent up to now is 110.2 secs Computing kpt #: 285 total cpu time spent up to now is 110.5 secs Computing kpt #: 286 total cpu time spent up to now is 110.8 secs Computing kpt #: 287 total cpu time spent up to now is 111.2 secs Computing kpt #: 288 total cpu time spent up to now is 111.5 secs Computing kpt #: 289 total cpu time spent up to now is 111.9 secs Computing kpt #: 290 total cpu time spent up to now is 112.2 secs Computing kpt #: 291 total cpu time spent up to now is 112.5 secs Computing kpt #: 292 total cpu time spent up to now is 112.9 secs Computing kpt #: 293 total cpu time spent up to now is 113.2 secs Computing kpt #: 294 total cpu time spent up to now is 113.6 secs Computing kpt #: 295 total cpu time spent up to now is 113.9 secs Computing kpt #: 296 total cpu time spent up to now is 114.2 secs Computing kpt #: 297 total cpu time spent up to now is 114.6 secs Computing kpt #: 298 total cpu time spent up to now is 114.9 secs Computing kpt #: 299 total cpu time spent up to now is 115.4 secs Computing kpt #: 300 total cpu time spent up to now is 115.8 secs Computing kpt #: 301 total cpu time spent up to now is 116.2 secs Computing kpt #: 302 total cpu time spent up to now is 116.7 secs Computing kpt #: 303 total cpu time spent up to now is 117.1 secs Computing kpt #: 304 total cpu time spent up to now is 117.6 secs Computing kpt #: 305 total cpu time spent up to now is 118.1 secs Computing kpt #: 306 total cpu time spent up to now is 118.6 secs Computing kpt #: 307 total cpu time spent up to now is 119.0 secs Computing kpt #: 308 total cpu time spent up to now is 119.5 secs Computing kpt #: 309 total cpu time spent up to now is 120.0 secs Computing kpt #: 310 total cpu time spent up to now is 120.5 secs Computing kpt #: 311 total cpu time spent up to now is 121.0 secs Computing kpt #: 312 total cpu time spent up to now is 121.5 secs Computing kpt #: 313 total cpu time spent up to now is 121.9 secs Computing kpt #: 314 total cpu time spent up to now is 122.4 secs Computing kpt #: 315 total cpu time spent up to now is 122.8 secs Computing kpt #: 316 total cpu time spent up to now is 123.3 secs Computing kpt #: 317 total cpu time spent up to now is 123.7 secs Computing kpt #: 318 total cpu time spent up to now is 124.2 secs Computing kpt #: 319 total cpu time spent up to now is 124.7 secs Computing kpt #: 320 total cpu time spent up to now is 125.2 secs Computing kpt #: 321 total cpu time spent up to now is 125.6 secs Computing kpt #: 322 total cpu time spent up to now is 126.0 secs Computing kpt #: 323 total cpu time spent up to now is 126.5 secs Computing kpt #: 324 total cpu time spent up to now is 126.9 secs Computing kpt #: 325 total cpu time spent up to now is 127.4 secs Computing kpt #: 326 total cpu time spent up to now is 128.0 secs Computing kpt #: 327 total cpu time spent up to now is 128.5 secs Computing kpt #: 328 total cpu time spent up to now is 129.0 secs Computing kpt #: 329 total cpu time spent up to now is 129.6 secs Computing kpt #: 330 total cpu time spent up to now is 130.1 secs Computing kpt #: 331 total cpu time spent up to now is 130.7 secs Computing kpt #: 332 total cpu time spent up to now is 131.2 secs Computing kpt #: 333 total cpu time spent up to now is 131.7 secs Computing kpt #: 334 total cpu time spent up to now is 132.3 secs Computing kpt #: 335 total cpu time spent up to now is 132.7 secs Computing kpt #: 336 total cpu time spent up to now is 133.2 secs Computing kpt #: 337 total cpu time spent up to now is 133.6 secs Computing kpt #: 338 total cpu time spent up to now is 134.1 secs Computing kpt #: 339 total cpu time spent up to now is 134.5 secs Computing kpt #: 340 total cpu time spent up to now is 135.1 secs Computing kpt #: 341 total cpu time spent up to now is 135.5 secs Computing kpt #: 342 total cpu time spent up to now is 136.0 secs Computing kpt #: 343 total cpu time spent up to now is 136.5 secs Computing kpt #: 344 total cpu time spent up to now is 137.0 secs Computing kpt #: 345 total cpu time spent up to now is 137.4 secs Computing kpt #: 346 total cpu time spent up to now is 137.8 secs Computing kpt #: 347 total cpu time spent up to now is 138.2 secs Computing kpt #: 348 total cpu time spent up to now is 138.6 secs Computing kpt #: 349 total cpu time spent up to now is 139.0 secs Computing kpt #: 350 total cpu time spent up to now is 139.3 secs ethr = 4.17E-08, avg # of iterations = 21.5 total cpu time spent up to now is 139.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6557 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.4156 -4.4156 -2.9055 -2.9055 2.7235 2.7235 6.1501 6.1501 6.4391 6.4391 8.0799 8.0799 8.3242 8.3242 8.3827 8.3827 8.3933 8.3933 9.1245 9.1245 9.4144 9.4144 10.8318 10.8318 k = 0.0102 0.0059-0.0000 ( 6549 PWs) bands (ev): -49.5192 -49.5192 -26.1907 -26.1907 -25.5460 -25.5460 -25.5225 -25.5225 -4.4144 -4.4144 -2.9049 -2.9049 2.7249 2.7249 6.1486 6.1486 6.4376 6.4376 8.0714 8.0714 8.3241 8.3241 8.3849 8.3849 8.3909 8.3909 9.1239 9.1239 9.4119 9.4119 10.8305 10.8305 k = 0.0204 0.0118-0.0000 ( 6549 PWs) bands (ev): -49.5192 -49.5192 -26.1908 -26.1908 -25.5460 -25.5460 -25.5225 -25.5225 -4.4109 -4.4109 -2.9031 -2.9031 2.7291 2.7291 6.1440 6.1440 6.4332 6.4332 8.0470 8.0470 8.3223 8.3223 8.3809 8.3809 8.3945 8.3945 9.1218 9.1218 9.4046 9.4046 10.8267 10.8267 k = 0.0306 0.0177-0.0000 ( 6541 PWs) bands (ev): -49.5192 -49.5192 -26.1909 -26.1909 -25.5462 -25.5462 -25.5225 -25.5225 -4.4051 -4.4051 -2.9001 -2.9001 2.7361 2.7361 6.1359 6.1359 6.4263 6.4263 8.0091 8.0091 8.3158 8.3158 8.3689 8.3689 8.4063 8.4063 9.1177 9.1177 9.3940 9.3940 10.8203 10.8203 k = 0.0408 0.0236-0.0000 ( 6537 PWs) bands (ev): -49.5192 -49.5192 -26.1910 -26.1910 -25.5464 -25.5464 -25.5225 -25.5225 -4.3970 -4.3970 -2.8958 -2.8958 2.7460 2.7460 6.1239 6.1239 6.4175 6.4175 7.9597 7.9597 8.3006 8.3006 8.3566 8.3566 8.4200 8.4200 9.1108 9.1108 9.3820 9.3820 10.8113 10.8113 k = 0.0510 0.0295-0.0000 ( 6535 PWs) bands (ev): -49.5192 -49.5192 -26.1911 -26.1911 -25.5466 -25.5466 -25.5225 -25.5225 -4.3866 -4.3866 -2.8904 -2.8904 2.7586 2.7586 6.1075 6.1075 6.4077 6.4077 7.9001 7.9001 8.2743 8.2743 8.3470 8.3470 8.4332 8.4332 9.1006 9.1006 9.3707 9.3707 10.7997 10.7997 k = 0.0612 0.0353-0.0000 ( 6535 PWs) bands (ev): -49.5191 -49.5191 -26.1912 -26.1912 -25.5469 -25.5469 -25.5225 -25.5225 -4.3738 -4.3738 -2.8839 -2.8839 2.7739 2.7739 6.0862 6.0862 6.3977 6.3977 7.8309 7.8309 8.2382 8.2382 8.3395 8.3395 8.4442 8.4442 9.0873 9.0873 9.3614 9.3614 10.7858 10.7858 k = 0.0714 0.0412-0.0000 ( 6545 PWs) bands (ev): -49.5191 -49.5191 -26.1914 -26.1914 -25.5473 -25.5473 -25.5225 -25.5225 -4.3588 -4.3588 -2.8761 -2.8761 2.7921 2.7921 6.0595 6.0595 6.3883 6.3883 7.7521 7.7521 8.1947 8.1947 8.3328 8.3328 8.4515 8.4515 9.0717 9.0717 9.3548 9.3548 10.7703 10.7703 k = 0.0816 0.0471-0.0000 ( 6537 PWs) bands (ev): -49.5191 -49.5191 -26.1916 -26.1916 -25.5477 -25.5477 -25.5226 -25.5226 -4.3415 -4.3415 -2.8673 -2.8673 2.8129 2.8129 6.0272 6.0272 6.3799 6.3799 7.6640 7.6640 8.1456 8.1456 8.3260 8.3260 8.4537 8.4537 9.0554 9.0554 9.3506 9.3506 10.7540 10.7540 k = 0.0918 0.0530-0.0000 ( 6527 PWs) bands (ev): -49.5190 -49.5190 -26.1919 -26.1919 -25.5481 -25.5481 -25.5226 -25.5226 -4.3220 -4.3220 -2.8574 -2.8574 2.8365 2.8365 5.9894 5.9894 6.3729 6.3729 7.5666 7.5666 8.0924 8.0924 8.3185 8.3185 8.4498 8.4498 9.0400 9.0400 9.3480 9.3480 10.7381 10.7381 k = 0.1020 0.0589-0.0000 ( 6523 PWs) bands (ev): -49.5190 -49.5190 -26.1921 -26.1921 -25.5486 -25.5486 -25.5226 -25.5226 -4.3003 -4.3003 -2.8463 -2.8463 2.8628 2.8628 5.9463 5.9463 6.3674 6.3674 7.4603 7.4603 8.0365 8.0365 8.3101 8.3101 8.4388 8.4388 9.0270 9.0270 9.3464 9.3464 10.7239 10.7239 k = 0.1122 0.0648-0.0000 ( 6535 PWs) bands (ev): -49.5189 -49.5189 -26.1924 -26.1924 -25.5492 -25.5492 -25.5226 -25.5226 -4.2764 -4.2764 -2.8343 -2.8343 2.8917 2.8917 5.8982 5.8982 6.3632 6.3632 7.3460 7.3460 7.9787 7.9787 8.3002 8.3002 8.4206 8.4206 9.0175 9.0175 9.3449 9.3449 10.7125 10.7125 k = 0.1224 0.0707-0.0000 ( 6543 PWs) bands (ev): -49.5188 -49.5188 -26.1927 -26.1927 -25.5498 -25.5498 -25.5226 -25.5226 -4.2503 -4.2503 -2.8213 -2.8213 2.9233 2.9233 5.8458 5.8458 6.3602 6.3602 7.2245 7.2245 7.9200 7.9200 8.2878 8.2878 8.3955 8.3955 9.0120 9.0120 9.3432 9.3432 10.7047 10.7047 k = 0.1327 0.0766-0.0000 ( 6543 PWs) bands (ev): -49.5188 -49.5188 -26.1930 -26.1930 -25.5504 -25.5504 -25.5226 -25.5226 -4.2222 -4.2222 -2.8073 -2.8073 2.9574 2.9574 5.7893 5.7893 6.3580 6.3580 7.0969 7.0969 7.8608 7.8608 8.2709 8.2709 8.3659 8.3659 9.0104 9.0104 9.3408 9.3408 10.7011 10.7011 k = 0.1429 0.0825-0.0000 ( 6543 PWs) bands (ev): -49.5187 -49.5187 -26.1934 -26.1934 -25.5511 -25.5511 -25.5226 -25.5226 -4.1919 -4.1919 -2.7925 -2.7925 2.9941 2.9941 5.7292 5.7292 6.3566 6.3566 6.9643 6.9643 7.8015 7.8015 8.2455 8.2455 8.3362 8.3362 9.0125 9.0125 9.3375 9.3375 10.7019 10.7019 k = 0.1531 0.0884-0.0000 ( 6543 PWs) bands (ev): -49.5186 -49.5186 -26.1937 -26.1937 -25.5518 -25.5518 -25.5226 -25.5226 -4.1596 -4.1596 -2.7768 -2.7768 3.0332 3.0332 5.6657 5.6657 6.3555 6.3555 6.8282 6.8282 7.7424 7.7424 8.2074 8.2074 8.3114 8.3114 9.0179 9.0179 9.3332 9.3332 10.7070 10.7070 k = 0.1633 0.0943-0.0000 ( 6547 PWs) bands (ev): -49.5185 -49.5185 -26.1941 -26.1941 -25.5525 -25.5525 -25.5226 -25.5226 -4.1254 -4.1254 -2.7603 -2.7603 3.0748 3.0748 5.5992 5.5992 6.3545 6.3545 6.6897 6.6897 7.6835 7.6835 8.1567 8.1567 8.2925 8.2925 9.0260 9.0260 9.3280 9.3280 10.7161 10.7161 k = 0.1735 0.1002-0.0000 ( 6543 PWs) bands (ev): -49.5184 -49.5184 -26.1945 -26.1945 -25.5533 -25.5533 -25.5226 -25.5226 -4.0892 -4.0892 -2.7431 -2.7431 3.1188 3.1188 5.5297 5.5297 6.3527 6.3527 6.5508 6.5508 7.6250 7.6250 8.0967 8.0967 8.2772 8.2772 9.0364 9.0364 9.3218 9.3218 10.7288 10.7288 k = 0.1837 0.1060-0.0000 ( 6545 PWs) bands (ev): -49.5183 -49.5183 -26.1949 -26.1949 -25.5541 -25.5541 -25.5226 -25.5226 -4.0511 -4.0511 -2.7253 -2.7253 3.1651 3.1651 5.4574 5.4574 6.3437 6.3437 6.4188 6.4188 7.5668 7.5668 8.0303 8.0303 8.2635 8.2635 9.0486 9.0486 9.3147 9.3147 10.7444 10.7444 k = 0.1939 0.1119-0.0000 ( 6549 PWs) bands (ev): -49.5183 -49.5183 -26.1953 -26.1953 -25.5549 -25.5549 -25.5226 -25.5226 -4.0112 -4.0112 -2.7069 -2.7069 3.2136 3.2136 5.3822 5.3822 6.2571 6.2571 6.3650 6.3650 7.5089 7.5089 7.9598 7.9598 8.2506 8.2506 9.0622 9.0622 9.3069 9.3069 10.7621 10.7621 k = 0.2041 0.1178-0.0000 ( 6550 PWs) bands (ev): -49.5182 -49.5182 -26.1958 -26.1958 -25.5558 -25.5558 -25.5226 -25.5226 -3.9696 -3.9696 -2.6880 -2.6880 3.2643 3.2643 5.3040 5.3040 6.1233 6.1233 6.3601 6.3601 7.4512 7.4512 7.8864 7.8864 8.2381 8.2381 9.0771 9.0771 9.2986 9.2986 10.7813 10.7813 k = 0.2143 0.1237-0.0000 ( 6550 PWs) bands (ev): -49.5181 -49.5181 -26.1962 -26.1962 -25.5567 -25.5567 -25.5226 -25.5226 -3.9263 -3.9263 -2.6688 -2.6688 3.3170 3.3170 5.2227 5.2227 5.9889 5.9889 6.3583 6.3583 7.3934 7.3934 7.8116 7.8116 8.2257 8.2257 9.0928 9.0928 9.2900 9.2900 10.8012 10.8012 k = 0.2245 0.1296-0.0000 ( 6554 PWs) bands (ev): -49.5180 -49.5180 -26.1967 -26.1967 -25.5576 -25.5576 -25.5226 -25.5226 -3.8814 -3.8814 -2.6492 -2.6492 3.3716 3.3716 5.1379 5.1379 5.8577 5.8577 6.3569 6.3569 7.3353 7.3353 7.7365 7.7365 8.2134 8.2134 9.1091 9.1091 9.2813 9.2813 10.8210 10.8210 k = 0.2347 0.1355-0.0000 ( 6554 PWs) bands (ev): -49.5179 -49.5179 -26.1971 -26.1971 -25.5585 -25.5585 -25.5225 -25.5225 -3.8350 -3.8350 -2.6295 -2.6295 3.4280 3.4280 5.0495 5.0495 5.7312 5.7312 6.3553 6.3553 7.2765 7.2765 7.6621 7.6621 8.2011 8.2011 9.1255 9.1255 9.2731 9.2731 10.8399 10.8399 k = 0.2449 0.1414-0.0000 ( 6554 PWs) bands (ev): -49.5178 -49.5178 -26.1976 -26.1976 -25.5594 -25.5594 -25.5225 -25.5225 -3.7873 -3.7873 -2.6096 -2.6096 3.4860 3.4860 4.9573 4.9573 5.6105 5.6105 6.3532 6.3532 7.2168 7.2168 7.5896 7.5896 8.1889 8.1889 9.1415 9.1415 9.2658 9.2658 10.8573 10.8573 k = 0.2551 0.1473-0.0000 ( 6554 PWs) bands (ev): -49.5177 -49.5177 -26.1981 -26.1981 -25.5603 -25.5603 -25.5225 -25.5225 -3.7382 -3.7382 -2.5899 -2.5899 3.5453 3.5453 4.8613 4.8613 5.4963 5.4963 6.3507 6.3507 7.1556 7.1556 7.5198 7.5198 8.1768 8.1768 9.1563 9.1563 9.2603 9.2603 10.8724 10.8724 k = 0.2653 0.1532-0.0000 ( 6552 PWs) bands (ev): -49.5176 -49.5176 -26.1985 -26.1985 -25.5612 -25.5612 -25.5225 -25.5225 -3.6879 -3.6879 -2.5703 -2.5703 3.6057 3.6057 4.7619 4.7619 5.3892 5.3892 6.3475 6.3475 7.0927 7.0927 7.4536 7.4536 8.1648 8.1648 9.1684 9.1684 9.2581 9.2581 10.8845 10.8845 k = 0.2755 0.1591-0.0000 ( 6550 PWs) bands (ev): -49.5175 -49.5175 -26.1990 -26.1990 -25.5621 -25.5621 -25.5224 -25.5224 -3.6365 -3.6365 -2.5510 -2.5510 3.6667 3.6667 4.6599 4.6599 5.2892 5.2892 6.3436 6.3436 7.0278 7.0278 7.3918 7.3918 8.1529 8.1529 9.1762 9.1762 9.2608 9.2608 10.8928 10.8928 k = 0.2857 0.1650-0.0000 ( 6550 PWs) bands (ev): -49.5174 -49.5174 -26.1994 -26.1994 -25.5629 -25.5629 -25.5224 -25.5224 -3.5842 -3.5842 -2.5321 -2.5321 3.7275 3.7275 4.5565 4.5565 5.1963 5.1963 6.3390 6.3390 6.9608 6.9608 7.3346 7.3346 8.1413 8.1413 9.1791 9.1791 9.2689 9.2689 10.8968 10.8968 k = 0.2959 0.1708-0.0000 ( 6546 PWs) bands (ev): -49.5173 -49.5173 -26.1999 -26.1999 -25.5638 -25.5638 -25.5224 -25.5224 -3.5310 -3.5310 -2.5138 -2.5138 3.7868 3.7868 4.4539 4.4539 5.1101 5.1101 6.3336 6.3336 6.8921 6.8921 7.2822 7.2822 8.1299 8.1299 9.1780 9.1780 9.2816 9.2816 10.8956 10.8956 k = 0.3061 0.1767-0.0000 ( 6554 PWs) bands (ev): -49.5172 -49.5172 -26.2003 -26.2003 -25.5647 -25.5647 -25.5223 -25.5223 -3.4772 -3.4772 -2.4963 -2.4963 3.8418 3.8418 4.3556 4.3556 5.0302 5.0302 6.3272 6.3272 6.8221 6.8221 7.2345 7.2345 8.1189 8.1189 9.1745 9.1745 9.2969 9.2969 10.8888 10.8888 k = 0.3163 0.1826-0.0000 ( 6558 PWs) bands (ev): -49.5171 -49.5171 -26.2008 -26.2008 -25.5655 -25.5655 -25.5223 -25.5223 -3.4229 -3.4229 -2.4796 -2.4796 3.8860 3.8860 4.2688 4.2688 4.9565 4.9565 6.3198 6.3198 6.7513 6.7513 7.1912 7.1912 8.1081 8.1081 9.1699 9.1699 9.3137 9.3137 10.8761 10.8761 k = 0.3265 0.1885-0.0000 ( 6558 PWs) bands (ev): -49.5170 -49.5170 -26.2012 -26.2012 -25.5663 -25.5663 -25.5222 -25.5222 -3.3682 -3.3682 -2.4641 -2.4641 3.9042 3.9042 4.2093 4.2093 4.8888 4.8888 6.3111 6.3111 6.6805 6.6805 7.1520 7.1520 8.0978 8.0978 9.1651 9.1651 9.3309 9.3309 10.8573 10.8573 k = 0.3367 0.1944-0.0000 ( 6560 PWs) bands (ev): -49.5169 -49.5169 -26.2016 -26.2016 -25.5671 -25.5671 -25.5222 -25.5222 -3.3133 -3.3133 -2.4497 -2.4497 3.8772 3.8772 4.1963 4.1963 4.8272 4.8272 6.3007 6.3007 6.6106 6.6106 7.1165 7.1165 8.0878 8.0878 9.1603 9.1603 9.3480 9.3480 10.8328 10.8328 k = 0.3469 0.2003-0.0000 ( 6552 PWs) bands (ev): -49.5169 -49.5169 -26.2020 -26.2020 -25.5679 -25.5679 -25.5222 -25.5222 -3.2585 -3.2585 -2.4368 -2.4368 3.8120 3.8120 4.2226 4.2226 4.7726 4.7726 6.2878 6.2878 6.5428 6.5428 7.0845 7.0845 8.0783 8.0783 9.1558 9.1558 9.3646 9.3646 10.8033 10.8033 k = 0.3571 0.2062-0.0000 ( 6548 PWs) bands (ev): -49.5168 -49.5168 -26.2024 -26.2024 -25.5686 -25.5686 -25.5221 -25.5221 -3.2039 -3.2039 -2.4255 -2.4255 3.7303 3.7303 4.2649 4.2649 4.7268 4.7268 6.2708 6.2708 6.4789 6.4789 7.0556 7.0556 8.0693 8.0693 9.1518 9.1518 9.3804 9.3804 10.7694 10.7694 k = 0.3673 0.2121-0.0000 ( 6552 PWs) bands (ev): -49.5167 -49.5167 -26.2028 -26.2028 -25.5693 -25.5693 -25.5221 -25.5221 -3.1498 -3.1498 -2.4159 -2.4159 3.6443 3.6443 4.3082 4.3082 4.6929 4.6929 6.2469 6.2469 6.4223 6.4223 7.0295 7.0295 8.0607 8.0607 9.1483 9.1483 9.3951 9.3951 10.7325 10.7325 k = 0.3776 0.2180-0.0000 ( 6558 PWs) bands (ev): -49.5166 -49.5166 -26.2031 -26.2031 -25.5700 -25.5700 -25.5221 -25.5221 -3.0963 -3.0963 -2.4082 -2.4082 3.5590 3.5590 4.3422 4.3422 4.6766 4.6766 6.2120 6.2120 6.3770 6.3770 7.0062 7.0062 8.0527 8.0527 9.1452 9.1452 9.4086 9.4086 10.6936 10.6936 k = 0.3878 0.2239-0.0000 ( 6562 PWs) bands (ev): -49.5166 -49.5166 -26.2034 -26.2034 -25.5706 -25.5706 -25.5220 -25.5220 -3.0438 -3.0438 -2.4025 -2.4025 3.4770 3.4770 4.3589 4.3589 4.6837 4.6837 6.1648 6.1648 6.3448 6.3448 6.9853 6.9853 8.0452 8.0452 9.1426 9.1426 9.4207 9.4207 10.6539 10.6539 k = 0.3980 0.2298-0.0000 ( 6558 PWs) bands (ev): -49.5165 -49.5165 -26.2037 -26.2037 -25.5711 -25.5711 -25.5220 -25.5220 -2.9924 -2.9924 -2.3991 -2.3991 3.3995 3.3995 4.3572 4.3572 4.7143 4.7143 6.1080 6.1080 6.3229 6.3229 6.9668 6.9668 8.0384 8.0384 9.1405 9.1405 9.4312 9.4312 10.6145 10.6146 k = 0.4082 0.2357-0.0000 ( 6552 PWs) bands (ev): -49.5165 -49.5165 -26.2040 -26.2040 -25.5716 -25.5716 -25.5220 -25.5220 -2.9426 -2.9426 -2.3979 -2.3979 3.3275 3.3275 4.3428 4.3428 4.7622 4.7622 6.0460 6.0460 6.3073 6.3073 6.9504 6.9504 8.0320 8.0320 9.1387 9.1387 9.4401 9.4401 10.5766 10.5766 k = 0.4184 0.2415-0.0000 ( 6554 PWs) bands (ev): -49.5164 -49.5164 -26.2042 -26.2042 -25.5721 -25.5721 -25.5219 -25.5219 -2.8945 -2.8945 -2.3991 -2.3991 3.2615 3.2615 4.3222 4.3222 4.8202 4.8202 5.9812 5.9812 6.2955 6.2955 6.9360 6.9360 8.0264 8.0264 9.1374 9.1374 9.4474 9.4474 10.5409 10.5409 k = 0.4286 0.2474-0.0000 ( 6548 PWs) bands (ev): -49.5164 -49.5164 -26.2045 -26.2045 -25.5725 -25.5725 -25.5219 -25.5219 -2.8486 -2.8486 -2.4027 -2.4027 3.2022 3.2022 4.2999 4.2999 4.8838 4.8838 5.9154 5.9154 6.2860 6.2860 6.9236 6.9236 8.0213 8.0213 9.1363 9.1363 9.4531 9.4531 10.5083 10.5083 k = 0.4388 0.2533-0.0000 ( 6556 PWs) bands (ev): -49.5163 -49.5163 -26.2047 -26.2047 -25.5729 -25.5729 -25.5219 -25.5219 -2.8052 -2.8052 -2.4085 -2.4085 3.1500 3.1500 4.2783 4.2783 4.9499 4.9499 5.8492 5.8492 6.2782 6.2782 6.9131 6.9131 8.0169 8.0169 9.1355 9.1355 9.4573 9.4573 10.4792 10.4792 k = 0.4490 0.2592-0.0000 ( 6558 PWs) bands (ev): -49.5163 -49.5163 -26.2048 -26.2048 -25.5732 -25.5732 -25.5219 -25.5219 -2.7650 -2.7650 -2.4164 -2.4164 3.1052 3.1052 4.2588 4.2588 5.0169 5.0169 5.7835 5.7835 6.2719 6.2719 6.9043 6.9043 8.0131 8.0131 9.1349 9.1349 9.4603 9.4603 10.4542 10.4542 k = 0.4592 0.2651-0.0000 ( 6562 PWs) bands (ev): -49.5163 -49.5163 -26.2050 -26.2050 -25.5735 -25.5735 -25.5219 -25.5219 -2.7286 -2.7286 -2.4260 -2.4260 3.0682 3.0682 4.2421 4.2421 5.0831 5.0831 5.7191 5.7191 6.2668 6.2668 6.8972 6.8972 8.0100 8.0100 9.1345 9.1345 9.4623 9.4623 10.4336 10.4336 k = 0.4694 0.2710-0.0000 ( 6562 PWs) bands (ev): -49.5162 -49.5162 -26.2051 -26.2051 -25.5737 -25.5737 -25.5219 -25.5219 -2.6970 -2.6970 -2.4365 -2.4365 3.0391 3.0391 4.2288 4.2288 5.1468 5.1468 5.6572 5.6572 6.2629 6.2629 6.8917 6.8917 8.0076 8.0076 9.1342 9.1342 9.4635 9.4635 10.4174 10.4174 k = 0.4796 0.2769-0.0000 ( 6562 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5738 -25.5738 -25.5218 -25.5218 -2.6718 -2.6718 -2.4464 -2.4464 3.0182 3.0182 4.2191 4.2191 5.2044 5.2044 5.6011 5.6011 6.2601 6.2601 6.8878 6.8878 8.0058 8.0058 9.1340 9.1340 9.4642 9.4642 10.4058 10.4058 k = 0.4898 0.2828-0.0000 ( 6564 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6550 -2.6550 -2.4540 -2.4540 3.0056 3.0056 4.2132 4.2132 5.2489 5.2489 5.5576 5.5576 6.2584 6.2584 6.8855 6.8855 8.0048 8.0048 9.1339 9.1339 9.4645 9.4645 10.3989 10.3989 k = 0.5000 0.2887-0.0000 ( 6572 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6491 -2.6491 -2.4568 -2.4568 3.0014 3.0014 4.2112 4.2112 5.2669 5.2669 5.5399 5.5399 6.2579 6.2579 6.8848 6.8848 8.0044 8.0044 9.1339 9.1339 9.4646 9.4646 10.3966 10.3966 k = 0.5000 0.2887-0.0000 ( 6572 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6491 -2.6491 -2.4568 -2.4568 3.0014 3.0014 4.2112 4.2112 5.2669 5.2669 5.5399 5.5399 6.2579 6.2579 6.8848 6.8848 8.0044 8.0044 9.1339 9.1339 9.4646 9.4646 10.3966 10.3966 k = 0.4940 0.2990-0.0000 ( 6566 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6486 -2.6486 -2.4564 -2.4564 3.0027 3.0027 4.2116 4.2116 5.2669 5.2669 5.5405 5.5405 6.2566 6.2566 6.8696 6.8696 8.0161 8.0161 9.1341 9.1341 9.4642 9.4642 10.3966 10.3966 k = 0.4881 0.3093-0.0000 ( 6562 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5219 -25.5219 -2.6470 -2.6470 -2.4550 -2.4550 3.0065 3.0065 4.2126 4.2126 5.2667 5.2667 5.5422 5.5422 6.2528 6.2528 6.8261 6.8261 8.0490 8.0490 9.1347 9.1347 9.4632 9.4632 10.3968 10.3968 k = 0.4821 0.3196-0.0000 ( 6564 PWs) bands (ev): -49.5162 -49.5162 -26.2053 -26.2053 -25.5740 -25.5740 -25.5219 -25.5219 -2.6445 -2.6445 -2.4528 -2.4528 3.0128 3.0128 4.2143 4.2143 5.2663 5.2663 5.5451 5.5451 6.2462 6.2462 6.7593 6.7593 8.0985 8.0985 9.1357 9.1357 9.4615 9.4615 10.3969 10.3969 k = 0.4762 0.3299-0.0000 ( 6572 PWs) bands (ev): -49.5162 -49.5162 -26.2053 -26.2053 -25.5740 -25.5740 -25.5219 -25.5219 -2.6409 -2.6409 -2.4496 -2.4496 3.0217 3.0217 4.2167 4.2167 5.2659 5.2659 5.5490 5.5490 6.2367 6.2367 6.6752 6.6752 8.1591 8.1591 9.1373 9.1373 9.4592 9.4592 10.3971 10.3971 k = 0.4702 0.3402-0.0000 ( 6570 PWs) bands (ev): -49.5162 -49.5162 -26.2053 -26.2053 -25.5740 -25.5740 -25.5220 -25.5220 -2.6363 -2.6363 -2.4457 -2.4457 3.0330 3.0330 4.2196 4.2196 5.2653 5.2653 5.5539 5.5539 6.2235 6.2235 6.5794 6.5794 8.2260 8.2260 9.1393 9.1393 9.4563 9.4563 10.3971 10.3971 k = 0.4643 0.3505-0.0000 ( 6576 PWs) bands (ev): -49.5162 -49.5162 -26.2054 -26.2054 -25.5741 -25.5741 -25.5220 -25.5220 -2.6308 -2.6308 -2.4409 -2.4409 3.0469 3.0469 4.2231 4.2231 5.2645 5.2645 5.5597 5.5597 6.2052 6.2052 6.4775 6.4775 8.2957 8.2957 9.1420 9.1420 9.4528 9.4528 10.3969 10.3969 k = 0.4583 0.3608-0.0000 ( 6560 PWs) bands (ev): -49.5162 -49.5162 -26.2054 -26.2054 -25.5741 -25.5741 -25.5221 -25.5221 -2.6243 -2.6243 -2.4355 -2.4355 3.0632 3.0632 4.2270 4.2270 5.2636 5.2636 5.5662 5.5662 6.1778 6.1778 6.3764 6.3764 8.3657 8.3657 9.1455 9.1455 9.4488 9.4488 10.3962 10.3962 k = 0.4524 0.3712-0.0000 ( 6560 PWs) bands (ev): -49.5161 -49.5161 -26.2055 -26.2055 -25.5742 -25.5742 -25.5222 -25.5222 -2.6170 -2.6170 -2.4293 -2.4293 3.0819 3.0819 4.2312 4.2312 5.2623 5.2623 5.5733 5.5733 6.1306 6.1306 6.2895 6.2895 8.4342 8.4342 9.1497 9.1497 9.4445 9.4445 10.3949 10.3949 k = 0.4464 0.3815-0.0000 ( 6556 PWs) bands (ev): -49.5161 -49.5161 -26.2055 -26.2055 -25.5743 -25.5743 -25.5223 -25.5223 -2.6087 -2.6087 -2.4226 -2.4226 3.1030 3.1030 4.2357 4.2357 5.2605 5.2605 5.5808 5.5808 6.0514 6.0514 6.2309 6.2309 8.4999 8.4999 9.1548 9.1548 9.4398 9.4398 10.3926 10.3926 k = 0.4405 0.3918-0.0000 ( 6560 PWs) bands (ev): -49.5161 -49.5161 -26.2056 -26.2056 -25.5744 -25.5744 -25.5224 -25.5224 -2.5996 -2.5996 -2.4154 -2.4154 3.1264 3.1264 4.2402 4.2402 5.2578 5.2578 5.5883 5.5883 5.9495 5.9495 6.1934 6.1934 8.5622 8.5622 9.1610 9.1610 9.4349 9.4349 10.3891 10.3891 k = 0.4345 0.4021-0.0000 ( 6568 PWs) bands (ev): -49.5161 -49.5161 -26.2057 -26.2057 -25.5744 -25.5744 -25.5225 -25.5225 -2.5897 -2.5897 -2.4078 -2.4078 3.1521 3.1521 4.2447 4.2447 5.2533 5.2533 5.5955 5.5955 5.8406 5.8406 6.1639 6.1639 8.6204 8.6204 9.1682 9.1682 9.4300 9.4300 10.3838 10.3838 k = 0.4286 0.4124-0.0000 ( 6572 PWs) bands (ev): -49.5161 -49.5161 -26.2057 -26.2057 -25.5745 -25.5745 -25.5226 -25.5226 -2.5791 -2.5791 -2.4000 -2.4000 3.1800 3.1800 4.2488 4.2488 5.2456 5.2456 5.6008 5.6008 5.7342 5.7342 6.1369 6.1369 8.6741 8.6741 9.1767 9.1767 9.4252 9.4252 10.3755 10.3755 k = 0.4226 0.4227-0.0000 ( 6566 PWs) bands (ev): -49.5161 -49.5161 -26.2058 -26.2058 -25.5746 -25.5746 -25.5227 -25.5227 -2.5677 -2.5677 -2.3919 -2.3919 3.2101 3.2101 4.2525 4.2525 5.2316 5.2316 5.5923 5.5923 5.6481 5.6481 6.1106 6.1106 8.7231 8.7231 9.1864 9.1864 9.4208 9.4208 10.3619 10.3619 k = 0.4167 0.4330-0.0000 ( 6566 PWs) bands (ev): -49.5160 -49.5160 -26.2059 -26.2059 -25.5747 -25.5747 -25.5228 -25.5228 -2.5558 -2.5558 -2.3839 -2.3839 3.2421 3.2421 4.2553 4.2553 5.2060 5.2060 5.5299 5.5299 5.6293 5.6293 6.0843 6.0843 8.7673 8.7673 9.1973 9.1973 9.4170 9.4170 10.3366 10.3366 k = 0.4107 0.4433-0.0000 ( 6570 PWs) bands (ev): -49.5160 -49.5160 -26.2060 -26.2060 -25.5748 -25.5748 -25.5229 -25.5229 -2.5432 -2.5432 -2.3760 -2.3760 3.2760 3.2760 4.2571 4.2571 5.1617 5.1617 5.4676 5.4676 5.6319 5.6319 6.0582 6.0582 8.8065 8.8065 9.2096 9.2096 9.4140 9.4140 10.2951 10.2951 k = 0.4048 0.4536-0.0000 ( 6570 PWs) bands (ev): -49.5160 -49.5160 -26.2061 -26.2061 -25.5750 -25.5750 -25.5230 -25.5230 -2.5302 -2.5302 -2.3684 -2.3684 3.3117 3.3117 4.2575 4.2575 5.0964 5.0964 5.4284 5.4284 5.6358 5.6358 6.0324 6.0324 8.8408 8.8408 9.2230 9.2230 9.4120 9.4120 10.2465 10.2465 k = 0.3988 0.4639-0.0000 ( 6566 PWs) bands (ev): -49.5160 -49.5160 -26.2062 -26.2062 -25.5751 -25.5751 -25.5230 -25.5230 -2.5168 -2.5168 -2.3612 -2.3612 3.3489 3.3489 4.2560 4.2560 5.0167 5.0167 5.4088 5.4088 5.6390 5.6390 6.0073 6.0073 8.8701 8.8701 9.2375 9.2375 9.4113 9.4113 10.1989 10.1989 k = 0.3929 0.4743-0.0000 ( 6568 PWs) bands (ev): -49.5159 -49.5159 -26.2063 -26.2063 -25.5752 -25.5752 -25.5231 -25.5231 -2.5030 -2.5030 -2.3547 -2.3547 3.3874 3.3874 4.2521 4.2521 4.9313 4.9313 5.4014 5.4014 5.6411 5.6411 5.9830 5.9830 8.8945 8.8945 9.2530 9.2530 9.4120 9.4120 10.1553 10.1553 k = 0.3869 0.4846-0.0000 ( 6562 PWs) bands (ev): -49.5159 -49.5159 -26.2063 -26.2063 -25.5753 -25.5753 -25.5232 -25.5232 -2.4889 -2.4889 -2.3490 -2.3490 3.4270 3.4270 4.2451 4.2451 4.8467 4.8467 5.4011 5.4011 5.6420 5.6420 5.9598 5.9598 8.9144 8.9144 9.2691 9.2691 9.4140 9.4140 10.1168 10.1168 k = 0.3810 0.4949-0.0000 ( 6558 PWs) bands (ev): -49.5159 -49.5159 -26.2064 -26.2064 -25.5754 -25.5754 -25.5233 -25.5233 -2.4747 -2.4747 -2.3442 -2.3442 3.4671 3.4671 4.2346 4.2346 4.7668 4.7668 5.4048 5.4048 5.6419 5.6419 5.9380 5.9380 8.9300 8.9300 9.2856 9.2856 9.4174 9.4174 10.0839 10.0839 k = 0.3750 0.5052-0.0000 ( 6550 PWs) bands (ev): -49.5159 -49.5159 -26.2065 -26.2065 -25.5755 -25.5755 -25.5233 -25.5233 -2.4604 -2.4604 -2.3407 -2.3407 3.5072 3.5072 4.2197 4.2197 4.6945 4.6945 5.4109 5.4109 5.6413 5.6413 5.9174 5.9174 8.9417 8.9417 9.3020 9.3020 9.4218 9.4218 10.0569 10.0569 k = 0.3690 0.5155-0.0000 ( 6552 PWs) bands (ev): -49.5159 -49.5159 -26.2066 -26.2066 -25.5756 -25.5756 -25.5234 -25.5234 -2.4462 -2.4462 -2.3386 -2.3386 3.5466 3.5466 4.2004 4.2004 4.6319 4.6319 5.4182 5.4182 5.6408 5.6408 5.8981 5.8981 8.9501 8.9501 9.3179 9.3179 9.4271 9.4271 10.0362 10.0362 k = 0.3631 0.5258-0.0000 ( 6560 PWs) bands (ev): -49.5159 -49.5159 -26.2066 -26.2066 -25.5757 -25.5757 -25.5234 -25.5234 -2.4320 -2.4320 -2.3381 -2.3381 3.5843 3.5843 4.1771 4.1771 4.5802 4.5802 5.4256 5.4256 5.6415 5.6415 5.8797 5.8797 8.9558 8.9558 9.3327 9.3327 9.4326 9.4326 10.0221 10.0221 k = 0.3571 0.5361-0.0000 ( 6572 PWs) bands (ev): -49.5158 -49.5158 -26.2067 -26.2067 -25.5758 -25.5758 -25.5235 -25.5235 -2.4180 -2.4180 -2.3394 -2.3394 3.6188 3.6188 4.1515 4.1515 4.5397 4.5397 5.4323 5.4323 5.6441 5.6441 5.8621 5.8621 8.9593 8.9593 9.3459 9.3459 9.4380 9.4380 10.0148 10.0148 k = 0.3512 0.5464-0.0000 ( 6574 PWs) bands (ev): -49.5158 -49.5158 -26.2067 -26.2067 -25.5758 -25.5758 -25.5235 -25.5235 -2.4044 -2.4044 -2.3427 -2.3427 3.6483 3.6483 4.1268 4.1268 4.5096 4.5096 5.4377 5.4377 5.6491 5.6491 5.8455 5.8455 8.9613 8.9613 9.3569 9.3569 9.4427 9.4427 10.0146 10.0146 k = 0.3452 0.5567-0.0000 ( 6574 PWs) bands (ev): -49.5158 -49.5158 -26.2067 -26.2067 -25.5759 -25.5759 -25.5235 -25.5235 -2.3912 -2.3912 -2.3482 -2.3482 3.6706 3.6706 4.1065 4.1065 4.4889 4.4889 5.4414 5.4414 5.6560 5.6560 5.8305 5.8305 8.9623 8.9623 9.3652 9.3652 9.4463 9.4463 10.0213 10.0213 k = 0.3393 0.5670-0.0000 ( 6568 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3786 -2.3786 -2.3560 -2.3560 3.6841 3.6841 4.0937 4.0937 4.4766 4.4766 5.4434 5.4434 5.6629 5.6629 5.8189 5.8189 8.9627 8.9627 9.3705 9.3705 9.4484 9.4484 10.0345 10.0345 k = 0.3333 0.5774-0.0000 ( 6576 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3680 -2.3680 -2.3650 -2.3650 3.6884 3.6884 4.0896 4.0896 4.4725 4.4725 5.4440 5.4440 5.6662 5.6662 5.8141 5.8141 8.9628 8.9628 9.3723 9.3723 9.4491 9.4491 10.0473 10.0473 k = 0.3333 0.5774-0.0000 ( 6576 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3680 -2.3680 -2.3650 -2.3650 3.6884 3.6884 4.0896 4.0896 4.4725 4.4725 5.4440 5.4440 5.6662 5.6662 5.8141 5.8141 8.9628 8.9628 9.3723 9.3723 9.4491 9.4491 10.0473 10.0473 k = 0.3274 0.5670-0.0000 ( 6572 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3796 -2.3796 -2.3551 -2.3551 3.6850 3.6850 4.0929 4.0929 4.4768 4.4768 5.4434 5.4434 5.6619 5.6619 5.8199 5.8199 8.9627 8.9627 9.3704 9.3704 9.4485 9.4485 10.0328 10.0328 k = 0.3214 0.5567-0.0000 ( 6564 PWs) bands (ev): -49.5158 -49.5158 -26.2067 -26.2067 -25.5759 -25.5759 -25.5235 -25.5235 -2.3954 -2.3954 -2.3447 -2.3447 3.6768 3.6768 4.1006 4.1006 4.4897 4.4897 5.4415 5.4415 5.6493 5.6493 5.8370 5.8370 8.9626 8.9626 9.3645 9.3645 9.4473 9.4473 10.0139 10.0139 k = 0.3155 0.5464-0.0000 ( 6576 PWs) bands (ev): -49.5158 -49.5158 -26.2067 -26.2067 -25.5758 -25.5758 -25.5235 -25.5235 -2.4140 -2.4140 -2.3352 -2.3352 3.6670 3.6670 4.1096 4.1096 4.5116 4.5116 5.4374 5.4374 5.6312 5.6312 5.8635 5.8635 8.9621 8.9621 9.3550 9.3550 9.4459 9.4459 9.9975 9.9975 k = 0.3095 0.5361-0.0000 ( 6576 PWs) bands (ev): -49.5159 -49.5159 -26.2066 -26.2066 -25.5757 -25.5757 -25.5235 -25.5235 -2.4356 -2.4356 -2.3268 -2.3268 3.6584 3.6584 4.1178 4.1178 4.5421 4.5421 5.4294 5.4294 5.6122 5.6122 5.8967 5.8967 8.9610 8.9610 9.3425 9.3425 9.4447 9.4447 9.9842 9.9842 k = 0.3036 0.5258-0.0000 ( 6566 PWs) bands (ev): -49.5159 -49.5159 -26.2066 -26.2066 -25.5756 -25.5756 -25.5235 -25.5235 -2.4602 -2.4602 -2.3194 -2.3194 3.6529 3.6529 4.1243 4.1243 4.5804 4.5804 5.4152 5.4152 5.5966 5.5966 5.9349 5.9349 8.9586 8.9586 9.3281 9.3281 9.4439 9.4439 9.9738 9.9738 k = 0.2976 0.5155-0.0000 ( 6566 PWs) bands (ev): -49.5159 -49.5159 -26.2065 -26.2065 -25.5754 -25.5754 -25.5234 -25.5234 -2.4877 -2.4877 -2.3133 -2.3133 3.6517 3.6517 4.1292 4.1292 4.6248 4.6248 5.3927 5.3927 5.5879 5.5879 5.9770 5.9770 8.9543 8.9543 9.3133 9.3133 9.4434 9.4434 9.9659 9.9659 k = 0.2917 0.5052-0.0000 ( 6558 PWs) bands (ev): -49.5159 -49.5159 -26.2064 -26.2064 -25.5753 -25.5753 -25.5234 -25.5234 -2.5181 -2.5181 -2.3085 -2.3085 3.6559 3.6559 4.1332 4.1332 4.6736 4.6736 5.3619 5.3619 5.5873 5.5873 6.0223 6.0223 8.9471 8.9471 9.2997 9.2997 9.4434 9.4434 9.9604 9.9604 k = 0.2857 0.4949-0.0000 ( 6554 PWs) bands (ev): -49.5159 -49.5159 -26.2062 -26.2062 -25.5750 -25.5750 -25.5233 -25.5233 -2.5514 -2.5514 -2.3050 -2.3050 3.6661 3.6661 4.1369 4.1369 4.7246 4.7246 5.3253 5.3253 5.5940 5.5940 6.0703 6.0703 8.9362 8.9362 9.2885 9.2885 9.4437 9.4437 9.9566 9.9566 k = 0.2798 0.4846-0.0000 ( 6564 PWs) bands (ev): -49.5160 -49.5160 -26.2061 -26.2061 -25.5748 -25.5748 -25.5233 -25.5233 -2.5876 -2.5876 -2.3030 -2.3030 3.6825 3.6825 4.1410 4.1410 4.7753 4.7753 5.2862 5.2862 5.6066 5.6066 6.1208 6.1208 8.9211 8.9211 9.2808 9.2808 9.4444 9.4444 9.9544 9.9544 k = 0.2738 0.4743-0.0000 ( 6556 PWs) bands (ev): -49.5160 -49.5160 -26.2059 -26.2059 -25.5745 -25.5745 -25.5233 -25.5233 -2.6263 -2.6263 -2.3024 -2.3024 3.7055 3.7055 4.1461 4.1461 4.8216 4.8216 5.2495 5.2495 5.6241 5.6241 6.1735 6.1735 8.9017 8.9017 9.2770 9.2770 9.4454 9.4454 9.9535 9.9535 k = 0.2679 0.4639-0.0000 ( 6548 PWs) bands (ev): -49.5161 -49.5161 -26.2057 -26.2057 -25.5742 -25.5742 -25.5232 -25.5232 -2.6676 -2.6676 -2.3032 -2.3032 3.7351 3.7351 4.1526 4.1526 4.8573 4.8573 5.2220 5.2220 5.6456 5.6456 6.2282 6.2282 8.8783 8.8783 9.2770 9.2770 9.4467 9.4467 9.9535 9.9535 k = 0.2619 0.4536-0.0000 ( 6548 PWs) bands (ev): -49.5161 -49.5161 -26.2055 -26.2055 -25.5738 -25.5738 -25.5232 -25.5232 -2.7113 -2.7113 -2.3056 -2.3056 3.7713 3.7713 4.1606 4.1606 4.8734 4.8734 5.2132 5.2132 5.6707 5.6707 6.2847 6.2847 8.8514 8.8514 9.2802 9.2802 9.4483 9.4483 9.9546 9.9546 k = 0.2560 0.4433-0.0000 ( 6548 PWs) bands (ev): -49.5162 -49.5162 -26.2053 -26.2053 -25.5734 -25.5734 -25.5231 -25.5231 -2.7571 -2.7571 -2.3095 -2.3095 3.8140 3.8140 4.1703 4.1703 4.8642 4.8642 5.2291 5.2291 5.6992 5.6992 6.3430 6.3430 8.8219 8.8219 9.2858 9.2858 9.4501 9.4501 9.9565 9.9565 k = 0.2500 0.4330-0.0000 ( 6556 PWs) bands (ev): -49.5162 -49.5162 -26.2050 -26.2050 -25.5729 -25.5729 -25.5231 -25.5231 -2.8050 -2.8050 -2.3149 -2.3149 3.8632 3.8632 4.1815 4.1815 4.8335 4.8335 5.2664 5.2664 5.7307 5.7307 6.4028 6.4028 8.7906 8.7906 9.2930 9.2930 9.4521 9.4521 9.9594 9.9594 k = 0.2440 0.4227-0.0000 ( 6556 PWs) bands (ev): -49.5163 -49.5163 -26.2047 -26.2047 -25.5725 -25.5725 -25.5230 -25.5230 -2.8546 -2.8546 -2.3218 -2.3218 3.9185 3.9185 4.1937 4.1937 4.7900 4.7900 5.3174 5.3174 5.7653 5.7653 6.4641 6.4641 8.7581 8.7581 9.3010 9.3010 9.4542 9.4543 9.9633 9.9633 k = 0.2381 0.4124-0.0000 ( 6552 PWs) bands (ev): -49.5163 -49.5163 -26.2044 -26.2044 -25.5719 -25.5719 -25.5230 -25.5230 -2.9058 -2.9058 -2.3302 -2.3302 3.9797 3.9797 4.2062 4.2062 4.7411 4.7411 5.3756 5.3756 5.8028 5.8028 6.5268 6.5268 8.7251 8.7251 9.3089 9.3089 9.4564 9.4564 9.9685 9.9685 k = 0.2321 0.4021-0.0000 ( 6544 PWs) bands (ev): -49.5164 -49.5164 -26.2041 -26.2041 -25.5714 -25.5714 -25.5229 -25.5229 -2.9584 -2.9584 -2.3399 -2.3399 4.0460 4.0460 4.2177 4.2177 4.6922 4.6922 5.4377 5.4377 5.8431 5.8431 6.5907 6.5907 8.6919 8.6919 9.3163 9.3163 9.4586 9.4586 9.9752 9.9752 k = 0.2262 0.3918-0.0000 ( 6542 PWs) bands (ev): -49.5165 -49.5165 -26.2038 -26.2038 -25.5708 -25.5708 -25.5229 -25.5229 -3.0121 -3.0121 -2.3511 -2.3511 4.1153 4.1153 4.2273 4.2273 4.6481 4.6481 5.5014 5.5014 5.8864 5.8864 6.6559 6.6559 8.6592 8.6592 9.3224 9.3224 9.4607 9.4607 9.9835 9.9835 k = 0.2202 0.3815-0.0000 ( 6532 PWs) bands (ev): -49.5165 -49.5165 -26.2034 -26.2034 -25.5701 -25.5701 -25.5229 -25.5229 -3.0667 -3.0667 -2.3635 -2.3635 4.1747 4.1747 4.2436 4.2436 4.6142 4.6142 5.5655 5.5655 5.9324 5.9324 6.7221 6.7221 8.6271 8.6271 9.3270 9.3270 9.4626 9.4626 9.9938 9.9938 k = 0.2143 0.3712-0.0000 ( 6516 PWs) bands (ev): -49.5166 -49.5166 -26.2031 -26.2031 -25.5695 -25.5695 -25.5228 -25.5228 -3.1221 -3.1221 -2.3772 -2.3772 4.1846 4.1846 4.3018 4.3018 4.5954 4.5954 5.6291 5.6291 5.9813 5.9813 6.7894 6.7894 8.5961 8.5961 9.3296 9.3296 9.4642 9.4642 10.0062 10.0062 k = 0.2083 0.3608-0.0000 ( 6516 PWs) bands (ev): -49.5167 -49.5167 -26.2027 -26.2027 -25.5688 -25.5688 -25.5228 -25.5228 -3.1779 -3.1779 -2.3920 -2.3920 4.1597 4.1597 4.3849 4.3849 4.5943 4.5943 5.6916 5.6916 6.0329 6.0329 6.8576 6.8576 8.5663 8.5663 9.3300 9.3300 9.4654 9.4654 10.0211 10.0211 k = 0.2024 0.3505-0.0000 ( 6516 PWs) bands (ev): -49.5168 -49.5168 -26.2023 -26.2023 -25.5680 -25.5680 -25.5228 -25.5228 -3.2341 -3.2341 -2.4078 -2.4078 4.1184 4.1184 4.4750 4.4750 4.6107 4.6107 5.7525 5.7525 6.0874 6.0874 6.9266 6.9266 8.5380 8.5380 9.3281 9.3281 9.4661 9.4661 10.0387 10.0387 k = 0.1964 0.3402-0.0000 ( 6528 PWs) bands (ev): -49.5169 -49.5169 -26.2019 -26.2019 -25.5673 -25.5673 -25.5227 -25.5227 -3.2904 -3.2904 -2.4247 -2.4247 4.0667 4.0667 4.5646 4.5646 4.6456 4.6456 5.8113 5.8113 6.1446 6.1446 6.9964 6.9964 8.5114 8.5114 9.3238 9.3238 9.4663 9.4663 10.0589 10.0589 k = 0.1905 0.3299-0.0000 ( 6536 PWs) bands (ev): -49.5170 -49.5170 -26.2014 -26.2014 -25.5665 -25.5665 -25.5227 -25.5227 -3.3466 -3.3466 -2.4423 -2.4423 4.0086 4.0086 4.6377 4.6377 4.7113 4.7113 5.8677 5.8677 6.2047 6.2047 7.0670 7.0670 8.4866 8.4866 9.3172 9.3172 9.4657 9.4657 10.0819 10.0819 k = 0.1845 0.3196-0.0000 ( 6530 PWs) bands (ev): -49.5171 -49.5171 -26.2010 -26.2010 -25.5657 -25.5657 -25.5227 -25.5227 -3.4026 -3.4026 -2.4608 -2.4608 3.9469 3.9469 4.6914 4.6914 4.8077 4.8077 5.9214 5.9214 6.2674 6.2674 7.1381 7.1381 8.4637 8.4637 9.3085 9.3085 9.4644 9.4644 10.1077 10.1077 k = 0.1786 0.3093-0.0000 ( 6534 PWs) bands (ev): -49.5172 -49.5172 -26.2005 -26.2005 -25.5648 -25.5648 -25.5227 -25.5227 -3.4581 -3.4581 -2.4799 -2.4799 3.8831 3.8831 4.7422 4.7422 4.9163 4.9163 5.9721 5.9721 6.3328 6.3328 7.2097 7.2097 8.4428 8.4428 9.2977 9.2977 9.4623 9.4623 10.1363 10.1363 k = 0.1726 0.2990-0.0000 ( 6538 PWs) bands (ev): -49.5173 -49.5173 -26.2001 -26.2001 -25.5640 -25.5640 -25.5227 -25.5227 -3.5131 -3.5131 -2.4995 -2.4995 3.8184 3.8184 4.7950 4.7950 5.0309 5.0309 6.0196 6.0196 6.4009 6.4009 7.2818 7.2818 8.4240 8.4240 9.2850 9.2850 9.4595 9.4595 10.1676 10.1676 k = 0.1667 0.2887-0.0000 ( 6548 PWs) bands (ev): -49.5173 -49.5173 -26.1996 -26.1996 -25.5631 -25.5631 -25.5227 -25.5227 -3.5674 -3.5674 -2.5196 -2.5196 3.7536 3.7536 4.8504 4.8504 5.1498 5.1498 6.0638 6.0638 6.4715 6.4715 7.3542 7.3542 8.4073 8.4073 9.2707 9.2707 9.4558 9.4558 10.2015 10.2015 k = 0.1607 0.2784-0.0000 ( 6546 PWs) bands (ev): -49.5174 -49.5174 -26.1991 -26.1991 -25.5622 -25.5622 -25.5227 -25.5227 -3.6208 -3.6208 -2.5400 -2.5400 3.6893 3.6893 4.9082 4.9082 5.2721 5.2721 6.1046 6.1046 6.5446 6.5446 7.4269 7.4269 8.3927 8.3927 9.2551 9.2551 9.4513 9.4513 10.2377 10.2377 k = 0.1548 0.2681-0.0000 ( 6548 PWs) bands (ev): -49.5175 -49.5175 -26.1987 -26.1987 -25.5613 -25.5613 -25.5227 -25.5227 -3.6733 -3.6733 -2.5606 -2.5606 3.6257 3.6257 4.9680 4.9680 5.3975 5.3975 6.1420 6.1420 6.6201 6.6201 7.4996 7.4996 8.3802 8.3802 9.2382 9.2382 9.4461 9.4461 10.2762 10.2762 k = 0.1488 0.2577-0.0000 ( 6548 PWs) bands (ev): -49.5176 -49.5176 -26.1982 -26.1982 -25.5604 -25.5604 -25.5227 -25.5227 -3.7246 -3.7246 -2.5813 -2.5813 3.5633 3.5633 5.0297 5.0297 5.5255 5.5255 6.1760 6.1760 6.6979 6.6979 7.5723 7.5723 8.3696 8.3696 9.2204 9.2204 9.4402 9.4402 10.3167 10.3167 k = 0.1429 0.2474-0.0000 ( 6552 PWs) bands (ev): -49.5177 -49.5177 -26.1977 -26.1977 -25.5595 -25.5595 -25.5227 -25.5227 -3.7746 -3.7746 -2.6020 -2.6020 3.5023 3.5023 5.0928 5.0928 5.6555 5.6555 6.2068 6.2068 6.7777 6.7777 7.6449 7.6449 8.3609 8.3609 9.2019 9.2019 9.4337 9.4337 10.3590 10.3590 k = 0.1369 0.2371-0.0000 ( 6560 PWs) bands (ev): -49.5178 -49.5178 -26.1973 -26.1973 -25.5586 -25.5586 -25.5227 -25.5227 -3.8234 -3.8234 -2.6227 -2.6227 3.4428 3.4428 5.1570 5.1570 5.7869 5.7869 6.2348 6.2348 6.8596 6.8596 7.7170 7.7170 8.3540 8.3540 9.1829 9.1829 9.4266 9.4266 10.4027 10.4027 k = 0.1310 0.2268-0.0000 ( 6556 PWs) bands (ev): -49.5179 -49.5179 -26.1968 -26.1968 -25.5577 -25.5577 -25.5227 -25.5227 -3.8707 -3.8707 -2.6432 -2.6432 3.3851 3.3851 5.2220 5.2220 5.9187 5.9187 6.2606 6.2606 6.9432 6.9432 7.7886 7.7886 8.3486 8.3486 9.1637 9.1637 9.4191 9.4191 10.4476 10.4476 k = 0.1250 0.2165-0.0000 ( 6556 PWs) bands (ev): -49.5180 -49.5180 -26.1963 -26.1963 -25.5568 -25.5568 -25.5227 -25.5227 -3.9164 -3.9164 -2.6634 -2.6634 3.3293 3.3293 5.2875 5.2875 6.0488 6.0488 6.2862 6.2862 7.0284 7.0284 7.8592 7.8592 8.3447 8.3447 9.1445 9.1445 9.4113 9.4113 10.4932 10.4932 k = 0.1190 0.2062-0.0000 ( 6560 PWs) bands (ev): -49.5181 -49.5181 -26.1959 -26.1959 -25.5559 -25.5559 -25.5227 -25.5227 -3.9606 -3.9606 -2.6832 -2.6832 3.2754 3.2754 5.3533 5.3533 6.1701 6.1701 6.3185 6.3185 7.1149 7.1149 7.9287 7.9287 8.3420 8.3420 9.1255 9.1255 9.4033 9.4033 10.5391 10.5391 k = 0.1131 0.1959-0.0000 ( 6550 PWs) bands (ev): -49.5182 -49.5182 -26.1954 -26.1954 -25.5551 -25.5551 -25.5227 -25.5227 -4.0030 -4.0030 -2.7026 -2.7026 3.2237 3.2237 5.4189 5.4189 6.2557 6.2557 6.3840 6.3840 7.2024 7.2024 7.9965 7.9965 8.3403 8.3403 9.1071 9.1071 9.3953 9.3953 10.5847 10.5847 k = 0.1071 0.1856-0.0000 ( 6550 PWs) bands (ev): -49.5183 -49.5183 -26.1950 -26.1950 -25.5542 -25.5542 -25.5227 -25.5227 -4.0437 -4.0437 -2.7214 -2.7214 3.1742 3.1742 5.4841 5.4841 6.2923 6.2923 6.4959 6.4959 7.2906 7.2906 8.0622 8.0622 8.3397 8.3397 9.0895 9.0895 9.3874 9.3874 10.6294 10.6294 k = 0.1012 0.1753-0.0000 ( 6542 PWs) bands (ev): -49.5184 -49.5184 -26.1946 -26.1946 -25.5534 -25.5534 -25.5227 -25.5227 -4.0825 -4.0825 -2.7397 -2.7397 3.1269 3.1269 5.5485 5.5485 6.3105 6.3105 6.6232 6.6232 7.3793 7.3793 8.1251 8.1251 8.3398 8.3398 9.0730 9.0730 9.3799 9.3799 10.6721 10.6721 k = 0.0952 0.1650-0.0000 ( 6538 PWs) bands (ev): -49.5185 -49.5185 -26.1942 -26.1942 -25.5526 -25.5526 -25.5226 -25.5226 -4.1194 -4.1194 -2.7573 -2.7573 3.0821 3.0821 5.6118 5.6118 6.3226 6.3226 6.7534 6.7534 7.4680 7.4680 8.1845 8.1845 8.3408 8.3408 9.0582 9.0582 9.3729 9.3729 10.7112 10.7112 k = 0.0893 0.1546-0.0000 ( 6546 PWs) bands (ev): -49.5186 -49.5186 -26.1938 -26.1938 -25.5519 -25.5519 -25.5226 -25.5226 -4.1544 -4.1544 -2.7741 -2.7741 3.0396 3.0396 5.6736 5.6736 6.3317 6.3317 6.8827 6.8827 7.5563 7.5563 8.2391 8.2391 8.3428 8.3428 9.0454 9.0454 9.3665 9.3665 10.7437 10.7438 k = 0.0833 0.1443-0.0000 ( 6542 PWs) bands (ev): -49.5187 -49.5187 -26.1934 -26.1934 -25.5512 -25.5512 -25.5226 -25.5226 -4.1873 -4.1873 -2.7901 -2.7901 2.9996 2.9996 5.7335 5.7335 6.3391 6.3391 7.0097 7.0097 7.6437 7.6437 8.2867 8.2867 8.3468 8.3468 9.0353 9.0353 9.3609 9.3609 10.7650 10.7650 k = 0.0774 0.1340-0.0000 ( 6545 PWs) bands (ev): -49.5187 -49.5187 -26.1931 -26.1931 -25.5505 -25.5505 -25.5226 -25.5226 -4.2182 -4.2182 -2.8053 -2.8053 2.9622 2.9622 5.7910 5.7910 6.3454 6.3454 7.1331 7.1331 7.7297 7.7297 8.3210 8.3210 8.3584 8.3584 9.0285 9.0285 9.3563 9.3563 10.7722 10.7722 k = 0.0714 0.1237-0.0000 ( 6541 PWs) bands (ev): -49.5188 -49.5188 -26.1927 -26.1927 -25.5498 -25.5498 -25.5226 -25.5226 -4.2469 -4.2469 -2.8196 -2.8196 2.9274 2.9274 5.8457 5.8457 6.3513 6.3513 7.2521 7.2521 7.8136 7.8136 8.3346 8.3346 8.3839 8.3839 9.0257 9.0257 9.3526 9.3526 10.7699 10.7699 k = 0.0655 0.1134-0.0000 ( 6533 PWs) bands (ev): -49.5189 -49.5189 -26.1924 -26.1924 -25.5492 -25.5492 -25.5226 -25.5226 -4.2735 -4.2735 -2.8329 -2.8329 2.8952 2.8952 5.8970 5.8970 6.3571 6.3571 7.3656 7.3656 7.8946 7.8946 8.3393 8.3393 8.4105 8.4105 9.0272 9.0272 9.3500 9.3500 10.7653 10.7653 k = 0.0595 0.1031-0.0000 ( 6537 PWs) bands (ev): -49.5189 -49.5189 -26.1921 -26.1921 -25.5487 -25.5487 -25.5226 -25.5226 -4.2979 -4.2979 -2.8451 -2.8451 2.8657 2.8657 5.9444 5.9444 6.3633 6.3633 7.4729 7.4729 7.9720 7.9720 8.3421 8.3421 8.4309 8.4309 9.0333 9.0333 9.3486 9.3486 10.7629 10.7629 k = 0.0536 0.0928-0.0000 ( 6535 PWs) bands (ev): -49.5190 -49.5190 -26.1919 -26.1919 -25.5482 -25.5482 -25.5226 -25.5226 -4.3201 -4.3201 -2.8564 -2.8564 2.8389 2.8389 5.9873 5.9873 6.3702 6.3702 7.5735 7.5735 8.0446 8.0446 8.3443 8.3443 8.4438 8.4438 9.0435 9.0435 9.3485 9.3485 10.7642 10.7642 k = 0.0476 0.0825-0.0000 ( 6523 PWs) bands (ev): -49.5191 -49.5191 -26.1916 -26.1916 -25.5477 -25.5477 -25.5226 -25.5226 -4.3400 -4.3400 -2.8665 -2.8665 2.8148 2.8148 6.0252 6.0252 6.3781 6.3781 7.6666 7.6666 8.1114 8.1114 8.3463 8.3463 8.4494 8.4494 9.0570 9.0570 9.3502 9.3502 10.7697 10.7697 k = 0.0417 0.0722-0.0000 ( 6535 PWs) bands (ev): -49.5191 -49.5191 -26.1914 -26.1914 -25.5473 -25.5473 -25.5225 -25.5225 -4.3576 -4.3576 -2.8755 -2.8755 2.7935 2.7935 6.0578 6.0578 6.3870 6.3870 7.7520 7.7520 8.1712 8.1712 8.3483 8.3483 8.4484 8.4484 9.0721 9.0721 9.3541 9.3541 10.7785 10.7785 k = 0.0357 0.0619-0.0000 ( 6527 PWs) bands (ev): -49.5191 -49.5191 -26.1913 -26.1913 -25.5469 -25.5469 -25.5225 -25.5225 -4.3729 -4.3729 -2.8834 -2.8834 2.7750 2.7750 6.0849 6.0849 6.3969 6.3969 7.8293 7.8293 8.2229 8.2229 8.3507 8.3507 8.4422 8.4422 9.0871 9.0871 9.3607 9.3607 10.7893 10.7893 k = 0.0298 0.0515-0.0000 ( 6531 PWs) bands (ev): -49.5192 -49.5192 -26.1911 -26.1911 -25.5466 -25.5466 -25.5225 -25.5225 -4.3859 -4.3859 -2.8901 -2.8901 2.7593 2.7593 6.1066 6.1066 6.4071 6.4071 7.8981 7.8981 8.2652 8.2652 8.3542 8.3542 8.4320 8.4320 9.1003 9.1003 9.3700 9.3700 10.8007 10.8007 k = 0.0238 0.0412-0.0000 ( 6527 PWs) bands (ev): -49.5192 -49.5192 -26.1910 -26.1910 -25.5464 -25.5464 -25.5225 -25.5225 -4.3966 -4.3966 -2.8956 -2.8956 2.7464 2.7464 6.1234 6.1234 6.4171 6.4171 7.9579 7.9579 8.2963 8.2963 8.3602 8.3602 8.4194 8.4194 9.1105 9.1105 9.3815 9.3815 10.8114 10.8114 k = 0.0179 0.0309-0.0000 ( 6527 PWs) bands (ev): -49.5192 -49.5192 -26.1909 -26.1909 -25.5462 -25.5462 -25.5225 -25.5225 -4.4049 -4.4049 -2.8999 -2.8999 2.7364 2.7364 6.1356 6.1356 6.4260 6.4260 8.0078 8.0078 8.3145 8.3145 8.3699 8.3699 8.4061 8.4061 9.1175 9.1175 9.3936 9.3936 10.8202 10.8202 k = 0.0119 0.0206-0.0000 ( 6547 PWs) bands (ev): -49.5192 -49.5192 -26.1908 -26.1908 -25.5460 -25.5460 -25.5225 -25.5225 -4.4108 -4.4108 -2.9030 -2.9030 2.7292 2.7292 6.1438 6.1438 6.4330 6.4330 8.0463 8.0463 8.3221 8.3221 8.3810 8.3810 8.3945 8.3945 9.1218 9.1218 9.4044 9.4044 10.8266 10.8266 k = 0.0060 0.0103-0.0000 ( 6555 PWs) bands (ev): -49.5192 -49.5192 -26.1908 -26.1908 -25.5460 -25.5460 -25.5225 -25.5225 -4.4144 -4.4144 -2.9049 -2.9049 2.7249 2.7249 6.1486 6.1486 6.4376 6.4376 8.0712 8.0712 8.3240 8.3240 8.3850 8.3850 8.3909 8.3909 9.1239 9.1239 9.4118 9.4118 10.8305 10.8305 k = 0.0000 0.0000 0.0000 ( 6557 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.4156 -4.4156 -2.9055 -2.9055 2.7235 2.7235 6.1501 6.1501 6.4391 6.4391 8.0799 8.0799 8.3242 8.3242 8.3827 8.3827 8.3933 8.3933 9.1245 9.1245 9.4144 9.4144 10.8318 10.8318 k = 0.0000 0.0000 0.0000 ( 6557 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.4156 -4.4156 -2.9055 -2.9055 2.7235 2.7235 6.1501 6.1501 6.4391 6.4391 8.0799 8.0799 8.3242 8.3242 8.3827 8.3827 8.3933 8.3933 9.1245 9.1245 9.4144 9.4144 10.8318 10.8318 k = 0.0000 0.0000 0.0116 ( 6545 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.4145 -4.4145 -2.9077 -2.9077 2.7279 2.7279 6.1504 6.1504 6.4393 6.4393 8.0611 8.0611 8.3336 8.3336 8.3826 8.3826 8.3952 8.3952 9.1227 9.1227 9.4130 9.4130 10.8336 10.8336 k = 0.0000 0.0000 0.0233 ( 6563 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.4114 -4.4114 -2.9142 -2.9142 2.7410 2.7410 6.1513 6.1513 6.4400 6.4400 8.0121 8.0121 8.3526 8.3526 8.3825 8.3825 8.4030 8.4030 9.1175 9.1175 9.4085 9.4085 10.8389 10.8389 k = 0.0000 0.0000 0.0349 ( 6563 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.4061 -4.4061 -2.9249 -2.9249 2.7628 2.7628 6.1527 6.1527 6.4412 6.4412 7.9438 7.9438 8.3660 8.3660 8.3822 8.3822 8.4209 8.4209 9.1091 9.1091 9.4013 9.4013 10.8476 10.8476 k = 0.0000 0.0000 0.0465 ( 6569 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.3987 -4.3987 -2.9398 -2.9398 2.7932 2.7932 6.1546 6.1546 6.4428 6.4428 7.8623 7.8623 8.3716 8.3716 8.3819 8.3819 8.4455 8.4455 9.0983 9.0983 9.3914 9.3914 10.8596 10.8596 k = 0.0000 0.0000 0.0581 ( 6563 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.3893 -4.3893 -2.9586 -2.9586 2.8319 2.8319 6.1570 6.1570 6.4448 6.4448 7.7704 7.7704 8.3737 8.3737 8.3814 8.3814 8.4700 8.4700 9.0858 9.0858 9.3792 9.3792 10.8744 10.8744 k = 0.0000 0.0000 0.0698 ( 6557 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.3778 -4.3778 -2.9812 -2.9812 2.8787 2.8787 6.1599 6.1599 6.4472 6.4472 7.6698 7.6698 8.3744 8.3744 8.3809 8.3809 8.4910 8.4910 9.0725 9.0725 9.3647 9.3647 10.8918 10.8918 k = 0.0000 0.0000 0.0814 ( 6551 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.3642 -4.3642 -3.0073 -3.0073 2.9333 2.9333 6.1633 6.1633 6.4499 6.4499 7.5613 7.5613 8.3745 8.3745 8.3803 8.3803 8.5076 8.5076 9.0592 9.0592 9.3485 9.3485 10.9115 10.9115 k = 0.0000 0.0000 0.0930 ( 6551 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.3486 -4.3486 -3.0366 -3.0366 2.9956 2.9956 6.1669 6.1669 6.4530 6.4530 7.4459 7.4459 8.3743 8.3743 8.3797 8.3797 8.5192 8.5192 9.0466 9.0466 9.3308 9.3308 10.9330 10.9330 k = 0.0000 0.0000 0.1046 ( 6539 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.3311 -4.3311 -3.0689 -3.0689 3.0650 3.0650 6.1709 6.1709 6.4563 6.4563 7.3243 7.3243 8.3738 8.3738 8.3790 8.3790 8.5260 8.5260 9.0354 9.0354 9.3120 9.3120 10.9560 10.9560 k = 0.0000 0.0000 0.1163 ( 6527 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.3116 -4.3116 -3.1038 -3.1038 3.1414 3.1414 6.1750 6.1750 6.4598 6.4598 7.1973 7.1973 8.3732 8.3732 8.3782 8.3782 8.5281 8.5281 9.0259 9.0259 9.2923 9.2923 10.9801 10.9801 k = 0.0000 0.0000 0.1279 ( 6533 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.2901 -4.2901 -3.1411 -3.1411 3.2243 3.2243 6.1792 6.1792 6.4636 6.4636 7.0657 7.0657 8.3726 8.3726 8.3775 8.3775 8.5261 8.5261 9.0183 9.0183 9.2723 9.2723 11.0050 11.0050 k = 0.0000 0.0000 0.1395 ( 6539 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.2669 -4.2669 -3.1804 -3.1804 3.3133 3.3133 6.1834 6.1834 6.4674 6.4674 6.9302 6.9302 8.3719 8.3719 8.3767 8.3767 8.5205 8.5205 9.0126 9.0126 9.2520 9.2520 11.0302 11.0302 k = 0.0000 0.0000 0.1511 ( 6539 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.2418 -4.2418 -3.2214 -3.2214 3.4081 3.4081 6.1872 6.1872 6.4713 6.4713 6.7918 6.7918 8.3712 8.3712 8.3759 8.3759 8.5121 8.5121 9.0087 9.0087 9.2320 9.2320 11.0554 11.0554 k = 0.0000 0.0000 0.1628 ( 6533 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.2150 -4.2150 -3.2639 -3.2639 3.5082 3.5082 6.1901 6.1901 6.4752 6.4752 6.6516 6.6516 8.3705 8.3705 8.3752 8.3752 8.5015 8.5015 9.0062 9.0062 9.2124 9.2124 11.0802 11.0802 k = 0.0000 0.0000 0.1744 ( 6533 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.1866 -4.1866 -3.3073 -3.3073 3.6132 3.6132 6.1910 6.1910 6.4790 6.4790 6.5114 6.5114 8.3699 8.3699 8.3745 8.3745 8.4896 8.4896 9.0048 9.0048 9.1936 9.1936 11.1042 11.1042 k = 0.0000 0.0000 0.1860 ( 6521 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.1567 -4.1567 -3.3516 -3.3516 3.7225 3.7225 6.1852 6.1852 6.3765 6.3765 6.4827 6.4827 8.3693 8.3693 8.3738 8.3738 8.4769 8.4769 9.0044 9.0044 9.1758 9.1758 11.1272 11.1272 k = 0.0000 0.0000 0.1976 ( 6533 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.1254 -4.1254 -3.3962 -3.3962 3.8358 3.8358 6.1471 6.1471 6.2731 6.2731 6.4862 6.4862 8.3688 8.3688 8.3731 8.3731 8.4640 8.4640 9.0046 9.0046 9.1592 9.1592 11.1488 11.1488 k = 0.0000 0.0000 0.2093 ( 6545 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.0930 -4.0930 -3.4408 -3.4408 3.9522 3.9522 6.0389 6.0389 6.2398 6.2398 6.4894 6.4894 8.3685 8.3685 8.3726 8.3726 8.4514 8.4514 9.0051 9.0051 9.1441 9.1441 11.1686 11.1686 k = 0.0000 0.0000 0.2209 ( 6539 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.0597 -4.0597 -3.4850 -3.4850 4.0708 4.0708 5.9042 5.9042 6.2341 6.2341 6.4924 6.4924 8.3683 8.3683 8.3720 8.3720 8.4395 8.4395 9.0059 9.0059 9.1306 9.1306 11.1864 11.1864 k = 0.0000 0.0000 0.2325 ( 6533 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -4.0260 -4.0260 -3.5281 -3.5281 4.1906 4.1906 5.7663 5.7663 6.2338 6.2338 6.4949 6.4949 8.3683 8.3683 8.3716 8.3716 8.4288 8.4288 9.0068 9.0068 9.1189 9.1189 11.2020 11.2020 k = 0.0000 0.0000 0.2441 ( 6539 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -3.9925 -3.9925 -3.5695 -3.5695 4.3094 4.3094 5.6313 5.6313 6.2348 6.2348 6.4971 6.4971 8.3685 8.3685 8.3712 8.3712 8.4194 8.4194 9.0076 9.0076 9.1091 9.1091 11.2150 11.2150 k = 0.0000 0.0000 0.2558 ( 6539 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -3.9606 -3.9606 -3.6077 -3.6077 4.4237 4.4237 5.5039 5.5039 6.2360 6.2360 6.4989 6.4989 8.3689 8.3689 8.3709 8.3709 8.4117 8.4117 9.0084 9.0084 9.1014 9.1014 11.2254 11.2254 k = 0.0000 0.0000 0.2674 ( 6551 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -3.9323 -3.9323 -3.6404 -3.6404 4.5267 4.5267 5.3915 5.3915 6.2370 6.2370 6.5001 6.5001 8.3694 8.3694 8.3707 8.3707 8.4058 8.4058 9.0089 9.0089 9.0958 9.0958 11.2329 11.2329 k = 0.0000 0.0000 0.2790 ( 6563 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -3.9117 -3.9117 -3.6638 -3.6638 4.6045 4.6045 5.3079 5.3079 6.2377 6.2377 6.5009 6.5009 8.3698 8.3698 8.3706 8.3706 8.4021 8.4021 9.0093 9.0093 9.0925 9.0925 11.2375 11.2375 k = 0.0000 0.0000 0.2906 ( 6562 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -3.9038 -3.9038 -3.6726 -3.6726 4.6350 4.6350 5.2755 5.2755 6.2380 6.2380 6.5011 6.5011 8.3699 8.3699 8.3706 8.3706 8.4009 8.4009 9.0094 9.0094 9.0913 9.0913 11.2390 11.2390 k = 0.0000 0.0000 0.2906 ( 6562 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -3.9038 -3.9038 -3.6726 -3.6726 4.6350 4.6350 5.2755 5.2755 6.2380 6.2380 6.5011 6.5011 8.3699 8.3699 8.3706 8.3706 8.4009 8.4009 9.0094 9.0094 9.0913 9.0913 11.2390 11.2390 k = 0.0102 0.0059 0.2906 ( 6566 PWs) bands (ev): -49.5192 -49.5192 -26.1908 -26.1908 -25.5460 -25.5460 -25.5225 -25.5225 -3.9027 -3.9027 -3.6717 -3.6717 4.6359 4.6359 5.2730 5.2730 6.2388 6.2388 6.5017 6.5017 8.3207 8.3207 8.3649 8.3649 8.4432 8.4432 8.9864 8.9864 9.1200 9.1200 11.2338 11.2338 k = 0.0204 0.0118 0.2906 ( 6566 PWs) bands (ev): -49.5192 -49.5192 -26.1908 -26.1908 -25.5460 -25.5460 -25.5225 -25.5225 -3.8994 -3.8994 -3.6692 -3.6692 4.6387 4.6387 5.2656 5.2656 6.2411 6.2411 6.5034 6.5034 8.2516 8.2516 8.3499 8.3499 8.4890 8.4890 8.9522 8.9522 9.1720 9.1720 11.2180 11.2180 k = 0.0306 0.0177 0.2906 ( 6566 PWs) bands (ev): -49.5192 -49.5192 -26.1909 -26.1909 -25.5462 -25.5462 -25.5225 -25.5225 -3.8938 -3.8938 -3.6650 -3.6650 4.6433 4.6433 5.2535 5.2535 6.2449 6.2449 6.5062 6.5062 8.1750 8.1750 8.3248 8.3248 8.5247 8.5247 8.9280 8.9280 9.2282 9.2282 11.1916 11.1916 k = 0.0408 0.0236 0.2906 ( 6556 PWs) bands (ev): -49.5192 -49.5192 -26.1910 -26.1910 -25.5464 -25.5464 -25.5225 -25.5225 -3.8860 -3.8860 -3.6591 -3.6591 4.6496 4.6496 5.2368 5.2368 6.2499 6.2499 6.5101 6.5101 8.0912 8.0912 8.2903 8.2903 8.5485 8.5485 8.9195 8.9195 9.2844 9.2844 11.1544 11.1544 k = 0.0510 0.0295 0.2906 ( 6560 PWs) bands (ev): -49.5192 -49.5192 -26.1911 -26.1911 -25.5466 -25.5466 -25.5225 -25.5225 -3.8760 -3.8760 -3.6516 -3.6516 4.6577 4.6577 5.2159 5.2159 6.2557 6.2557 6.5148 6.5148 8.0000 8.0000 8.2477 8.2477 8.5604 8.5604 8.9274 8.9274 9.3389 9.3389 11.1067 11.1067 k = 0.0612 0.0353 0.2906 ( 6546 PWs) bands (ev): -49.5191 -49.5191 -26.1912 -26.1912 -25.5469 -25.5469 -25.5225 -25.5225 -3.8639 -3.8639 -3.6424 -3.6424 4.6674 4.6674 5.1912 5.1912 6.2622 6.2622 6.5202 6.5202 7.9016 7.9016 8.1991 8.1991 8.5632 8.5632 8.9488 8.9488 9.3908 9.3908 11.0487 11.0487 k = 0.0714 0.0412 0.2906 ( 6540 PWs) bands (ev): -49.5191 -49.5191 -26.1914 -26.1914 -25.5473 -25.5473 -25.5226 -25.5226 -3.8496 -3.8496 -3.6316 -3.6316 4.6785 4.6785 5.1629 5.1629 6.2689 6.2689 6.5261 6.5261 7.7963 7.7963 8.1466 8.1466 8.5599 8.5599 8.9792 8.9792 9.4396 9.4396 10.9816 10.9816 k = 0.0816 0.0471 0.2906 ( 6532 PWs) bands (ev): -49.5191 -49.5191 -26.1916 -26.1916 -25.5477 -25.5477 -25.5226 -25.5226 -3.8331 -3.8331 -3.6192 -3.6192 4.6910 4.6910 5.1315 5.1315 6.2757 6.2757 6.5323 6.5323 7.6848 7.6848 8.0919 8.0919 8.5532 8.5532 9.0147 9.0147 9.4851 9.4851 10.9069 10.9069 k = 0.0918 0.0530 0.2906 ( 6530 PWs) bands (ev): -49.5190 -49.5190 -26.1919 -26.1919 -25.5481 -25.5481 -25.5226 -25.5226 -3.8146 -3.8146 -3.6052 -3.6052 4.7046 4.7046 5.0974 5.0974 6.2822 6.2822 6.5383 6.5383 7.5681 7.5681 8.0366 8.0366 8.5444 8.5444 9.0525 9.0525 9.5271 9.5271 10.8265 10.8265 k = 0.1020 0.0589 0.2906 ( 6536 PWs) bands (ev): -49.5190 -49.5190 -26.1921 -26.1921 -25.5486 -25.5486 -25.5226 -25.5226 -3.7939 -3.7939 -3.5896 -3.5896 4.7190 4.7190 5.0610 5.0610 6.2882 6.2882 6.5436 6.5436 7.4473 7.4473 7.9816 7.9816 8.5344 8.5344 9.0910 9.0910 9.5656 9.5656 10.7426 10.7426 k = 0.1122 0.0648 0.2906 ( 6548 PWs) bands (ev): -49.5189 -49.5189 -26.1924 -26.1924 -25.5492 -25.5492 -25.5226 -25.5226 -3.7713 -3.7713 -3.5725 -3.5725 4.7336 4.7336 5.0229 5.0229 6.2934 6.2934 6.5479 6.5479 7.3238 7.3238 7.9275 7.9275 8.5233 8.5233 9.1290 9.1290 9.6003 9.6003 10.6571 10.6571 k = 0.1224 0.0707 0.2906 ( 6548 PWs) bands (ev): -49.5188 -49.5188 -26.1927 -26.1927 -25.5498 -25.5498 -25.5226 -25.5226 -3.7466 -3.7466 -3.5539 -3.5539 4.7476 4.7476 4.9840 4.9840 6.2977 6.2977 6.5501 6.5501 7.1990 7.1990 7.8749 7.8749 8.5114 8.5114 9.1657 9.1657 9.6313 9.6313 10.5723 10.5723 k = 0.1327 0.0766 0.2906 ( 6544 PWs) bands (ev): -49.5188 -49.5188 -26.1930 -26.1930 -25.5504 -25.5504 -25.5226 -25.5226 -3.7200 -3.7200 -3.5338 -3.5338 4.7594 4.7594 4.9456 4.9456 6.3007 6.3007 6.5491 6.5491 7.0751 7.0751 7.8240 7.8240 8.4985 8.4985 9.2006 9.2006 9.6582 9.6582 10.4900 10.4900 k = 0.1429 0.0825 0.2906 ( 6544 PWs) bands (ev): -49.5187 -49.5187 -26.1934 -26.1934 -25.5511 -25.5511 -25.5226 -25.5226 -3.6916 -3.6916 -3.5123 -3.5123 4.7656 4.7656 4.9110 4.9110 6.3020 6.3020 6.5426 6.5426 6.9553 6.9553 7.7753 7.7753 8.4847 8.4847 9.2333 9.2333 9.6806 9.6806 10.4124 10.4124 k = 0.1531 0.0884 0.2906 ( 6546 PWs) bands (ev): -49.5186 -49.5186 -26.1937 -26.1937 -25.5518 -25.5518 -25.5226 -25.5226 -3.6613 -3.6613 -3.4893 -3.4893 4.7597 4.7597 4.8862 4.8862 6.3010 6.3010 6.5264 6.5264 6.8452 6.8452 7.7288 7.7288 8.4697 8.4697 9.2634 9.2634 9.6976 9.6976 10.3417 10.3417 k = 0.1633 0.0943 0.2906 ( 6538 PWs) bands (ev): -49.5185 -49.5185 -26.1941 -26.1941 -25.5525 -25.5525 -25.5226 -25.5226 -3.6293 -3.6293 -3.4650 -3.4650 4.7363 4.7363 4.8762 4.8762 6.2961 6.2961 6.4931 6.4931 6.7546 6.7546 7.6850 7.6850 8.4535 8.4535 9.2907 9.2907 9.7083 9.7083 10.2802 10.2802 k = 0.1735 0.1002 0.2906 ( 6532 PWs) bands (ev): -49.5184 -49.5184 -26.1945 -26.1945 -25.5533 -25.5533 -25.5226 -25.5226 -3.5956 -3.5956 -3.4393 -3.4393 4.6987 4.6987 4.8769 4.8769 6.2827 6.2827 6.4387 6.4387 6.6930 6.6930 7.6438 7.6438 8.4360 8.4360 9.3148 9.3148 9.7115 9.7115 10.2302 10.2302 k = 0.1837 0.1060 0.2906 ( 6536 PWs) bands (ev): -49.5183 -49.5183 -26.1949 -26.1949 -25.5541 -25.5541 -25.5226 -25.5226 -3.5604 -3.5604 -3.4124 -3.4124 4.6534 4.6534 4.8809 4.8809 6.2477 6.2477 6.3810 6.3810 6.6571 6.6571 7.6056 7.6056 8.4169 8.4169 9.3357 9.3357 9.7065 9.7065 10.1936 10.1936 k = 0.1939 0.1119 0.2906 ( 6540 PWs) bands (ev): -49.5183 -49.5183 -26.1953 -26.1953 -25.5549 -25.5549 -25.5226 -25.5226 -3.5237 -3.5237 -3.3842 -3.3842 4.6038 4.6038 4.8831 4.8831 6.1782 6.1782 6.3465 6.3465 6.6349 6.6349 7.5705 7.5705 8.3962 8.3962 9.3530 9.3530 9.6935 9.6935 10.1709 10.1709 k = 0.2041 0.1178 0.2906 ( 6544 PWs) bands (ev): -49.5182 -49.5182 -26.1958 -26.1958 -25.5558 -25.5558 -25.5226 -25.5226 -3.4858 -3.4858 -3.3548 -3.3548 4.5517 4.5517 4.8802 4.8802 6.0899 6.0899 6.3294 6.3294 6.6185 6.6185 7.5385 7.5385 8.3740 8.3740 9.3667 9.3667 9.6740 9.6740 10.1615 10.1615 k = 0.2143 0.1237 0.2906 ( 6546 PWs) bands (ev): -49.5181 -49.5181 -26.1962 -26.1962 -25.5567 -25.5567 -25.5226 -25.5226 -3.4466 -3.4466 -3.3241 -3.3241 4.4977 4.4977 4.8694 4.8694 6.0007 6.0007 6.3180 6.3180 6.6040 6.6040 7.5097 7.5097 8.3501 8.3501 9.3767 9.3767 9.6506 9.6506 10.1631 10.1631 k = 0.2245 0.1296 0.2906 ( 6538 PWs) bands (ev): -49.5180 -49.5180 -26.1967 -26.1967 -25.5576 -25.5576 -25.5226 -25.5226 -3.4064 -3.4064 -3.2923 -3.2923 4.4423 4.4423 4.8480 4.8480 5.9190 5.9190 6.3082 6.3082 6.5901 6.5901 7.4841 7.4841 8.3248 8.3248 9.3830 9.3830 9.6259 9.6259 10.1737 10.1737 k = 0.2347 0.1355 0.2906 ( 6536 PWs) bands (ev): -49.5179 -49.5179 -26.1971 -26.1971 -25.5584 -25.5584 -25.5226 -25.5226 -3.3655 -3.3655 -3.2593 -3.2593 4.3857 4.3857 4.8138 4.8138 5.8493 5.8493 6.2985 6.2985 6.5759 6.5759 7.4617 7.4617 8.2982 8.2982 9.3856 9.3856 9.6018 9.6018 10.1912 10.1912 k = 0.2449 0.1414 0.2906 ( 6540 PWs) bands (ev): -49.5178 -49.5178 -26.1976 -26.1976 -25.5594 -25.5594 -25.5225 -25.5225 -3.3241 -3.3241 -3.2250 -3.2250 4.3281 4.3281 4.7656 4.7656 5.7935 5.7935 6.2885 6.2885 6.5615 6.5615 7.4424 7.4424 8.2706 8.2706 9.3847 9.3847 9.5798 9.5798 10.2141 10.2141 k = 0.2551 0.1473 0.2906 ( 6532 PWs) bands (ev): -49.5177 -49.5177 -26.1981 -26.1981 -25.5603 -25.5603 -25.5225 -25.5225 -3.2824 -3.2824 -3.1894 -3.1894 4.2696 4.2696 4.7036 4.7036 5.7517 5.7517 6.2783 6.2783 6.5470 6.5470 7.4262 7.4262 8.2422 8.2422 9.3808 9.3808 9.5603 9.5603 10.2414 10.2414 k = 0.2653 0.1532 0.2906 ( 6540 PWs) bands (ev): -49.5176 -49.5176 -26.1985 -26.1985 -25.5612 -25.5612 -25.5225 -25.5225 -3.2409 -3.2409 -3.1523 -3.1523 4.2102 4.2102 4.6295 4.6295 5.7226 5.7226 6.2679 6.2679 6.5329 6.5329 7.4128 7.4128 8.2134 8.2134 9.3743 9.3743 9.5436 9.5436 10.2723 10.2723 k = 0.2755 0.1591 0.2906 ( 6540 PWs) bands (ev): -49.5175 -49.5175 -26.1990 -26.1990 -25.5621 -25.5621 -25.5224 -25.5224 -3.1998 -3.1998 -3.1138 -3.1138 4.1500 4.1500 4.5459 4.5459 5.7035 5.7035 6.2573 6.2573 6.5197 6.5197 7.4022 7.4022 8.1846 8.1846 9.3657 9.3657 9.5294 9.5294 10.3063 10.3063 k = 0.2857 0.1650 0.2906 ( 6544 PWs) bands (ev): -49.5174 -49.5174 -26.1994 -26.1994 -25.5629 -25.5629 -25.5224 -25.5224 -3.1596 -3.1596 -3.0738 -3.0738 4.0889 4.0889 4.4557 4.4557 5.6914 5.6914 6.2467 6.2467 6.5083 6.5083 7.3941 7.3941 8.1558 8.1558 9.3554 9.3554 9.5173 9.5173 10.3429 10.3429 k = 0.2959 0.1708 0.2906 ( 6542 PWs) bands (ev): -49.5173 -49.5173 -26.1999 -26.1999 -25.5638 -25.5638 -25.5224 -25.5224 -3.1204 -3.1204 -3.0322 -3.0322 4.0268 4.0268 4.3618 4.3618 5.6837 5.6837 6.2361 6.2361 6.4994 6.4994 7.3884 7.3884 8.1275 8.1275 9.3438 9.3438 9.5070 9.5070 10.3814 10.3814 k = 0.3061 0.1767 0.2906 ( 6538 PWs) bands (ev): -49.5172 -49.5172 -26.2003 -26.2003 -25.5647 -25.5647 -25.5223 -25.5223 -3.0823 -3.0823 -2.9895 -2.9895 3.9633 3.9633 4.2668 4.2668 5.6781 5.6781 6.2252 6.2252 6.4942 6.4942 7.3848 7.3848 8.0997 8.0997 9.3312 9.3312 9.4983 9.4983 10.4210 10.4210 k = 0.3163 0.1826 0.2906 ( 6536 PWs) bands (ev): -49.5171 -49.5171 -26.2008 -26.2008 -25.5655 -25.5655 -25.5223 -25.5223 -3.0455 -3.0455 -2.9457 -2.9457 3.8979 3.8979 4.1732 4.1732 5.6728 5.6728 6.2138 6.2138 6.4934 6.4934 7.3832 7.3832 8.0725 8.0725 9.3178 9.3178 9.4910 9.4910 10.4603 10.4603 k = 0.3265 0.1885 0.2906 ( 6536 PWs) bands (ev): -49.5170 -49.5170 -26.2012 -26.2012 -25.5663 -25.5663 -25.5223 -25.5223 -3.0100 -3.0100 -2.9014 -2.9014 3.8302 3.8302 4.0830 4.0830 5.6668 5.6668 6.2016 6.2016 6.4977 6.4977 7.3833 7.3833 8.0461 8.0461 9.3037 9.3037 9.4847 9.4847 10.4968 10.4968 k = 0.3367 0.1944 0.2906 ( 6536 PWs) bands (ev): -49.5169 -49.5169 -26.2016 -26.2016 -25.5671 -25.5671 -25.5222 -25.5222 -2.9756 -2.9756 -2.8568 -2.8568 3.7597 3.7597 3.9983 3.9983 5.6593 5.6593 6.1885 6.1885 6.5075 6.5075 7.3851 7.3851 8.0203 8.0203 9.2892 9.2892 9.4794 9.4794 10.5270 10.5270 k = 0.3469 0.2003 0.2906 ( 6532 PWs) bands (ev): -49.5169 -49.5169 -26.2020 -26.2020 -25.5679 -25.5679 -25.5222 -25.5222 -2.9425 -2.9425 -2.8125 -2.8125 3.6861 3.6861 3.9203 3.9203 5.6500 5.6500 6.1745 6.1745 6.5226 6.5226 7.3883 7.3883 7.9953 7.9953 9.2744 9.2744 9.4749 9.4749 10.5482 10.5482 k = 0.3571 0.2062 0.2906 ( 6534 PWs) bands (ev): -49.5168 -49.5168 -26.2024 -26.2024 -25.5686 -25.5686 -25.5221 -25.5221 -2.9107 -2.9107 -2.7687 -2.7687 3.6101 3.6101 3.8494 3.8494 5.6391 5.6391 6.1598 6.1598 6.5425 6.5425 7.3928 7.3928 7.9709 7.9709 9.2595 9.2595 9.4710 9.4710 10.5612 10.5612 k = 0.3673 0.2121 0.2906 ( 6538 PWs) bands (ev): -49.5167 -49.5167 -26.2028 -26.2028 -25.5693 -25.5693 -25.5221 -25.5221 -2.8803 -2.8803 -2.7259 -2.7259 3.5328 3.5328 3.7855 3.7855 5.6269 5.6269 6.1446 6.1446 6.5665 6.5665 7.3985 7.3985 7.9470 7.9470 9.2447 9.2447 9.4676 9.4676 10.5687 10.5687 k = 0.3776 0.2180 0.2906 ( 6548 PWs) bands (ev): -49.5166 -49.5166 -26.2031 -26.2031 -25.5700 -25.5700 -25.5221 -25.5221 -2.8513 -2.8513 -2.6843 -2.6843 3.4558 3.4558 3.7278 3.7278 5.6136 5.6136 6.1293 6.1293 6.5936 6.5936 7.4052 7.4052 7.9237 7.9237 9.2302 9.2302 9.4645 9.4645 10.5731 10.5731 k = 0.3878 0.2239 0.2906 ( 6544 PWs) bands (ev): -49.5166 -49.5166 -26.2034 -26.2034 -25.5706 -25.5706 -25.5220 -25.5220 -2.8240 -2.8240 -2.6444 -2.6444 3.3808 3.3808 3.6755 3.6755 5.5997 5.5997 6.1143 6.1143 6.6229 6.6229 7.4129 7.4129 7.9007 7.9007 9.2162 9.2162 9.4616 9.4616 10.5759 10.5759 k = 0.3980 0.2298 0.2906 ( 6536 PWs) bands (ev): -49.5165 -49.5165 -26.2037 -26.2037 -25.5711 -25.5711 -25.5220 -25.5220 -2.7984 -2.7984 -2.6065 -2.6065 3.3089 3.3089 3.6282 3.6282 5.5856 5.5856 6.0998 6.0998 6.6535 6.6535 7.4215 7.4215 7.8781 7.8781 9.2028 9.2028 9.4590 9.4590 10.5778 10.5778 k = 0.4082 0.2357 0.2906 ( 6552 PWs) bands (ev): -49.5165 -49.5165 -26.2040 -26.2040 -25.5716 -25.5716 -25.5220 -25.5220 -2.7747 -2.7747 -2.5710 -2.5710 3.2413 3.2413 3.5854 3.5854 5.5718 5.5718 6.0861 6.0861 6.6845 6.6845 7.4309 7.4309 7.8558 7.8558 9.1903 9.1903 9.4564 9.4564 10.5792 10.5792 k = 0.4184 0.2415 0.2906 ( 6554 PWs) bands (ev): -49.5164 -49.5164 -26.2042 -26.2042 -25.5721 -25.5721 -25.5220 -25.5220 -2.7530 -2.7530 -2.5380 -2.5380 3.1788 3.1788 3.5471 3.5471 5.5585 5.5585 6.0733 6.0733 6.7149 6.7149 7.4410 7.4410 7.8339 7.8339 9.1787 9.1787 9.4541 9.4541 10.5803 10.5803 k = 0.4286 0.2474 0.2906 ( 6550 PWs) bands (ev): -49.5164 -49.5164 -26.2045 -26.2045 -25.5725 -25.5725 -25.5219 -25.5219 -2.7335 -2.7335 -2.5081 -2.5081 3.1222 3.1222 3.5130 3.5130 5.5461 5.5461 6.0618 6.0618 6.7439 6.7439 7.4518 7.4518 7.8124 7.8124 9.1681 9.1681 9.4518 9.4518 10.5812 10.5812 k = 0.4388 0.2533 0.2906 ( 6546 PWs) bands (ev): -49.5163 -49.5163 -26.2047 -26.2047 -25.5729 -25.5729 -25.5219 -25.5219 -2.7162 -2.7162 -2.4814 -2.4814 3.0720 3.0720 3.4833 3.4833 5.5349 5.5349 6.0515 6.0515 6.7709 6.7709 7.4630 7.4630 7.7916 7.7916 9.1587 9.1587 9.4498 9.4498 10.5819 10.5819 k = 0.4490 0.2592 0.2906 ( 6546 PWs) bands (ev): -49.5163 -49.5163 -26.2048 -26.2048 -25.5732 -25.5732 -25.5219 -25.5219 -2.7014 -2.7014 -2.4584 -2.4584 3.0287 3.0287 3.4580 3.4580 5.5251 5.5251 6.0426 6.0426 6.7950 6.7950 7.4745 7.4745 7.7718 7.7718 9.1506 9.1506 9.4479 9.4479 10.5825 10.5825 k = 0.4592 0.2651 0.2906 ( 6542 PWs) bands (ev): -49.5163 -49.5163 -26.2050 -26.2050 -25.5735 -25.5735 -25.5219 -25.5219 -2.6892 -2.6892 -2.4391 -2.4391 2.9928 2.9928 3.4372 3.4372 5.5168 5.5168 6.0353 6.0353 6.8157 6.8157 7.4858 7.4858 7.7535 7.7535 9.1439 9.1439 9.4464 9.4464 10.5830 10.5830 k = 0.4694 0.2710 0.2906 ( 6554 PWs) bands (ev): -49.5162 -49.5162 -26.2051 -26.2051 -25.5737 -25.5737 -25.5219 -25.5219 -2.6795 -2.6795 -2.4239 -2.4239 2.9645 2.9645 3.4209 3.4209 5.5102 5.5102 6.0295 6.0295 6.8324 6.8324 7.4963 7.4963 7.7374 7.7374 9.1386 9.1386 9.4451 9.4451 10.5834 10.5834 k = 0.4796 0.2769 0.2906 ( 6554 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5738 -25.5738 -25.5219 -25.5219 -2.6726 -2.6726 -2.4128 -2.4128 2.9441 2.9441 3.4092 3.4092 5.5054 5.5054 6.0253 6.0253 6.8446 6.8446 7.5050 7.5050 7.7246 7.7246 9.1347 9.1347 9.4441 9.4441 10.5837 10.5837 k = 0.4898 0.2828 0.2906 ( 6550 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6684 -2.6684 -2.4062 -2.4062 2.9317 2.9317 3.4021 3.4021 5.5025 5.5025 6.0228 6.0228 6.8521 6.8521 7.5109 7.5109 7.7162 7.7162 9.1324 9.1324 9.4435 9.4435 10.5838 10.5838 k = 0.5000 0.2887 0.2906 ( 6552 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6670 -2.6670 -2.4040 -2.4040 2.9276 2.9276 3.3998 3.3998 5.5015 5.5015 6.0220 6.0220 6.8546 6.8546 7.5130 7.5130 7.7132 7.7132 9.1316 9.1316 9.4433 9.4433 10.5839 10.5839 k = 0.5000 0.2887 0.2906 ( 6552 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6670 -2.6670 -2.4040 -2.4040 2.9276 2.9276 3.3998 3.3998 5.5015 5.5015 6.0220 6.0220 6.8546 6.8546 7.5130 7.5130 7.7132 7.7132 9.1316 9.1316 9.4433 9.4433 10.5839 10.5839 k = 0.4940 0.2990 0.2906 ( 6536 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5219 -25.5219 -2.6663 -2.6663 -2.4037 -2.4037 2.9291 2.9291 3.4007 3.4007 5.5011 5.5011 6.0193 6.0193 6.8504 6.8504 7.4874 7.4874 7.7360 7.7360 9.1322 9.1322 9.4427 9.4427 10.5797 10.5797 k = 0.4881 0.3093 0.2906 ( 6536 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5219 -25.5219 -2.6643 -2.6643 -2.4030 -2.4030 2.9335 2.9335 3.4036 3.4036 5.4998 5.4998 6.0114 6.0114 6.8377 6.8377 7.4300 7.4300 7.7854 7.7854 9.1339 9.1339 9.4406 9.4406 10.5676 10.5676 k = 0.4821 0.3196 0.2906 ( 6540 PWs) bands (ev): -49.5162 -49.5162 -26.2053 -26.2053 -25.5740 -25.5740 -25.5219 -25.5219 -2.6610 -2.6610 -2.4018 -2.4018 2.9409 2.9409 3.4084 3.4084 5.4975 5.4975 5.9983 5.9983 6.8164 6.8164 7.3610 7.3610 7.8419 7.8419 9.1367 9.1367 9.4373 9.4373 10.5487 10.5487 k = 0.4762 0.3299 0.2906 ( 6540 PWs) bands (ev): -49.5162 -49.5162 -26.2053 -26.2053 -25.5740 -25.5740 -25.5219 -25.5219 -2.6564 -2.6564 -2.4001 -2.4001 2.9512 2.9512 3.4151 3.4151 5.4938 5.4938 5.9801 5.9801 6.7859 6.7859 7.2882 7.2882 7.8992 7.8992 9.1404 9.1404 9.4325 9.4325 10.5247 10.5247 k = 0.4702 0.3402 0.2906 ( 6532 PWs) bands (ev): -49.5162 -49.5162 -26.2053 -26.2053 -25.5740 -25.5740 -25.5220 -25.5220 -2.6505 -2.6505 -2.3980 -2.3980 2.9644 2.9644 3.4237 3.4237 5.4885 5.4885 5.9569 5.9569 6.7463 6.7463 7.2155 7.2155 7.9550 7.9550 9.1449 9.1449 9.4264 9.4264 10.4976 10.4976 k = 0.4643 0.3505 0.2906 ( 6544 PWs) bands (ev): -49.5162 -49.5162 -26.2054 -26.2054 -25.5741 -25.5741 -25.5221 -25.5221 -2.6434 -2.6434 -2.3955 -2.3955 2.9805 2.9805 3.4342 3.4342 5.4809 5.4809 5.9289 5.9289 6.6975 6.6975 7.1452 7.1452 8.0089 8.0089 9.1498 9.1498 9.4190 9.4190 10.4694 10.4694 k = 0.4583 0.3608 0.2906 ( 6548 PWs) bands (ev): -49.5162 -49.5162 -26.2054 -26.2054 -25.5741 -25.5741 -25.5221 -25.5221 -2.6351 -2.6351 -2.3926 -2.3926 2.9995 2.9995 3.4464 3.4464 5.4703 5.4703 5.8962 5.8962 6.6404 6.6404 7.0787 7.0787 8.0607 8.0607 9.1548 9.1548 9.4102 9.4102 10.4419 10.4419 k = 0.4524 0.3712 0.2906 ( 6556 PWs) bands (ev): -49.5161 -49.5161 -26.2055 -26.2055 -25.5742 -25.5742 -25.5222 -25.5222 -2.6256 -2.6256 -2.3894 -2.3894 3.0214 3.0214 3.4605 3.4605 5.4560 5.4560 5.8588 5.8588 6.5769 6.5769 7.0166 7.0166 8.1105 8.1105 9.1595 9.1595 9.4001 9.4001 10.4169 10.4169 k = 0.4464 0.3815 0.2906 ( 6542 PWs) bands (ev): -49.5161 -49.5161 -26.2055 -26.2055 -25.5743 -25.5743 -25.5223 -25.5223 -2.6151 -2.6151 -2.3858 -2.3858 3.0461 3.0461 3.4763 3.4763 5.4370 5.4370 5.8166 5.8166 6.5096 6.5096 6.9589 6.9589 8.1587 8.1587 9.1636 9.1636 9.3886 9.3886 10.3957 10.3957 k = 0.4405 0.3918 0.2906 ( 6554 PWs) bands (ev): -49.5161 -49.5161 -26.2056 -26.2056 -25.5744 -25.5744 -25.5224 -25.5224 -2.6035 -2.6035 -2.3821 -2.3821 3.0735 3.0735 3.4938 3.4938 5.4124 5.4124 5.7693 5.7693 6.4420 6.4420 6.9049 6.9049 8.2054 8.2054 9.1666 9.1666 9.3759 9.3759 10.3795 10.3795 k = 0.4345 0.4021 0.2906 ( 6556 PWs) bands (ev): -49.5161 -49.5161 -26.2057 -26.2057 -25.5744 -25.5744 -25.5225 -25.5225 -2.5910 -2.5910 -2.3781 -2.3781 3.1036 3.1036 3.5129 3.5129 5.3813 5.3813 5.7163 5.7163 6.3777 6.3777 6.8540 6.8540 8.2511 8.2511 9.1682 9.1682 9.3619 9.3619 10.3691 10.3691 k = 0.4286 0.4124 0.2906 ( 6552 PWs) bands (ev): -49.5161 -49.5161 -26.2058 -26.2058 -25.5745 -25.5745 -25.5226 -25.5226 -2.5777 -2.5777 -2.3740 -2.3740 3.1364 3.1364 3.5336 3.5336 5.3429 5.3429 5.6572 5.6572 6.3200 6.3200 6.8057 6.8057 8.2958 8.2958 9.1679 9.1679 9.3466 9.3466 10.3653 10.3653 k = 0.4226 0.4227 0.2906 ( 6544 PWs) bands (ev): -49.5161 -49.5161 -26.2058 -26.2058 -25.5746 -25.5746 -25.5227 -25.5227 -2.5636 -2.5636 -2.3698 -2.3698 3.1718 3.1718 3.5557 3.5557 5.2969 5.2969 5.5920 5.5920 6.2713 6.2713 6.7596 6.7596 8.3399 8.3399 9.1655 9.1655 9.3301 9.3301 10.3683 10.3683 k = 0.4167 0.4330 0.2906 ( 6548 PWs) bands (ev): -49.5160 -49.5160 -26.2059 -26.2059 -25.5747 -25.5747 -25.5228 -25.5228 -2.5489 -2.5489 -2.3656 -2.3656 3.2097 3.2097 3.5792 3.5792 5.2431 5.2431 5.5214 5.5214 6.2329 6.2329 6.7156 6.7156 8.3835 8.3835 9.1610 9.1610 9.3125 9.3125 10.3782 10.3782 k = 0.4107 0.4433 0.2906 ( 6546 PWs) bands (ev): -49.5160 -49.5160 -26.2060 -26.2060 -25.5748 -25.5748 -25.5229 -25.5229 -2.5336 -2.5336 -2.3615 -2.3615 3.2500 3.2500 3.6038 3.6038 5.1817 5.1817 5.4469 5.4469 6.2046 6.2046 6.6734 6.6734 8.4269 8.4269 9.1543 9.1543 9.2937 9.2937 10.3950 10.3950 k = 0.4048 0.4536 0.2906 ( 6538 PWs) bands (ev): -49.5160 -49.5160 -26.2061 -26.2061 -25.5750 -25.5750 -25.5230 -25.5230 -2.5180 -2.5180 -2.3576 -2.3576 3.2925 3.2925 3.6296 3.6296 5.1128 5.1128 5.3706 5.3706 6.1857 6.1857 6.6331 6.6331 8.4700 8.4700 9.1455 9.1455 9.2738 9.2738 10.4184 10.4184 k = 0.3988 0.4639 0.2906 ( 6554 PWs) bands (ev): -49.5160 -49.5160 -26.2062 -26.2062 -25.5751 -25.5751 -25.5231 -25.5231 -2.5020 -2.5020 -2.3539 -2.3539 3.3371 3.3371 3.6562 3.6562 5.0372 5.0372 5.2947 5.2947 6.1748 6.1748 6.5946 6.5946 8.5130 8.5130 9.1349 9.1349 9.2529 9.2529 10.4478 10.4478 k = 0.3929 0.4743 0.2906 ( 6554 PWs) bands (ev): -49.5159 -49.5159 -26.2063 -26.2063 -25.5752 -25.5752 -25.5231 -25.5231 -2.4860 -2.4860 -2.3505 -2.3505 3.3834 3.3834 3.6836 3.6836 4.9558 4.9558 5.2210 5.2210 6.1704 6.1704 6.5582 6.5582 8.5560 8.5560 9.1227 9.1227 9.2311 9.2311 10.4828 10.4828 k = 0.3869 0.4846 0.2906 ( 6550 PWs) bands (ev): -49.5159 -49.5159 -26.2063 -26.2063 -25.5753 -25.5753 -25.5232 -25.5232 -2.4700 -2.4700 -2.3476 -2.3476 3.4313 3.4313 3.7116 3.7116 4.8701 4.8701 5.1508 5.1508 6.1713 6.1713 6.5237 6.5237 8.5989 8.5989 9.1091 9.1091 9.2085 9.2085 10.5226 10.5226 k = 0.3810 0.4949 0.2906 ( 6562 PWs) bands (ev): -49.5159 -49.5159 -26.2064 -26.2064 -25.5754 -25.5754 -25.5233 -25.5233 -2.4542 -2.4542 -2.3453 -2.3453 3.4802 3.4802 3.7400 3.7400 4.7818 4.7818 5.0849 5.0849 6.1763 6.1763 6.4913 6.4913 8.6417 8.6417 9.0945 9.0945 9.1851 9.1851 10.5666 10.5666 k = 0.3750 0.5052 0.2906 ( 6542 PWs) bands (ev): -49.5159 -49.5159 -26.2065 -26.2065 -25.5755 -25.5755 -25.5234 -25.5234 -2.4388 -2.4388 -2.3436 -2.3436 3.5293 3.5293 3.7688 3.7688 4.6927 4.6927 5.0241 5.0241 6.1844 6.1844 6.4611 6.4611 8.6844 8.6844 9.0791 9.0791 9.1613 9.1613 10.6141 10.6141 k = 0.3690 0.5155 0.2906 ( 6542 PWs) bands (ev): -49.5159 -49.5159 -26.2066 -26.2066 -25.5756 -25.5756 -25.5234 -25.5234 -2.4239 -2.4239 -2.3426 -2.3426 3.5777 3.5777 3.7980 3.7980 4.6045 4.6045 4.9690 4.9690 6.1947 6.1947 6.4332 6.4332 8.7268 8.7268 9.0632 9.0632 9.1370 9.1370 10.6643 10.6643 k = 0.3631 0.5258 0.2906 ( 6546 PWs) bands (ev): -49.5159 -49.5159 -26.2066 -26.2066 -25.5757 -25.5757 -25.5235 -25.5235 -2.4098 -2.4098 -2.3424 -2.3424 3.6237 3.6237 3.8282 3.8282 4.5189 4.5189 4.9204 4.9204 6.2065 6.2065 6.4078 6.4078 8.7689 8.7689 9.0468 9.0468 9.1127 9.1127 10.7163 10.7163 k = 0.3571 0.5361 0.2906 ( 6550 PWs) bands (ev): -49.5158 -49.5158 -26.2067 -26.2067 -25.5758 -25.5758 -25.5235 -25.5235 -2.3967 -2.3967 -2.3432 -2.3432 3.6651 3.6651 3.8597 3.8597 4.4379 4.4379 4.8791 4.8791 6.2189 6.2189 6.3852 6.3852 8.8105 8.8105 9.0301 9.0301 9.0887 9.0887 10.7694 10.7694 k = 0.3512 0.5464 0.2906 ( 6558 PWs) bands (ev): -49.5158 -49.5158 -26.2067 -26.2067 -25.5758 -25.5758 -25.5235 -25.5235 -2.3848 -2.3848 -2.3450 -2.3450 3.6992 3.6992 3.8931 3.8931 4.3638 4.3638 4.8460 4.8460 6.2310 6.2310 6.3659 6.3659 8.8511 8.8511 9.0130 9.0130 9.0654 9.0654 10.8226 10.8226 k = 0.3452 0.5567 0.2906 ( 6564 PWs) bands (ev): -49.5158 -49.5158 -26.2067 -26.2067 -25.5759 -25.5759 -25.5235 -25.5235 -2.3742 -2.3742 -2.3480 -2.3480 3.7240 3.7240 3.9265 3.9265 4.3005 4.3005 4.8219 4.8219 6.2415 6.2415 6.3507 6.3507 8.8903 8.8903 8.9955 8.9955 9.0439 9.0439 10.8745 10.8745 k = 0.3393 0.5670 0.2906 ( 6568 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3653 -2.3653 -2.3521 -2.3521 3.7386 3.7386 3.9542 3.9542 4.2550 4.2550 4.8072 4.8072 6.2487 6.2487 6.3408 6.3408 8.9262 8.9262 8.9776 8.9776 9.0259 9.0259 10.9220 10.9220 k = 0.3333 0.5774 0.2906 ( 6552 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3595 -2.3595 -2.3563 -2.3563 3.7432 3.7432 3.9656 3.9656 4.2377 4.2377 4.8024 4.8024 6.2512 6.2512 6.3375 6.3375 8.9477 8.9477 8.9651 8.9651 9.0169 9.0169 10.9488 10.9488 k = 0.3333 0.5774 0.2906 ( 6552 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3595 -2.3595 -2.3563 -2.3563 3.7432 3.7432 3.9656 3.9656 4.2377 4.2377 4.8024 4.8024 6.2512 6.2512 6.3375 6.3375 8.9477 8.9477 8.9651 8.9651 9.0169 9.0169 10.9488 10.9488 k = 0.3274 0.5670 0.2906 ( 6568 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3651 -2.3651 -2.3524 -2.3524 3.7390 3.7390 3.9546 3.9546 4.2544 4.2544 4.8071 4.8071 6.2492 6.2492 6.3403 6.3403 8.9333 8.9333 8.9664 8.9664 9.0300 9.0300 10.9226 10.9226 k = 0.3214 0.5567 0.2906 ( 6562 PWs) bands (ev): -49.5158 -49.5158 -26.2067 -26.2067 -25.5759 -25.5759 -25.5235 -25.5235 -2.3734 -2.3734 -2.3495 -2.3495 3.7275 3.7275 3.9290 3.9290 4.2968 4.2968 4.8210 4.8210 6.2443 6.2443 6.3469 6.3469 8.9128 8.9128 8.9582 8.9582 9.0589 9.0589 10.8772 10.8772 k = 0.3155 0.5464 0.2906 ( 6554 PWs) bands (ev): -49.5158 -49.5158 -26.2067 -26.2067 -25.5758 -25.5758 -25.5235 -25.5235 -2.3834 -2.3834 -2.3488 -2.3488 3.7104 3.7104 3.8989 3.8989 4.3539 4.3539 4.8433 4.8433 6.2387 6.2387 6.3552 6.3552 8.8919 8.8919 8.9474 8.9474 9.0909 9.0909 10.8283 10.8283 k = 0.3095 0.5361 0.2906 ( 6558 PWs) bands (ev): -49.5159 -49.5159 -26.2066 -26.2066 -25.5757 -25.5757 -25.5235 -25.5235 -2.3950 -2.3950 -2.3507 -2.3507 3.6900 3.6900 3.8699 3.8699 4.4192 4.4192 4.8731 4.8731 6.2336 6.2336 6.3635 6.3635 8.8715 8.8715 8.9368 8.9368 9.1224 9.1224 10.7784 10.7784 k = 0.3036 0.5258 0.2906 ( 6562 PWs) bands (ev): -49.5159 -49.5159 -26.2066 -26.2066 -25.5756 -25.5756 -25.5235 -25.5235 -2.4083 -2.4083 -2.3552 -2.3552 3.6686 3.6686 3.8441 3.8441 4.4894 4.4894 4.9096 4.9096 6.2297 6.2297 6.3711 6.3711 8.8521 8.8521 8.9269 8.9269 9.1523 9.1523 10.7285 10.7285 k = 0.2976 0.5155 0.2906 ( 6550 PWs) bands (ev): -49.5159 -49.5159 -26.2065 -26.2065 -25.5754 -25.5754 -25.5234 -25.5234 -2.4233 -2.4233 -2.3624 -2.3624 3.6484 3.6484 3.8220 3.8220 4.5628 4.5628 4.9517 4.9517 6.2272 6.2272 6.3772 6.3772 8.8340 8.8340 8.9180 8.9180 9.1801 9.1801 10.6793 10.6793 k = 0.2917 0.5052 0.2906 ( 6554 PWs) bands (ev): -49.5159 -49.5159 -26.2064 -26.2064 -25.5753 -25.5753 -25.5234 -25.5234 -2.4399 -2.4399 -2.3726 -2.3726 3.6310 3.6310 3.8035 3.8035 4.6384 4.6384 4.9987 4.9987 6.2263 6.2263 6.3815 6.3815 8.8173 8.8173 8.9101 8.9101 9.2055 9.2055 10.6314 10.6314 k = 0.2857 0.4949 0.2906 ( 6550 PWs) bands (ev): -49.5159 -49.5159 -26.2062 -26.2062 -25.5750 -25.5750 -25.5234 -25.5234 -2.4583 -2.4583 -2.3857 -2.3857 3.6179 3.6179 3.7888 3.7888 4.7155 4.7155 5.0500 5.0500 6.2270 6.2270 6.3839 6.3839 8.8024 8.8024 8.9033 8.9033 9.2282 9.2282 10.5853 10.5853 k = 0.2798 0.4846 0.2906 ( 6548 PWs) bands (ev): -49.5160 -49.5160 -26.2061 -26.2061 -25.5748 -25.5748 -25.5233 -25.5233 -2.4783 -2.4783 -2.4017 -2.4017 3.6100 3.6100 3.7777 3.7777 4.7935 4.7935 5.1049 5.1049 6.2293 6.2293 6.3843 6.3843 8.7892 8.7892 8.8974 8.8974 9.2483 9.2483 10.5414 10.5414 k = 0.2738 0.4743 0.2906 ( 6548 PWs) bands (ev): -49.5160 -49.5160 -26.2059 -26.2059 -25.5745 -25.5745 -25.5233 -25.5233 -2.5001 -2.5001 -2.4207 -2.4207 3.6076 3.6076 3.7705 3.7705 4.8721 4.8721 5.1628 5.1628 6.2329 6.2329 6.3828 6.3828 8.7779 8.7779 8.8926 8.8926 9.2656 9.2656 10.5002 10.5002 k = 0.2679 0.4639 0.2906 ( 6544 PWs) bands (ev): -49.5161 -49.5161 -26.2057 -26.2057 -25.5742 -25.5742 -25.5232 -25.5232 -2.5234 -2.5234 -2.4426 -2.4426 3.6113 3.6113 3.7672 3.7672 4.9508 4.9508 5.2234 5.2234 6.2375 6.2375 6.3798 6.3798 8.7682 8.7682 8.8889 8.8889 9.2803 9.2803 10.4619 10.4619 k = 0.2619 0.4536 0.2906 ( 6550 PWs) bands (ev): -49.5161 -49.5161 -26.2055 -26.2055 -25.5738 -25.5738 -25.5232 -25.5232 -2.5484 -2.5484 -2.4674 -2.4674 3.6210 3.6210 3.7680 3.7680 5.0293 5.0293 5.2862 5.2862 6.2424 6.2424 6.3759 6.3759 8.7602 8.7602 8.8862 8.8862 9.2925 9.2925 10.4269 10.4269 k = 0.2560 0.4433 0.2906 ( 6546 PWs) bands (ev): -49.5162 -49.5162 -26.2053 -26.2053 -25.5734 -25.5734 -25.5231 -25.5231 -2.5748 -2.5748 -2.4950 -2.4950 3.6367 3.6367 3.7731 3.7731 5.1074 5.1074 5.3507 5.3507 6.2466 6.2466 6.3723 6.3723 8.7536 8.7536 8.8847 8.8847 9.3028 9.3028 10.3952 10.3952 k = 0.2500 0.4330 0.2906 ( 6542 PWs) bands (ev): -49.5162 -49.5162 -26.2050 -26.2050 -25.5729 -25.5729 -25.5231 -25.5231 -2.6027 -2.6027 -2.5252 -2.5252 3.6579 3.6579 3.7829 3.7829 5.1845 5.1845 5.4166 5.4166 6.2486 6.2486 6.3707 6.3707 8.7481 8.7481 8.8842 8.8842 9.3116 9.3116 10.3669 10.3669 k = 0.2440 0.4227 0.2906 ( 6546 PWs) bands (ev): -49.5163 -49.5163 -26.2047 -26.2047 -25.5724 -25.5724 -25.5230 -25.5230 -2.6319 -2.6319 -2.5580 -2.5580 3.6841 3.6841 3.7979 3.7979 5.2605 5.2605 5.4835 5.4835 6.2470 6.2470 6.3728 6.3728 8.7433 8.7433 8.8848 8.8848 9.3196 9.3196 10.3420 10.3420 k = 0.2381 0.4124 0.2906 ( 6550 PWs) bands (ev): -49.5163 -49.5163 -26.2044 -26.2044 -25.5719 -25.5719 -25.5230 -25.5230 -2.6623 -2.6623 -2.5930 -2.5930 3.7143 3.7143 3.8189 3.8189 5.3349 5.3349 5.5509 5.5509 6.2408 6.2408 6.3800 6.3800 8.7390 8.7390 8.8865 8.8865 9.3277 9.3277 10.3201 10.3201 k = 0.2321 0.4021 0.2906 ( 6554 PWs) bands (ev): -49.5164 -49.5164 -26.2041 -26.2041 -25.5714 -25.5714 -25.5229 -25.5229 -2.6939 -2.6939 -2.6303 -2.6303 3.7468 3.7468 3.8471 3.8471 5.4071 5.4071 5.6184 5.6184 6.2307 6.2307 6.3921 6.3921 8.7345 8.7345 8.8895 8.8895 9.3368 9.3368 10.3011 10.3011 k = 0.2262 0.3918 0.2906 ( 6548 PWs) bands (ev): -49.5165 -49.5165 -26.2038 -26.2038 -25.5708 -25.5708 -25.5229 -25.5229 -2.7266 -2.7266 -2.6695 -2.6695 3.7804 3.7804 3.8835 3.8835 5.4765 5.4765 5.6856 5.6856 6.2180 6.2180 6.4086 6.4086 8.7296 8.7296 8.8936 8.8936 9.3477 9.3477 10.2847 10.2847 k = 0.2202 0.3815 0.2906 ( 6544 PWs) bands (ev): -49.5165 -49.5165 -26.2034 -26.2034 -25.5701 -25.5701 -25.5229 -25.5229 -2.7601 -2.7601 -2.7104 -2.7104 3.8140 3.8140 3.9287 3.9287 5.5422 5.5422 5.7521 5.7521 6.2048 6.2048 6.4285 6.4285 8.7239 8.7239 8.8991 8.8991 9.3612 9.3612 10.2706 10.2706 k = 0.2143 0.3712 0.2906 ( 6540 PWs) bands (ev): -49.5166 -49.5166 -26.2031 -26.2031 -25.5695 -25.5695 -25.5228 -25.5228 -2.7944 -2.7944 -2.7529 -2.7529 3.8479 3.8479 3.9819 3.9819 5.6030 5.6030 5.8174 5.8174 6.1933 6.1933 6.4512 6.4512 8.7172 8.7172 8.9060 8.9060 9.3781 9.3781 10.2586 10.2586 k = 0.2083 0.3608 0.2906 ( 6528 PWs) bands (ev): -49.5167 -49.5167 -26.2027 -26.2027 -25.5688 -25.5688 -25.5228 -25.5228 -2.8293 -2.8293 -2.7967 -2.7967 3.8826 3.8826 4.0419 4.0419 5.6571 5.6571 5.8811 5.8811 6.1858 6.1858 6.4760 6.4760 8.7094 8.7094 8.9145 8.9145 9.3986 9.3986 10.2483 10.2483 k = 0.2024 0.3505 0.2906 ( 6532 PWs) bands (ev): -49.5168 -49.5168 -26.2023 -26.2023 -25.5680 -25.5680 -25.5228 -25.5228 -2.8649 -2.8649 -2.8416 -2.8416 3.9186 3.9186 4.1075 4.1075 5.7025 5.7025 5.9426 5.9426 6.1856 6.1856 6.5026 6.5026 8.7004 8.7004 8.9247 8.9247 9.4231 9.4231 10.2397 10.2397 k = 0.1964 0.3402 0.2906 ( 6540 PWs) bands (ev): -49.5169 -49.5169 -26.2019 -26.2019 -25.5673 -25.5673 -25.5227 -25.5227 -2.9008 -2.9008 -2.8874 -2.8874 3.9562 3.9562 4.1777 4.1777 5.7373 5.7373 6.0008 6.0008 6.1956 6.1956 6.5307 6.5307 8.6904 8.6904 8.9368 8.9368 9.4515 9.4515 10.2326 10.2326 k = 0.1905 0.3299 0.2906 ( 6536 PWs) bands (ev): -49.5170 -49.5170 -26.2014 -26.2014 -25.5665 -25.5665 -25.5227 -25.5227 -2.9373 -2.9373 -2.9334 -2.9334 3.9956 3.9956 4.2513 4.2513 5.7604 5.7604 6.0548 6.0548 6.2184 6.2184 6.5601 6.5601 8.6797 8.6797 8.9509 8.9509 9.4835 9.4835 10.2272 10.2272 k = 0.1845 0.3196 0.2906 ( 6528 PWs) bands (ev): -49.5171 -49.5171 -26.2010 -26.2010 -25.5656 -25.5656 -25.5227 -25.5227 -2.9811 -2.9811 -2.9729 -2.9729 4.0367 4.0367 4.3274 4.3274 5.7729 5.7729 6.1037 6.1037 6.2541 6.2541 6.5906 6.5906 8.6685 8.6685 8.9671 8.9671 9.5187 9.5187 10.2236 10.2236 k = 0.1786 0.3093 0.2906 ( 6528 PWs) bands (ev): -49.5172 -49.5172 -26.2005 -26.2005 -25.5648 -25.5648 -25.5227 -25.5227 -3.0282 -3.0282 -3.0094 -3.0094 4.0794 4.0794 4.4047 4.4047 5.7776 5.7776 6.1477 6.1477 6.3003 6.3003 6.6222 6.6222 8.6572 8.6572 8.9856 8.9856 9.5562 9.5562 10.2221 10.2221 k = 0.1726 0.2990 0.2906 ( 6536 PWs) bands (ev): -49.5173 -49.5173 -26.2001 -26.2001 -25.5640 -25.5640 -25.5227 -25.5227 -3.0754 -3.0754 -3.0456 -3.0456 4.1238 4.1238 4.4819 4.4819 5.7781 5.7781 6.1876 6.1876 6.3531 6.3531 6.6553 6.6553 8.6461 8.6461 9.0062 9.0062 9.5950 9.5950 10.2234 10.2234 k = 0.1667 0.2887 0.2906 ( 6532 PWs) bands (ev): -49.5173 -49.5173 -26.1996 -26.1996 -25.5631 -25.5631 -25.5227 -25.5227 -3.1225 -3.1225 -3.0817 -3.0817 4.1695 4.1695 4.5575 4.5575 5.7780 5.7780 6.2241 6.2241 6.4086 6.4086 6.6903 6.6903 8.6353 8.6353 9.0291 9.0291 9.6338 9.6338 10.2282 10.2282 k = 0.1607 0.2784 0.2906 ( 6526 PWs) bands (ev): -49.5174 -49.5174 -26.1991 -26.1991 -25.5622 -25.5622 -25.5227 -25.5227 -3.1693 -3.1693 -3.1174 -3.1174 4.2165 4.2165 4.6294 4.6294 5.7808 5.7808 6.2575 6.2575 6.4636 6.4636 6.7283 6.7283 8.6252 8.6252 9.0539 9.0539 9.6710 9.6710 10.2375 10.2375 k = 0.1548 0.2681 0.2906 ( 6526 PWs) bands (ev): -49.5175 -49.5175 -26.1987 -26.1987 -25.5613 -25.5613 -25.5227 -25.5227 -3.2157 -3.2157 -3.1527 -3.1527 4.2644 4.2644 4.6956 4.6956 5.7894 5.7894 6.2881 6.2881 6.5153 6.5153 6.7706 6.7706 8.6160 8.6160 9.0804 9.0804 9.7048 9.7048 10.2515 10.2515 k = 0.1488 0.2577 0.2906 ( 6530 PWs) bands (ev): -49.5176 -49.5176 -26.1982 -26.1982 -25.5604 -25.5604 -25.5227 -25.5227 -3.2614 -3.2614 -3.1874 -3.1874 4.3133 4.3133 4.7540 4.7540 5.8064 5.8064 6.3159 6.3159 6.5618 6.5618 6.8185 6.8185 8.6076 8.6076 9.1082 9.1082 9.7335 9.7335 10.2675 10.2675 k = 0.1429 0.2474 0.2906 ( 6514 PWs) bands (ev): -49.5177 -49.5177 -26.1977 -26.1977 -25.5595 -25.5595 -25.5227 -25.5227 -3.3064 -3.3064 -3.2215 -3.2215 4.3627 4.3627 4.8026 4.8026 5.8337 5.8337 6.3413 6.3413 6.6017 6.6017 6.8727 6.8727 8.6001 8.6001 9.1365 9.1365 9.7556 9.7556 10.2717 10.2717 k = 0.1369 0.2371 0.2906 ( 6522 PWs) bands (ev): -49.5178 -49.5178 -26.1973 -26.1973 -25.5586 -25.5586 -25.5227 -25.5227 -3.3505 -3.3505 -3.2549 -3.2549 4.4126 4.4126 4.8403 4.8403 5.8724 5.8724 6.3645 6.3645 6.6354 6.6354 6.9331 6.9331 8.5937 8.5937 9.1644 9.1644 9.7706 9.7706 10.2615 10.2615 k = 0.1310 0.2268 0.2906 ( 6522 PWs) bands (ev): -49.5179 -49.5179 -26.1968 -26.1968 -25.5577 -25.5577 -25.5227 -25.5227 -3.3935 -3.3935 -3.2874 -3.2874 4.4627 4.4627 4.8667 4.8667 5.9216 5.9216 6.3861 6.3861 6.6639 6.6639 6.9987 6.9987 8.5882 8.5882 9.1909 9.1909 9.7788 9.7788 10.2512 10.2512 k = 0.1250 0.2165 0.2906 ( 6518 PWs) bands (ev): -49.5180 -49.5180 -26.1963 -26.1963 -25.5568 -25.5568 -25.5227 -25.5227 -3.4353 -3.4353 -3.3190 -3.3190 4.5126 4.5126 4.8826 4.8826 5.9794 5.9794 6.4070 6.4070 6.6892 6.6892 7.0682 7.0682 8.5837 8.5837 9.2145 9.2145 9.7810 9.7810 10.2460 10.2460 k = 0.1190 0.2062 0.2906 ( 6522 PWs) bands (ev): -49.5181 -49.5181 -26.1959 -26.1959 -25.5559 -25.5559 -25.5227 -25.5227 -3.4759 -3.4759 -3.3497 -3.3497 4.5621 4.5621 4.8898 4.8898 6.0419 6.0419 6.4281 6.4281 6.7137 6.7137 7.1406 7.1406 8.5800 8.5800 9.2338 9.2338 9.7783 9.7783 10.2480 10.2480 k = 0.1131 0.1959 0.2906 ( 6522 PWs) bands (ev): -49.5182 -49.5182 -26.1954 -26.1954 -25.5551 -25.5551 -25.5227 -25.5227 -3.5151 -3.5151 -3.3793 -3.3793 4.6106 4.6106 4.8903 4.8903 6.1043 6.1043 6.4504 6.4504 6.7405 6.7405 7.2151 7.2151 8.5771 8.5771 9.2475 9.2475 9.7716 9.7716 10.2587 10.2587 k = 0.1071 0.1856 0.2906 ( 6530 PWs) bands (ev): -49.5183 -49.5183 -26.1950 -26.1950 -25.5542 -25.5542 -25.5227 -25.5227 -3.5528 -3.5528 -3.4078 -3.4078 4.6573 4.6573 4.8863 4.8863 6.1610 6.1610 6.4742 6.4742 6.7736 6.7736 7.2910 7.2910 8.5749 8.5749 9.2545 9.2545 9.7615 9.7615 10.2790 10.2790 k = 0.1012 0.1753 0.2906 ( 6522 PWs) bands (ev): -49.5184 -49.5184 -26.1946 -26.1946 -25.5534 -25.5534 -25.5227 -25.5227 -3.5890 -3.5890 -3.4350 -3.4350 4.7007 4.7007 4.8810 4.8810 6.2074 6.2074 6.4984 6.4984 6.8179 6.8179 7.3678 7.3678 8.5733 8.5733 9.2541 9.2541 9.7483 9.7483 10.3095 10.3095 k = 0.0952 0.1650 0.2906 ( 6534 PWs) bands (ev): -49.5185 -49.5185 -26.1942 -26.1942 -25.5526 -25.5526 -25.5227 -25.5227 -3.6234 -3.6234 -3.4611 -3.4611 4.7374 4.7374 4.8787 4.8787 6.2415 6.2415 6.5201 6.5201 6.8775 6.8775 7.4452 7.4452 8.5722 8.5722 9.2463 9.2463 9.7323 9.7323 10.3504 10.3504 k = 0.0893 0.1546 0.2906 ( 6532 PWs) bands (ev): -49.5186 -49.5186 -26.1938 -26.1938 -25.5519 -25.5519 -25.5227 -25.5227 -3.6562 -3.6562 -3.4858 -3.4858 4.7611 4.7611 4.8865 4.8865 6.2644 6.2644 6.5363 6.5363 6.9533 6.9533 7.5228 7.5228 8.5717 8.5717 9.2316 9.2316 9.7132 9.7132 10.4009 10.4009 k = 0.0833 0.1443 0.2906 ( 6536 PWs) bands (ev): -49.5187 -49.5187 -26.1934 -26.1934 -25.5512 -25.5512 -25.5226 -25.5226 -3.6871 -3.6871 -3.5091 -3.5091 4.7675 4.7675 4.9093 4.9093 6.2784 6.2784 6.5463 6.5463 7.0433 7.0433 7.6004 7.6004 8.5716 8.5716 9.2108 9.2108 9.6911 9.6911 10.4601 10.4601 k = 0.0774 0.1340 0.2906 ( 6534 PWs) bands (ev): -49.5187 -49.5187 -26.1931 -26.1931 -25.5505 -25.5505 -25.5226 -25.5226 -3.7162 -3.7162 -3.5310 -3.5310 4.7615 4.7615 4.9428 4.9428 6.2859 6.2859 6.5509 6.5509 7.1437 7.1437 7.6777 7.6777 8.5718 8.5718 9.1847 9.1847 9.6657 9.6657 10.5266 10.5266 k = 0.0714 0.1237 0.2906 ( 6538 PWs) bands (ev): -49.5188 -49.5188 -26.1927 -26.1927 -25.5498 -25.5498 -25.5226 -25.5226 -3.7434 -3.7434 -3.5515 -3.5515 4.7497 4.7497 4.9807 4.9807 6.2888 6.2888 6.5513 6.5513 7.2508 7.2508 7.7545 7.7545 8.5723 8.5723 9.1545 9.1545 9.6372 9.6372 10.5987 10.5987 k = 0.0655 0.1134 0.2906 ( 6542 PWs) bands (ev): -49.5189 -49.5189 -26.1924 -26.1924 -25.5492 -25.5492 -25.5226 -25.5226 -3.7685 -3.7685 -3.5705 -3.5705 4.7355 4.7355 5.0196 5.0196 6.2884 6.2884 6.5489 6.5489 7.3616 7.3616 7.8305 7.8305 8.5732 8.5732 9.1211 9.1211 9.6053 9.6053 10.6749 10.6749 k = 0.0595 0.1031 0.2906 ( 6542 PWs) bands (ev): -49.5189 -49.5189 -26.1922 -26.1922 -25.5487 -25.5487 -25.5226 -25.5226 -3.7917 -3.7917 -3.5880 -3.5880 4.7206 4.7206 5.0578 5.0578 6.2855 6.2855 6.5446 6.5446 7.4739 7.4739 7.9054 7.9054 8.5741 8.5741 9.0854 9.0854 9.5700 9.5700 10.7532 10.7532 k = 0.0536 0.0928 0.2906 ( 6534 PWs) bands (ev): -49.5190 -49.5190 -26.1919 -26.1919 -25.5482 -25.5482 -25.5226 -25.5226 -3.8127 -3.8127 -3.6038 -3.6038 4.7060 4.7060 5.0945 5.0945 6.2810 6.2810 6.5391 6.5391 7.5856 7.5856 7.9786 7.9786 8.5752 8.5752 9.0487 9.0487 9.5312 9.5312 10.8317 10.8317 k = 0.0476 0.0825 0.2906 ( 6542 PWs) bands (ev): -49.5191 -49.5191 -26.1917 -26.1917 -25.5477 -25.5477 -25.5226 -25.5226 -3.8317 -3.8317 -3.6181 -3.6181 4.6921 4.6921 5.1290 5.1290 6.2754 6.2754 6.5329 6.5329 7.6952 7.6952 8.0496 8.0496 8.5759 8.5759 9.0122 9.0122 9.4889 9.4889 10.9083 10.9083 k = 0.0417 0.0722 0.2906 ( 6554 PWs) bands (ev): -49.5191 -49.5191 -26.1914 -26.1914 -25.5473 -25.5473 -25.5226 -25.5226 -3.8485 -3.8485 -3.6308 -3.6308 4.6794 4.6794 5.1608 5.1608 6.2690 6.2690 6.5267 6.5267 7.8014 7.8014 8.1173 8.1173 8.5757 8.5757 8.9777 8.9777 9.4432 9.4432 10.9807 10.9807 k = 0.0357 0.0619 0.2906 ( 6558 PWs) bands (ev): -49.5191 -49.5191 -26.1913 -26.1913 -25.5469 -25.5469 -25.5225 -25.5225 -3.8631 -3.8631 -3.6418 -3.6418 4.6680 4.6680 5.1896 5.1896 6.2624 6.2624 6.5206 6.5206 7.9030 7.9030 8.1804 8.1804 8.5732 8.5732 8.9480 8.9480 9.3940 9.3940 11.0468 11.0468 k = 0.0298 0.0515 0.2906 ( 6558 PWs) bands (ev): -49.5192 -49.5192 -26.1911 -26.1911 -25.5466 -25.5466 -25.5225 -25.5225 -3.8755 -3.8755 -3.6512 -3.6512 4.6581 4.6581 5.2148 5.2148 6.2560 6.2560 6.5151 6.5151 7.9992 7.9992 8.2369 8.2369 8.5662 8.5662 8.9270 8.9270 9.3417 9.3417 11.1047 11.1047 k = 0.0238 0.0412 0.2906 ( 6556 PWs) bands (ev): -49.5192 -49.5192 -26.1910 -26.1910 -25.5464 -25.5464 -25.5225 -25.5225 -3.8857 -3.8857 -3.6589 -3.6589 4.6499 4.6499 5.2360 5.2360 6.2501 6.2501 6.5103 6.5103 8.0894 8.0894 8.2849 8.2849 8.5515 8.5515 8.9190 8.9190 9.2867 9.2867 11.1529 11.1529 k = 0.0179 0.0309 0.2906 ( 6566 PWs) bands (ev): -49.5192 -49.5192 -26.1909 -26.1909 -25.5462 -25.5462 -25.5225 -25.5225 -3.8936 -3.8936 -3.6649 -3.6649 4.6434 4.6434 5.2530 5.2530 6.2450 6.2450 6.5064 6.5064 8.1731 8.1731 8.3226 8.3226 8.5264 8.5264 8.9274 8.9274 9.2300 9.2300 11.1906 11.1906 k = 0.0119 0.0206 0.2906 ( 6566 PWs) bands (ev): -49.5192 -49.5192 -26.1908 -26.1908 -25.5460 -25.5460 -25.5225 -25.5225 -3.8993 -3.8993 -3.6691 -3.6691 4.6387 4.6387 5.2654 5.2654 6.2412 6.2412 6.5035 6.5035 8.2502 8.2502 8.3492 8.3492 8.4900 8.4900 8.9516 8.9516 9.1731 9.1731 11.2176 11.2176 k = 0.0060 0.0103 0.2906 ( 6566 PWs) bands (ev): -49.5192 -49.5192 -26.1908 -26.1908 -25.5460 -25.5460 -25.5225 -25.5225 -3.9027 -3.9027 -3.6717 -3.6717 4.6359 4.6359 5.2729 5.2729 6.2388 6.2388 6.5017 6.5017 8.3201 8.3201 8.3648 8.3648 8.4437 8.4437 8.9861 8.9861 9.1205 9.1205 11.2336 11.2336 k = 0.0000 0.0000 0.2906 ( 6562 PWs) bands (ev): -49.5193 -49.5193 -26.1907 -26.1907 -25.5459 -25.5459 -25.5225 -25.5225 -3.9038 -3.9038 -3.6726 -3.6726 4.6350 4.6350 5.2755 5.2755 6.2380 6.2380 6.5011 6.5011 8.3699 8.3699 8.3706 8.3706 8.4009 8.4009 9.0094 9.0094 9.0913 9.0913 11.2390 11.2390 k = 0.5000 0.2887 0.2906 ( 6552 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6670 -2.6670 -2.4040 -2.4040 2.9276 2.9276 3.3998 3.3998 5.5015 5.5015 6.0220 6.0220 6.8546 6.8546 7.5130 7.5130 7.7132 7.7132 9.1316 9.1316 9.4433 9.4433 10.5839 10.5839 k = 0.5000 0.2887 0.2790 ( 6546 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6669 -2.6669 -2.4041 -2.4041 2.9274 2.9274 3.4026 3.4026 5.5005 5.5005 6.0223 6.0223 6.8494 6.8494 7.5079 7.5079 7.7184 7.7184 9.1316 9.1316 9.4435 9.4435 10.5865 10.5865 k = 0.5000 0.2887 0.2674 ( 6550 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6668 -2.6668 -2.4047 -2.4047 2.9269 2.9269 3.4110 3.4110 5.4973 5.4973 6.0235 6.0235 6.8339 6.8339 7.4938 7.4938 7.7324 7.7324 9.1317 9.1317 9.4438 9.4438 10.5943 10.5943 k = 0.5000 0.2887 0.2558 ( 6560 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6665 -2.6665 -2.4057 -2.4057 2.9261 2.9261 3.4249 3.4249 5.4921 5.4921 6.0255 6.0255 6.8087 6.8087 7.4735 7.4735 7.7521 7.7521 9.1317 9.1317 9.4445 9.4445 10.6072 10.6072 k = 0.5000 0.2887 0.2441 ( 6556 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6661 -2.6661 -2.4070 -2.4070 2.9254 2.9254 3.4439 3.4439 5.4848 5.4848 6.0283 6.0283 6.7746 6.7746 7.4492 7.4492 7.7750 7.7750 9.1318 9.1318 9.4453 9.4453 10.6249 10.6249 k = 0.5000 0.2887 0.2325 ( 6556 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6656 -2.6656 -2.4086 -2.4086 2.9248 2.9248 3.4677 3.4677 5.4755 5.4755 6.0321 6.0321 6.7326 6.7326 7.4222 7.4222 7.7990 7.7990 9.1320 9.1320 9.4463 9.4463 10.6471 10.6471 k = 0.5000 0.2887 0.2209 ( 6554 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6651 -2.6651 -2.4106 -2.4106 2.9246 2.9246 3.4958 3.4958 5.4643 5.4643 6.0368 6.0368 6.6837 6.6837 7.3934 7.3934 7.8230 7.8230 9.1321 9.1321 9.4475 9.4475 10.6732 10.6732 k = 0.5000 0.2887 0.2093 ( 6546 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6644 -2.6644 -2.4129 -2.4129 2.9250 2.9250 3.5280 3.5280 5.4513 5.4513 6.0424 6.0424 6.6290 6.6290 7.3630 7.3630 7.8462 7.8462 9.1322 9.1322 9.4488 9.4488 10.7026 10.7026 k = 0.5000 0.2887 0.1976 ( 6556 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6636 -2.6636 -2.4155 -2.4155 2.9262 2.9262 3.5638 3.5638 5.4367 5.4367 6.0490 6.0490 6.5695 6.5695 7.3314 7.3314 7.8680 7.8680 9.1324 9.1324 9.4502 9.4502 10.7342 10.7342 k = 0.5000 0.2887 0.1860 ( 6546 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6628 -2.6628 -2.4182 -2.4182 2.9282 2.9282 3.6029 3.6029 5.4206 5.4206 6.0564 6.0564 6.5063 6.5063 7.2987 7.2987 7.8882 7.8882 9.1325 9.1325 9.4516 9.4516 10.7660 10.7660 k = 0.5000 0.2887 0.1744 ( 6530 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6619 -2.6619 -2.4212 -2.4212 2.9310 2.9310 3.6447 3.6447 5.4033 5.4033 6.0643 6.0643 6.4404 6.4404 7.2652 7.2652 7.9066 7.9066 9.1327 9.1327 9.4531 9.4531 10.7934 10.7934 k = 0.5000 0.2887 0.1628 ( 6544 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6609 -2.6609 -2.4243 -2.4243 2.9347 2.9347 3.6890 3.6890 5.3852 5.3852 6.0723 6.0723 6.3731 6.3731 7.2310 7.2310 7.9231 7.9231 9.1328 9.1328 9.4545 9.4545 10.8039 10.8039 k = 0.5000 0.2887 0.1511 ( 6548 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6598 -2.6598 -2.4276 -2.4276 2.9391 2.9391 3.7352 3.7352 5.3666 5.3666 6.0790 6.0790 6.3063 6.3063 7.1965 7.1965 7.9377 7.9377 9.1330 9.1330 9.4559 9.4559 10.7818 10.7818 k = 0.5000 0.2887 0.1395 ( 6550 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6587 -2.6587 -2.4309 -2.4309 2.9443 2.9443 3.7830 3.7830 5.3479 5.3479 6.0809 6.0809 6.2441 6.2441 7.1619 7.1619 7.9504 7.9504 9.1331 9.1331 9.4572 9.4572 10.7378 10.7378 k = 0.5000 0.2887 0.1279 ( 6560 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6576 -2.6576 -2.4342 -2.4342 2.9501 2.9501 3.8318 3.8318 5.3296 5.3296 6.0682 6.0682 6.1969 6.1969 7.1276 7.1276 7.9614 7.9614 9.1332 9.1332 9.4584 9.4584 10.6882 10.6882 k = 0.5000 0.2887 0.1163 ( 6556 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6565 -2.6565 -2.4375 -2.4375 2.9563 2.9563 3.8811 3.8811 5.3123 5.3123 6.0285 6.0285 6.1773 6.1773 7.0937 7.0937 7.9707 7.9707 9.1333 9.1333 9.4595 9.4595 10.6396 10.6396 k = 0.5000 0.2887 0.1046 ( 6560 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6553 -2.6553 -2.4406 -2.4406 2.9628 2.9628 3.9302 3.9302 5.2964 5.2964 5.9697 5.9697 6.1779 6.1779 7.0608 7.0608 7.9785 7.9785 9.1334 9.1334 9.4605 9.4605 10.5942 10.5942 k = 0.5000 0.2887 0.0930 ( 6560 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6542 -2.6542 -2.4437 -2.4437 2.9693 2.9693 3.9784 3.9784 5.2825 5.2825 5.9045 5.9045 6.1867 6.1867 7.0293 7.0293 7.9850 7.9850 9.1335 9.1335 9.4614 9.4614 10.5530 10.5530 k = 0.5000 0.2887 0.0814 ( 6562 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6532 -2.6532 -2.4465 -2.4465 2.9757 2.9757 4.0248 4.0248 5.2711 5.2711 5.8386 5.8386 6.1983 6.1983 6.9995 6.9995 7.9903 7.9903 9.1336 9.1336 9.4622 9.4622 10.5164 10.5164 k = 0.5000 0.2887 0.0698 ( 6550 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6522 -2.6522 -2.4491 -2.4491 2.9818 2.9818 4.0685 4.0685 5.2628 5.2628 5.7744 5.7744 6.2109 6.2109 6.9719 6.9719 7.9945 7.9945 9.1337 9.1337 9.4628 9.4628 10.4846 10.4846 k = 0.5000 0.2887 0.0581 ( 6556 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6513 -2.6513 -2.4513 -2.4513 2.9873 2.9873 4.1083 4.1083 5.2578 5.2578 5.7139 5.7139 6.2232 6.2232 6.9472 6.9472 7.9978 7.9978 9.1337 9.1337 9.4634 9.4634 10.4576 10.4576 k = 0.5000 0.2887 0.0465 ( 6556 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6505 -2.6505 -2.4533 -2.4533 2.9921 2.9921 4.1432 4.1432 5.2564 5.2564 5.6587 5.6587 6.2346 6.2346 6.9258 6.9258 8.0004 8.0004 9.1338 9.1338 9.4638 9.4638 10.4356 10.4356 k = 0.5000 0.2887 0.0349 ( 6552 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6499 -2.6499 -2.4548 -2.4548 2.9961 2.9961 4.1719 4.1719 5.2580 5.2580 5.6110 5.6110 6.2442 6.2442 6.9084 6.9084 8.0022 8.0022 9.1338 9.1338 9.4641 9.4641 10.4185 10.4185 k = 0.5000 0.2887 0.0233 ( 6552 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6495 -2.6495 -2.4559 -2.4559 2.9990 2.9990 4.1934 4.1934 5.2617 5.2617 5.5732 5.5732 6.2516 6.2516 6.8954 6.8954 8.0035 8.0035 9.1338 9.1338 9.4644 9.4644 10.4063 10.4063 k = 0.5000 0.2887 0.0116 ( 6560 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6492 -2.6492 -2.4566 -2.4566 3.0008 3.0008 4.2067 4.2067 5.2654 5.2654 5.5486 5.5486 6.2563 6.2563 6.8875 6.8875 8.0042 8.0042 9.1339 9.1339 9.4645 9.4645 10.3990 10.3990 k = 0.5000 0.2887-0.0000 ( 6572 PWs) bands (ev): -49.5162 -49.5162 -26.2052 -26.2052 -25.5739 -25.5739 -25.5218 -25.5218 -2.6491 -2.6491 -2.4568 -2.4568 3.0014 3.0014 4.2112 4.2112 5.2669 5.2669 5.5399 5.5399 6.2579 6.2579 6.8848 6.8848 8.0044 8.0044 9.1339 9.1339 9.4646 9.4646 10.3966 10.3966 k = 0.3333 0.5774-0.0000 ( 6576 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3680 -2.3680 -2.3650 -2.3650 3.6884 3.6884 4.0896 4.0896 4.4725 4.4725 5.4440 5.4440 5.6662 5.6662 5.8141 5.8141 8.9628 8.9628 9.3723 9.3723 9.4491 9.4491 10.0473 10.0473 k = 0.3333 0.5774 0.0116 ( 6576 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3679 -2.3679 -2.3649 -2.3649 3.6895 3.6895 4.0878 4.0878 4.4699 4.4699 5.4445 5.4445 5.6688 5.6688 5.8146 5.8146 8.9628 8.9628 9.3696 9.3696 9.4461 9.4461 10.0512 10.0512 k = 0.3333 0.5774 0.0233 ( 6570 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3678 -2.3678 -2.3648 -2.3648 3.6929 3.6929 4.0825 4.0825 4.4623 4.4623 5.4457 5.4457 5.6767 5.6767 5.8161 5.8161 8.9629 8.9629 9.3615 9.3615 9.4374 9.4374 10.0629 10.0629 k = 0.3333 0.5774 0.0349 ( 6570 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3677 -2.3677 -2.3647 -2.3647 3.6985 3.6985 4.0738 4.0738 4.4499 4.4499 5.4465 5.4465 5.6897 5.6897 5.8195 5.8195 8.9630 8.9630 9.3487 9.3487 9.4236 9.4236 10.0817 10.0817 k = 0.3333 0.5774 0.0465 ( 6564 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3674 -2.3674 -2.3644 -2.3644 3.7063 3.7063 4.0621 4.0621 4.4335 4.4335 5.4455 5.4455 5.7073 5.7073 5.8257 5.8257 8.9631 8.9631 9.3319 9.3319 9.4056 9.4056 10.1070 10.1070 k = 0.3333 0.5774 0.0581 ( 6576 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3672 -2.3672 -2.3642 -2.3642 3.7162 3.7162 4.0476 4.0476 4.4136 4.4136 5.4410 5.4410 5.7292 5.7292 5.8360 5.8360 8.9633 8.9633 9.3119 9.3119 9.3844 9.3844 10.1379 10.1379 k = 0.3333 0.5774 0.0698 ( 6576 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3668 -2.3668 -2.3638 -2.3638 3.7282 3.7282 4.0309 4.0309 4.3911 4.3911 5.4315 5.4315 5.7549 5.7549 5.8511 5.8511 8.9635 8.9635 9.2895 9.2895 9.3609 9.3609 10.1736 10.1736 k = 0.3333 0.5774 0.0814 ( 6573 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3664 -2.3664 -2.3634 -2.3634 3.7423 3.7423 4.0123 4.0123 4.3667 4.3667 5.4163 5.4163 5.7838 5.7838 5.8714 5.8714 8.9637 8.9637 9.2654 9.2654 9.3357 9.3357 10.2133 10.2133 k = 0.3333 0.5774 0.0930 ( 6573 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3660 -2.3660 -2.3630 -2.3630 3.7583 3.7583 3.9922 3.9922 4.3411 4.3411 5.3952 5.3952 5.8153 5.8153 5.8966 5.8966 8.9640 8.9640 9.2402 9.2402 9.3096 9.3096 10.2564 10.2564 k = 0.3333 0.5774 0.1046 ( 6573 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3655 -2.3655 -2.3625 -2.3625 3.7761 3.7761 3.9712 3.9712 4.3149 4.3149 5.3684 5.3684 5.8489 5.8489 5.9260 5.9260 8.9643 8.9643 9.2143 9.2143 9.2831 9.2831 10.3024 10.3024 k = 0.3333 0.5774 0.1163 ( 6558 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3651 -2.3651 -2.3620 -2.3620 3.7955 3.7955 3.9495 3.9495 4.2888 4.2888 5.3368 5.3368 5.8840 5.8840 5.9587 5.9587 8.9646 8.9646 9.1883 9.1883 9.2565 9.2565 10.3507 10.3509 k = 0.3333 0.5774 0.1279 ( 6546 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3645 -2.3645 -2.3614 -2.3614 3.8163 3.8163 3.9277 3.9277 4.2635 4.2635 5.3009 5.3009 5.9200 5.9200 5.9936 5.9936 8.9649 8.9649 9.1625 9.1625 9.2302 9.2302 10.4009 10.4010 k = 0.3333 0.5774 0.1395 ( 6558 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3640 -2.3640 -2.3609 -2.3609 3.8382 3.8382 3.9060 3.9060 4.2394 4.2394 5.2616 5.2616 5.9563 5.9563 6.0299 6.0299 8.9652 8.9652 9.1372 9.1372 9.2045 9.2045 10.4525 10.4525 k = 0.3333 0.5774 0.1511 ( 6570 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3635 -2.3635 -2.3604 -2.3604 3.8609 3.8609 3.8849 3.8849 4.2172 4.2172 5.2197 5.2197 5.9924 5.9924 6.0667 6.0667 8.9654 8.9654 9.1126 9.1126 9.1797 9.1797 10.5051 10.5051 k = 0.3333 0.5774 0.1628 ( 6570 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3630 -2.3630 -2.3598 -2.3598 3.8644 3.8644 3.8836 3.8836 4.1975 4.1975 5.1759 5.1759 6.0278 6.0278 6.1032 6.1032 8.9657 8.9657 9.0890 9.0890 9.1559 9.1559 10.5580 10.5580 k = 0.3333 0.5774 0.1744 ( 6564 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3624 -2.3624 -2.3593 -2.3593 3.8450 3.8450 3.9057 3.9057 4.1813 4.1813 5.1308 5.1308 6.0620 6.0620 6.1387 6.1387 8.9659 8.9659 9.0666 9.0666 9.1335 9.1335 10.6107 10.6107 k = 0.3333 0.5774 0.1860 ( 6570 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3619 -2.3619 -2.3588 -2.3588 3.8268 3.8268 3.9260 3.9260 4.1695 4.1695 5.0852 5.0852 6.0945 6.0945 6.1727 6.1727 8.9661 8.9661 9.0456 9.0456 9.1125 9.1125 10.6627 10.6627 k = 0.3333 0.5774 0.1976 ( 6555 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3615 -2.3615 -2.3583 -2.3583 3.8101 3.8101 3.9432 3.9432 4.1632 4.1632 5.0397 5.0397 6.1249 6.1249 6.2046 6.2046 8.9662 8.9662 9.0262 9.0262 9.0932 9.0932 10.7131 10.7131 k = 0.3333 0.5774 0.2093 ( 6555 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3610 -2.3610 -2.3579 -2.3579 3.7950 3.7950 3.9562 3.9562 4.1633 4.1633 4.9952 4.9952 6.1528 6.1528 6.2339 6.2339 8.9662 8.9662 9.0086 9.0086 9.0758 9.0758 10.7611 10.7611 k = 0.3333 0.5774 0.2209 ( 6567 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3607 -2.3607 -2.3575 -2.3575 3.7816 3.7816 3.9643 3.9643 4.1699 4.1699 4.9524 4.9524 6.1778 6.1778 6.2602 6.2602 8.9662 8.9662 8.9930 8.9930 9.0604 9.0604 10.8059 10.8059 k = 0.3333 0.5774 0.2325 ( 6561 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3603 -2.3603 -2.3571 -2.3571 3.7700 3.7700 3.9681 3.9681 4.1818 4.1818 4.9124 4.9124 6.1996 6.1996 6.2831 6.2831 8.9661 8.9661 8.9795 8.9795 9.0472 9.0472 10.8463 10.8463 k = 0.3333 0.5774 0.2441 ( 6561 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3600 -2.3600 -2.3568 -2.3568 3.7605 3.7605 3.9690 3.9690 4.1968 4.1968 4.8765 4.8765 6.2178 6.2178 6.3023 6.3023 8.9659 8.9659 8.9682 8.9682 9.0363 9.0363 10.8813 10.8814 k = 0.3333 0.5774 0.2558 ( 6555 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3598 -2.3598 -2.3566 -2.3566 3.7530 3.7530 3.9682 3.9682 4.2122 4.2122 4.8460 4.8460 6.2323 6.2323 6.3176 6.3176 8.9593 8.9593 8.9656 8.9656 9.0278 9.0278 10.9100 10.9100 k = 0.3333 0.5774 0.2674 ( 6558 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3596 -2.3596 -2.3564 -2.3564 3.7476 3.7476 3.9670 3.9670 4.2255 4.2255 4.8224 4.8224 6.2428 6.2428 6.3286 6.3286 8.9529 8.9529 8.9654 8.9654 9.0218 9.0218 10.9312 10.9312 k = 0.3333 0.5774 0.2790 ( 6567 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3595 -2.3595 -2.3563 -2.3563 3.7443 3.7443 3.9660 3.9660 4.2345 4.2345 4.8075 4.8075 6.2491 6.2491 6.3353 6.3353 8.9490 8.9490 8.9652 8.9652 9.0181 9.0181 10.9443 10.9443 k = 0.3333 0.5774 0.2906 ( 6552 PWs) bands (ev): -49.5158 -49.5158 -26.2068 -26.2068 -25.5759 -25.5759 -25.5236 -25.5236 -2.3595 -2.3595 -2.3563 -2.3563 3.7432 3.7432 3.9656 3.9656 4.2377 4.2377 4.8024 4.8024 6.2512 6.2512 6.3375 6.3375 8.9477 8.9477 8.9651 8.9651 9.0169 9.0169 10.9488 10.9488 Writing output data file TiTe2.save init_run : 0.33s CPU 0.45s WALL ( 1 calls) electrons : 133.90s CPU 137.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 133.90s CPU 137.88s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 350 calls) cegterg : 125.77s CPU 127.40s WALL ( 495 calls) Called by sum_band: Called by *egterg: h_psi : 81.95s CPU 83.37s WALL ( 8382 calls) s_psi : 2.98s CPU 2.98s WALL ( 8382 calls) g_psi : 0.30s CPU 0.35s WALL ( 7537 calls) cdiaghg : 30.23s CPU 30.65s WALL ( 7887 calls) cegterg:over : 5.33s CPU 5.34s WALL ( 7537 calls) cegterg:upda : 5.00s CPU 5.04s WALL ( 7537 calls) cegterg:last : 3.21s CPU 3.32s WALL ( 1830 calls) cdiaghg:chol : 1.83s CPU 1.80s WALL ( 7887 calls) cdiaghg:inve : 0.71s CPU 0.82s WALL ( 7887 calls) cdiaghg:para : 1.83s CPU 1.76s WALL ( 15774 calls) Called by h_psi: h_psi:vloc : 73.06s CPU 74.37s WALL ( 8382 calls) h_psi:vnl : 8.61s CPU 8.72s WALL ( 8382 calls) add_vuspsi : 4.41s CPU 4.49s WALL ( 8382 calls) General routines calbec : 4.18s CPU 4.21s WALL ( 8382 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 69.25s CPU 70.47s WALL ( 698484 calls) davcio : 0.22s CPU 0.22s WALL ( 700 calls) Parallel routines fft_scatter : 22.68s CPU 23.09s WALL ( 698499 calls) PWSCF : 2m28.17s CPU 3m28.69s WALL This run was terminated on: 21:20:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=