Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:11: 9 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./SnS2.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 22 17 5 838 560 91 Max 23 18 6 849 572 98 Sum 817 637 187 30355 20377 3393 bravais-lattice index = 14 lattice parameter (alat) = 6.8767 a.u. unit-cell volume = 454.1312 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.876713 celldm(2)= 1.000000 celldm(3)= 1.612531 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 1.612531 ) 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 0.620143 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Sn 14.00 118.71000 Sn( 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= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0027473 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0027473 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0027473 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0027473 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0027473 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0027473 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0027473 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0027473 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0027473 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0027473 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0027473 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0027473 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0027473 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0027473 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0027473 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0027473 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0027473 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0027473 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0027473 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0027473 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0027473 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0027473 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0027473 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0027473 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0027473 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0027473 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0027473 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0027473 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0027473 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0027473 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0027473 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0027473 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0027473 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0027473 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0027473 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0027473 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0027473 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0027473 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0027473 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0027473 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0027473 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0027473 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0027473 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0027473 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0027473 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0027473 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0027473 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0027473 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0027473 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0027473 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0027473 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0027473 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0027473 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0027473 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0027473 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0027473 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0027473 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0027473 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0027473 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0027473 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0027473 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0027473 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 83) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0027473 k( 86) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0027473 k( 87) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0027473 k( 88) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0027473 k( 89) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0027473 k( 90) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0027473 k( 91) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0027473 k( 92) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0027473 k( 93) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0027473 k( 94) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0027473 k( 95) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0027473 k( 96) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0027473 k( 97) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0027473 k( 98) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0027473 k( 99) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0027473 k( 100) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0027473 k( 101) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0027473 k( 102) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0027473 k( 103) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0027473 k( 104) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0027473 k( 105) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0027473 k( 106) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0027473 k( 107) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0027473 k( 108) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0027473 k( 109) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0027473 k( 110) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0027473 k( 111) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027473 k( 112) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0027473 k( 113) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0027473 k( 114) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0027473 k( 115) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0027473 k( 116) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0027473 k( 117) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0027473 k( 118) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0027473 k( 119) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0027473 k( 120) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0027473 k( 121) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0027473 k( 122) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0027473 k( 123) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0027473 k( 124) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0027473 k( 125) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0027473 k( 126) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0027473 k( 128) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0027473 k( 129) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0027473 k( 130) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0027473 k( 131) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0027473 k( 132) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0027473 k( 133) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0027473 k( 134) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0027473 k( 137) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0027473 k( 139) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 142) = ( 0.0000000 0.0000000 0.0114841), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0229683), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0344524), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0459365), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0574207), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0689048), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0803889), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.0918731), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.1033572), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.1148413), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.1263255), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.1378096), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.1492937), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.1607779), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.1722620), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.1837461), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.1952302), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.2067144), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.2181985), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.2296826), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.2411668), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.2526509), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.2641350), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.2756192), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.2871033), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.2985874), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.3100716), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.3100716), wk = 0.0027473 k( 170) = ( 0.0100000 0.0057735 0.3100716), wk = 0.0027473 k( 171) = ( 0.0200000 0.0115470 0.3100716), wk = 0.0027473 k( 172) = ( 0.0300000 0.0173205 0.3100716), wk = 0.0027473 k( 173) = ( 0.0400000 0.0230940 0.3100716), wk = 0.0027473 k( 174) = ( 0.0500000 0.0288675 0.3100716), wk = 0.0027473 k( 175) = ( 0.0600000 0.0346410 0.3100716), wk = 0.0027473 k( 176) = ( 0.0700000 0.0404145 0.3100716), wk = 0.0027473 k( 177) = ( 0.0800000 0.0461880 0.3100716), wk = 0.0027473 k( 178) = ( 0.0900000 0.0519615 0.3100716), wk = 0.0027473 k( 179) = ( 0.1000000 0.0577350 0.3100716), wk = 0.0027473 k( 180) = ( 0.1100000 0.0635085 0.3100716), wk = 0.0027473 k( 181) = ( 0.1200000 0.0692820 0.3100716), wk = 0.0027473 k( 182) = ( 0.1300000 0.0750555 0.3100716), wk = 0.0027473 k( 183) = ( 0.1400000 0.0808290 0.3100716), wk = 0.0027473 k( 184) = ( 0.1500000 0.0866025 0.3100716), wk = 0.0027473 k( 185) = ( 0.1600000 0.0923760 0.3100716), wk = 0.0027473 k( 186) = ( 0.1700000 0.0981495 0.3100716), wk = 0.0027473 k( 187) = ( 0.1800000 0.1039230 0.3100716), wk = 0.0027473 k( 188) = ( 0.1900000 0.1096966 0.3100716), wk = 0.0027473 k( 189) = ( 0.2000000 0.1154701 0.3100716), wk = 0.0027473 k( 190) = ( 0.2100000 0.1212436 0.3100716), wk = 0.0027473 k( 191) = ( 0.2200000 0.1270171 0.3100716), wk = 0.0027473 k( 192) = ( 0.2300000 0.1327906 0.3100716), wk = 0.0027473 k( 193) = ( 0.2400000 0.1385641 0.3100716), wk = 0.0027473 k( 194) = ( 0.2500000 0.1443376 0.3100716), wk = 0.0027473 k( 195) = ( 0.2600000 0.1501111 0.3100716), wk = 0.0027473 k( 196) = ( 0.2700000 0.1558846 0.3100716), wk = 0.0027473 k( 197) = ( 0.2800000 0.1616581 0.3100716), wk = 0.0027473 k( 198) = ( 0.2900000 0.1674316 0.3100716), wk = 0.0027473 k( 199) = ( 0.3000000 0.1732051 0.3100716), wk = 0.0027473 k( 200) = ( 0.3100000 0.1789786 0.3100716), wk = 0.0027473 k( 201) = ( 0.3200000 0.1847521 0.3100716), wk = 0.0027473 k( 202) = ( 0.3300000 0.1905256 0.3100716), wk = 0.0027473 k( 203) = ( 0.3400000 0.1962991 0.3100716), wk = 0.0027473 k( 204) = ( 0.3500000 0.2020726 0.3100716), wk = 0.0027473 k( 205) = ( 0.3600000 0.2078461 0.3100716), wk = 0.0027473 k( 206) = ( 0.3700000 0.2136196 0.3100716), wk = 0.0027473 k( 207) = ( 0.3800000 0.2193931 0.3100716), wk = 0.0027473 k( 208) = ( 0.3900000 0.2251666 0.3100716), wk = 0.0027473 k( 209) = ( 0.4000000 0.2309401 0.3100716), wk = 0.0027473 k( 210) = ( 0.4100000 0.2367136 0.3100716), wk = 0.0027473 k( 211) = ( 0.4200000 0.2424871 0.3100716), wk = 0.0027473 k( 212) = ( 0.4300000 0.2482606 0.3100716), wk = 0.0027473 k( 213) = ( 0.4400000 0.2540341 0.3100716), wk = 0.0027473 k( 214) = ( 0.4500000 0.2598076 0.3100716), wk = 0.0027473 k( 215) = ( 0.4600000 0.2655811 0.3100716), wk = 0.0027473 k( 216) = ( 0.4700000 0.2713546 0.3100716), wk = 0.0027473 k( 217) = ( 0.4800000 0.2771281 0.3100716), wk = 0.0027473 k( 218) = ( 0.4900000 0.2829016 0.3100716), wk = 0.0027473 k( 219) = ( 0.5000000 0.2886751 0.3100716), wk = 0.0027473 k( 220) = ( 0.5000000 0.2886751 0.3100716), wk = 0.0027473 k( 221) = ( 0.4942529 0.2986294 0.3100716), wk = 0.0027473 k( 222) = ( 0.4885058 0.3085838 0.3100716), wk = 0.0027473 k( 223) = ( 0.4827586 0.3185381 0.3100716), wk = 0.0027473 k( 224) = ( 0.4770115 0.3284924 0.3100716), wk = 0.0027473 k( 225) = ( 0.4712644 0.3384467 0.3100716), wk = 0.0027473 k( 226) = ( 0.4655172 0.3484010 0.3100716), wk = 0.0027473 k( 227) = ( 0.4597701 0.3583553 0.3100716), wk = 0.0027473 k( 228) = ( 0.4540230 0.3683097 0.3100716), wk = 0.0027473 k( 229) = ( 0.4482759 0.3782640 0.3100716), wk = 0.0027473 k( 230) = ( 0.4425287 0.3882183 0.3100716), wk = 0.0027473 k( 231) = ( 0.4367816 0.3981726 0.3100716), wk = 0.0027473 k( 232) = ( 0.4310345 0.4081269 0.3100716), wk = 0.0027473 k( 233) = ( 0.4252874 0.4180812 0.3100716), wk = 0.0027473 k( 234) = ( 0.4195402 0.4280355 0.3100716), wk = 0.0027473 k( 235) = ( 0.4137931 0.4379899 0.3100716), wk = 0.0027473 k( 236) = ( 0.4080460 0.4479442 0.3100716), wk = 0.0027473 k( 237) = ( 0.4022988 0.4578985 0.3100716), wk = 0.0027473 k( 238) = ( 0.3965517 0.4678528 0.3100716), wk = 0.0027473 k( 239) = ( 0.3908046 0.4778071 0.3100716), wk = 0.0027473 k( 240) = ( 0.3850575 0.4877614 0.3100716), wk = 0.0027473 k( 241) = ( 0.3793103 0.4977157 0.3100716), wk = 0.0027473 k( 242) = ( 0.3735632 0.5076701 0.3100716), wk = 0.0027473 k( 243) = ( 0.3678161 0.5176244 0.3100716), wk = 0.0027473 k( 244) = ( 0.3620690 0.5275787 0.3100716), wk = 0.0027473 k( 245) = ( 0.3563218 0.5375330 0.3100716), wk = 0.0027473 k( 246) = ( 0.3505747 0.5474873 0.3100716), wk = 0.0027473 k( 247) = ( 0.3448276 0.5574416 0.3100716), wk = 0.0027473 k( 248) = ( 0.3390805 0.5673960 0.3100716), wk = 0.0027473 k( 249) = ( 0.3333333 0.5773503 0.3100716), wk = 0.0027473 k( 250) = ( 0.3333333 0.5773503 0.3100716), wk = 0.0027473 k( 251) = ( 0.3275862 0.5673960 0.3100716), wk = 0.0027473 k( 252) = ( 0.3218391 0.5574416 0.3100716), wk = 0.0027473 k( 253) = ( 0.3160920 0.5474873 0.3100716), wk = 0.0027473 k( 254) = ( 0.3103448 0.5375330 0.3100716), wk = 0.0027473 k( 255) = ( 0.3045977 0.5275787 0.3100716), wk = 0.0027473 k( 256) = ( 0.2988506 0.5176244 0.3100716), wk = 0.0027473 k( 257) = ( 0.2931034 0.5076701 0.3100716), wk = 0.0027473 k( 258) = ( 0.2873563 0.4977157 0.3100716), wk = 0.0027473 k( 259) = ( 0.2816092 0.4877614 0.3100716), wk = 0.0027473 k( 260) = ( 0.2758621 0.4778071 0.3100716), wk = 0.0027473 k( 261) = ( 0.2701149 0.4678528 0.3100716), wk = 0.0027473 k( 262) = ( 0.2643678 0.4578985 0.3100716), wk = 0.0027473 k( 263) = ( 0.2586207 0.4479442 0.3100716), wk = 0.0027473 k( 264) = ( 0.2528736 0.4379899 0.3100716), wk = 0.0027473 k( 265) = ( 0.2471264 0.4280355 0.3100716), wk = 0.0027473 k( 266) = ( 0.2413793 0.4180812 0.3100716), wk = 0.0027473 k( 267) = ( 0.2356322 0.4081269 0.3100716), wk = 0.0027473 k( 268) = ( 0.2298851 0.3981726 0.3100716), wk = 0.0027473 k( 269) = ( 0.2241379 0.3882183 0.3100716), wk = 0.0027473 k( 270) = ( 0.2183908 0.3782640 0.3100716), wk = 0.0027473 k( 271) = ( 0.2126437 0.3683097 0.3100716), wk = 0.0027473 k( 272) = ( 0.2068966 0.3583553 0.3100716), wk = 0.0027473 k( 273) = ( 0.2011494 0.3484010 0.3100716), wk = 0.0027473 k( 274) = ( 0.1954023 0.3384467 0.3100716), wk = 0.0027473 k( 275) = ( 0.1896552 0.3284924 0.3100716), wk = 0.0027473 k( 276) = ( 0.1839080 0.3185381 0.3100716), wk = 0.0027473 k( 277) = ( 0.1781609 0.3085838 0.3100716), wk = 0.0027473 k( 278) = ( 0.1724138 0.2986294 0.3100716), wk = 0.0027473 k( 279) = ( 0.1666667 0.2886751 0.3100716), wk = 0.0027473 k( 280) = ( 0.1609195 0.2787208 0.3100716), wk = 0.0027473 k( 281) = ( 0.1551724 0.2687665 0.3100716), wk = 0.0027473 k( 282) = ( 0.1494253 0.2588122 0.3100716), wk = 0.0027473 k( 283) = ( 0.1436782 0.2488579 0.3100716), wk = 0.0027473 k( 284) = ( 0.1379310 0.2389036 0.3100716), wk = 0.0027473 k( 285) = ( 0.1321839 0.2289492 0.3100716), wk = 0.0027473 k( 286) = ( 0.1264368 0.2189949 0.3100716), wk = 0.0027473 k( 287) = ( 0.1206897 0.2090406 0.3100716), wk = 0.0027473 k( 288) = ( 0.1149425 0.1990863 0.3100716), wk = 0.0027473 k( 289) = ( 0.1091954 0.1891320 0.3100716), wk = 0.0027473 k( 290) = ( 0.1034483 0.1791777 0.3100716), wk = 0.0027473 k( 291) = ( 0.0977012 0.1692234 0.3100716), wk = 0.0027473 k( 292) = ( 0.0919540 0.1592690 0.3100716), wk = 0.0027473 k( 293) = ( 0.0862069 0.1493147 0.3100716), wk = 0.0027473 k( 294) = ( 0.0804598 0.1393604 0.3100716), wk = 0.0027473 k( 295) = ( 0.0747126 0.1294061 0.3100716), wk = 0.0027473 k( 296) = ( 0.0689655 0.1194518 0.3100716), wk = 0.0027473 k( 297) = ( 0.0632184 0.1094975 0.3100716), wk = 0.0027473 k( 298) = ( 0.0574713 0.0995431 0.3100716), wk = 0.0027473 k( 299) = ( 0.0517241 0.0895888 0.3100716), wk = 0.0027473 k( 300) = ( 0.0459770 0.0796345 0.3100716), wk = 0.0027473 k( 301) = ( 0.0402299 0.0696802 0.3100716), wk = 0.0027473 k( 302) = ( 0.0344828 0.0597259 0.3100716), wk = 0.0027473 k( 303) = ( 0.0287356 0.0497716 0.3100716), wk = 0.0027473 k( 304) = ( 0.0229885 0.0398173 0.3100716), wk = 0.0027473 k( 305) = ( 0.0172414 0.0298629 0.3100716), wk = 0.0027473 k( 306) = ( 0.0114942 0.0199086 0.3100716), wk = 0.0027473 k( 307) = ( 0.0057471 0.0099543 0.3100716), wk = 0.0027473 k( 308) = ( 0.0000000 0.0000000 0.3100716), wk = 0.0027473 k( 309) = ( 0.5000000 0.2886751 0.3100716), wk = 0.0027473 k( 310) = ( 0.5000000 0.2886751 0.2985874), wk = 0.0027473 k( 311) = ( 0.5000000 0.2886751 0.2871033), wk = 0.0027473 k( 312) = ( 0.5000000 0.2886751 0.2756192), wk = 0.0027473 k( 313) = ( 0.5000000 0.2886751 0.2641350), wk = 0.0027473 k( 314) = ( 0.5000000 0.2886751 0.2526509), wk = 0.0027473 k( 315) = ( 0.5000000 0.2886751 0.2411668), wk = 0.0027473 k( 316) = ( 0.5000000 0.2886751 0.2296826), wk = 0.0027473 k( 317) = ( 0.5000000 0.2886751 0.2181985), wk = 0.0027473 k( 318) = ( 0.5000000 0.2886751 0.2067144), wk = 0.0027473 k( 319) = ( 0.5000000 0.2886751 0.1952302), wk = 0.0027473 k( 320) = ( 0.5000000 0.2886751 0.1837461), wk = 0.0027473 k( 321) = ( 0.5000000 0.2886751 0.1722620), wk = 0.0027473 k( 322) = ( 0.5000000 0.2886751 0.1607779), wk = 0.0027473 k( 323) = ( 0.5000000 0.2886751 0.1492937), wk = 0.0027473 k( 324) = ( 0.5000000 0.2886751 0.1378096), wk = 0.0027473 k( 325) = ( 0.5000000 0.2886751 0.1263255), wk = 0.0027473 k( 326) = ( 0.5000000 0.2886751 0.1148413), wk = 0.0027473 k( 327) = ( 0.5000000 0.2886751 0.1033572), wk = 0.0027473 k( 328) = ( 0.5000000 0.2886751 0.0918731), wk = 0.0027473 k( 329) = ( 0.5000000 0.2886751 0.0803889), wk = 0.0027473 k( 330) = ( 0.5000000 0.2886751 0.0689048), wk = 0.0027473 k( 331) = ( 0.5000000 0.2886751 0.0574207), wk = 0.0027473 k( 332) = ( 0.5000000 0.2886751 0.0459365), wk = 0.0027473 k( 333) = ( 0.5000000 0.2886751 0.0344524), wk = 0.0027473 k( 334) = ( 0.5000000 0.2886751 0.0229683), wk = 0.0027473 k( 335) = ( 0.5000000 0.2886751 0.0114841), wk = 0.0027473 k( 336) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 337) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 338) = ( 0.3333333 0.5773503 0.0114841), wk = 0.0027473 k( 339) = ( 0.3333333 0.5773503 0.0229683), wk = 0.0027473 k( 340) = ( 0.3333333 0.5773503 0.0344524), wk = 0.0027473 k( 341) = ( 0.3333333 0.5773503 0.0459365), wk = 0.0027473 k( 342) = ( 0.3333333 0.5773503 0.0574207), wk = 0.0027473 k( 343) = ( 0.3333333 0.5773503 0.0689048), wk = 0.0027473 k( 344) = ( 0.3333333 0.5773503 0.0803889), wk = 0.0027473 k( 345) = ( 0.3333333 0.5773503 0.0918731), wk = 0.0027473 k( 346) = ( 0.3333333 0.5773503 0.1033572), wk = 0.0027473 k( 347) = ( 0.3333333 0.5773503 0.1148413), wk = 0.0027473 k( 348) = ( 0.3333333 0.5773503 0.1263255), wk = 0.0027473 k( 349) = ( 0.3333333 0.5773503 0.1378096), wk = 0.0027473 k( 350) = ( 0.3333333 0.5773503 0.1492937), wk = 0.0027473 k( 351) = ( 0.3333333 0.5773503 0.1607779), wk = 0.0027473 k( 352) = ( 0.3333333 0.5773503 0.1722620), wk = 0.0027473 k( 353) = ( 0.3333333 0.5773503 0.1837461), wk = 0.0027473 k( 354) = ( 0.3333333 0.5773503 0.1952302), wk = 0.0027473 k( 355) = ( 0.3333333 0.5773503 0.2067144), wk = 0.0027473 k( 356) = ( 0.3333333 0.5773503 0.2181985), wk = 0.0027473 k( 357) = ( 0.3333333 0.5773503 0.2296826), wk = 0.0027473 k( 358) = ( 0.3333333 0.5773503 0.2411668), wk = 0.0027473 k( 359) = ( 0.3333333 0.5773503 0.2526509), wk = 0.0027473 k( 360) = ( 0.3333333 0.5773503 0.2641350), wk = 0.0027473 k( 361) = ( 0.3333333 0.5773503 0.2756192), wk = 0.0027473 k( 362) = ( 0.3333333 0.5773503 0.2871033), wk = 0.0027473 k( 363) = ( 0.3333333 0.5773503 0.2985874), wk = 0.0027473 k( 364) = ( 0.3333333 0.5773503 0.3100716), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0100000 0.0000000 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0200000 0.0000000 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0300000 0.0000000 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0400000 0.0000000 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0600000 0.0000000 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0700000 0.0000000 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0800000 0.0000000 -0.0000000), wk = 0.0027473 k( 10) = ( 0.0900000 0.0000000 -0.0000000), wk = 0.0027473 k( 11) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0027473 k( 12) = ( 0.1100000 0.0000000 0.0000000), wk = 0.0027473 k( 13) = ( 0.1200000 0.0000000 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1300000 0.0000000 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1400000 0.0000000 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1600000 0.0000000 -0.0000000), wk = 0.0027473 k( 18) = ( 0.1700000 0.0000000 0.0000000), wk = 0.0027473 k( 19) = ( 0.1800000 0.0000000 -0.0000000), wk = 0.0027473 k( 20) = ( 0.1900000 0.0000000 0.0000000), wk = 0.0027473 k( 21) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0027473 k( 22) = ( 0.2100000 0.0000000 0.0000000), wk = 0.0027473 k( 23) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0027473 k( 24) = ( 0.2300000 0.0000000 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2400000 0.0000000 -0.0000000), wk = 0.0027473 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0027473 k( 27) = ( 0.2600000 0.0000000 -0.0000000), wk = 0.0027473 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0027473 k( 29) = ( 0.2800000 0.0000000 -0.0000000), wk = 0.0027473 k( 30) = ( 0.2900000 -0.0000000 0.0000000), wk = 0.0027473 k( 31) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0027473 k( 32) = ( 0.3100000 0.0000000 -0.0000000), wk = 0.0027473 k( 33) = ( 0.3200000 0.0000000 -0.0000000), wk = 0.0027473 k( 34) = ( 0.3300000 0.0000000 -0.0000000), wk = 0.0027473 k( 35) = ( 0.3400000 0.0000000 0.0000000), wk = 0.0027473 k( 36) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0027473 k( 37) = ( 0.3600000 0.0000000 -0.0000000), wk = 0.0027473 k( 38) = ( 0.3700000 0.0000000 -0.0000000), wk = 0.0027473 k( 39) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0027473 k( 40) = ( 0.3900000 0.0000000 -0.0000000), wk = 0.0027473 k( 41) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0027473 k( 42) = ( 0.4100000 0.0000000 -0.0000000), wk = 0.0027473 k( 43) = ( 0.4200000 0.0000000 0.0000000), wk = 0.0027473 k( 44) = ( 0.4300000 0.0000000 -0.0000000), wk = 0.0027473 k( 45) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0027473 k( 46) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0027473 k( 47) = ( 0.4600000 0.0000000 -0.0000000), wk = 0.0027473 k( 48) = ( 0.4700000 0.0000000 -0.0000000), wk = 0.0027473 k( 49) = ( 0.4800000 0.0000000 -0.0000000), wk = 0.0027473 k( 50) = ( 0.4900000 0.0000000 0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 53) = ( 0.4942529 0.0114943 -0.0000000), wk = 0.0027473 k( 54) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0027473 k( 55) = ( 0.4827586 0.0344828 -0.0000000), wk = 0.0027473 k( 56) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0027473 k( 57) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0027473 k( 58) = ( 0.4655172 0.0689655 -0.0000000), wk = 0.0027473 k( 59) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0027473 k( 60) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0027473 k( 61) = ( 0.4482759 0.1034483 0.0000000), wk = 0.0027473 k( 62) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0027473 k( 63) = ( 0.4367816 0.1264368 -0.0000000), wk = 0.0027473 k( 64) = ( 0.4310345 0.1379310 0.0000000), wk = 0.0027473 k( 65) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0027473 k( 66) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0027473 k( 67) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0027473 k( 68) = ( 0.4080460 0.1839080 -0.0000000), wk = 0.0027473 k( 69) = ( 0.4022988 0.1954023 -0.0000000), wk = 0.0027473 k( 70) = ( 0.3965517 0.2068965 -0.0000000), wk = 0.0027473 k( 71) = ( 0.3908046 0.2183908 -0.0000000), wk = 0.0027473 k( 72) = ( 0.3850575 0.2298851 -0.0000000), wk = 0.0027473 k( 73) = ( 0.3793103 0.2413793 0.0000000), wk = 0.0027473 k( 74) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0027473 k( 75) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0027473 k( 76) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0027473 k( 77) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0027473 k( 78) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3448276 0.3103448 -0.0000000), wk = 0.0027473 k( 80) = ( 0.3390805 0.3218391 0.0000000), wk = 0.0027473 k( 81) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027473 k( 82) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027473 k( 83) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3218391 0.3218391 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3160920 0.3160920 0.0000000), wk = 0.0027473 k( 86) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0027473 k( 87) = ( 0.3045977 0.3045977 -0.0000000), wk = 0.0027473 k( 88) = ( 0.2988506 0.2988506 -0.0000000), wk = 0.0027473 k( 89) = ( 0.2931034 0.2931035 -0.0000000), wk = 0.0027473 k( 90) = ( 0.2873563 0.2873563 -0.0000000), wk = 0.0027473 k( 91) = ( 0.2816092 0.2816092 0.0000000), wk = 0.0027473 k( 92) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0027473 k( 93) = ( 0.2701149 0.2701149 -0.0000000), wk = 0.0027473 k( 94) = ( 0.2643678 0.2643678 -0.0000000), wk = 0.0027473 k( 95) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0027473 k( 96) = ( 0.2528736 0.2528736 0.0000000), wk = 0.0027473 k( 97) = ( 0.2471264 0.2471264 0.0000000), wk = 0.0027473 k( 98) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0027473 k( 99) = ( 0.2356322 0.2356322 -0.0000000), wk = 0.0027473 k( 100) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0027473 k( 101) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0027473 k( 102) = ( 0.2183908 0.2183908 -0.0000000), wk = 0.0027473 k( 103) = ( 0.2126437 0.2126437 -0.0000000), wk = 0.0027473 k( 104) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0027473 k( 105) = ( 0.2011494 0.2011494 -0.0000000), wk = 0.0027473 k( 106) = ( 0.1954023 0.1954023 -0.0000000), wk = 0.0027473 k( 107) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0027473 k( 108) = ( 0.1839080 0.1839080 -0.0000000), wk = 0.0027473 k( 109) = ( 0.1781609 0.1781609 0.0000000), wk = 0.0027473 k( 110) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0027473 k( 111) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027473 k( 112) = ( 0.1609195 0.1609195 -0.0000000), wk = 0.0027473 k( 113) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0027473 k( 114) = ( 0.1494253 0.1494253 0.0000000), wk = 0.0027473 k( 115) = ( 0.1436782 0.1436782 -0.0000000), wk = 0.0027473 k( 116) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0027473 k( 117) = ( 0.1321839 0.1321839 -0.0000000), wk = 0.0027473 k( 118) = ( 0.1264368 0.1264368 0.0000000), wk = 0.0027473 k( 119) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0027473 k( 120) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0027473 k( 121) = ( 0.1091954 0.1091954 -0.0000000), wk = 0.0027473 k( 122) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0027473 k( 123) = ( 0.0977012 0.0977012 -0.0000000), wk = 0.0027473 k( 124) = ( 0.0919540 0.0919540 -0.0000000), wk = 0.0027473 k( 125) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0027473 k( 126) = ( 0.0804598 0.0804598 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0747126 0.0747126 0.0000000), wk = 0.0027473 k( 128) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0027473 k( 129) = ( 0.0632184 0.0632184 0.0000000), wk = 0.0027473 k( 130) = ( 0.0574713 0.0574713 -0.0000000), wk = 0.0027473 k( 131) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0027473 k( 132) = ( 0.0459770 0.0459770 -0.0000000), wk = 0.0027473 k( 133) = ( 0.0402299 0.0402299 0.0000000), wk = 0.0027473 k( 134) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0287356 0.0287356 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0027473 k( 137) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0114942 0.0114942 0.0000000), wk = 0.0027473 k( 139) = ( 0.0057471 0.0057471 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 142) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 170) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0027473 k( 171) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0027473 k( 172) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0027473 k( 173) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0027473 k( 174) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0027473 k( 175) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0027473 k( 176) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0027473 k( 177) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0027473 k( 178) = ( 0.0900000 0.0000000 0.5000000), wk = 0.0027473 k( 179) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0027473 k( 180) = ( 0.1100000 0.0000000 0.5000000), wk = 0.0027473 k( 181) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0027473 k( 182) = ( 0.1300000 0.0000000 0.5000000), wk = 0.0027473 k( 183) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0027473 k( 184) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0027473 k( 185) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0027473 k( 186) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0027473 k( 187) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0027473 k( 188) = ( 0.1900000 0.0000000 0.5000000), wk = 0.0027473 k( 189) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0027473 k( 190) = ( 0.2100000 0.0000000 0.5000000), wk = 0.0027473 k( 191) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0027473 k( 192) = ( 0.2300000 0.0000000 0.5000000), wk = 0.0027473 k( 193) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0027473 k( 194) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0027473 k( 195) = ( 0.2600000 0.0000000 0.5000000), wk = 0.0027473 k( 196) = ( 0.2700000 -0.0000000 0.5000000), wk = 0.0027473 k( 197) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0027473 k( 198) = ( 0.2900000 -0.0000000 0.5000000), wk = 0.0027473 k( 199) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0027473 k( 200) = ( 0.3100000 0.0000000 0.5000000), wk = 0.0027473 k( 201) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0027473 k( 202) = ( 0.3300000 0.0000000 0.5000000), wk = 0.0027473 k( 203) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0027473 k( 204) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0027473 k( 205) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0027473 k( 206) = ( 0.3700000 0.0000000 0.5000000), wk = 0.0027473 k( 207) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0027473 k( 208) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0027473 k( 209) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0027473 k( 210) = ( 0.4100000 0.0000000 0.5000000), wk = 0.0027473 k( 211) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0027473 k( 212) = ( 0.4300000 0.0000000 0.5000000), wk = 0.0027473 k( 213) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0027473 k( 214) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0027473 k( 215) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0027473 k( 216) = ( 0.4700000 0.0000000 0.5000000), wk = 0.0027473 k( 217) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0027473 k( 218) = ( 0.4900000 0.0000000 0.5000000), wk = 0.0027473 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 220) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 221) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0027473 k( 222) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0027473 k( 223) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0027473 k( 224) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0027473 k( 225) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0027473 k( 226) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0027473 k( 227) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0027473 k( 228) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0027473 k( 229) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0027473 k( 230) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0027473 k( 231) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0027473 k( 232) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0027473 k( 233) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0027473 k( 234) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0027473 k( 235) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0027473 k( 236) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0027473 k( 237) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0027473 k( 238) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0027473 k( 239) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0027473 k( 240) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0027473 k( 241) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0027473 k( 242) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0027473 k( 243) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0027473 k( 244) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0027473 k( 245) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0027473 k( 246) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0027473 k( 247) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0027473 k( 248) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0027473 k( 249) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 k( 250) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 k( 251) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0027473 k( 252) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0027473 k( 253) = ( 0.3160920 0.3160920 0.5000000), wk = 0.0027473 k( 254) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0027473 k( 255) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0027473 k( 256) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0027473 k( 257) = ( 0.2931034 0.2931035 0.5000000), wk = 0.0027473 k( 258) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0027473 k( 259) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0027473 k( 260) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0027473 k( 261) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0027473 k( 262) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0027473 k( 263) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0027473 k( 264) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0027473 k( 265) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0027473 k( 266) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0027473 k( 267) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0027473 k( 268) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0027473 k( 269) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0027473 k( 270) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0027473 k( 271) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0027473 k( 272) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0027473 k( 273) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0027473 k( 274) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0027473 k( 275) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0027473 k( 276) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0027473 k( 277) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0027473 k( 278) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0027473 k( 279) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027473 k( 280) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0027473 k( 281) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0027473 k( 282) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0027473 k( 283) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0027473 k( 284) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0027473 k( 285) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0027473 k( 286) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0027473 k( 287) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0027473 k( 288) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0027473 k( 289) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0027473 k( 290) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0027473 k( 291) = ( 0.0977012 0.0977012 0.5000000), wk = 0.0027473 k( 292) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0027473 k( 293) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0027473 k( 294) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0027473 k( 295) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0027473 k( 296) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0027473 k( 297) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0027473 k( 298) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0027473 k( 299) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0027473 k( 300) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0027473 k( 301) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0027473 k( 302) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0027473 k( 303) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0027473 k( 304) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0027473 k( 305) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0027473 k( 306) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0027473 k( 307) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0027473 k( 308) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 309) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 310) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0027473 k( 311) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0027473 k( 312) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0027473 k( 313) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0027473 k( 314) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0027473 k( 315) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0027473 k( 316) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0027473 k( 317) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0027473 k( 318) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0027473 k( 319) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0027473 k( 320) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0027473 k( 321) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0027473 k( 322) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0027473 k( 323) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0027473 k( 324) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0027473 k( 325) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0027473 k( 326) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0027473 k( 327) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0027473 k( 328) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0027473 k( 329) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0027473 k( 330) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0027473 k( 331) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0027473 k( 332) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0027473 k( 333) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0027473 k( 334) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0027473 k( 335) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0027473 k( 336) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 337) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027473 k( 338) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0027473 k( 339) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0027473 k( 340) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0027473 k( 341) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0027473 k( 342) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0027473 k( 343) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0027473 k( 344) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0027473 k( 345) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0027473 k( 346) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0027473 k( 347) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0027473 k( 348) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0027473 k( 349) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0027473 k( 350) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0027473 k( 351) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0027473 k( 352) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0027473 k( 353) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0027473 k( 354) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0027473 k( 355) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027473 k( 356) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0027473 k( 357) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0027473 k( 358) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0027473 k( 359) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0027473 k( 360) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0027473 k( 361) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0027473 k( 362) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0027473 k( 363) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0027473 k( 364) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 Dense grid: 30355 G-vectors FFT dimensions: ( 36, 36, 60) Smooth grid: 20377 G-vectors FFT dimensions: ( 32, 32, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 142, 34) NL pseudopotentials 0.11 Mb ( 71, 102) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 840) G-vector shells 0.00 Mb ( 408) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 142, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.11 Mb ( 102, 2, 34) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SnS2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.3 secs Computing kpt #: 7 total cpu time spent up to now is 3.4 secs Computing kpt #: 8 total cpu time spent up to now is 3.5 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 3.8 secs Computing kpt #: 11 total cpu time spent up to now is 4.0 secs Computing kpt #: 12 total cpu time spent up to now is 4.1 secs Computing kpt #: 13 total cpu time spent up to now is 4.3 secs Computing kpt #: 14 total cpu time spent up to now is 4.4 secs Computing kpt #: 15 total cpu time spent up to now is 4.5 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.8 secs Computing kpt #: 18 total cpu time spent up to now is 5.0 secs Computing kpt #: 19 total cpu time spent up to now is 5.1 secs Computing kpt #: 20 total cpu time spent up to now is 5.3 secs Computing kpt #: 21 total cpu time spent up to now is 5.4 secs Computing kpt #: 22 total cpu time spent up to now is 5.6 secs Computing kpt #: 23 total cpu time spent up to now is 5.7 secs Computing kpt #: 24 total cpu time spent up to now is 5.9 secs Computing kpt #: 25 total cpu time spent up to now is 6.0 secs Computing kpt #: 26 total cpu time spent up to now is 6.2 secs Computing kpt #: 27 total cpu time spent up to now is 6.3 secs Computing kpt #: 28 total cpu time spent up to now is 6.5 secs Computing kpt #: 29 total cpu time spent up to now is 6.7 secs Computing kpt #: 30 total cpu time spent up to now is 6.8 secs Computing kpt #: 31 total cpu time spent up to now is 7.0 secs Computing kpt #: 32 total cpu time spent up to now is 7.2 secs Computing kpt #: 33 total cpu time spent up to now is 7.3 secs Computing kpt #: 34 total cpu time spent up to now is 7.5 secs Computing kpt #: 35 total cpu time spent up to now is 7.7 secs Computing kpt #: 36 total cpu time spent up to now is 7.8 secs Computing kpt #: 37 total cpu time spent up to now is 8.0 secs Computing kpt #: 38 total cpu time spent up to now is 8.4 secs Computing kpt #: 39 total cpu time spent up to now is 8.6 secs Computing kpt #: 40 total cpu time spent up to now is 8.8 secs Computing kpt #: 41 total cpu time spent up to now is 8.9 secs Computing kpt #: 42 total cpu time spent up to now is 9.1 secs Computing kpt #: 43 total cpu time spent up to now is 9.2 secs Computing kpt #: 44 total cpu time spent up to now is 9.4 secs Computing kpt #: 45 total cpu time spent up to now is 9.5 secs Computing kpt #: 46 total cpu time spent up to now is 9.7 secs Computing kpt #: 47 total cpu time spent up to now is 9.8 secs Computing kpt #: 48 total cpu time spent up to now is 10.0 secs Computing kpt #: 49 total cpu time spent up to now is 10.1 secs Computing kpt #: 50 total cpu time spent up to now is 10.3 secs Computing kpt #: 51 total cpu time spent up to now is 10.4 secs Computing kpt #: 52 total cpu time spent up to now is 10.6 secs Computing kpt #: 53 total cpu time spent up to now is 10.7 secs Computing kpt #: 54 total cpu time spent up to now is 10.9 secs Computing kpt #: 55 total cpu time spent up to now is 11.0 secs Computing kpt #: 56 total cpu time spent up to now is 11.2 secs Computing kpt #: 57 total cpu time spent up to now is 11.3 secs Computing kpt #: 58 total cpu time spent up to now is 11.5 secs Computing kpt #: 59 total cpu time spent up to now is 11.6 secs Computing kpt #: 60 total cpu time spent up to now is 11.8 secs Computing kpt #: 61 total cpu 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Computing kpt #: 77 total cpu time spent up to now is 14.9 secs Computing kpt #: 78 total cpu time spent up to now is 15.0 secs Computing kpt #: 79 total cpu time spent up to now is 15.2 secs Computing kpt #: 80 total cpu time spent up to now is 15.4 secs Computing kpt #: 81 total cpu time spent up to now is 15.6 secs Computing kpt #: 82 total cpu time spent up to now is 15.8 secs Computing kpt #: 83 total cpu time spent up to now is 15.9 secs Computing kpt #: 84 total cpu time spent up to now is 16.1 secs Computing kpt #: 85 total cpu time spent up to now is 16.3 secs Computing kpt #: 86 total cpu time spent up to now is 16.5 secs Computing kpt #: 87 total cpu time spent up to now is 16.7 secs Computing kpt #: 88 total cpu time spent up to now is 16.8 secs Computing kpt #: 89 total cpu time spent up to now is 17.0 secs Computing kpt #: 90 total cpu time spent up to now is 17.2 secs Computing kpt #: 91 total cpu time spent up to now is 17.4 secs Computing kpt #: 92 total cpu time spent up to now is 17.6 secs Computing kpt #: 93 total cpu time spent up to now is 17.8 secs Computing kpt #: 94 total cpu time spent up to now is 18.0 secs Computing kpt #: 95 total cpu time spent up to now is 18.1 secs Computing kpt #: 96 total cpu time spent up to now is 18.3 secs Computing kpt #: 97 total cpu time spent up to now is 18.5 secs Computing kpt #: 98 total cpu time spent up to now is 18.7 secs Computing kpt #: 99 total cpu time spent up to now is 18.8 secs Computing kpt #: 100 total cpu time spent up to now is 19.0 secs Computing kpt #: 101 total cpu time spent up to now is 19.2 secs Computing kpt #: 102 total cpu time spent up to now is 19.4 secs Computing kpt #: 103 total cpu time spent up to now is 19.5 secs Computing kpt #: 104 total cpu time spent up to now is 19.7 secs Computing kpt #: 105 total cpu time spent up to now is 19.9 secs Computing kpt #: 106 total cpu time spent up to now is 20.1 secs Computing kpt #: 107 total cpu time spent up to now is 20.2 secs Computing 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secs Computing kpt #: 139 total cpu time spent up to now is 25.1 secs Computing kpt #: 140 total cpu time spent up to now is 25.3 secs Computing kpt #: 141 total cpu time spent up to now is 25.4 secs Computing kpt #: 142 total cpu time spent up to now is 25.6 secs Computing kpt #: 143 total cpu time spent up to now is 25.7 secs Computing kpt #: 144 total cpu time spent up to now is 25.8 secs Computing kpt #: 145 total cpu time spent up to now is 26.0 secs Computing kpt #: 146 total cpu time spent up to now is 26.1 secs Computing kpt #: 147 total cpu time spent up to now is 26.3 secs Computing kpt #: 148 total cpu time spent up to now is 26.4 secs Computing kpt #: 149 total cpu time spent up to now is 26.5 secs Computing kpt #: 150 total cpu time spent up to now is 26.7 secs Computing kpt #: 151 total cpu time spent up to now is 26.8 secs Computing kpt #: 152 total cpu time spent up to now is 27.0 secs Computing kpt #: 153 total cpu time spent up to now is 27.1 secs Computing kpt #: 154 total cpu time spent up to now is 27.2 secs Computing kpt #: 155 total cpu time spent up to now is 27.4 secs Computing kpt #: 156 total cpu time spent up to now is 27.5 secs Computing kpt #: 157 total cpu time spent up to now is 27.7 secs Computing kpt #: 158 total cpu time spent up to now is 27.8 secs Computing kpt #: 159 total cpu time spent up to now is 27.9 secs Computing kpt #: 160 total cpu time spent up to now is 28.1 secs Computing kpt #: 161 total cpu time spent up to now is 28.2 secs Computing kpt #: 162 total cpu time spent up to now is 28.4 secs Computing kpt #: 163 total cpu time spent up to now is 28.5 secs Computing kpt #: 164 total cpu time spent up to now is 28.6 secs Computing kpt #: 165 total cpu time spent up to now is 28.8 secs Computing kpt #: 166 total cpu time spent up to now is 28.9 secs Computing kpt #: 167 total cpu time spent up to now is 29.1 secs Computing kpt #: 168 total cpu time spent up to now is 29.2 secs Computing kpt #: 169 total cpu time spent up 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total cpu time spent up to now is 34.1 secs Computing kpt #: 201 total cpu time spent up to now is 34.3 secs Computing kpt #: 202 total cpu time spent up to now is 34.4 secs Computing kpt #: 203 total cpu time spent up to now is 34.6 secs Computing kpt #: 204 total cpu time spent up to now is 34.8 secs Computing kpt #: 205 total cpu time spent up to now is 35.0 secs Computing kpt #: 206 total cpu time spent up to now is 35.2 secs Computing kpt #: 207 total cpu time spent up to now is 35.4 secs Computing kpt #: 208 total cpu time spent up to now is 35.5 secs Computing kpt #: 209 total cpu time spent up to now is 35.7 secs Computing kpt #: 210 total cpu time spent up to now is 35.9 secs Computing kpt #: 211 total cpu time spent up to now is 36.0 secs Computing kpt #: 212 total cpu time spent up to now is 36.2 secs Computing kpt #: 213 total cpu time spent up to now is 36.4 secs Computing kpt #: 214 total cpu time spent up to now is 36.5 secs Computing kpt #: 215 total cpu time spent up to now is 36.7 secs Computing kpt #: 216 total cpu time spent up to now is 36.9 secs Computing kpt #: 217 total cpu time spent up to now is 37.0 secs Computing kpt #: 218 total cpu time spent up to now is 37.2 secs Computing kpt #: 219 total cpu time spent up to now is 37.3 secs Computing kpt #: 220 total cpu time spent up to now is 37.5 secs Computing kpt #: 221 total cpu time spent up to now is 37.7 secs Computing kpt #: 222 total cpu time spent up to now is 37.8 secs Computing kpt #: 223 total cpu time spent up to now is 38.0 secs Computing kpt #: 224 total cpu time spent up to now is 38.1 secs Computing kpt #: 225 total cpu time spent up to now is 38.3 secs Computing kpt #: 226 total cpu time spent up to now is 38.5 secs Computing kpt #: 227 total cpu time spent up to now is 38.6 secs Computing kpt #: 228 total cpu time spent up to now is 38.8 secs Computing kpt #: 229 total cpu time spent up to now is 39.0 secs Computing kpt #: 230 total cpu time spent up to now is 39.1 secs Computing kpt #: 231 total cpu time spent up to now is 39.3 secs Computing kpt #: 232 total cpu time spent up to now is 39.4 secs Computing kpt #: 233 total cpu time spent up to now is 39.6 secs Computing kpt #: 234 total cpu time spent up to now is 39.7 secs Computing kpt #: 235 total cpu time spent up to now is 39.9 secs Computing kpt #: 236 total cpu time spent up to now is 40.1 secs Computing kpt #: 237 total cpu time spent up to now is 40.2 secs Computing kpt #: 238 total cpu time spent up to now is 40.4 secs Computing kpt #: 239 total cpu time spent up to now is 40.5 secs Computing kpt #: 240 total cpu time spent up to now is 40.7 secs Computing kpt #: 241 total cpu time spent up to now is 40.8 secs Computing kpt #: 242 total cpu time spent up to now is 41.0 secs Computing kpt #: 243 total cpu time spent up to now is 41.2 secs Computing kpt #: 244 total cpu time spent up to now is 41.3 secs Computing kpt #: 245 total cpu time spent up to now is 41.5 secs Computing kpt #: 246 total cpu time spent up to now is 41.6 secs Computing kpt #: 247 total cpu time spent up to now is 41.8 secs Computing kpt #: 248 total cpu time spent up to now is 42.0 secs Computing kpt #: 249 total cpu time spent up to now is 42.1 secs Computing kpt #: 250 total cpu time spent up to now is 42.3 secs Computing kpt #: 251 total cpu time spent up to now is 42.5 secs Computing kpt #: 252 total cpu time spent up to now is 42.6 secs Computing kpt #: 253 total cpu time spent up to now is 42.8 secs Computing kpt #: 254 total cpu time spent up to now is 42.9 secs Computing kpt #: 255 total cpu time spent up to now is 43.1 secs Computing kpt #: 256 total cpu time spent up to now is 43.4 secs Computing kpt #: 257 total cpu time spent up to now is 43.6 secs Computing kpt #: 258 total cpu time spent up to now is 43.7 secs Computing kpt #: 259 total cpu time spent up to now is 43.9 secs Computing kpt #: 260 total cpu time spent up to now is 44.0 secs Computing kpt #: 261 total cpu time spent up to now is 44.2 secs Computing kpt #: 262 total cpu time spent up to now is 44.4 secs Computing kpt #: 263 total cpu time spent up to now is 44.5 secs Computing kpt #: 264 total cpu time spent up to now is 44.7 secs Computing kpt #: 265 total cpu time spent up to now is 44.8 secs Computing kpt #: 266 total cpu time spent up to now is 45.0 secs Computing kpt #: 267 total cpu time spent up to now is 45.2 secs Computing kpt #: 268 total cpu time spent up to now is 45.3 secs Computing kpt #: 269 total cpu time spent up to now is 45.5 secs Computing kpt #: 270 total cpu time spent up to now is 45.6 secs Computing kpt #: 271 total cpu time spent up to now is 45.8 secs Computing kpt #: 272 total cpu time spent up to now is 46.0 secs Computing kpt #: 273 total cpu time spent up to now is 46.1 secs Computing kpt #: 274 total cpu time spent up to now is 46.3 secs Computing kpt #: 275 total cpu time spent up to now is 46.5 secs Computing kpt #: 276 total cpu time spent up to now is 46.6 secs Computing kpt #: 277 total cpu time spent up to now is 46.8 secs Computing kpt #: 278 total cpu time spent up to now is 47.0 secs Computing kpt #: 279 total cpu time spent up to now is 47.2 secs Computing kpt #: 280 total cpu time spent up to now is 47.3 secs Computing kpt #: 281 total cpu time spent up to now is 47.5 secs Computing kpt #: 282 total cpu time spent up to now is 47.7 secs Computing kpt #: 283 total cpu time spent up to now is 47.9 secs Computing kpt #: 284 total cpu time spent up to now is 48.0 secs Computing kpt #: 285 total cpu time spent up to now is 48.2 secs Computing kpt #: 286 total cpu time spent up to now is 48.4 secs Computing kpt #: 287 total cpu time spent up to now is 48.6 secs Computing kpt #: 288 total cpu time spent up to now is 48.7 secs Computing kpt #: 289 total cpu time spent up to now is 48.9 secs Computing kpt #: 290 total cpu time spent up to now is 49.0 secs Computing kpt #: 291 total cpu time spent up to now is 49.2 secs Computing kpt #: 292 total cpu time spent up to now is 49.3 secs Computing kpt #: 293 total cpu time spent up to now is 49.5 secs Computing kpt #: 294 total cpu time spent up to now is 49.6 secs Computing kpt #: 295 total cpu time spent up to now is 49.8 secs Computing kpt #: 296 total cpu time spent up to now is 49.9 secs Computing kpt #: 297 total cpu time spent up to now is 50.1 secs Computing kpt #: 298 total cpu time spent up to now is 50.2 secs Computing kpt #: 299 total cpu time spent up to now is 50.4 secs Computing kpt #: 300 total cpu time spent up to now is 50.5 secs Computing kpt #: 301 total cpu time spent up to now is 50.7 secs Computing kpt #: 302 total cpu time spent up to now is 50.8 secs Computing kpt #: 303 total cpu time spent up to now is 50.9 secs Computing kpt #: 304 total cpu time spent up to now is 51.1 secs Computing kpt #: 305 total cpu time spent up to now is 51.2 secs Computing kpt #: 306 total cpu time spent up to now is 51.4 secs Computing kpt #: 307 total cpu time spent up to now is 51.5 secs Computing kpt #: 308 total cpu time spent up to now is 51.6 secs Computing kpt #: 309 total cpu time spent up to now is 51.8 secs Computing kpt #: 310 total cpu time spent up to now is 52.0 secs Computing kpt #: 311 total cpu time spent up to now is 52.1 secs Computing kpt #: 312 total cpu time spent up to now is 52.3 secs Computing kpt #: 313 total cpu time spent up to now is 52.4 secs Computing kpt #: 314 total cpu time spent up to now is 52.6 secs Computing kpt #: 315 total cpu time spent up to now is 52.8 secs Computing kpt #: 316 total cpu time spent up to now is 52.9 secs Computing kpt #: 317 total cpu time spent up to now is 53.1 secs Computing kpt #: 318 total cpu time spent up to now is 53.3 secs Computing kpt #: 319 total cpu time spent up to now is 53.5 secs Computing kpt #: 320 total cpu time spent up to now is 53.7 secs Computing kpt #: 321 total cpu time spent up to now is 53.8 secs Computing kpt #: 322 total cpu time spent up to now is 54.0 secs Computing kpt #: 323 total cpu time spent up to now is 54.2 secs Computing kpt #: 324 total cpu time spent up to now is 54.4 secs Computing kpt #: 325 total cpu time spent up to now is 54.5 secs Computing kpt #: 326 total cpu time spent up to now is 54.7 secs Computing kpt #: 327 total cpu time spent up to now is 54.8 secs Computing kpt #: 328 total cpu time spent up to now is 55.0 secs Computing kpt #: 329 total cpu time spent up to now is 55.2 secs Computing kpt #: 330 total cpu time spent up to now is 55.3 secs Computing kpt #: 331 total cpu time spent up to now is 55.5 secs Computing kpt #: 332 total cpu time spent up to now is 55.6 secs Computing kpt #: 333 total cpu time spent up to now is 55.8 secs Computing kpt #: 334 total cpu time spent up to now is 55.9 secs Computing kpt #: 335 total cpu time spent up to now is 56.0 secs Computing kpt #: 336 total cpu time spent up to now is 56.2 secs Computing kpt #: 337 total cpu time spent up to now is 56.4 secs Computing kpt #: 338 total cpu time spent up to now is 56.5 secs Computing kpt #: 339 total cpu time spent up to now is 56.7 secs Computing kpt #: 340 total cpu time spent up to now is 56.9 secs Computing kpt #: 341 total cpu time spent up to now is 57.1 secs Computing kpt #: 342 total cpu time spent up to now is 57.2 secs Computing kpt #: 343 total cpu time spent up to now is 57.4 secs Computing kpt #: 344 total cpu time spent up to now is 57.6 secs Computing kpt #: 345 total cpu time spent up to now is 57.8 secs Computing kpt #: 346 total cpu time spent up to now is 57.9 secs Computing kpt #: 347 total cpu time spent up to now is 58.1 secs Computing kpt #: 348 total cpu time spent up to now is 58.3 secs Computing kpt #: 349 total cpu time spent up to now is 58.5 secs Computing kpt #: 350 total cpu time spent up to now is 58.6 secs Computing kpt #: 351 total cpu time spent up to now is 58.8 secs Computing kpt #: 352 total cpu time spent up to now is 59.0 secs Computing kpt #: 353 total cpu time spent up to now is 59.1 secs Computing kpt #: 354 total cpu time spent up to now is 59.3 secs Computing kpt #: 355 total cpu time spent up to now is 59.5 secs Computing kpt #: 356 total cpu time spent up to now is 59.7 secs Computing kpt #: 357 total cpu time spent up to now is 59.8 secs Computing kpt #: 358 total cpu time spent up to now is 60.0 secs Computing kpt #: 359 total cpu time spent up to now is 60.2 secs Computing kpt #: 360 total cpu time spent up to now is 60.3 secs Computing kpt #: 361 total cpu time spent up to now is 60.5 secs Computing kpt #: 362 total cpu time spent up to now is 60.7 secs Computing kpt #: 363 total cpu time spent up to now is 60.8 secs Computing kpt #: 364 total cpu time spent up to now is 61.0 secs ethr = 3.85E-08, avg # of iterations = 15.1 total cpu time spent up to now is 61.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2551 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1752 -7.1752 -5.0829 -5.0829 1.0391 1.0391 5.9714 5.9714 6.1307 6.1307 6.3062 6.3062 6.3513 6.3513 6.7247 6.7247 8.6822 8.6822 10.3367 10.3367 11.9486 11.9486 12.3382 12.3382 k = 0.0100 0.0058-0.0000 ( 2551 PWs) bands (ev): -14.8337 -14.8337 -14.8044 -14.8044 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1741 -7.1741 -5.0821 -5.0821 1.0395 1.0395 5.9612 5.9612 6.1162 6.1162 6.3109 6.3109 6.3519 6.3519 6.7249 6.7249 8.6908 8.6908 10.3436 10.3436 11.9480 11.9480 12.3372 12.3372 k = 0.0200 0.0115-0.0000 ( 2557 PWs) bands (ev): -14.8337 -14.8337 -14.8044 -14.8044 -13.8219 -13.8219 -13.7747 -13.7747 -13.7692 -13.7692 -7.1706 -7.1706 -5.0796 -5.0796 1.0407 1.0407 5.9305 5.9305 6.0789 6.0789 6.3163 6.3163 6.3567 6.3567 6.7255 6.7255 8.7163 8.7163 10.3643 10.3643 11.9459 11.9459 12.3343 12.3343 k = 0.0300 0.0173-0.0000 ( 2559 PWs) bands (ev): -14.8336 -14.8336 -14.8044 -14.8044 -13.8218 -13.8218 -13.7749 -13.7749 -13.7691 -13.7691 -7.1650 -7.1650 -5.0755 -5.0755 1.0427 1.0427 5.8783 5.8783 6.0304 6.0304 6.3084 6.3084 6.3712 6.3712 6.7264 6.7264 8.7573 8.7573 10.3979 10.3979 11.9417 11.9417 12.3308 12.3308 k = 0.0400 0.0231-0.0000 ( 2565 PWs) bands (ev): -14.8335 -14.8335 -14.8045 -14.8045 -13.8217 -13.8217 -13.7752 -13.7752 -13.7689 -13.7689 -7.1570 -7.1570 -5.0698 -5.0698 1.0454 1.0454 5.8048 5.8048 5.9786 5.9786 6.2854 6.2854 6.3919 6.3919 6.7274 6.7274 8.8118 8.8118 10.4436 10.4436 11.9346 11.9346 12.3284 12.3284 k = 0.0500 0.0289-0.0000 ( 2569 PWs) bands (ev): -14.8334 -14.8334 -14.8045 -14.8045 -13.8215 -13.8215 -13.7755 -13.7755 -13.7688 -13.7688 -7.1468 -7.1468 -5.0624 -5.0624 1.0489 1.0489 5.7123 5.7123 5.9267 5.9267 6.2497 6.2497 6.4143 6.4143 6.7281 6.7281 8.8773 8.8773 10.4997 10.4997 11.9240 11.9240 12.3291 12.3291 k = 0.0600 0.0346-0.0000 ( 2573 PWs) bands (ev): -14.8333 -14.8333 -14.8046 -14.8046 -13.8213 -13.8213 -13.7759 -13.7759 -13.7685 -13.7685 -7.1343 -7.1343 -5.0535 -5.0535 1.0529 1.0529 5.6052 5.6052 5.8745 5.8745 6.2027 6.2027 6.4365 6.4365 6.7283 6.7283 8.9512 8.9512 10.5645 10.5645 11.9097 11.9097 12.3344 12.3344 k = 0.0700 0.0404-0.0000 ( 2577 PWs) bands (ev): -14.8332 -14.8332 -14.8047 -14.8047 -13.8211 -13.8211 -13.7763 -13.7763 -13.7683 -13.7683 -7.1195 -7.1195 -5.0430 -5.0430 1.0575 1.0575 5.4872 5.4872 5.8216 5.8216 6.1457 6.1457 6.4576 6.4576 6.7279 6.7279 9.0310 9.0310 10.6359 10.6359 11.8927 11.8927 12.3454 12.3454 k = 0.0800 0.0462-0.0000 ( 2581 PWs) bands (ev): -14.8330 -14.8330 -14.8048 -14.8048 -13.8209 -13.8209 -13.7768 -13.7768 -13.7680 -13.7680 -7.1025 -7.1025 -5.0311 -5.0311 1.0625 1.0625 5.3611 5.3611 5.7675 5.7675 6.0800 6.0800 6.4773 6.4773 6.7267 6.7267 9.1141 9.1141 10.7112 10.7112 11.8752 11.8752 12.3625 12.3625 k = 0.0900 0.0520-0.0000 ( 2581 PWs) bands (ev): -14.8328 -14.8328 -14.8049 -14.8049 -13.8206 -13.8206 -13.7774 -13.7774 -13.7677 -13.7677 -7.0833 -7.0833 -5.0176 -5.0176 1.0679 1.0679 5.2291 5.2291 5.7122 5.7122 6.0071 6.0071 6.4951 6.4951 6.7248 6.7248 9.1979 9.1979 10.7875 10.7875 11.8605 11.8605 12.3853 12.3853 k = 0.1000 0.0577-0.0000 ( 2577 PWs) bands (ev): -14.8326 -14.8326 -14.8051 -14.8051 -13.8204 -13.8204 -13.7780 -13.7780 -13.7673 -13.7673 -7.0619 -7.0619 -5.0028 -5.0028 1.0734 1.0734 5.0928 5.0928 5.6558 5.6558 5.9281 5.9281 6.5110 6.5110 6.7219 6.7219 9.2801 9.2801 10.8613 10.8613 11.8526 11.8526 12.4132 12.4132 k = 0.1100 0.0635-0.0000 ( 2573 PWs) bands (ev): -14.8324 -14.8324 -14.8052 -14.8052 -13.8202 -13.8202 -13.7786 -13.7786 -13.7668 -13.7668 -7.0382 -7.0382 -4.9866 -4.9866 1.0789 1.0789 4.9536 4.9536 5.5982 5.5982 5.8442 5.8442 6.5250 6.5250 6.7182 6.7182 9.3583 9.3583 10.9290 10.9290 11.8563 11.8563 12.4454 12.4454 k = 0.1200 0.0693-0.0000 ( 2577 PWs) bands (ev): -14.8322 -14.8322 -14.8053 -14.8053 -13.8200 -13.8200 -13.7792 -13.7792 -13.7664 -13.7664 -7.0124 -7.0124 -4.9691 -4.9691 1.0842 1.0842 4.8126 4.8126 5.5395 5.5395 5.7566 5.7566 6.5368 6.5368 6.7135 6.7135 9.4302 9.4302 10.9874 10.9874 11.8756 11.8756 12.4812 12.4812 k = 0.1300 0.0751-0.0000 ( 2569 PWs) bands (ev): -14.8320 -14.8320 -14.8055 -14.8055 -13.8198 -13.8198 -13.7799 -13.7799 -13.7658 -13.7658 -6.9844 -6.9844 -4.9504 -4.9504 1.0891 1.0891 4.6710 4.6710 5.4796 5.4796 5.6663 5.6663 6.5467 6.5467 6.7078 6.7078 9.4935 9.4935 11.0347 11.0347 11.9134 11.9134 12.5197 12.5197 k = 0.1400 0.0808-0.0000 ( 2571 PWs) bands (ev): -14.8318 -14.8318 -14.8056 -14.8056 -13.8196 -13.8196 -13.7806 -13.7806 -13.7652 -13.7652 -6.9542 -6.9542 -4.9306 -4.9306 1.0933 1.0933 4.5296 4.5296 5.4183 5.4183 5.5746 5.5746 6.5546 6.5546 6.7012 6.7012 9.5460 9.5460 11.0719 11.0719 11.9696 11.9696 12.5604 12.5604 k = 0.1500 0.0866-0.0000 ( 2571 PWs) bands (ev): -14.8316 -14.8316 -14.8058 -14.8058 -13.8195 -13.8195 -13.7812 -13.7812 -13.7646 -13.7646 -6.9219 -6.9219 -4.9097 -4.9097 1.0964 1.0964 4.3892 4.3892 5.3548 5.3548 5.4831 5.4831 6.5606 6.5606 6.6934 6.6934 9.5859 9.5859 11.1017 11.1017 12.0420 12.0420 12.6025 12.6025 k = 0.1600 0.0924-0.0000 ( 2567 PWs) bands (ev): -14.8314 -14.8314 -14.8059 -14.8059 -13.8194 -13.8194 -13.7819 -13.7819 -13.7639 -13.7639 -6.8876 -6.8876 -4.8879 -4.8879 1.0982 1.0982 4.2506 4.2506 5.2875 5.2875 5.3941 5.3941 6.5647 6.5647 6.6845 6.6845 9.6119 9.6119 11.1278 11.1278 12.1265 12.1265 12.6457 12.6457 k = 0.1700 0.0981-0.0000 ( 2563 PWs) bands (ev): -14.8313 -14.8313 -14.8061 -14.8061 -13.8194 -13.8194 -13.7825 -13.7825 -13.7632 -13.7632 -6.8511 -6.8511 -4.8652 -4.8652 1.0983 1.0983 4.1147 4.1147 5.2138 5.2138 5.3111 5.3111 6.5670 6.5670 6.6744 6.6744 9.6234 9.6234 11.1536 11.1536 12.2189 12.2189 12.6897 12.6897 k = 0.1800 0.1039-0.0000 ( 2563 PWs) bands (ev): -14.8311 -14.8311 -14.8062 -14.8062 -13.8195 -13.8195 -13.7831 -13.7831 -13.7624 -13.7624 -6.8127 -6.8127 -4.8417 -4.8417 1.0962 1.0962 3.9821 3.9821 5.1320 5.1320 5.2365 5.2365 6.5676 6.5676 6.6631 6.6631 9.6206 9.6206 11.1811 11.1811 12.3150 12.3150 12.7343 12.7343 k = 0.1900 0.1097-0.0000 ( 2567 PWs) bands (ev): -14.8310 -14.8310 -14.8063 -14.8063 -13.8196 -13.8196 -13.7837 -13.7837 -13.7616 -13.7616 -6.7722 -6.7722 -4.8177 -4.8177 1.0914 1.0914 3.8535 3.8535 5.0435 5.0435 5.1692 5.1692 6.5664 6.5664 6.6505 6.6505 9.6045 9.6045 11.2109 11.2109 12.4110 12.4110 12.7799 12.7799 k = 0.2000 0.1155-0.0000 ( 2571 PWs) bands (ev): -14.8309 -14.8309 -14.8065 -14.8065 -13.8198 -13.8198 -13.7842 -13.7842 -13.7607 -13.7607 -6.7298 -6.7298 -4.7932 -4.7932 1.0835 1.0835 3.7298 3.7298 4.9518 4.9518 5.1067 5.1067 6.5633 6.5633 6.6369 6.6369 9.5767 9.5767 11.2427 11.2427 12.5031 12.5031 12.8270 12.8270 k = 0.2100 0.1212-0.0000 ( 2569 PWs) bands (ev): -14.8308 -14.8308 -14.8066 -14.8066 -13.8201 -13.8201 -13.7846 -13.7846 -13.7597 -13.7597 -6.6855 -6.6855 -4.7683 -4.7683 1.0719 1.0719 3.6115 3.6115 4.8590 4.8590 5.0473 5.0473 6.5583 6.5583 6.6223 6.6223 9.5390 9.5390 11.2754 11.2754 12.5875 12.5875 12.8768 12.8768 k = 0.2200 0.1270-0.0000 ( 2573 PWs) bands (ev): -14.8307 -14.8307 -14.8067 -14.8067 -13.8205 -13.8205 -13.7850 -13.7850 -13.7588 -13.7588 -6.6394 -6.6394 -4.7431 -4.7431 1.0561 1.0561 3.4994 3.4994 4.7667 4.7667 4.9899 4.9899 6.5508 6.5508 6.6073 6.6073 9.4934 9.4934 11.3076 11.3076 12.6610 12.6610 12.9300 12.9300 k = 0.2300 0.1328-0.0000 ( 2575 PWs) bands (ev): -14.8307 -14.8307 -14.8067 -14.8067 -13.8210 -13.8210 -13.7853 -13.7853 -13.7577 -13.7577 -6.5914 -6.5914 -4.7180 -4.7180 1.0356 1.0356 3.3939 3.3939 4.6759 4.6759 4.9343 4.9343 6.5401 6.5401 6.5926 6.5926 9.4417 9.4417 11.3379 11.3379 12.7215 12.7215 12.9864 12.9864 k = 0.2400 0.1386-0.0000 ( 2571 PWs) bands (ev): -14.8307 -14.8307 -14.8068 -14.8068 -13.8215 -13.8215 -13.7856 -13.7856 -13.7567 -13.7567 -6.5418 -6.5418 -4.6930 -4.6930 1.0101 1.0101 3.2956 3.2956 4.5872 4.5872 4.8802 4.8802 6.5253 6.5253 6.5790 6.5790 9.3856 9.3856 11.3650 11.3650 12.7694 12.7694 13.0433 13.0433 k = 0.2500 0.1443-0.0000 ( 2559 PWs) bands (ev): -14.8307 -14.8307 -14.8069 -14.8069 -13.8221 -13.8221 -13.7858 -13.7858 -13.7556 -13.7556 -6.4904 -6.4904 -4.6682 -4.6682 0.9791 0.9791 3.2047 3.2047 4.5014 4.5014 4.8277 4.8277 6.5062 6.5062 6.5671 6.5671 9.3265 9.3265 11.3880 11.3880 12.8063 12.8063 13.0963 13.0963 k = 0.2600 0.1501-0.0000 ( 2559 PWs) bands (ev): -14.8308 -14.8308 -14.8069 -14.8069 -13.8228 -13.8228 -13.7859 -13.7859 -13.7545 -13.7545 -6.4375 -6.4375 -4.6439 -4.6439 0.9424 0.9424 3.1214 3.1214 4.4190 4.4190 4.7766 4.7766 6.4830 6.4830 6.5564 6.5564 9.2655 9.2655 11.4063 11.4063 12.8344 12.8344 13.1402 13.1402 k = 0.2700 0.1559-0.0000 ( 2565 PWs) bands (ev): -14.8309 -14.8309 -14.8069 -14.8069 -13.8236 -13.8236 -13.7860 -13.7860 -13.7533 -13.7533 -6.3832 -6.3832 -4.6204 -4.6204 0.9002 0.9002 3.0456 3.0456 4.3404 4.3404 4.7271 4.7271 6.4562 6.4562 6.5465 6.5465 9.2039 9.2039 11.4194 11.4194 12.8556 12.8556 13.1703 13.1703 k = 0.2800 0.1617-0.0000 ( 2567 PWs) bands (ev): -14.8310 -14.8310 -14.8069 -14.8069 -13.8244 -13.8244 -13.7861 -13.7861 -13.7522 -13.7522 -6.3274 -6.3274 -4.5976 -4.5976 0.8526 0.8526 2.9770 2.9770 4.2664 4.2664 4.6793 4.6793 6.4264 6.4264 6.5371 6.5371 9.1423 9.1423 11.4273 11.4273 12.8713 12.8713 13.1834 13.1834 k = 0.2900 0.1674-0.0000 ( 2567 PWs) bands (ev): -14.8312 -14.8312 -14.8068 -14.8068 -13.8252 -13.8252 -13.7861 -13.7861 -13.7510 -13.7510 -6.2703 -6.2703 -4.5760 -4.5760 0.7999 0.7999 2.9151 2.9151 4.1975 4.1975 4.6331 4.6331 6.3939 6.3939 6.5278 6.5278 9.0816 9.0816 11.4302 11.4302 12.8823 12.8823 13.1792 13.1792 k = 0.3000 0.1732-0.0000 ( 2567 PWs) bands (ev): -14.8313 -14.8313 -14.8068 -14.8068 -13.8261 -13.8261 -13.7860 -13.7860 -13.7498 -13.7498 -6.2121 -6.2121 -4.5556 -4.5556 0.7428 0.7428 2.8592 2.8592 4.1341 4.1341 4.5886 4.5886 6.3590 6.3590 6.5186 6.5186 9.0223 9.0223 11.4284 11.4284 12.8894 12.8894 13.1604 13.1604 k = 0.3100 0.1790-0.0000 ( 2571 PWs) bands (ev): -14.8316 -14.8316 -14.8067 -14.8067 -13.8270 -13.8270 -13.7859 -13.7859 -13.7487 -13.7487 -6.1529 -6.1529 -4.5368 -4.5368 0.6821 0.6821 2.8084 2.8084 4.0767 4.0767 4.5460 4.5460 6.3217 6.3217 6.5095 6.5095 8.9648 8.9648 11.4224 11.4224 12.8931 12.8931 13.1313 13.1313 k = 0.3200 0.1848-0.0000 ( 2559 PWs) bands (ev): -14.8318 -14.8318 -14.8067 -14.8067 -13.8279 -13.8279 -13.7859 -13.7859 -13.7475 -13.7475 -6.0927 -6.0927 -4.5197 -4.5197 0.6184 0.6184 2.7619 2.7619 4.0258 4.0258 4.5052 4.5052 6.2823 6.2823 6.5005 6.5005 8.9096 8.9096 11.4128 11.4128 12.8940 12.8940 13.0957 13.0957 k = 0.3300 0.1905-0.0000 ( 2563 PWs) bands (ev): -14.8320 -14.8320 -14.8066 -14.8066 -13.8288 -13.8288 -13.7857 -13.7857 -13.7464 -13.7464 -6.0319 -6.0319 -4.5045 -4.5045 0.5528 0.5528 2.7186 2.7186 3.9817 3.9817 4.4664 4.4664 6.2411 6.2411 6.4917 6.4917 8.8570 8.8570 11.4002 11.4002 12.8923 12.8923 13.0569 13.0569 k = 0.3400 0.1963-0.0000 ( 2561 PWs) bands (ev): -14.8323 -14.8323 -14.8065 -14.8065 -13.8297 -13.8297 -13.7856 -13.7856 -13.7453 -13.7453 -5.9705 -5.9705 -4.4915 -4.4915 0.4861 0.4861 2.6780 2.6780 3.9446 3.9446 4.4295 4.4295 6.1982 6.1982 6.4830 6.4830 8.8072 8.8072 11.3852 11.3852 12.8883 12.8883 13.0171 13.0171 k = 0.3500 0.2021-0.0000 ( 2561 PWs) bands (ev): -14.8326 -14.8326 -14.8064 -14.8064 -13.8305 -13.8305 -13.7855 -13.7855 -13.7442 -13.7442 -5.9088 -5.9088 -4.4807 -4.4807 0.4193 0.4193 2.6392 2.6392 3.9145 3.9145 4.3948 4.3948 6.1540 6.1540 6.4746 6.4746 8.7603 8.7603 11.3683 11.3683 12.8818 12.8818 12.9784 12.9784 k = 0.3600 0.2078-0.0000 ( 2565 PWs) bands (ev): -14.8328 -14.8328 -14.8063 -14.8063 -13.8314 -13.8314 -13.7853 -13.7853 -13.7431 -13.7431 -5.8470 -5.8470 -4.4725 -4.4725 0.3532 0.3532 2.6019 2.6019 3.8912 3.8912 4.3621 4.3621 6.1087 6.1087 6.4664 6.4664 8.7165 8.7165 11.3503 11.3503 12.8721 12.8721 12.9427 12.9427 k = 0.3700 0.2136-0.0000 ( 2563 PWs) bands (ev): -14.8331 -14.8331 -14.8062 -14.8062 -13.8322 -13.8322 -13.7851 -13.7851 -13.7421 -13.7421 -5.7854 -5.7854 -4.4669 -4.4669 0.2886 0.2886 2.5657 2.5657 3.8744 3.8744 4.3316 4.3316 6.0629 6.0629 6.4586 6.4586 8.6759 8.6759 11.3315 11.3315 12.8570 12.8570 12.9132 12.9132 k = 0.3800 0.2194-0.0000 ( 2563 PWs) bands (ev): -14.8334 -14.8334 -14.8061 -14.8061 -13.8330 -13.8330 -13.7850 -13.7850 -13.7412 -13.7412 -5.7242 -5.7242 -4.4640 -4.4640 0.2262 0.2262 2.5306 2.5306 3.8636 3.8636 4.3034 4.3034 6.0168 6.0168 6.4511 6.4511 8.6385 8.6385 11.3125 11.3125 12.8345 12.8345 12.8926 12.8926 k = 0.3900 0.2252-0.0000 ( 2561 PWs) bands (ev): -14.8337 -14.8337 -14.8060 -14.8060 -13.8338 -13.8338 -13.7848 -13.7848 -13.7403 -13.7403 -5.6638 -5.6638 -4.4638 -4.4638 0.1667 0.1667 2.4966 2.4966 3.8583 3.8583 4.2774 4.2774 5.9710 5.9710 6.4441 6.4441 8.6043 8.6043 11.2936 11.2936 12.8073 12.8073 12.8789 12.8789 k = 0.4000 0.2309-0.0000 ( 2549 PWs) bands (ev): -14.8339 -14.8339 -14.8059 -14.8059 -13.8345 -13.8345 -13.7847 -13.7847 -13.7394 -13.7394 -5.6047 -5.6047 -4.4664 -4.4664 0.1106 0.1106 2.4640 2.4640 3.8575 3.8575 4.2538 4.2538 5.9260 5.9260 6.4375 6.4375 8.5733 8.5733 11.2754 11.2754 12.7792 12.7792 12.8685 12.8685 k = 0.4100 0.2367-0.0000 ( 2549 PWs) bands (ev): -14.8342 -14.8342 -14.8058 -14.8058 -13.8351 -13.8351 -13.7845 -13.7845 -13.7386 -13.7386 -5.5472 -5.5472 -4.4716 -4.4716 0.0586 0.0586 2.4330 2.4330 3.8604 3.8604 4.2326 4.2326 5.8824 5.8824 6.4315 6.4315 8.5455 8.5455 11.2579 11.2579 12.7523 12.7523 12.8598 12.8598 k = 0.4200 0.2425-0.0000 ( 2541 PWs) bands (ev): -14.8344 -14.8344 -14.8057 -14.8057 -13.8357 -13.8357 -13.7844 -13.7844 -13.7379 -13.7379 -5.4919 -5.4919 -4.4791 -4.4791 0.0110 0.0110 2.4041 2.4041 3.8662 3.8662 4.2138 4.2138 5.8408 5.8408 6.4260 6.4260 8.5208 8.5208 11.2417 11.2417 12.7276 12.7276 12.8521 12.8521 k = 0.4300 0.2483-0.0000 ( 2539 PWs) bands (ev): -14.8346 -14.8346 -14.8056 -14.8056 -13.8362 -13.8362 -13.7843 -13.7843 -13.7373 -13.7373 -5.4395 -5.4395 -4.4887 -4.4887 -0.0318 -0.0318 2.3774 2.3774 3.8739 3.8739 4.1975 4.1975 5.8018 5.8018 6.4211 6.4211 8.4992 8.4992 11.2268 11.2268 12.7054 12.7054 12.8452 12.8452 k = 0.4400 0.2540-0.0000 ( 2534 PWs) bands (ev): -14.8348 -14.8348 -14.8055 -14.8055 -13.8367 -13.8367 -13.7842 -13.7842 -13.7367 -13.7367 -5.3908 -5.3908 -4.4999 -4.4999 -0.0694 -0.0694 2.3535 2.3535 3.8826 3.8826 4.1836 4.1836 5.7662 5.7662 6.4167 6.4167 8.4806 8.4806 11.2136 11.2136 12.6860 12.6860 12.8392 12.8392 k = 0.4500 0.2598-0.0000 ( 2540 PWs) bands (ev): -14.8350 -14.8350 -14.8055 -14.8055 -13.8371 -13.8371 -13.7841 -13.7841 -13.7363 -13.7363 -5.3465 -5.3465 -4.5119 -4.5119 -0.1017 -0.1017 2.3327 2.3327 3.8915 3.8915 4.1722 4.1722 5.7345 5.7345 6.4130 6.4130 8.4650 8.4650 11.2021 11.2021 12.6694 12.6694 12.8339 12.8339 k = 0.4600 0.2656-0.0000 ( 2538 PWs) bands (ev): -14.8351 -14.8351 -14.8054 -14.8054 -13.8374 -13.8374 -13.7840 -13.7840 -13.7359 -13.7359 -5.3078 -5.3078 -4.5239 -4.5239 -0.1283 -0.1283 2.3151 2.3151 3.8998 3.8998 4.1631 4.1631 5.7075 5.7075 6.4100 6.4100 8.4523 8.4523 11.1925 11.1925 12.6558 12.6558 12.8296 12.8296 k = 0.4700 0.2714-0.0000 ( 2540 PWs) bands (ev): -14.8352 -14.8352 -14.8054 -14.8054 -13.8377 -13.8377 -13.7839 -13.7839 -13.7355 -13.7355 -5.2759 -5.2759 -4.5350 -4.5350 -0.1492 -0.1492 2.3012 2.3012 3.9069 3.9069 4.1564 4.1564 5.6858 5.6858 6.4076 6.4076 8.4424 8.4424 11.1849 11.1849 12.6452 12.6452 12.8261 12.8261 k = 0.4800 0.2771-0.0000 ( 2534 PWs) bands (ev): -14.8353 -14.8353 -14.8053 -14.8053 -13.8379 -13.8379 -13.7839 -13.7839 -13.7353 -13.7353 -5.2518 -5.2518 -4.5440 -4.5440 -0.1642 -0.1642 2.2912 2.2912 3.9123 3.9123 4.1517 4.1517 5.6699 5.6699 6.4058 6.4058 8.4354 8.4354 11.1795 11.1795 12.6376 12.6376 12.8236 12.8236 k = 0.4900 0.2829-0.0000 ( 2534 PWs) bands (ev): -14.8353 -14.8353 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7352 -13.7352 -5.2369 -5.2369 -4.5499 -4.5499 -0.1732 -0.1732 2.2851 2.2851 3.9157 3.9157 4.1489 4.1489 5.6601 5.6601 6.4048 6.4048 8.4312 8.4312 11.1762 11.1762 12.6331 12.6331 12.8221 12.8221 k = 0.5000 0.2887-0.0000 ( 2546 PWs) bands (ev): -14.8353 -14.8353 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7351 -13.7351 -5.2318 -5.2318 -4.5520 -4.5520 -0.1762 -0.1762 2.2830 2.2830 3.9168 3.9168 4.1480 4.1480 5.6568 5.6568 6.4044 6.4044 8.4298 8.4298 11.1751 11.1751 12.6315 12.6315 12.8216 12.8216 k = 0.5000 0.2887-0.0000 ( 2546 PWs) bands (ev): -14.8353 -14.8353 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7351 -13.7351 -5.2318 -5.2318 -4.5520 -4.5520 -0.1762 -0.1762 2.2830 2.2830 3.9168 3.9168 4.1480 4.1480 5.6568 5.6568 6.4044 6.4044 8.4298 8.4298 11.1751 11.1751 12.6315 12.6315 12.8216 12.8216 k = 0.4943 0.2986-0.0000 ( 2538 PWs) bands (ev): -14.8353 -14.8353 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7352 -13.7352 -5.2309 -5.2309 -4.5517 -4.5517 -0.1768 -0.1768 2.2843 2.2843 3.9168 3.9168 4.1439 4.1439 5.6567 5.6567 6.3981 6.3981 8.4340 8.4340 11.1834 11.1834 12.6211 12.6211 12.8348 12.8348 k = 0.4885 0.3086-0.0000 ( 2538 PWs) bands (ev): -14.8352 -14.8352 -14.8054 -14.8054 -13.8378 -13.8378 -13.7840 -13.7840 -13.7353 -13.7353 -5.2283 -5.2283 -4.5509 -4.5509 -0.1785 -0.1785 2.2879 2.2879 3.9167 3.9167 4.1318 4.1318 5.6564 5.6564 6.3791 6.3791 8.4464 8.4464 11.2084 11.2084 12.5966 12.5966 12.8678 12.8678 k = 0.4828 0.3185-0.0000 ( 2542 PWs) bands (ev): -14.8351 -14.8351 -14.8055 -14.8055 -13.8376 -13.8376 -13.7841 -13.7841 -13.7354 -13.7354 -5.2238 -5.2238 -4.5495 -4.5495 -0.1813 -0.1813 2.2940 2.2940 3.9160 3.9160 4.1124 4.1124 5.6558 5.6558 6.3479 6.3479 8.4665 8.4665 11.2495 11.2495 12.5676 12.5676 12.9111 12.9111 k = 0.4770 0.3285-0.0000 ( 2542 PWs) bands (ev): -14.8349 -14.8349 -14.8056 -14.8056 -13.8373 -13.8373 -13.7843 -13.7843 -13.7357 -13.7357 -5.2176 -5.2176 -4.5477 -4.5477 -0.1853 -0.1853 2.3025 2.3025 3.9138 3.9138 4.0873 4.0873 5.6549 5.6549 6.3056 6.3056 8.4932 8.4932 11.3058 11.3058 12.5401 12.5401 12.9595 12.9595 k = 0.4713 0.3384-0.0000 ( 2550 PWs) bands (ev): -14.8346 -14.8346 -14.8058 -14.8058 -13.8369 -13.8369 -13.7845 -13.7845 -13.7359 -13.7359 -5.2097 -5.2097 -4.5454 -4.5454 -0.1904 -0.1904 2.3135 2.3135 3.9082 3.9082 4.0591 4.0591 5.6536 5.6536 6.2530 6.2530 8.5254 8.5254 11.3762 11.3762 12.5170 12.5170 13.0103 13.0103 k = 0.4655 0.3484-0.0000 ( 2546 PWs) bands (ev): -14.8343 -14.8343 -14.8060 -14.8060 -13.8365 -13.8365 -13.7848 -13.7848 -13.7363 -13.7363 -5.2001 -5.2001 -4.5427 -4.5427 -0.1967 -0.1967 2.3268 2.3268 3.8956 3.8956 4.0323 4.0323 5.6520 5.6520 6.1916 6.1916 8.5616 8.5616 11.4595 11.4595 12.5007 12.5007 13.0623 13.0623 k = 0.4598 0.3584-0.0000 ( 2544 PWs) bands (ev): -14.8339 -14.8339 -14.8062 -14.8062 -13.8359 -13.8359 -13.7852 -13.7852 -13.7367 -13.7367 -5.1888 -5.1888 -4.5396 -4.5396 -0.2043 -0.2043 2.3426 2.3426 3.8716 3.8716 4.0120 4.0120 5.6499 5.6499 6.1226 6.1226 8.6003 8.6003 11.5543 11.5543 12.4927 12.4927 13.1147 13.1147 k = 0.4540 0.3683-0.0000 ( 2544 PWs) bands (ev): -14.8335 -14.8335 -14.8065 -14.8065 -13.8353 -13.8353 -13.7856 -13.7856 -13.7371 -13.7371 -5.1758 -5.1758 -4.5363 -4.5363 -0.2131 -0.2131 2.3607 2.3607 3.8349 3.8349 4.0005 4.0005 5.6472 5.6472 6.0475 6.0475 8.6397 8.6397 11.6591 11.6591 12.4945 12.4945 13.1668 13.1668 k = 0.4483 0.3783-0.0000 ( 2536 PWs) bands (ev): -14.8330 -14.8330 -14.8068 -14.8068 -13.8346 -13.8346 -13.7861 -13.7861 -13.7375 -13.7375 -5.1613 -5.1613 -4.5327 -4.5327 -0.2231 -0.2231 2.3812 2.3812 3.7885 3.7885 3.9956 3.9956 5.6439 5.6439 5.9678 5.9678 8.6783 8.6783 11.7724 11.7724 12.5074 12.5074 13.2184 13.2184 k = 0.4425 0.3882-0.0000 ( 2540 PWs) bands (ev): -14.8325 -14.8325 -14.8071 -14.8071 -13.8339 -13.8339 -13.7867 -13.7867 -13.7380 -13.7380 -5.1452 -5.1452 -4.5291 -4.5291 -0.2345 -0.2345 2.4040 2.4040 3.7361 3.7361 3.9941 3.9941 5.6397 5.6397 5.8850 5.8850 8.7147 8.7147 11.8927 11.8927 12.5324 12.5324 13.2693 13.2693 k = 0.4368 0.3982-0.0000 ( 2540 PWs) bands (ev): -14.8320 -14.8320 -14.8075 -14.8075 -13.8330 -13.8330 -13.7873 -13.7873 -13.7385 -13.7385 -5.1276 -5.1276 -4.5255 -4.5255 -0.2471 -0.2471 2.4290 2.4290 3.6806 3.6806 3.9939 3.9939 5.6344 5.6344 5.8008 5.8008 8.7475 8.7475 12.0184 12.0184 12.5704 12.5704 13.3193 13.3193 k = 0.4310 0.4081-0.0000 ( 2538 PWs) bands (ev): -14.8314 -14.8314 -14.8079 -14.8079 -13.8321 -13.8321 -13.7880 -13.7880 -13.7390 -13.7390 -5.1086 -5.1086 -4.5220 -4.5220 -0.2609 -0.2609 2.4564 2.4564 3.6238 3.6238 3.9935 3.9935 5.6273 5.6273 5.7172 5.7172 8.7757 8.7757 12.1482 12.1482 12.6219 12.6219 13.3686 13.3686 k = 0.4253 0.4181-0.0000 ( 2532 PWs) bands (ev): -14.8308 -14.8308 -14.8083 -14.8083 -13.8311 -13.8311 -13.7888 -13.7888 -13.7395 -13.7395 -5.0882 -5.0882 -4.5188 -4.5188 -0.2759 -0.2759 2.4859 2.4859 3.5670 3.5670 3.9918 3.9918 5.6113 5.6113 5.6426 5.6426 8.7988 8.7988 12.2803 12.2803 12.6871 12.6871 13.4171 13.4171 k = 0.4195 0.4280-0.0000 ( 2528 PWs) bands (ev): -14.8302 -14.8302 -14.8087 -14.8087 -13.8301 -13.8301 -13.7896 -13.7896 -13.7400 -13.7400 -5.0665 -5.0665 -4.5160 -4.5160 -0.2921 -0.2921 2.5176 2.5176 3.5114 3.5114 3.9876 3.9876 5.5469 5.5469 5.6182 5.6182 8.8163 8.8163 12.4134 12.4134 12.7656 12.7656 13.4651 13.4651 k = 0.4138 0.4380-0.0000 ( 2522 PWs) bands (ev): -14.8295 -14.8295 -14.8092 -14.8092 -13.8290 -13.8290 -13.7905 -13.7905 -13.7405 -13.7405 -5.0436 -5.0436 -4.5138 -4.5138 -0.3093 -0.3093 2.5514 2.5514 3.4578 3.4578 3.9801 3.9801 5.4723 5.4723 5.6070 5.6070 8.8283 8.8283 12.5460 12.5460 12.8566 12.8566 13.5131 13.5131 k = 0.4080 0.4479-0.0000 ( 2534 PWs) bands (ev): -14.8288 -14.8288 -14.8097 -14.8097 -13.8279 -13.8279 -13.7914 -13.7914 -13.7410 -13.7410 -5.0195 -5.0195 -4.5123 -4.5123 -0.3273 -0.3273 2.5872 2.5872 3.4068 3.4068 3.9682 3.9682 5.4024 5.4024 5.5953 5.5953 8.8349 8.8349 12.6769 12.6769 12.9583 12.9583 13.5619 13.5619 k = 0.4023 0.4579-0.0000 ( 2530 PWs) bands (ev): -14.8281 -14.8281 -14.8102 -14.8102 -13.8267 -13.8267 -13.7924 -13.7924 -13.7414 -13.7414 -4.9944 -4.9944 -4.5118 -4.5118 -0.3461 -0.3461 2.6249 2.6249 3.3591 3.3591 3.9511 3.9511 5.3396 5.3396 5.5823 5.5823 8.8367 8.8367 12.8048 12.8048 13.0679 13.0679 13.6125 13.6125 k = 0.3966 0.4679-0.0000 ( 2526 PWs) bands (ev): -14.8274 -14.8274 -14.8108 -14.8108 -13.8255 -13.8255 -13.7935 -13.7935 -13.7418 -13.7418 -4.9684 -4.9684 -4.5125 -4.5125 -0.3653 -0.3653 2.6645 2.6645 3.3151 3.3151 3.9279 3.9279 5.2853 5.2853 5.5676 5.5676 8.8343 8.8343 12.9285 12.9285 13.1819 13.1819 13.6671 13.6671 k = 0.3908 0.4778-0.0000 ( 2526 PWs) bands (ev): -14.8267 -14.8267 -14.8113 -14.8113 -13.8243 -13.8243 -13.7946 -13.7946 -13.7422 -13.7422 -4.9415 -4.9415 -4.5144 -4.5144 -0.3848 -0.3848 2.7058 2.7058 3.2751 3.2751 3.8981 3.8981 5.2405 5.2405 5.5511 5.5511 8.8285 8.8285 13.0462 13.0462 13.2955 13.2955 13.7285 13.7285 k = 0.3851 0.4878-0.0000 ( 2524 PWs) bands (ev): -14.8260 -14.8260 -14.8119 -14.8119 -13.8230 -13.8230 -13.7958 -13.7958 -13.7425 -13.7425 -4.9139 -4.9139 -4.5179 -4.5179 -0.4041 -0.4041 2.7485 2.7485 3.2394 3.2394 3.8618 3.8618 5.2059 5.2059 5.5327 5.5327 8.8202 8.8202 13.1555 13.1555 13.4031 13.4031 13.8009 13.8009 k = 0.3793 0.4977-0.0000 ( 2524 PWs) bands (ev): -14.8253 -14.8253 -14.8124 -14.8124 -13.8217 -13.8217 -13.7970 -13.7970 -13.7428 -13.7428 -4.8857 -4.8857 -4.5232 -4.5232 -0.4231 -0.4231 2.7924 2.7924 3.2084 3.2084 3.8192 3.8192 5.1816 5.1816 5.5122 5.5122 8.8101 8.8101 13.2538 13.2538 13.4989 13.4989 13.8882 13.8882 k = 0.3736 0.5077-0.0000 ( 2520 PWs) bands (ev): -14.8246 -14.8246 -14.8130 -14.8130 -13.8204 -13.8204 -13.7982 -13.7982 -13.7430 -13.7430 -4.8570 -4.8570 -4.5305 -4.5305 -0.4413 -0.4413 2.8372 2.8372 3.1821 3.1821 3.7712 3.7712 5.1673 5.1673 5.4897 5.4897 8.7991 8.7991 13.3384 13.3384 13.5796 13.5796 13.9916 13.9916 k = 0.3678 0.5176-0.0000 ( 2518 PWs) bands (ev): -14.8240 -14.8240 -14.8135 -14.8135 -13.8192 -13.8192 -13.7994 -13.7994 -13.7433 -13.7433 -4.8280 -4.8280 -4.5399 -4.5399 -0.4583 -0.4583 2.8821 2.8821 3.1609 3.1609 3.7190 3.7190 5.1624 5.1624 5.4651 5.4651 8.7879 8.7879 13.4081 13.4081 13.6451 13.6451 14.1070 14.1070 k = 0.3621 0.5276-0.0000 ( 2522 PWs) bands (ev): -14.8234 -14.8234 -14.8141 -14.8141 -13.8180 -13.8180 -13.8005 -13.8005 -13.7434 -13.7434 -4.7987 -4.7987 -4.5518 -4.5518 -0.4738 -0.4738 2.9260 2.9260 3.1450 3.1450 3.6644 3.6644 5.1660 5.1660 5.4385 5.4385 8.7771 8.7771 13.4629 13.4629 13.6968 13.6968 14.2266 14.2266 k = 0.3563 0.5375-0.0000 ( 2526 PWs) bands (ev): -14.8228 -14.8228 -14.8145 -14.8145 -13.8169 -13.8169 -13.8016 -13.8016 -13.7435 -13.7435 -4.7694 -4.7694 -4.5662 -4.5662 -0.4873 -0.4873 2.9673 2.9673 3.1351 3.1351 3.6096 3.6096 5.1772 5.1772 5.4100 5.4100 8.7675 8.7675 13.5043 13.5043 13.7362 13.7362 14.3389 14.3389 k = 0.3506 0.5475-0.0000 ( 2526 PWs) bands (ev): -14.8223 -14.8223 -14.8150 -14.8150 -13.8159 -13.8159 -13.8026 -13.8026 -13.7436 -13.7436 -4.7402 -4.7402 -4.5833 -4.5833 -0.4984 -0.4984 3.0028 3.0028 3.1323 3.1323 3.5576 3.5576 5.1951 5.1951 5.3797 5.3797 8.7594 8.7594 13.5340 13.5340 13.7643 13.7643 14.4188 14.4188 k = 0.3448 0.5574-0.0000 ( 2526 PWs) bands (ev): -14.8220 -14.8220 -14.8153 -14.8153 -13.8151 -13.8151 -13.8034 -13.8034 -13.7437 -13.7437 -4.7113 -4.7113 -4.6032 -4.6032 -0.5068 -0.5068 3.0286 3.0286 3.1371 3.1371 3.5124 3.5124 5.2187 5.2187 5.3478 5.3478 8.7532 8.7532 13.5539 13.5539 13.7825 13.7825 14.4515 14.4515 k = 0.3391 0.5674-0.0000 ( 2524 PWs) bands (ev): -14.8217 -14.8217 -14.8155 -14.8155 -13.8145 -13.8145 -13.8039 -13.8039 -13.7437 -13.7437 -4.6833 -4.6833 -4.6256 -4.6256 -0.5121 -0.5121 3.0429 3.0429 3.1457 3.1457 3.4804 3.4804 5.2472 5.2472 5.3146 5.3146 8.7494 8.7494 13.5651 13.5651 13.7922 13.7922 14.4678 14.4678 k = 0.3333 0.5774-0.0000 ( 2520 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8143 -13.8143 -13.8041 -13.8041 -13.7437 -13.7437 -4.6628 -4.6628 -4.6442 -4.6442 -0.5139 -0.5139 3.0473 3.0473 3.1500 3.1500 3.4685 3.4685 5.2776 5.2776 5.2827 5.2827 8.7481 8.7481 13.5687 13.5687 13.7951 13.7951 14.4733 14.4733 k = 0.3333 0.5774-0.0000 ( 2520 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8143 -13.8143 -13.8041 -13.8041 -13.7437 -13.7437 -4.6628 -4.6628 -4.6442 -4.6442 -0.5139 -0.5139 3.0473 3.0473 3.1500 3.1500 3.4685 3.4685 5.2776 5.2776 5.2827 5.2827 8.7481 8.7481 13.5687 13.5687 13.7951 13.7951 14.4733 14.4733 k = 0.3276 0.5674-0.0000 ( 2520 PWs) bands (ev): -14.8217 -14.8217 -14.8155 -14.8155 -13.8145 -13.8145 -13.8039 -13.8039 -13.7437 -13.7437 -4.6845 -4.6845 -4.6245 -4.6245 -0.5120 -0.5120 3.0424 3.0424 3.1464 3.1464 3.4803 3.4803 5.2450 5.2450 5.3168 5.3168 8.7494 8.7494 13.5653 13.5653 13.7926 13.7926 14.4675 14.4675 k = 0.3218 0.5574-0.0000 ( 2526 PWs) bands (ev): -14.8220 -14.8220 -14.8153 -14.8153 -13.8150 -13.8150 -13.8035 -13.8035 -13.7437 -13.7437 -4.7165 -4.7165 -4.5985 -4.5985 -0.5061 -0.5061 3.0256 3.0256 3.1411 3.1411 3.5122 3.5122 5.2096 5.2096 5.3564 5.3564 8.7536 8.7536 13.5555 13.5555 13.7857 13.7857 14.4497 14.4497 k = 0.3161 0.5475-0.0000 ( 2526 PWs) bands (ev): -14.8223 -14.8223 -14.8150 -14.8150 -13.8157 -13.8157 -13.8027 -13.8027 -13.7437 -13.7437 -4.7522 -4.7522 -4.5731 -4.5731 -0.4960 -0.4960 2.9967 2.9967 3.1409 3.1409 3.5577 3.5577 5.1742 5.1742 5.3987 5.3987 8.7605 8.7605 13.5399 13.5399 13.7752 13.7752 14.4205 14.4205 k = 0.3103 0.5375-0.0000 ( 2530 PWs) bands (ev): -14.8227 -14.8227 -14.8147 -14.8147 -13.8166 -13.8166 -13.8019 -13.8019 -13.7436 -13.7436 -4.7912 -4.7912 -4.5486 -4.5486 -0.4815 -0.4815 2.9602 2.9602 3.1464 3.1464 3.6120 3.6120 5.1395 5.1395 5.4433 5.4433 8.7703 8.7703 13.5189 13.5189 13.7615 13.7615 14.3814 14.3814 k = 0.3046 0.5276-0.0000 ( 2530 PWs) bands (ev): -14.8231 -14.8231 -14.8143 -14.8143 -13.8175 -13.8175 -13.8009 -13.8009 -13.7436 -13.7436 -4.8334 -4.8334 -4.5255 -4.5255 -0.4626 -0.4626 2.9208 2.9208 3.1557 3.1557 3.6718 3.6718 5.1058 5.1058 5.4898 5.4898 8.7827 8.7827 13.4930 13.4930 13.7448 13.7448 14.3344 14.3344 k = 0.2989 0.5176-0.0000 ( 2524 PWs) bands (ev): -14.8236 -14.8236 -14.8139 -14.8139 -13.8184 -13.8184 -13.8000 -13.8000 -13.7436 -13.7436 -4.8785 -4.8785 -4.5038 -4.5038 -0.4393 -0.4393 2.8818 2.8818 3.1673 3.1673 3.7356 3.7356 5.0738 5.0738 5.5379 5.5379 8.7978 8.7978 13.4629 13.4629 13.7252 13.7252 14.2818 14.2818 k = 0.2931 0.5077-0.0000 ( 2524 PWs) bands (ev): -14.8240 -14.8240 -14.8135 -14.8135 -13.8193 -13.8193 -13.7990 -13.7990 -13.7436 -13.7436 -4.9264 -4.9264 -4.4838 -4.4838 -0.4114 -0.4114 2.8448 2.8448 3.1801 3.1801 3.8022 3.8022 5.0441 5.0441 5.5873 5.5873 8.8154 8.8154 13.4290 13.4290 13.7028 13.7028 14.2254 14.2254 k = 0.2874 0.4977-0.0000 ( 2526 PWs) bands (ev): -14.8245 -14.8245 -14.8131 -14.8131 -13.8202 -13.8202 -13.7980 -13.7980 -13.7436 -13.7436 -4.9770 -4.9770 -4.4654 -4.4654 -0.3791 -0.3791 2.8112 2.8112 3.1933 3.1933 3.8711 3.8711 5.0171 5.0171 5.6377 5.6377 8.8354 8.8354 13.3917 13.3917 13.6775 13.6775 14.1667 14.1667 k = 0.2816 0.4878-0.0000 ( 2526 PWs) bands (ev): -14.8249 -14.8249 -14.8127 -14.8127 -13.8210 -13.8210 -13.7971 -13.7971 -13.7436 -13.7436 -5.0301 -5.0301 -4.4490 -4.4490 -0.3425 -0.3425 2.7817 2.7817 3.2063 3.2063 3.9417 3.9417 4.9937 4.9937 5.6889 5.6889 8.8575 8.8575 13.3515 13.3515 13.6494 13.6494 14.1069 14.1069 k = 0.2759 0.4778-0.0000 ( 2528 PWs) bands (ev): -14.8254 -14.8254 -14.8123 -14.8123 -13.8218 -13.8218 -13.7962 -13.7962 -13.7437 -13.7437 -5.0854 -5.0854 -4.4346 -4.4346 -0.3017 -0.3017 2.7569 2.7569 3.2186 3.2186 4.0136 4.0136 4.9742 4.9742 5.7406 5.7406 8.8816 8.8816 13.3088 13.3088 13.6184 13.6184 14.0467 14.0467 k = 0.2701 0.4679-0.0000 ( 2530 PWs) bands (ev): -14.8258 -14.8258 -14.8119 -14.8119 -13.8225 -13.8225 -13.7954 -13.7954 -13.7438 -13.7438 -5.1427 -5.1427 -4.4223 -4.4223 -0.2568 -0.2568 2.7372 2.7372 3.2296 3.2296 4.0868 4.0868 4.9593 4.9593 5.7926 5.7926 8.9075 8.9075 13.2640 13.2640 13.5846 13.5846 13.9871 13.9871 k = 0.2644 0.4579-0.0000 ( 2530 PWs) bands (ev): -14.8262 -14.8262 -14.8115 -14.8115 -13.8231 -13.8231 -13.7945 -13.7945 -13.7439 -13.7439 -5.2018 -5.2018 -4.4121 -4.4121 -0.2082 -0.2082 2.7229 2.7229 3.2391 3.2391 4.1608 4.1608 4.9495 4.9495 5.8446 5.8446 8.9351 8.9351 13.2174 13.2174 13.5480 13.5480 13.9285 13.9285 k = 0.2586 0.4479-0.0000 ( 2530 PWs) bands (ev): -14.8266 -14.8266 -14.8112 -14.8112 -13.8237 -13.8237 -13.7938 -13.7938 -13.7441 -13.7441 -5.2625 -5.2625 -4.4043 -4.4043 -0.1559 -0.1559 2.7142 2.7142 3.2467 3.2467 4.2356 4.2356 4.9452 4.9452 5.8965 5.8965 8.9641 8.9641 13.1694 13.1694 13.5087 13.5087 13.8713 13.8713 k = 0.2529 0.4380-0.0000 ( 2532 PWs) bands (ev): -14.8269 -14.8269 -14.8109 -14.8109 -13.8242 -13.8242 -13.7931 -13.7931 -13.7443 -13.7443 -5.3244 -5.3244 -4.3987 -4.3987 -0.1004 -0.1004 2.7113 2.7113 3.2523 3.2523 4.3110 4.3110 4.9466 4.9466 5.9480 5.9480 8.9943 8.9943 13.1202 13.1202 13.4667 13.4667 13.8159 13.8159 k = 0.2471 0.4280-0.0000 ( 2536 PWs) bands (ev): -14.8272 -14.8272 -14.8106 -14.8106 -13.8246 -13.8246 -13.7924 -13.7924 -13.7445 -13.7445 -5.3875 -5.3875 -4.3955 -4.3955 -0.0419 -0.0419 2.7143 2.7143 3.2558 3.2558 4.3867 4.3867 4.9539 4.9539 5.9990 5.9990 9.0256 9.0256 13.0701 13.0701 13.4221 13.4221 13.7623 13.7623 k = 0.2414 0.4181-0.0000 ( 2544 PWs) bands (ev): -14.8275 -14.8275 -14.8103 -14.8103 -13.8249 -13.8249 -13.7918 -13.7918 -13.7449 -13.7449 -5.4515 -5.4515 -4.3946 -4.3946 0.0192 0.0192 2.7233 2.7233 3.2575 3.2575 4.4627 4.4627 4.9672 4.9672 6.0491 6.0491 9.0579 9.0579 13.0194 13.0194 13.3750 13.3750 13.7106 13.7106 k = 0.2356 0.4081-0.0000 ( 2544 PWs) bands (ev): -14.8278 -14.8278 -14.8100 -14.8100 -13.8251 -13.8251 -13.7912 -13.7912 -13.7452 -13.7452 -5.5160 -5.5160 -4.3961 -4.3961 0.0826 0.0826 2.7384 2.7384 3.2576 3.2576 4.5388 4.5388 4.9863 4.9863 6.0983 6.0983 9.0908 9.0908 12.9683 12.9683 13.3255 13.3255 13.6608 13.6608 k = 0.2299 0.3982-0.0000 ( 2548 PWs) bands (ev): -14.8280 -14.8280 -14.8098 -14.8098 -13.8253 -13.8253 -13.7906 -13.7906 -13.7457 -13.7457 -5.5811 -5.5811 -4.3999 -4.3999 0.1479 0.1479 2.7596 2.7596 3.2565 3.2565 4.6148 4.6148 5.0110 5.0110 6.1463 6.1463 9.1244 9.1244 12.9167 12.9167 13.2736 13.2736 13.6129 13.6129 k = 0.2241 0.3882-0.0000 ( 2556 PWs) bands (ev): -14.8283 -14.8283 -14.8096 -14.8096 -13.8253 -13.8253 -13.7901 -13.7901 -13.7461 -13.7461 -5.6463 -5.6463 -4.4059 -4.4059 0.2146 0.2146 2.7867 2.7867 3.2549 3.2549 4.6905 4.6905 5.0411 5.0411 6.1930 6.1930 9.1585 9.1585 12.8648 12.8648 13.2195 13.2195 13.5666 13.5666 k = 0.2184 0.3783-0.0000 ( 2550 PWs) bands (ev): -14.8285 -14.8285 -14.8094 -14.8094 -13.8253 -13.8253 -13.7897 -13.7897 -13.7467 -13.7467 -5.7116 -5.7116 -4.4142 -4.4142 0.2823 0.2823 2.8199 2.8199 3.2532 3.2532 4.7659 4.7659 5.0761 5.0761 6.2382 6.2382 9.1929 9.1929 12.8125 12.8125 13.1634 13.1634 13.5221 13.5221 k = 0.2126 0.3683-0.0000 ( 2546 PWs) bands (ev): -14.8286 -14.8286 -14.8092 -14.8092 -13.8253 -13.8253 -13.7893 -13.7893 -13.7473 -13.7473 -5.7767 -5.7767 -4.4245 -4.4245 0.3505 0.3505 2.8589 2.8589 3.2524 3.2524 4.8407 4.8407 5.1156 5.1156 6.2817 6.2817 9.2276 9.2276 12.7596 12.7596 13.1052 13.1052 13.4793 13.4793 k = 0.2069 0.3584-0.0000 ( 2541 PWs) bands (ev): -14.8288 -14.8288 -14.8090 -14.8090 -13.8251 -13.8251 -13.7889 -13.7889 -13.7479 -13.7479 -5.8416 -5.8416 -4.4369 -4.4369 0.4186 0.4186 2.9036 2.9036 3.2532 3.2532 4.9149 4.9149 5.1590 5.1590 6.3234 6.3234 9.2625 9.2625 12.7059 12.7059 13.0453 13.0453 13.4382 13.4382 k = 0.2011 0.3484-0.0000 ( 2545 PWs) bands (ev): -14.8289 -14.8289 -14.8088 -14.8088 -13.8249 -13.8249 -13.7886 -13.7886 -13.7486 -13.7486 -5.9059 -5.9059 -4.4512 -4.4512 0.4861 0.4861 2.9539 2.9539 3.2565 3.2565 4.9883 4.9883 5.2059 5.2059 6.3632 6.3632 9.2975 9.2975 12.6511 12.6511 12.9836 12.9836 13.3989 13.3989 k = 0.1954 0.3384-0.0000 ( 2545 PWs) bands (ev): -14.8290 -14.8290 -14.8087 -14.8087 -13.8247 -13.8247 -13.7882 -13.7882 -13.7493 -13.7493 -5.9697 -5.9697 -4.4673 -4.4673 0.5523 0.5523 3.0094 3.0094 3.2633 3.2633 5.0607 5.0607 5.2558 5.2558 6.4010 6.4010 9.3324 9.3324 12.5951 12.5951 12.9203 12.9203 13.3615 13.3615 k = 0.1897 0.3285-0.0000 ( 2547 PWs) bands (ev): -14.8291 -14.8291 -14.8085 -14.8085 -13.8243 -13.8243 -13.7879 -13.7879 -13.7501 -13.7501 -6.0326 -6.0326 -4.4850 -4.4850 0.6166 0.6166 3.0697 3.0697 3.2747 3.2747 5.1320 5.1320 5.3081 5.3081 6.4366 6.4366 9.3673 9.3673 12.5375 12.5375 12.8555 12.8555 13.3261 13.3261 k = 0.1839 0.3185-0.0000 ( 2547 PWs) bands (ev): -14.8292 -14.8292 -14.8084 -14.8084 -13.8240 -13.8240 -13.7877 -13.7877 -13.7509 -13.7509 -6.0947 -6.0947 -4.5042 -4.5042 0.6785 0.6785 3.1341 3.1341 3.2921 3.2921 5.2021 5.2021 5.3624 5.3624 6.4700 6.4700 9.4021 9.4021 12.4782 12.4782 12.7894 12.7894 13.2927 13.2927 k = 0.1782 0.3086-0.0000 ( 2549 PWs) bands (ev): -14.8293 -14.8293 -14.8082 -14.8082 -13.8236 -13.8236 -13.7874 -13.7874 -13.7517 -13.7517 -6.1558 -6.1558 -4.5247 -4.5247 0.7373 0.7373 3.2010 3.2010 3.3176 3.3176 5.2709 5.2709 5.4181 5.4181 6.5011 6.5011 9.4366 9.4366 12.4170 12.4170 12.7221 12.7221 13.2611 13.2611 k = 0.1724 0.2986-0.0000 ( 2553 PWs) bands (ev): -14.8294 -14.8294 -14.8081 -14.8081 -13.8232 -13.8232 -13.7872 -13.7872 -13.7526 -13.7526 -6.2157 -6.2157 -4.5464 -4.5464 0.7924 0.7924 3.2667 3.2667 3.3553 3.3553 5.3381 5.3381 5.4749 5.4749 6.5300 6.5300 9.4708 9.4708 12.3538 12.3538 12.6538 12.6538 13.2314 13.2314 k = 0.1667 0.2887-0.0000 ( 2557 PWs) bands (ev): -14.8295 -14.8295 -14.8079 -14.8079 -13.8227 -13.8227 -13.7869 -13.7869 -13.7535 -13.7535 -6.2744 -6.2744 -4.5692 -4.5692 0.8434 0.8434 3.3258 3.3258 3.4112 3.4112 5.4038 5.4038 5.5322 5.5322 6.5566 6.5566 9.5044 9.5044 12.2887 12.2887 12.5847 12.5847 13.2030 13.2030 k = 0.1609 0.2787-0.0000 ( 2561 PWs) bands (ev): -14.8296 -14.8296 -14.8078 -14.8078 -13.8223 -13.8223 -13.7867 -13.7867 -13.7544 -13.7544 -6.3317 -6.3317 -4.5928 -4.5928 0.8899 0.8899 3.3791 3.3791 3.4848 3.4848 5.4677 5.4677 5.5897 5.5897 6.5809 6.5809 9.5372 9.5372 12.2219 12.2219 12.5149 12.5149 13.1754 13.1754 k = 0.1552 0.2688-0.0000 ( 2565 PWs) bands (ev): -14.8297 -14.8297 -14.8077 -14.8077 -13.8218 -13.8218 -13.7864 -13.7864 -13.7553 -13.7553 -6.3877 -6.3877 -4.6171 -4.6171 0.9315 0.9315 3.4331 3.4331 3.5695 3.5695 5.5298 5.5298 5.6469 5.6469 6.6029 6.6029 9.5690 9.5690 12.1535 12.1535 12.4447 12.4447 13.1482 13.1482 k = 0.1494 0.2588-0.0000 ( 2565 PWs) bands (ev): -14.8298 -14.8298 -14.8075 -14.8075 -13.8214 -13.8214 -13.7861 -13.7861 -13.7562 -13.7562 -6.4421 -6.4421 -4.6420 -4.6420 0.9681 0.9681 3.4922 3.4922 3.6610 3.6610 5.5899 5.5899 5.7036 5.7036 6.6227 6.6227 9.5994 9.5994 12.0838 12.0838 12.3744 12.3744 13.1205 13.1205 k = 0.1437 0.2489-0.0000 ( 2561 PWs) bands (ev): -14.8299 -14.8299 -14.8074 -14.8074 -13.8210 -13.8210 -13.7859 -13.7859 -13.7571 -13.7571 -6.4950 -6.4950 -4.6673 -4.6673 0.9996 0.9996 3.5579 3.5579 3.7575 3.7575 5.6480 5.6480 5.7593 5.7593 6.6405 6.6405 9.6279 9.6279 12.0133 12.0133 12.3043 12.3043 13.0916 13.0916 k = 0.1379 0.2389-0.0000 ( 2561 PWs) bands (ev): -14.8300 -14.8300 -14.8072 -14.8072 -13.8206 -13.8206 -13.7855 -13.7855 -13.7580 -13.7580 -6.5462 -6.5462 -4.6928 -4.6928 1.0262 1.0262 3.6307 3.6307 3.8581 3.8581 5.7039 5.7039 5.8139 5.8139 6.6562 6.6562 9.6538 9.6538 11.9424 11.9424 12.2346 12.2346 13.0609 13.0609 k = 0.1322 0.2289-0.0000 ( 2563 PWs) bands (ev): -14.8302 -14.8302 -14.8071 -14.8071 -13.8202 -13.8202 -13.7852 -13.7852 -13.7589 -13.7589 -6.5957 -6.5957 -4.7184 -4.7184 1.0480 1.0480 3.7107 3.7107 3.9623 3.9623 5.7576 5.7576 5.8669 5.8669 6.6699 6.6699 9.6764 9.6764 11.8715 11.8715 12.1659 12.1659 13.0276 13.0276 k = 0.1264 0.2190-0.0000 ( 2567 PWs) bands (ev): -14.8303 -14.8303 -14.8069 -14.8069 -13.8199 -13.8199 -13.7848 -13.7848 -13.7597 -13.7597 -6.6435 -6.6435 -4.7440 -4.7440 1.0654 1.0654 3.7976 3.7976 4.0695 4.0695 5.8090 5.8090 5.9182 5.9182 6.6819 6.6819 9.6947 9.6947 11.8009 11.8009 12.0987 12.0987 12.9912 12.9912 k = 0.1207 0.2090-0.0000 ( 2567 PWs) bands (ev): -14.8305 -14.8305 -14.8068 -14.8068 -13.8197 -13.8197 -13.7844 -13.7844 -13.7606 -13.7606 -6.6894 -6.6894 -4.7694 -4.7694 1.0787 1.0787 3.8910 3.8910 4.1795 4.1795 5.8580 5.8580 5.9676 5.9676 6.6922 6.6922 9.7078 9.7078 11.7310 11.7310 12.0338 12.0338 12.9515 12.9515 k = 0.1149 0.1991-0.0000 ( 2567 PWs) bands (ev): -14.8306 -14.8306 -14.8066 -14.8066 -13.8195 -13.8195 -13.7839 -13.7839 -13.7614 -13.7614 -6.7334 -6.7334 -4.7945 -4.7945 1.0883 1.0883 3.9905 3.9905 4.2917 4.2917 5.9046 5.9046 6.0147 6.0147 6.7009 6.7009 9.7144 9.7144 11.6618 11.6618 11.9724 11.9724 12.9083 12.9083 k = 0.1092 0.1891-0.0000 ( 2567 PWs) bands (ev): -14.8308 -14.8308 -14.8065 -14.8065 -13.8194 -13.8194 -13.7834 -13.7834 -13.7621 -13.7621 -6.7756 -6.7756 -4.8191 -4.8191 1.0947 1.0947 4.0955 4.0955 4.4058 4.4058 5.9486 5.9486 6.0596 6.0596 6.7082 6.7082 9.7134 9.7134 11.5929 11.5929 11.9158 11.9158 12.8619 12.8619 k = 0.1034 0.1792-0.0000 ( 2569 PWs) bands (ev): -14.8310 -14.8310 -14.8063 -14.8063 -13.8193 -13.8193 -13.7829 -13.7829 -13.7629 -13.7629 -6.8157 -6.8157 -4.8432 -4.8432 1.0984 1.0984 4.2054 4.2054 4.5215 4.5215 5.9901 5.9901 6.1019 6.1019 6.7142 6.7142 9.7035 9.7035 11.5237 11.5237 11.8659 11.8659 12.8127 12.8127 k = 0.0977 0.1692-0.0000 ( 2573 PWs) bands (ev): -14.8312 -14.8312 -14.8061 -14.8061 -13.8193 -13.8193 -13.7823 -13.7823 -13.7636 -13.7636 -6.8539 -6.8539 -4.8666 -4.8666 1.0997 1.0997 4.3195 4.3195 4.6381 4.6381 6.0291 6.0291 6.1417 6.1417 6.7191 6.7191 9.6840 9.6840 11.4531 11.4531 11.8245 11.8245 12.7614 12.7614 k = 0.0920 0.1593-0.0000 ( 2573 PWs) bands (ev): -14.8314 -14.8314 -14.8060 -14.8060 -13.8194 -13.8194 -13.7817 -13.7817 -13.7642 -13.7642 -6.8901 -6.8901 -4.8893 -4.8893 1.0990 1.0990 4.4372 4.4372 4.7554 4.7554 6.0655 6.0655 6.1787 6.1787 6.7230 6.7230 9.6541 9.6541 11.3800 11.3800 11.7933 11.7933 12.7087 12.7087 k = 0.0862 0.1493-0.0000 ( 2569 PWs) bands (ev): -14.8316 -14.8316 -14.8058 -14.8058 -13.8195 -13.8195 -13.7811 -13.7811 -13.7648 -13.7648 -6.9242 -6.9242 -4.9110 -4.9110 1.0968 1.0968 4.5577 4.5577 4.8727 4.8727 6.0993 6.0993 6.2129 6.2129 6.7260 6.7260 9.6136 9.6136 11.3038 11.3038 11.7732 11.7732 12.6559 12.6559 k = 0.0805 0.1394-0.0000 ( 2569 PWs) bands (ev): -14.8318 -14.8318 -14.8056 -14.8056 -13.8196 -13.8196 -13.7804 -13.7804 -13.7654 -13.7654 -6.9562 -6.9562 -4.9318 -4.9318 1.0934 1.0934 4.6805 4.6805 4.9895 4.9895 6.1306 6.1306 6.2441 6.2441 6.7283 6.7283 9.5630 9.5630 11.2242 11.2242 11.7642 11.7642 12.6039 12.6039 k = 0.0747 0.1294-0.0000 ( 2569 PWs) bands (ev): -14.8320 -14.8320 -14.8055 -14.8055 -13.8198 -13.8198 -13.7798 -13.7798 -13.7660 -13.7660 -6.9861 -6.9861 -4.9515 -4.9515 1.0890 1.0890 4.8046 4.8046 5.1051 5.1051 6.1594 6.1594 6.2724 6.2724 6.7299 6.7299 9.5029 9.5029 11.1415 11.1415 11.7656 11.7656 12.5537 12.5537 k = 0.0690 0.1195-0.0000 ( 2577 PWs) bands (ev): -14.8322 -14.8322 -14.8053 -14.8053 -13.8200 -13.8200 -13.7791 -13.7791 -13.7665 -13.7665 -7.0138 -7.0138 -4.9701 -4.9701 1.0841 1.0841 4.9294 4.9294 5.2190 5.2190 6.1857 6.1857 6.2976 6.2976 6.7310 6.7310 9.4346 9.4346 11.0564 11.0564 11.7759 11.7759 12.5066 12.5066 k = 0.0632 0.1095-0.0000 ( 2577 PWs) bands (ev): -14.8324 -14.8324 -14.8052 -14.8052 -13.8202 -13.8202 -13.7785 -13.7785 -13.7669 -13.7669 -7.0394 -7.0394 -4.9874 -4.9874 1.0787 1.0787 5.0539 5.0539 5.3302 5.3302 6.2097 6.2097 6.3196 6.3196 6.7317 6.7317 9.3595 9.3595 10.9699 10.9699 11.7931 11.7931 12.4634 12.4634 k = 0.0575 0.0995-0.0000 ( 2569 PWs) bands (ev): -14.8326 -14.8326 -14.8050 -14.8050 -13.8204 -13.8204 -13.7779 -13.7779 -13.7673 -13.7673 -7.0629 -7.0629 -5.0035 -5.0035 1.0732 1.0732 5.1772 5.1772 5.4381 5.4381 6.2313 6.2313 6.3382 6.3382 6.7319 6.7319 9.2794 9.2794 10.8833 10.8833 11.8152 11.8152 12.4252 12.4252 k = 0.0517 0.0896-0.0000 ( 2569 PWs) bands (ev): -14.8328 -14.8328 -14.8049 -14.8049 -13.8207 -13.8207 -13.7773 -13.7773 -13.7677 -13.7677 -7.0841 -7.0841 -5.0182 -5.0182 1.0677 1.0677 5.2982 5.2982 5.5417 5.5417 6.2506 6.2506 6.3534 6.3534 6.7318 6.7318 9.1962 9.1962 10.7978 10.7978 11.8399 11.8399 12.3926 12.3926 k = 0.0460 0.0796-0.0000 ( 2569 PWs) bands (ev): -14.8330 -14.8330 -14.8048 -14.8048 -13.8209 -13.8209 -13.7768 -13.7768 -13.7680 -13.7680 -7.1032 -7.1032 -5.0315 -5.0315 1.0624 1.0624 5.4155 5.4155 5.6401 5.6401 6.2678 6.2678 6.3649 6.3649 6.7313 6.7313 9.1119 9.1119 10.7150 10.7150 11.8649 11.8649 12.3666 12.3666 k = 0.0402 0.0697-0.0000 ( 2569 PWs) bands (ev): -14.8332 -14.8332 -14.8047 -14.8047 -13.8211 -13.8211 -13.7763 -13.7763 -13.7683 -13.7683 -7.1200 -7.1200 -5.0434 -5.0434 1.0573 1.0573 5.5277 5.5277 5.7324 5.7324 6.2828 6.2828 6.3725 6.3725 6.7307 6.7307 9.0289 9.0289 10.6365 10.6365 11.8881 11.8881 12.3474 12.3474 k = 0.0345 0.0597-0.0000 ( 2571 PWs) bands (ev): -14.8333 -14.8333 -14.8046 -14.8046 -13.8213 -13.8213 -13.7759 -13.7759 -13.7686 -13.7686 -7.1346 -7.1346 -5.0538 -5.0538 1.0528 1.0528 5.6330 5.6330 5.8177 5.8177 6.2958 6.2958 6.3759 6.3759 6.7298 6.7298 8.9493 8.9493 10.5638 10.5638 11.9080 11.9080 12.3352 12.3352 k = 0.0287 0.0498-0.0000 ( 2567 PWs) bands (ev): -14.8334 -14.8334 -14.8045 -14.8045 -13.8215 -13.8215 -13.7755 -13.7755 -13.7688 -13.7688 -7.1470 -7.1470 -5.0626 -5.0626 1.0488 1.0488 5.7289 5.7289 5.8955 5.8955 6.3066 6.3066 6.3751 6.3751 6.7287 6.7287 8.8758 8.8758 10.4987 10.4987 11.9235 11.9235 12.3294 12.3294 k = 0.0230 0.0398-0.0000 ( 2563 PWs) bands (ev): -14.8335 -14.8335 -14.8045 -14.8045 -13.8217 -13.8217 -13.7752 -13.7752 -13.7689 -13.7689 -7.1572 -7.1572 -5.0699 -5.0699 1.0454 1.0454 5.8126 5.8126 5.9653 5.9653 6.3149 6.3149 6.3702 6.3702 6.7276 6.7276 8.8107 8.8107 10.4427 10.4427 11.9346 11.9346 12.3286 12.3286 k = 0.0172 0.0299-0.0000 ( 2559 PWs) bands (ev): -14.8336 -14.8336 -14.8044 -14.8044 -13.8218 -13.8218 -13.7749 -13.7749 -13.7691 -13.7691 -7.1650 -7.1650 -5.0756 -5.0756 1.0427 1.0427 5.8810 5.8810 6.0269 6.0269 6.3195 6.3195 6.3624 6.3624 6.7265 6.7265 8.7566 8.7566 10.3974 10.3974 11.9417 11.9417 12.3309 12.3309 k = 0.0115 0.0199-0.0000 ( 2559 PWs) bands (ev): -14.8337 -14.8337 -14.8044 -14.8044 -13.8219 -13.8219 -13.7747 -13.7747 -13.7692 -13.7692 -7.1707 -7.1707 -5.0797 -5.0797 1.0407 1.0407 5.9311 5.9311 6.0788 6.0788 6.3181 6.3181 6.3552 6.3552 6.7255 6.7255 8.7160 8.7160 10.3640 10.3640 11.9459 11.9459 12.3343 12.3343 k = 0.0057 0.0100-0.0000 ( 2555 PWs) bands (ev): -14.8337 -14.8337 -14.8044 -14.8044 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1741 -7.1741 -5.0821 -5.0821 1.0395 1.0395 5.9613 5.9613 6.1163 6.1163 6.3109 6.3109 6.3519 6.3519 6.7249 6.7249 8.6907 8.6907 10.3436 10.3436 11.9480 11.9480 12.3372 12.3372 k = 0.0000 0.0000 0.0000 ( 2551 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1752 -7.1752 -5.0829 -5.0829 1.0391 1.0391 5.9714 5.9714 6.1307 6.1307 6.3062 6.3062 6.3513 6.3513 6.7247 6.7247 8.6822 8.6822 10.3367 10.3367 11.9486 11.9486 12.3382 12.3382 k = 0.0000 0.0000 0.0000 ( 2551 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1752 -7.1752 -5.0829 -5.0829 1.0391 1.0391 5.9714 5.9714 6.1307 6.1307 6.3062 6.3062 6.3513 6.3513 6.7247 6.7247 8.6822 8.6822 10.3367 10.3367 11.9486 11.9486 12.3382 12.3382 k = 0.0000 0.0000 0.0115 ( 2551 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1747 -7.1747 -5.0842 -5.0842 1.0420 1.0420 5.9709 5.9709 6.1302 6.1302 6.3068 6.3068 6.3520 6.3520 6.7163 6.7163 8.6888 8.6888 10.3370 10.3370 11.9477 11.9477 12.3373 12.3373 k = 0.0000 0.0000 0.0230 ( 2557 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1732 -7.1732 -5.0879 -5.0879 1.0507 1.0507 5.9695 5.9695 6.1288 6.1288 6.3085 6.3085 6.3539 6.3539 6.6914 6.6914 8.7083 8.7083 10.3378 10.3378 11.9450 11.9450 12.3344 12.3344 k = 0.0000 0.0000 0.0345 ( 2557 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1707 -7.1707 -5.0940 -5.0940 1.0652 1.0652 5.9671 5.9671 6.1264 6.1264 6.3113 6.3113 6.3571 6.3571 6.6513 6.6513 8.7395 8.7395 10.3391 10.3391 11.9406 11.9406 12.3296 12.3296 k = 0.0000 0.0000 0.0459 ( 2563 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1672 -7.1672 -5.1024 -5.1024 1.0852 1.0852 5.9639 5.9639 6.1232 6.1232 6.3151 6.3151 6.3614 6.3614 6.5975 6.5975 8.7809 8.7809 10.3410 10.3410 11.9345 11.9345 12.3230 12.3230 k = 0.0000 0.0000 0.0574 ( 2557 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1628 -7.1628 -5.1131 -5.1131 1.1108 1.1108 5.9597 5.9597 6.1193 6.1193 6.3199 6.3199 6.3666 6.3666 6.5321 6.5321 8.8307 8.8307 10.3433 10.3433 11.9268 11.9268 12.3148 12.3148 k = 0.0000 0.0000 0.0689 ( 2557 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1575 -7.1575 -5.1258 -5.1258 1.1416 1.1416 5.9545 5.9545 6.1149 6.1149 6.3253 6.3253 6.3727 6.3727 6.4572 6.4572 8.8869 8.8869 10.3461 10.3461 11.9176 11.9176 12.3050 12.3050 k = 0.0000 0.0000 0.0804 ( 2563 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1514 -7.1514 -5.1404 -5.1404 1.1774 1.1774 5.9482 5.9482 6.1101 6.1101 6.3306 6.3306 6.3756 6.3756 6.3794 6.3794 8.9479 8.9479 10.3492 10.3492 11.9072 11.9072 12.2938 12.2938 k = 0.0000 0.0000 0.0919 ( 2551 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1444 -7.1444 -5.1568 -5.1568 1.2181 1.2181 5.9403 5.9403 6.1049 6.1049 6.2849 6.2849 6.3402 6.3402 6.3867 6.3867 9.0122 9.0122 10.3527 10.3527 11.8956 11.8956 12.2813 12.2813 k = 0.0000 0.0000 0.1034 ( 2551 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1367 -7.1367 -5.1747 -5.1747 1.2632 1.2632 5.9296 5.9296 6.0996 6.0996 6.1951 6.1951 6.3468 6.3468 6.3943 6.3943 9.0783 9.0783 10.3564 10.3564 11.8830 11.8830 12.2679 12.2679 k = 0.0000 0.0000 0.1148 ( 2551 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1284 -7.1284 -5.1938 -5.1938 1.3124 1.3124 5.9126 5.9126 6.0942 6.0942 6.1070 6.1070 6.3543 6.3543 6.4022 6.4022 9.1452 9.1452 10.3604 10.3604 11.8697 11.8697 12.2536 12.2536 k = 0.0000 0.0000 0.1263 ( 2539 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1194 -7.1194 -5.2140 -5.2140 1.3653 1.3653 5.8798 5.8798 6.0318 6.0318 6.0888 6.0888 6.3622 6.3622 6.4102 6.4102 9.2120 9.2120 10.3645 10.3645 11.8558 11.8558 12.2388 12.2388 k = 0.0000 0.0000 0.1378 ( 2545 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1101 -7.1101 -5.2350 -5.2350 1.4214 1.4214 5.8172 5.8172 5.9846 5.9846 6.0835 6.0835 6.3702 6.3702 6.4182 6.4182 9.2777 9.2777 10.3687 10.3687 11.8416 11.8416 12.2235 12.2235 k = 0.0000 0.0000 0.1493 ( 2544 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.1003 -7.1003 -5.2565 -5.2565 1.4803 1.4803 5.7304 5.7304 5.9610 5.9610 6.0783 6.0783 6.3782 6.3782 6.4262 6.4262 9.3418 9.3418 10.3728 10.3728 11.8272 11.8272 12.2080 12.2080 k = 0.0000 0.0000 0.1608 ( 2544 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.0903 -7.0903 -5.2782 -5.2782 1.5414 1.5414 5.6336 5.6336 5.9477 5.9477 6.0733 6.0733 6.3861 6.3861 6.4340 6.4340 9.4037 9.4037 10.3769 10.3769 11.8128 11.8128 12.1926 12.1926 k = 0.0000 0.0000 0.1723 ( 2544 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.0802 -7.0802 -5.2999 -5.2999 1.6041 1.6041 5.5340 5.5340 5.9385 5.9385 6.0685 6.0685 6.3938 6.3938 6.4416 6.4416 9.4629 9.4629 10.3808 10.3808 11.7986 11.7986 12.1773 12.1773 k = 0.0000 0.0000 0.1837 ( 2544 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.0700 -7.0700 -5.3212 -5.3212 1.6677 1.6677 5.4345 5.4345 5.9314 5.9314 6.0640 6.0640 6.4012 6.4012 6.4488 6.4488 9.5189 9.5189 10.3844 10.3844 11.7849 11.7849 12.1626 12.1626 k = 0.0000 0.0000 0.1952 ( 2550 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.0601 -7.0601 -5.3419 -5.3419 1.7313 1.7313 5.3369 5.3369 5.9255 5.9255 6.0598 6.0598 6.4083 6.4083 6.4556 6.4556 9.5713 9.5713 10.3878 10.3878 11.7717 11.7717 12.1484 12.1484 k = 0.0000 0.0000 0.2067 ( 2550 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7692 -13.7692 -7.0504 -7.0504 -5.3617 -5.3617 1.7942 1.7942 5.2428 5.2428 5.9205 5.9205 6.0560 6.0560 6.4149 6.4149 6.4620 6.4620 9.6199 9.6199 10.3909 10.3909 11.7593 11.7593 12.1350 12.1350 k = 0.0000 0.0000 0.2182 ( 2562 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7691 -13.7691 -7.0412 -7.0412 -5.3803 -5.3803 1.8554 1.8554 5.1533 5.1533 5.9162 5.9162 6.0525 6.0525 6.4211 6.4211 6.4679 6.4679 9.6643 9.6643 10.3935 10.3935 11.7477 11.7477 12.1226 12.1226 k = 0.0000 0.0000 0.2297 ( 2568 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7691 -13.7691 -7.0326 -7.0326 -5.3974 -5.3974 1.9138 1.9138 5.0696 5.0696 5.9124 5.9124 6.0493 6.0493 6.4266 6.4266 6.4732 6.4732 9.7042 9.7042 10.3958 10.3958 11.7373 11.7373 12.1112 12.1112 k = 0.0000 0.0000 0.2412 ( 2562 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7691 -13.7691 -7.0248 -7.0248 -5.4129 -5.4129 1.9682 1.9682 4.9932 4.9932 5.9092 5.9092 6.0466 6.0466 6.4316 6.4316 6.4779 6.4779 9.7394 9.7394 10.3977 10.3977 11.7279 11.7279 12.1012 12.1012 k = 0.0000 0.0000 0.2527 ( 2574 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7691 -13.7691 -7.0179 -7.0179 -5.4264 -5.4264 2.0174 2.0174 4.9253 4.9253 5.9065 5.9065 6.0442 6.0442 6.4358 6.4358 6.4819 6.4819 9.7697 9.7697 10.3991 10.3991 11.7198 11.7198 12.0924 12.0924 k = 0.0000 0.0000 0.2641 ( 2574 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7691 -13.7691 -7.0120 -7.0120 -5.4378 -5.4378 2.0600 2.0600 4.8673 4.8673 5.9043 5.9043 6.0423 6.0423 6.4394 6.4394 6.4852 6.4852 9.7948 9.7948 10.4003 10.4003 11.7131 11.7131 12.0851 12.0851 k = 0.0000 0.0000 0.2756 ( 2574 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7691 -13.7691 -7.0073 -7.0073 -5.4468 -5.4468 2.0948 2.0948 4.8204 4.8204 5.9025 5.9025 6.0408 6.0408 6.4421 6.4421 6.4879 6.4879 9.8145 9.8145 10.4011 10.4011 11.7078 11.7078 12.0794 12.0794 k = 0.0000 0.0000 0.2871 ( 2574 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7691 -13.7691 -7.0039 -7.0039 -5.4534 -5.4534 2.1206 2.1206 4.7860 4.7860 5.9013 5.9013 6.0397 6.0397 6.4442 6.4442 6.4898 6.4898 9.8288 9.8288 10.4016 10.4016 11.7039 11.7039 12.0752 12.0752 k = 0.0000 0.0000 0.2986 ( 2568 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7691 -13.7691 -7.0018 -7.0018 -5.4574 -5.4574 2.1366 2.1366 4.7649 4.7649 5.9006 5.9006 6.0391 6.0391 6.4454 6.4454 6.4909 6.4909 9.8374 9.8374 10.4019 10.4019 11.7016 11.7016 12.0727 12.0727 k = 0.0000 0.0000 0.3101 ( 2556 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7691 -13.7691 -7.0011 -7.0011 -5.4587 -5.4587 2.1420 2.1420 4.7578 4.7578 5.9004 5.9004 6.0389 6.0389 6.4458 6.4458 6.4913 6.4913 9.8402 9.8402 10.4020 10.4020 11.7009 11.7009 12.0719 12.0719 k = 0.0000 0.0000 0.3101 ( 2556 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7691 -13.7691 -7.0011 -7.0011 -5.4587 -5.4587 2.1420 2.1420 4.7578 4.7578 5.9004 5.9004 6.0389 6.0389 6.4458 6.4458 6.4913 6.4913 9.8402 9.8402 10.4020 10.4020 11.7009 11.7009 12.0719 12.0719 k = 0.0100 0.0058 0.3101 ( 2556 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7747 -13.7747 -13.7691 -13.7691 -7.0000 -7.0000 -5.4578 -5.4578 2.1410 2.1410 4.7584 4.7584 5.8957 5.8957 6.0338 6.0338 6.4433 6.4433 6.4886 6.4886 9.8408 9.8408 10.4093 10.4093 11.7039 11.7039 12.0744 12.0744 k = 0.0200 0.0115 0.3101 ( 2560 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8218 -13.8218 -13.7748 -13.7748 -13.7690 -13.7690 -6.9966 -6.9966 -5.4551 -5.4551 2.1380 2.1380 4.7599 4.7599 5.8817 5.8817 6.0190 6.0190 6.4335 6.4335 6.4827 6.4827 9.8424 9.8424 10.4308 10.4308 11.7132 11.7132 12.0820 12.0820 k = 0.0300 0.0173 0.3101 ( 2552 PWs) bands (ev): -14.8336 -14.8336 -14.8044 -14.8044 -13.8218 -13.8218 -13.7750 -13.7750 -13.7690 -13.7690 -6.9909 -6.9909 -5.4505 -5.4505 2.1330 2.1330 4.7624 4.7624 5.8576 5.8576 5.9956 5.9956 6.4123 6.4123 6.4782 6.4782 9.8447 9.8447 10.4656 10.4656 11.7288 11.7288 12.0948 12.0948 k = 0.0400 0.0231 0.3101 ( 2552 PWs) bands (ev): -14.8335 -14.8335 -14.8044 -14.8044 -13.8216 -13.8216 -13.7752 -13.7752 -13.7688 -13.7688 -6.9831 -6.9831 -5.4442 -5.4442 2.1259 2.1259 4.7658 4.7658 5.8227 5.8227 5.9655 5.9655 6.3792 6.3792 6.4765 6.4765 9.8469 9.8469 10.5126 10.5126 11.7510 11.7510 12.1132 12.1132 k = 0.0500 0.0289 0.3101 ( 2552 PWs) bands (ev): -14.8334 -14.8334 -14.8045 -14.8045 -13.8215 -13.8215 -13.7756 -13.7756 -13.7687 -13.7687 -6.9729 -6.9729 -5.4360 -5.4360 2.1167 2.1167 4.7697 4.7697 5.7761 5.7761 5.9307 5.9307 6.3363 6.3363 6.4762 6.4762 9.8481 9.8481 10.5702 10.5702 11.7800 11.7800 12.1373 12.1373 k = 0.0600 0.0346 0.3101 ( 2552 PWs) bands (ev): -14.8333 -14.8333 -14.8046 -14.8046 -13.8213 -13.8213 -13.7759 -13.7759 -13.7684 -13.7684 -6.9605 -6.9605 -5.4261 -5.4261 2.1051 2.1051 4.7739 4.7739 5.7180 5.7180 5.8928 5.8928 6.2857 6.2857 6.4762 6.4762 9.8474 9.8474 10.6367 10.6367 11.8162 11.8162 12.1676 12.1676 k = 0.0700 0.0404 0.3101 ( 2552 PWs) bands (ev): -14.8332 -14.8332 -14.8047 -14.8047 -13.8211 -13.8211 -13.7764 -13.7764 -13.7682 -13.7682 -6.9459 -6.9459 -5.4145 -5.4145 2.0912 2.0912 4.7779 4.7779 5.6495 5.6495 5.8528 5.8528 6.2292 6.2292 6.4758 6.4758 9.8437 9.8437 10.7103 10.7103 11.8597 11.8597 12.2043 12.2043 k = 0.0800 0.0462 0.3101 ( 2552 PWs) bands (ev): -14.8330 -14.8330 -14.8048 -14.8048 -13.8209 -13.8209 -13.7769 -13.7769 -13.7679 -13.7679 -6.9291 -6.9291 -5.4012 -5.4012 2.0748 2.0748 4.7808 4.7808 5.5724 5.5724 5.8109 5.8109 6.1680 6.1680 6.4747 6.4747 9.8361 9.8361 10.7894 10.7894 11.9105 11.9105 12.2474 12.2474 k = 0.0900 0.0520 0.3101 ( 2552 PWs) bands (ev): -14.8328 -14.8328 -14.8049 -14.8049 -13.8206 -13.8206 -13.7774 -13.7774 -13.7676 -13.7676 -6.9101 -6.9101 -5.3862 -5.3862 2.0557 2.0557 4.7814 4.7814 5.4897 5.4897 5.7672 5.7672 6.1035 6.1035 6.4727 6.4727 9.8236 9.8236 10.8724 10.8724 11.9681 11.9681 12.2972 12.2972 k = 0.1000 0.0577 0.3101 ( 2552 PWs) bands (ev): -14.8326 -14.8326 -14.8050 -14.8050 -13.8204 -13.8204 -13.7780 -13.7780 -13.7672 -13.7672 -6.8888 -6.8888 -5.3696 -5.3696 2.0337 2.0337 4.7777 4.7777 5.4048 5.4048 5.7217 5.7217 6.0366 6.0366 6.4695 6.4695 9.8058 9.8058 10.9581 10.9581 12.0319 12.0319 12.3535 12.3535 k = 0.1100 0.0635 0.3101 ( 2554 PWs) bands (ev): -14.8324 -14.8324 -14.8052 -14.8052 -13.8202 -13.8202 -13.7787 -13.7787 -13.7667 -13.7667 -6.8654 -6.8654 -5.3514 -5.3514 2.0086 2.0086 4.7663 4.7663 5.3225 5.3225 5.6746 5.6746 5.9682 5.9682 6.4651 6.4651 9.7823 9.7823 11.0450 11.0450 12.1008 12.1008 12.4162 12.4162 k = 0.1200 0.0693 0.3101 ( 2562 PWs) bands (ev): -14.8322 -14.8322 -14.8053 -14.8053 -13.8200 -13.8200 -13.7793 -13.7793 -13.7663 -13.7663 -6.8399 -6.8399 -5.3318 -5.3318 1.9803 1.9803 4.7424 4.7424 5.2488 5.2488 5.6260 5.6260 5.8991 5.8991 6.4595 6.4595 9.7533 9.7533 11.1322 11.1322 12.1734 12.1734 12.4845 12.4845 k = 0.1300 0.0751 0.3101 ( 2562 PWs) bands (ev): -14.8320 -14.8320 -14.8054 -14.8054 -13.8198 -13.8198 -13.7800 -13.7800 -13.7657 -13.7657 -6.8122 -6.8122 -5.3106 -5.3106 1.9485 1.9485 4.7007 4.7007 5.1900 5.1900 5.5762 5.5762 5.8301 5.8301 6.4526 6.4526 9.7188 9.7188 11.2186 11.2186 12.2485 12.2485 12.5576 12.5576 k = 0.1400 0.0808 0.3101 ( 2566 PWs) bands (ev): -14.8318 -14.8318 -14.8056 -14.8056 -13.8196 -13.8196 -13.7807 -13.7807 -13.7652 -13.7652 -6.7824 -6.7824 -5.2881 -5.2881 1.9131 1.9131 4.6379 4.6379 5.1503 5.1503 5.5255 5.5255 5.7618 5.7618 6.4446 6.4446 9.6792 9.6792 11.3031 11.3031 12.3246 12.3246 12.6339 12.6339 k = 0.1500 0.0866 0.3101 ( 2570 PWs) bands (ev): -14.8316 -14.8316 -14.8058 -14.8058 -13.8195 -13.8195 -13.7813 -13.7813 -13.7645 -13.7645 -6.7505 -6.7505 -5.2643 -5.2643 1.8738 1.8738 4.5557 4.5557 5.1287 5.1287 5.4743 5.4743 5.6950 5.6950 6.4354 6.4354 9.6352 9.6352 11.3848 11.3848 12.4008 12.4008 12.7112 12.7112 k = 0.1600 0.0924 0.3101 ( 2570 PWs) bands (ev): -14.8315 -14.8315 -14.8059 -14.8059 -13.8194 -13.8194 -13.7820 -13.7820 -13.7638 -13.7638 -6.7165 -6.7165 -5.2392 -5.2392 1.8304 1.8304 4.4590 4.4590 5.1205 5.1205 5.4231 5.4231 5.6301 5.6301 6.4252 6.4252 9.5871 9.5871 11.4626 11.4626 12.4761 12.4761 12.7868 12.7868 k = 0.1700 0.0981 0.3101 ( 2570 PWs) bands (ev): -14.8313 -14.8313 -14.8061 -14.8061 -13.8194 -13.8194 -13.7826 -13.7826 -13.7631 -13.7631 -6.6805 -6.6805 -5.2130 -5.2130 1.7829 1.7829 4.3528 4.3528 5.1208 5.1208 5.3728 5.3728 5.5678 5.5678 6.4140 6.4140 9.5357 9.5357 11.5355 11.5355 12.5498 12.5498 12.8577 12.8577 k = 0.1800 0.1039 0.3101 ( 2570 PWs) bands (ev): -14.8311 -14.8311 -14.8062 -14.8062 -13.8195 -13.8195 -13.7832 -13.7832 -13.7623 -13.7623 -6.6426 -6.6426 -5.1858 -5.1858 1.7312 1.7312 4.2408 4.2408 5.1245 5.1245 5.3249 5.3249 5.5090 5.5090 6.4019 6.4019 9.4816 9.4816 11.6023 11.6023 12.6213 12.6213 12.9213 12.9213 k = 0.1900 0.1097 0.3101 ( 2564 PWs) bands (ev): -14.8310 -14.8310 -14.8063 -14.8063 -13.8196 -13.8196 -13.7837 -13.7837 -13.7615 -13.7615 -6.6027 -6.6027 -5.1576 -5.1576 1.6751 1.6751 4.1257 4.1257 5.1263 5.1263 5.2820 5.2820 5.4548 5.4548 6.3890 6.3890 9.4252 9.4252 11.6621 11.6621 12.6897 12.6897 12.9757 12.9757 k = 0.2000 0.1155 0.3101 ( 2564 PWs) bands (ev): -14.8309 -14.8309 -14.8065 -14.8065 -13.8198 -13.8198 -13.7842 -13.7842 -13.7606 -13.7606 -6.5609 -6.5609 -5.1286 -5.1286 1.6148 1.6148 4.0091 4.0091 5.1185 5.1185 5.2490 5.2490 5.4074 5.4074 6.3754 6.3754 9.3671 9.3671 11.7139 11.7139 12.7539 12.7539 13.0204 13.0204 k = 0.2100 0.1212 0.3101 ( 2556 PWs) bands (ev): -14.8308 -14.8308 -14.8066 -14.8066 -13.8201 -13.8201 -13.7847 -13.7847 -13.7597 -13.7597 -6.5173 -6.5173 -5.0989 -5.0989 1.5501 1.5501 3.8922 3.8922 5.0949 5.0949 5.2272 5.2272 5.3708 5.3708 6.3612 6.3612 9.3079 9.3079 11.7569 11.7569 12.8124 12.8124 13.0569 13.0569 k = 0.2200 0.1270 0.3101 ( 2560 PWs) bands (ev): -14.8307 -14.8307 -14.8067 -14.8067 -13.8205 -13.8205 -13.7851 -13.7851 -13.7587 -13.7587 -6.4719 -6.4719 -5.0686 -5.0686 1.4814 1.4814 3.7759 3.7759 5.0585 5.0585 5.2072 5.2072 5.3516 5.3516 6.3466 6.3466 9.2479 9.2479 11.7906 11.7906 12.8628 12.8628 13.0883 13.0883 k = 0.2300 0.1328 0.3101 ( 2556 PWs) bands (ev): -14.8307 -14.8307 -14.8067 -14.8067 -13.8210 -13.8210 -13.7854 -13.7854 -13.7577 -13.7577 -6.4247 -6.4247 -5.0378 -5.0378 1.4087 1.4087 3.6607 3.6607 5.0159 5.0159 5.1802 5.1802 5.3516 5.3516 6.3315 6.3315 9.1876 9.1876 11.8147 11.8147 12.9024 12.9024 13.1188 13.1188 k = 0.2400 0.1386 0.3101 ( 2550 PWs) bands (ev): -14.8307 -14.8307 -14.8068 -14.8068 -13.8216 -13.8216 -13.7857 -13.7857 -13.7566 -13.7566 -6.3760 -6.3760 -5.0068 -5.0068 1.3324 1.3324 3.5472 3.5472 4.9711 4.9711 5.1475 5.1475 5.3654 5.3654 6.3162 6.3162 9.1273 9.1273 11.8296 11.8296 12.9291 12.9291 13.1521 13.1521 k = 0.2500 0.1443 0.3101 ( 2562 PWs) bands (ev): -14.8307 -14.8307 -14.8069 -14.8069 -13.8222 -13.8222 -13.7859 -13.7859 -13.7555 -13.7555 -6.3256 -6.3256 -4.9756 -4.9756 1.2527 1.2527 3.4357 3.4357 4.9259 4.9259 5.1134 5.1134 5.3871 5.3871 6.3006 6.3006 9.0673 9.0673 11.8356 11.8356 12.9427 12.9427 13.1894 13.1894 k = 0.2600 0.1501 0.3101 ( 2550 PWs) bands (ev): -14.8308 -14.8308 -14.8069 -14.8069 -13.8229 -13.8229 -13.7860 -13.7860 -13.7544 -13.7544 -6.2738 -6.2738 -4.9444 -4.9444 1.1701 1.1701 3.3264 3.3264 4.8810 4.8810 5.0803 5.0803 5.4132 5.4132 6.2850 6.2850 9.0081 9.0081 11.8337 11.8337 12.9450 12.9450 13.2294 13.2294 k = 0.2700 0.1559 0.3101 ( 2558 PWs) bands (ev): -14.8309 -14.8309 -14.8069 -14.8069 -13.8236 -13.8236 -13.7861 -13.7861 -13.7532 -13.7532 -6.2206 -6.2206 -4.9134 -4.9134 1.0851 1.0851 3.2195 3.2195 4.8369 4.8369 5.0493 5.0493 5.4419 5.4419 6.2693 6.2693 8.9497 8.9497 11.8249 11.8249 12.9382 12.9382 13.2703 13.2703 k = 0.2800 0.1617 0.3101 ( 2560 PWs) bands (ev): -14.8310 -14.8310 -14.8069 -14.8069 -13.8245 -13.8245 -13.7861 -13.7861 -13.7521 -13.7521 -6.1662 -6.1662 -4.8829 -4.8829 0.9981 0.9981 3.1153 3.1153 4.7937 4.7937 5.0211 5.0211 5.4723 5.4723 6.2537 6.2537 8.8925 8.8925 11.8103 11.8103 12.9240 12.9240 13.3104 13.3104 k = 0.2900 0.1674 0.3101 ( 2560 PWs) bands (ev): -14.8312 -14.8312 -14.8068 -14.8068 -13.8253 -13.8253 -13.7861 -13.7861 -13.7509 -13.7509 -6.1105 -6.1105 -4.8529 -4.8529 0.9097 0.9097 3.0139 3.0139 4.7517 4.7517 4.9959 4.9959 5.5038 5.5038 6.2383 6.2383 8.8367 8.8367 11.7911 11.7911 12.9035 12.9035 13.3485 13.3485 k = 0.3000 0.1732 0.3101 ( 2558 PWs) bands (ev): -14.8314 -14.8314 -14.8068 -14.8068 -13.8262 -13.8262 -13.7861 -13.7861 -13.7498 -13.7498 -6.0539 -6.0539 -4.8236 -4.8236 0.8203 0.8203 2.9154 2.9154 4.7108 4.7108 4.9738 4.9738 5.5358 5.5358 6.2230 6.2230 8.7825 8.7825 11.7683 11.7683 12.8775 12.8775 13.3840 13.3840 k = 0.3100 0.1790 0.3101 ( 2554 PWs) bands (ev): -14.8316 -14.8316 -14.8067 -14.8067 -13.8271 -13.8271 -13.7860 -13.7860 -13.7486 -13.7486 -5.9964 -5.9964 -4.7954 -4.7954 0.7306 0.7306 2.8201 2.8201 4.6714 4.6714 4.9546 4.9546 5.5682 5.5682 6.2082 6.2082 8.7300 8.7300 11.7431 11.7431 12.8466 12.8466 13.4161 13.4161 k = 0.3200 0.1848 0.3101 ( 2554 PWs) bands (ev): -14.8319 -14.8319 -14.8067 -14.8067 -13.8280 -13.8280 -13.7859 -13.7859 -13.7474 -13.7474 -5.9381 -5.9381 -4.7684 -4.7684 0.6412 0.6412 2.7279 2.7279 4.6333 4.6333 4.9383 4.9383 5.6005 5.6005 6.1936 6.1936 8.6795 8.6795 11.7162 11.7162 12.8114 12.8114 13.4441 13.4441 k = 0.3300 0.1905 0.3101 ( 2550 PWs) bands (ev): -14.8321 -14.8321 -14.8066 -14.8066 -13.8289 -13.8289 -13.7858 -13.7858 -13.7463 -13.7463 -5.8793 -5.8793 -4.7428 -4.7428 0.5526 0.5526 2.6391 2.6391 4.5968 4.5968 4.9247 4.9247 5.6327 5.6327 6.1796 6.1796 8.6310 8.6310 11.6883 11.6883 12.7726 12.7726 13.4661 13.4661 k = 0.3400 0.1963 0.3101 ( 2550 PWs) bands (ev): -14.8324 -14.8324 -14.8065 -14.8065 -13.8298 -13.8298 -13.7857 -13.7857 -13.7452 -13.7452 -5.8202 -5.8202 -4.7189 -4.7189 0.4653 0.4653 2.5539 2.5539 4.5619 4.5619 4.9134 4.9134 5.6643 5.6643 6.1660 6.1660 8.5847 8.5847 11.6602 11.6602 12.7309 12.7309 13.4768 13.4768 k = 0.3500 0.2021 0.3101 ( 2550 PWs) bands (ev): -14.8326 -14.8326 -14.8064 -14.8064 -13.8307 -13.8307 -13.7855 -13.7855 -13.7441 -13.7441 -5.7609 -5.7609 -4.6969 -4.6969 0.3801 0.3801 2.4724 2.4724 4.5287 4.5287 4.9044 4.9044 5.6952 5.6952 6.1530 6.1530 8.5407 8.5407 11.6323 11.6323 12.6871 12.6871 13.4653 13.4653 k = 0.3600 0.2078 0.3101 ( 2542 PWs) bands (ev): -14.8329 -14.8329 -14.8063 -14.8063 -13.8316 -13.8316 -13.7854 -13.7854 -13.7431 -13.7431 -5.7017 -5.7017 -4.6769 -4.6769 0.2973 0.2973 2.3948 2.3948 4.4973 4.4973 4.8974 4.8974 5.7252 5.7252 6.1406 6.1406 8.4991 8.4991 11.6051 11.6051 12.6420 12.6420 13.4318 13.4318 k = 0.3700 0.2136 0.3101 ( 2548 PWs) bands (ev): -14.8332 -14.8332 -14.8062 -14.8062 -13.8324 -13.8324 -13.7852 -13.7852 -13.7420 -13.7420 -5.6430 -5.6430 -4.6592 -4.6592 0.2176 0.2176 2.3213 2.3213 4.4678 4.4678 4.8921 4.8921 5.7541 5.7541 6.1289 6.1289 8.4601 8.4601 11.5788 11.5788 12.5963 12.5963 13.3901 13.3901 k = 0.3800 0.2194 0.3101 ( 2536 PWs) bands (ev): -14.8335 -14.8335 -14.8061 -14.8061 -13.8332 -13.8332 -13.7851 -13.7851 -13.7411 -13.7411 -5.5849 -5.5849 -4.6440 -4.6440 0.1414 0.1414 2.2521 2.2521 4.4402 4.4402 4.8883 4.8883 5.7818 5.7818 6.1179 6.1179 8.4236 8.4236 11.5538 11.5538 12.5509 12.5509 13.3474 13.3474 k = 0.3900 0.2252 0.3101 ( 2540 PWs) bands (ev): -14.8338 -14.8338 -14.8060 -14.8060 -13.8339 -13.8339 -13.7849 -13.7849 -13.7402 -13.7402 -5.5278 -5.5278 -4.6314 -4.6314 0.0694 0.0694 2.1874 2.1874 4.4146 4.4146 4.8857 4.8857 5.8079 5.8079 6.1077 6.1077 8.3899 8.3899 11.5303 11.5303 12.5064 12.5064 13.3060 13.3060 k = 0.4000 0.2309 0.3101 ( 2540 PWs) bands (ev): -14.8340 -14.8340 -14.8059 -14.8059 -13.8346 -13.8346 -13.7848 -13.7848 -13.7393 -13.7393 -5.4721 -5.4721 -4.6214 -4.6214 0.0018 0.0018 2.1274 2.1274 4.3910 4.3910 4.8841 4.8841 5.8323 5.8323 6.0983 6.0983 8.3589 8.3589 11.5084 11.5084 12.4636 12.4636 13.2671 13.2671 k = 0.4100 0.2367 0.3101 ( 2536 PWs) bands (ev): -14.8343 -14.8343 -14.8058 -14.8058 -13.8353 -13.8353 -13.7846 -13.7846 -13.7386 -13.7386 -5.4183 -5.4183 -4.6141 -4.6141 -0.0607 -0.0607 2.0723 2.0723 4.3696 4.3696 4.8834 4.8834 5.8549 5.8549 6.0897 6.0897 8.3307 8.3307 11.4883 11.4883 12.4230 12.4230 13.2310 13.2310 k = 0.4200 0.2425 0.3101 ( 2528 PWs) bands (ev): -14.8345 -14.8345 -14.8057 -14.8057 -13.8359 -13.8359 -13.7845 -13.7845 -13.7379 -13.7379 -5.3669 -5.3669 -4.6095 -4.6095 -0.1179 -0.1179 2.0224 2.0224 4.3502 4.3502 4.8833 4.8833 5.8756 5.8756 6.0820 6.0820 8.3054 8.3054 11.4701 11.4701 12.3853 12.3853 13.1982 13.1982 k = 0.4300 0.2483 0.3101 ( 2526 PWs) bands (ev): -14.8347 -14.8347 -14.8056 -14.8056 -13.8364 -13.8364 -13.7844 -13.7844 -13.7372 -13.7372 -5.3184 -5.3184 -4.6074 -4.6074 -0.1693 -0.1693 1.9778 1.9778 4.3331 4.3331 4.8837 4.8837 5.8940 5.8940 6.0753 6.0753 8.2830 8.2830 11.4540 11.4540 12.3509 12.3509 13.1687 13.1687 k = 0.4400 0.2540 0.3101 ( 2530 PWs) bands (ev): -14.8349 -14.8349 -14.8056 -14.8056 -13.8369 -13.8369 -13.7842 -13.7842 -13.7367 -13.7367 -5.2735 -5.2735 -4.6076 -4.6076 -0.2145 -0.2145 1.9387 1.9387 4.3182 4.3182 4.8844 4.8844 5.9102 5.9102 6.0695 6.0695 8.2635 8.2635 11.4398 11.4398 12.3202 12.3202 13.1428 13.1428 k = 0.4500 0.2598 0.3101 ( 2530 PWs) bands (ev): -14.8351 -14.8351 -14.8055 -14.8055 -13.8373 -13.8373 -13.7842 -13.7842 -13.7362 -13.7362 -5.2330 -5.2330 -4.6095 -4.6095 -0.2533 -0.2533 1.9053 1.9053 4.3056 4.3056 4.8852 4.8852 5.9240 5.9240 6.0646 6.0646 8.2470 8.2470 11.4278 11.4278 12.2937 12.2937 13.1207 13.1207 k = 0.4600 0.2656 0.3101 ( 2538 PWs) bands (ev): -14.8352 -14.8352 -14.8054 -14.8054 -13.8376 -13.8376 -13.7841 -13.7841 -13.7358 -13.7358 -5.1977 -5.1977 -4.6128 -4.6128 -0.2854 -0.2854 1.8777 1.8777 4.2952 4.2952 4.8860 4.8860 5.9353 5.9353 6.0607 6.0607 8.2335 8.2335 11.4179 11.4179 12.2715 12.2715 13.1024 13.1024 k = 0.4700 0.2714 0.3101 ( 2538 PWs) bands (ev): -14.8353 -14.8353 -14.8054 -14.8054 -13.8378 -13.8378 -13.7840 -13.7840 -13.7355 -13.7355 -5.1688 -5.1688 -4.6165 -4.6165 -0.3106 -0.3106 1.8561 1.8561 4.2871 4.2871 4.8867 4.8867 5.9441 5.9441 6.0578 6.0578 8.2229 8.2229 11.4102 11.4102 12.2541 12.2541 13.0881 13.0881 k = 0.4800 0.2771 0.3101 ( 2542 PWs) bands (ev): -14.8354 -14.8354 -14.8054 -14.8054 -13.8380 -13.8380 -13.7840 -13.7840 -13.7353 -13.7353 -5.1471 -5.1471 -4.6200 -4.6200 -0.3288 -0.3288 1.8406 1.8406 4.2813 4.2813 4.8873 4.8873 5.9504 5.9504 6.0557 6.0557 8.2154 8.2154 11.4046 11.4046 12.2414 12.2414 13.0778 13.0778 k = 0.4900 0.2829 0.3101 ( 2544 PWs) bands (ev): -14.8354 -14.8354 -14.8054 -14.8054 -13.8381 -13.8381 -13.7839 -13.7839 -13.7351 -13.7351 -5.1337 -5.1337 -4.6225 -4.6225 -0.3397 -0.3397 1.8313 1.8313 4.2778 4.2778 4.8877 4.8877 5.9541 5.9541 6.0545 6.0545 8.2109 8.2109 11.4013 11.4013 12.2338 12.2338 13.0716 13.0716 k = 0.5000 0.2887 0.3101 ( 2544 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8382 -13.8382 -13.7839 -13.7839 -13.7351 -13.7351 -5.1291 -5.1291 -4.6234 -4.6234 -0.3433 -0.3433 1.8282 1.8282 4.2766 4.2766 4.8879 4.8879 5.9554 5.9554 6.0541 6.0541 8.2094 8.2094 11.4002 11.4002 12.2313 12.2313 13.0695 13.0695 k = 0.5000 0.2887 0.3101 ( 2544 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8382 -13.8382 -13.7839 -13.7839 -13.7351 -13.7351 -5.1291 -5.1291 -4.6234 -4.6234 -0.3433 -0.3433 1.8282 1.8282 4.2766 4.2766 4.8879 4.8879 5.9554 5.9554 6.0541 6.0541 8.2094 8.2094 11.4002 11.4002 12.2313 12.2313 13.0695 13.0695 k = 0.4943 0.2986 0.3101 ( 2544 PWs) bands (ev): -14.8354 -14.8354 -14.8054 -14.8054 -13.8381 -13.8381 -13.7840 -13.7840 -13.7351 -13.7351 -5.1283 -5.1283 -4.6231 -4.6231 -0.3433 -0.3433 1.8294 1.8294 4.2678 4.2678 4.8832 4.8832 5.9597 5.9597 6.0544 6.0544 8.2150 8.2150 11.4048 11.4048 12.2341 12.2341 13.0705 13.0705 k = 0.4885 0.3086 0.3101 ( 2544 PWs) bands (ev): -14.8353 -14.8353 -14.8054 -14.8054 -13.8380 -13.8380 -13.7840 -13.7840 -13.7352 -13.7352 -5.1258 -5.1258 -4.6221 -4.6221 -0.3431 -0.3431 1.8330 1.8330 4.2418 4.2418 4.8694 4.8694 5.9722 5.9722 6.0556 6.0556 8.2316 8.2316 11.4184 11.4184 12.2425 12.2425 13.0733 13.0733 k = 0.4828 0.3185 0.3101 ( 2544 PWs) bands (ev): -14.8352 -14.8352 -14.8055 -14.8055 -13.8378 -13.8378 -13.7842 -13.7842 -13.7354 -13.7354 -5.1217 -5.1217 -4.6204 -4.6204 -0.3428 -0.3428 1.8390 1.8390 4.1999 4.1999 4.8467 4.8467 5.9912 5.9912 6.0579 6.0579 8.2591 8.2591 11.4404 11.4404 12.2569 12.2569 13.0771 13.0771 k = 0.4770 0.3285 0.3101 ( 2544 PWs) bands (ev): -14.8350 -14.8350 -14.8056 -14.8056 -13.8375 -13.8375 -13.7844 -13.7844 -13.7356 -13.7356 -5.1160 -5.1160 -4.6181 -4.6181 -0.3424 -0.3424 1.8474 1.8474 4.1442 4.1442 4.8153 4.8153 6.0140 6.0140 6.0627 6.0627 8.2970 8.2970 11.4700 11.4700 12.2774 12.2774 13.0801 13.0801 k = 0.4713 0.3384 0.3101 ( 2542 PWs) bands (ev): -14.8347 -14.8347 -14.8058 -14.8058 -13.8371 -13.8371 -13.7846 -13.7846 -13.7359 -13.7359 -5.1087 -5.1087 -4.6151 -4.6151 -0.3419 -0.3419 1.8581 1.8581 4.0768 4.0768 4.7757 4.7757 6.0353 6.0353 6.0734 6.0734 8.3446 8.3446 11.5061 11.5061 12.3047 12.3047 13.0801 13.0801 k = 0.4655 0.3484 0.3101 ( 2546 PWs) bands (ev): -14.8344 -14.8344 -14.8060 -14.8060 -13.8367 -13.8367 -13.7849 -13.7849 -13.7362 -13.7362 -5.0999 -5.0999 -4.6116 -4.6116 -0.3415 -0.3415 1.8712 1.8712 4.0002 4.0002 4.7284 4.7284 6.0490 6.0490 6.0947 6.0947 8.4012 8.4012 11.5472 11.5472 12.3392 12.3392 13.0742 13.0742 k = 0.4598 0.3584 0.3101 ( 2546 PWs) bands (ev): -14.8340 -14.8340 -14.8062 -14.8062 -13.8361 -13.8361 -13.7853 -13.7853 -13.7366 -13.7366 -5.0895 -5.0895 -4.6076 -4.6076 -0.3412 -0.3412 1.8867 1.8867 3.9165 3.9165 4.6740 4.6740 6.0574 6.0574 6.1229 6.1229 8.4658 8.4658 11.5916 11.5916 12.3813 12.3813 13.0595 13.0595 k = 0.4540 0.3683 0.3101 ( 2546 PWs) bands (ev): -14.8336 -14.8336 -14.8065 -14.8065 -13.8355 -13.8355 -13.7857 -13.7857 -13.7370 -13.7370 -5.0776 -5.0776 -4.6032 -4.6032 -0.3410 -0.3410 1.9045 1.9045 3.8277 3.8277 4.6129 4.6129 6.0646 6.0646 6.1529 6.1529 8.5375 8.5375 11.6378 11.6378 12.4313 12.4313 13.0345 13.0345 k = 0.4483 0.3783 0.3101 ( 2554 PWs) bands (ev): -14.8331 -14.8331 -14.8068 -14.8068 -13.8348 -13.8348 -13.7862 -13.7862 -13.7375 -13.7375 -5.0643 -5.0643 -4.5983 -4.5983 -0.3410 -0.3410 1.9245 1.9245 3.7355 3.7355 4.5459 4.5459 6.0722 6.0722 6.1825 6.1825 8.6150 8.6150 11.6841 11.6841 12.4890 12.4890 12.9996 12.9996 k = 0.4425 0.3882 0.3101 ( 2566 PWs) bands (ev): -14.8326 -14.8326 -14.8071 -14.8071 -13.8340 -13.8340 -13.7867 -13.7867 -13.7379 -13.7379 -5.0496 -5.0496 -4.5932 -4.5932 -0.3414 -0.3414 1.9469 1.9469 3.6414 3.6414 4.4735 4.4735 6.0807 6.0807 6.2106 6.2106 8.6971 8.6971 11.7293 11.7293 12.5527 12.5527 12.9578 12.9578 k = 0.4368 0.3982 0.3101 ( 2558 PWs) bands (ev): -14.8321 -14.8321 -14.8075 -14.8075 -13.8332 -13.8332 -13.7874 -13.7874 -13.7384 -13.7384 -5.0336 -5.0336 -4.5879 -4.5879 -0.3421 -0.3421 1.9714 1.9714 3.5469 3.5469 4.3966 4.3966 6.0902 6.0902 6.2367 6.2367 8.7826 8.7826 11.7724 11.7724 12.6174 12.6174 12.9157 12.9157 k = 0.4310 0.4081 0.3101 ( 2554 PWs) bands (ev): -14.8315 -14.8315 -14.8079 -14.8079 -13.8323 -13.8323 -13.7880 -13.7880 -13.7389 -13.7389 -5.0163 -5.0163 -4.5825 -4.5825 -0.3433 -0.3433 1.9982 1.9982 3.4531 3.4531 4.3157 4.3157 6.1008 6.1008 6.2607 6.2607 8.8703 8.8703 11.8127 11.8127 12.6674 12.6674 12.8903 12.8903 k = 0.4253 0.4181 0.3101 ( 2550 PWs) bands (ev): -14.8309 -14.8309 -14.8083 -14.8083 -13.8313 -13.8313 -13.7888 -13.7888 -13.7395 -13.7395 -4.9979 -4.9979 -4.5771 -4.5771 -0.3452 -0.3452 2.0270 2.0270 3.3609 3.3609 4.2317 4.2317 6.1125 6.1125 6.2824 6.2824 8.9589 8.9589 11.8498 11.8498 12.6722 12.6722 12.9131 12.9131 k = 0.4195 0.4280 0.3101 ( 2558 PWs) bands (ev): -14.8302 -14.8302 -14.8088 -14.8088 -13.8303 -13.8303 -13.7896 -13.7896 -13.7400 -13.7400 -4.9784 -4.9784 -4.5719 -4.5719 -0.3476 -0.3476 2.0580 2.0580 3.2714 3.2714 4.1451 4.1451 6.1252 6.1252 6.3019 6.3019 9.0473 9.0473 11.8837 11.8837 12.6333 12.6333 12.9826 12.9826 k = 0.4138 0.4380 0.3101 ( 2554 PWs) bands (ev): -14.8295 -14.8295 -14.8092 -14.8092 -13.8292 -13.8292 -13.7905 -13.7905 -13.7404 -13.7404 -4.9579 -4.9579 -4.5669 -4.5669 -0.3508 -0.3508 2.0909 2.0909 3.1853 3.1853 4.0568 4.0568 6.1388 6.1388 6.3190 6.3190 9.1343 9.1343 11.9142 11.9142 12.5769 12.5769 13.0723 13.0723 k = 0.4080 0.4479 0.3101 ( 2554 PWs) bands (ev): -14.8289 -14.8289 -14.8097 -14.8097 -13.8280 -13.8280 -13.7915 -13.7915 -13.7409 -13.7409 -4.9365 -4.9365 -4.5625 -4.5625 -0.3548 -0.3548 2.1257 2.1257 3.1033 3.1033 3.9672 3.9672 6.1533 6.1533 6.3341 6.3341 9.2189 9.2189 11.9413 11.9413 12.5156 12.5156 13.1690 13.1690 k = 0.4023 0.4579 0.3101 ( 2554 PWs) bands (ev): -14.8282 -14.8282 -14.8102 -14.8102 -13.8269 -13.8269 -13.7925 -13.7925 -13.7413 -13.7413 -4.9143 -4.9143 -4.5587 -4.5587 -0.3596 -0.3596 2.1623 2.1623 3.0261 3.0261 3.8772 3.8772 6.1686 6.1686 6.3470 6.3470 9.3001 9.3001 11.9647 11.9647 12.4544 12.4544 13.2668 13.2668 k = 0.3966 0.4679 0.3101 ( 2554 PWs) bands (ev): -14.8275 -14.8275 -14.8108 -14.8108 -13.8256 -13.8256 -13.7935 -13.7935 -13.7417 -13.7417 -4.8915 -4.8915 -4.5557 -4.5557 -0.3652 -0.3652 2.2005 2.2005 2.9542 2.9542 3.7873 3.7873 6.1843 6.1843 6.3579 6.3579 9.3770 9.3770 11.9841 11.9841 12.3960 12.3960 13.3620 13.3620 k = 0.3908 0.4778 0.3101 ( 2550 PWs) bands (ev): -14.8267 -14.8267 -14.8113 -14.8113 -13.8244 -13.8244 -13.7947 -13.7947 -13.7421 -13.7421 -4.8681 -4.8681 -4.5537 -4.5537 -0.3715 -0.3715 2.2401 2.2401 2.8881 2.8881 3.6983 3.6983 6.2006 6.2006 6.3668 6.3668 9.4488 9.4488 11.9988 11.9988 12.3426 12.3426 13.4515 13.4515 k = 0.3851 0.4878 0.3101 ( 2558 PWs) bands (ev): -14.8260 -14.8260 -14.8119 -14.8119 -13.8231 -13.8231 -13.7958 -13.7958 -13.7424 -13.7424 -4.8442 -4.8442 -4.5528 -4.5528 -0.3785 -0.3785 2.2810 2.2810 2.8282 2.8282 3.6107 3.6107 6.2171 6.2171 6.3737 6.3737 9.5147 9.5147 12.0082 12.0082 12.2960 12.2960 13.5327 13.5327 k = 0.3793 0.4977 0.3101 ( 2558 PWs) bands (ev): -14.8253 -14.8253 -14.8125 -14.8125 -13.8219 -13.8219 -13.7970 -13.7970 -13.7427 -13.7427 -4.8201 -4.8201 -4.5534 -4.5534 -0.3860 -0.3860 2.3226 2.3226 2.7749 2.7749 3.5253 3.5253 6.2338 6.2338 6.3788 6.3788 9.5743 9.5743 12.0115 12.0115 12.2578 12.2578 13.6033 13.6033 k = 0.3736 0.5077 0.3101 ( 2558 PWs) bands (ev): -14.8247 -14.8247 -14.8130 -14.8130 -13.8206 -13.8206 -13.7982 -13.7982 -13.7430 -13.7430 -4.7958 -4.7958 -4.5556 -4.5556 -0.3938 -0.3938 2.3645 2.3645 2.7285 2.7285 3.4429 3.4429 6.2504 6.2504 6.3820 6.3820 9.6268 9.6268 12.0085 12.0085 12.2289 12.2289 13.6622 13.6622 k = 0.3678 0.5176 0.3101 ( 2566 PWs) bands (ev): -14.8240 -14.8240 -14.8136 -14.8136 -13.8194 -13.8194 -13.7994 -13.7994 -13.7432 -13.7432 -4.7715 -4.7715 -4.5596 -4.5596 -0.4017 -0.4017 2.4059 2.4059 2.6894 2.6894 3.3645 3.3645 6.2668 6.2668 6.3833 6.3833 9.6720 9.6720 12.0003 12.0003 12.2086 12.2086 13.7087 13.7087 k = 0.3621 0.5276 0.3101 ( 2568 PWs) bands (ev): -14.8234 -14.8234 -14.8141 -14.8141 -13.8182 -13.8182 -13.8005 -13.8005 -13.7433 -13.7433 -4.7474 -4.7474 -4.5656 -4.5656 -0.4095 -0.4095 2.4455 2.4455 2.6580 2.6580 3.2914 3.2914 6.2827 6.2827 6.3828 6.3828 9.7096 9.7096 11.9894 11.9894 12.1949 12.1949 13.7435 13.7435 k = 0.3563 0.5375 0.3101 ( 2564 PWs) bands (ev): -14.8228 -14.8228 -14.8146 -14.8146 -13.8170 -13.8170 -13.8016 -13.8016 -13.7435 -13.7435 -4.7236 -4.7236 -4.5738 -4.5738 -0.4166 -0.4166 2.4812 2.4812 2.6350 2.6350 3.2251 3.2251 6.2981 6.2981 6.3805 6.3805 9.7396 9.7396 11.9785 11.9785 12.1855 12.1855 13.7679 13.7679 k = 0.3506 0.5475 0.3101 ( 2564 PWs) bands (ev): -14.8224 -14.8224 -14.8150 -14.8150 -13.8160 -13.8160 -13.8026 -13.8026 -13.7436 -13.7436 -4.7003 -4.7003 -4.5844 -4.5844 -0.4229 -0.4229 2.5098 2.5098 2.6217 2.6217 3.1681 3.1681 6.3126 6.3126 6.3765 6.3765 9.7622 9.7622 11.9696 11.9696 12.1785 12.1785 13.7840 13.7840 k = 0.3448 0.5574 0.3101 ( 2560 PWs) bands (ev): -14.8220 -14.8220 -14.8153 -14.8153 -13.8152 -13.8152 -13.8034 -13.8034 -13.7436 -13.7436 -4.6778 -4.6778 -4.5974 -4.5974 -0.4279 -0.4279 2.5279 2.5279 2.6185 2.6185 3.1233 3.1233 6.3260 6.3260 6.3708 6.3708 9.7776 9.7776 11.9637 11.9637 12.1731 12.1731 13.7935 13.7935 k = 0.3391 0.5674 0.3101 ( 2564 PWs) bands (ev): -14.8218 -14.8218 -14.8155 -14.8155 -13.8147 -13.8147 -13.8039 -13.8039 -13.7436 -13.7436 -4.6568 -4.6568 -4.6125 -4.6125 -0.4312 -0.4312 2.5359 2.5359 2.6214 2.6214 3.0944 3.0944 6.3375 6.3375 6.3641 6.3641 9.7864 9.7864 11.9608 11.9608 12.1691 12.1691 13.7984 13.7984 k = 0.3333 0.5774 0.3101 ( 2556 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6429 -4.6429 -4.6243 -4.6243 -0.4324 -0.4324 2.5379 2.5379 2.6233 2.6233 3.0845 3.0845 6.3435 6.3435 6.3597 6.3597 9.7891 9.7891 11.9601 11.9601 12.1675 12.1675 13.7998 13.7998 k = 0.3333 0.5774 0.3101 ( 2556 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6429 -4.6429 -4.6243 -4.6243 -0.4324 -0.4324 2.5379 2.5379 2.6233 2.6233 3.0845 3.0845 6.3435 6.3435 6.3597 6.3597 9.7891 9.7891 11.9601 11.9601 12.1675 12.1675 13.7998 13.7998 k = 0.3276 0.5674 0.3101 ( 2568 PWs) bands (ev): -14.8218 -14.8218 -14.8155 -14.8155 -13.8147 -13.8147 -13.8039 -13.8039 -13.7436 -13.7436 -4.6577 -4.6577 -4.6117 -4.6117 -0.4310 -0.4310 2.5355 2.5355 2.6222 2.6222 3.0940 3.0940 6.3373 6.3373 6.3642 6.3642 9.7866 9.7866 11.9602 11.9602 12.1697 12.1697 13.7986 13.7986 k = 0.3218 0.5574 0.3101 ( 2564 PWs) bands (ev): -14.8220 -14.8220 -14.8153 -14.8153 -13.8152 -13.8152 -13.8034 -13.8034 -13.7436 -13.7436 -4.6819 -4.6819 -4.5940 -4.5940 -0.4269 -0.4269 2.5260 2.5260 2.6231 2.6231 3.1205 3.1205 6.3253 6.3253 6.3711 6.3711 9.7796 9.7796 11.9596 11.9596 12.1771 12.1771 13.7952 13.7952 k = 0.3161 0.5475 0.3101 ( 2564 PWs) bands (ev): -14.8223 -14.8223 -14.8151 -14.8151 -13.8159 -13.8159 -13.8027 -13.8027 -13.7436 -13.7436 -4.7099 -4.7099 -4.5772 -4.5772 -0.4195 -0.4195 2.5077 2.5077 2.6316 2.6316 3.1599 3.1599 6.3109 6.3109 6.3770 6.3770 9.7689 9.7689 11.9570 11.9570 12.1909 12.1909 13.7897 13.7897 k = 0.3103 0.5375 0.3101 ( 2568 PWs) bands (ev): -14.8227 -14.8227 -14.8147 -14.8147 -13.8167 -13.8167 -13.8019 -13.8019 -13.7436 -13.7436 -4.7412 -4.7412 -4.5617 -4.5617 -0.4086 -0.4086 2.4833 2.4833 2.6485 2.6485 3.2087 3.2087 6.2946 6.2946 6.3811 6.3811 9.7552 9.7552 11.9520 11.9520 12.2117 12.2117 13.7819 13.7819 k = 0.3046 0.5276 0.3101 ( 2568 PWs) bands (ev): -14.8231 -14.8231 -14.8143 -14.8143 -13.8176 -13.8176 -13.8009 -13.8009 -13.7435 -13.7435 -4.7757 -4.7757 -4.5480 -4.5480 -0.3939 -0.3939 2.4568 2.4568 2.6724 2.6724 3.2641 3.2641 6.2768 6.2768 6.3831 6.3831 9.7393 9.7393 11.9450 11.9450 12.2389 12.2389 13.7715 13.7715 k = 0.2989 0.5176 0.3101 ( 2564 PWs) bands (ev): -14.8236 -14.8236 -14.8139 -14.8139 -13.8186 -13.8186 -13.8000 -13.8000 -13.7435 -13.7435 -4.8134 -4.8134 -4.5361 -4.5361 -0.3753 -0.3753 2.4310 2.4310 2.7019 2.7019 3.3244 3.3244 6.2576 6.2576 6.3830 6.3830 9.7218 9.7218 11.9368 11.9368 12.2716 12.2716 13.7581 13.7581 k = 0.2931 0.5077 0.3101 ( 2556 PWs) bands (ev): -14.8241 -14.8241 -14.8135 -14.8135 -13.8195 -13.8195 -13.7990 -13.7990 -13.7435 -13.7435 -4.8540 -4.8540 -4.5262 -4.5262 -0.3526 -0.3526 2.4078 2.4078 2.7364 2.7364 3.3884 3.3884 6.2371 6.2371 6.3804 6.3804 9.7033 9.7033 11.9285 11.9285 12.3088 12.3088 13.7416 13.7416 k = 0.2874 0.4977 0.3101 ( 2552 PWs) bands (ev): -14.8245 -14.8245 -14.8131 -14.8131 -13.8203 -13.8203 -13.7981 -13.7981 -13.7435 -13.7435 -4.8975 -4.8975 -4.5185 -4.5185 -0.3256 -0.3256 2.3883 2.3883 2.7751 2.7751 3.4552 3.4552 6.2156 6.2156 6.3754 6.3754 9.6842 9.6842 11.9209 11.9209 12.3497 12.3497 13.7217 13.7217 k = 0.2816 0.4878 0.3101 ( 2548 PWs) bands (ev): -14.8250 -14.8250 -14.8127 -14.8127 -13.8212 -13.8212 -13.7971 -13.7971 -13.7435 -13.7435 -4.9438 -4.9438 -4.5129 -4.5129 -0.2944 -0.2944 2.3733 2.3733 2.8178 2.8178 3.5242 3.5242 6.1932 6.1932 6.3679 6.3679 9.6650 9.6650 11.9148 11.9148 12.3933 12.3933 13.6985 13.6985 k = 0.2759 0.4778 0.3101 ( 2552 PWs) bands (ev): -14.8254 -14.8254 -14.8123 -14.8123 -13.8219 -13.8219 -13.7962 -13.7962 -13.7436 -13.7436 -4.9925 -4.9925 -4.5097 -4.5097 -0.2590 -0.2590 2.3633 2.3633 2.8640 2.8640 3.5950 3.5950 6.1701 6.1701 6.3579 6.3579 9.6459 9.6459 11.9106 11.9106 12.4391 12.4391 13.6721 13.6721 k = 0.2701 0.4679 0.3101 ( 2546 PWs) bands (ev): -14.8258 -14.8258 -14.8119 -14.8119 -13.8226 -13.8226 -13.7954 -13.7954 -13.7437 -13.7437 -5.0436 -5.0436 -4.5088 -4.5088 -0.2193 -0.2193 2.3587 2.3587 2.9133 2.9133 3.6673 3.6673 6.1466 6.1466 6.3453 6.3453 9.6273 9.6273 11.9087 11.9087 12.4863 12.4863 13.6428 13.6428 k = 0.2644 0.4579 0.3101 ( 2550 PWs) bands (ev): -14.8263 -14.8263 -14.8116 -14.8116 -13.8233 -13.8233 -13.7946 -13.7946 -13.7438 -13.7438 -5.0968 -5.0968 -4.5104 -4.5104 -0.1755 -0.1755 2.3597 2.3597 2.9656 2.9656 3.7407 3.7407 6.1228 6.1228 6.3302 6.3302 9.6094 9.6094 11.9095 11.9095 12.5346 12.5346 13.6110 13.6110 k = 0.2586 0.4479 0.3101 ( 2550 PWs) bands (ev): -14.8266 -14.8266 -14.8112 -14.8112 -13.8238 -13.8238 -13.7938 -13.7938 -13.7440 -13.7440 -5.1520 -5.1520 -4.5143 -4.5143 -0.1277 -0.1277 2.3665 2.3665 3.0205 3.0205 3.8150 3.8150 6.0991 6.0991 6.3126 6.3126 9.5923 9.5923 11.9129 11.9129 12.5833 12.5833 13.5771 13.5771 k = 0.2529 0.4380 0.3101 ( 2550 PWs) bands (ev): -14.8270 -14.8270 -14.8109 -14.8109 -13.8243 -13.8243 -13.7931 -13.7931 -13.7442 -13.7442 -5.2087 -5.2087 -4.5207 -4.5207 -0.0760 -0.0760 2.3794 2.3794 3.0777 3.0777 3.8900 3.8900 6.0756 6.0756 6.2926 6.2926 9.5761 9.5761 11.9190 11.9190 12.6322 12.6322 13.5416 13.5416 k = 0.2471 0.4280 0.3101 ( 2554 PWs) bands (ev): -14.8273 -14.8273 -14.8106 -14.8106 -13.8247 -13.8247 -13.7924 -13.7924 -13.7445 -13.7445 -5.2669 -5.2669 -4.5294 -4.5294 -0.0207 -0.0207 2.3982 2.3982 3.1370 3.1370 3.9655 3.9655 6.0528 6.0528 6.2703 6.2703 9.5610 9.5610 11.9277 11.9277 12.6807 12.6807 13.5051 13.5051 k = 0.2414 0.4181 0.3101 ( 2550 PWs) bands (ev): -14.8276 -14.8276 -14.8103 -14.8103 -13.8250 -13.8250 -13.7918 -13.7918 -13.7448 -13.7448 -5.3263 -5.3263 -4.5405 -4.5405 0.0382 0.0382 2.4230 2.4230 3.1981 3.1981 4.0412 4.0412 6.0307 6.0307 6.2460 6.2460 9.5470 9.5470 11.9388 11.9388 12.7285 12.7285 13.4680 13.4680 k = 0.2356 0.4081 0.3101 ( 2548 PWs) bands (ev): -14.8279 -14.8279 -14.8101 -14.8101 -13.8253 -13.8253 -13.7912 -13.7912 -13.7452 -13.7452 -5.3867 -5.3867 -4.5539 -4.5539 0.1003 0.1003 2.4539 2.4539 3.2607 3.2607 4.1170 4.1170 6.0098 6.0098 6.2197 6.2197 9.5341 9.5341 11.9519 11.9519 12.7752 12.7752 13.4308 13.4308 k = 0.2299 0.3982 0.3101 ( 2548 PWs) bands (ev): -14.8281 -14.8281 -14.8098 -14.8098 -13.8254 -13.8254 -13.7907 -13.7907 -13.7456 -13.7456 -5.4478 -5.4478 -4.5695 -4.5695 0.1655 0.1655 2.4907 2.4907 3.3247 3.3247 4.1927 4.1927 5.9903 5.9903 6.1916 6.1916 9.5225 9.5225 11.9666 11.9666 12.8202 12.8202 13.3941 13.3941 k = 0.2241 0.3882 0.3101 ( 2536 PWs) bands (ev): -14.8283 -14.8283 -14.8096 -14.8096 -13.8255 -13.8255 -13.7902 -13.7902 -13.7461 -13.7461 -5.5094 -5.5094 -4.5872 -4.5872 0.2334 0.2334 2.5335 2.5335 3.3897 3.3897 4.2680 4.2680 5.9724 5.9724 6.1620 6.1620 9.5122 9.5122 11.9824 11.9824 12.8631 12.8631 13.3585 13.3585 k = 0.2184 0.3783 0.3101 ( 2540 PWs) bands (ev): -14.8285 -14.8285 -14.8094 -14.8094 -13.8255 -13.8255 -13.7897 -13.7897 -13.7466 -13.7466 -5.5714 -5.5714 -4.6069 -4.6069 0.3039 0.3039 2.5820 2.5820 3.4556 3.4556 4.3427 4.3427 5.9565 5.9565 6.1312 6.1312 9.5032 9.5032 11.9986 11.9986 12.9032 12.9032 13.3245 13.3245 k = 0.2126 0.3683 0.3101 ( 2544 PWs) bands (ev): -14.8287 -14.8287 -14.8092 -14.8092 -13.8254 -13.8254 -13.7893 -13.7893 -13.7472 -13.7472 -5.6335 -5.6335 -4.6285 -4.6285 0.3766 0.3766 2.6361 2.6361 3.5221 3.5221 4.4166 4.4166 5.9428 5.9428 6.0993 6.0993 9.4955 9.4955 12.0145 12.0145 12.9399 12.9399 13.2929 13.2929 k = 0.2069 0.3584 0.3101 ( 2548 PWs) bands (ev): -14.8288 -14.8288 -14.8090 -14.8090 -13.8253 -13.8253 -13.7889 -13.7889 -13.7478 -13.7478 -5.6955 -5.6955 -4.6517 -4.6517 0.4513 0.4513 2.6957 2.6957 3.5891 3.5891 4.4895 4.4895 5.9314 5.9314 6.0668 6.0668 9.4891 9.4891 12.0292 12.0292 12.9721 12.9721 13.2648 13.2648 k = 0.2011 0.3484 0.3101 ( 2548 PWs) bands (ev): -14.8290 -14.8290 -14.8088 -14.8088 -13.8251 -13.8251 -13.7886 -13.7886 -13.7485 -13.7485 -5.7573 -5.7573 -4.6766 -4.6766 0.5276 0.5276 2.7607 2.7607 3.6563 3.6563 4.5611 4.5611 5.9227 5.9227 6.0341 6.0341 9.4843 9.4843 12.0418 12.0418 12.9987 12.9987 13.2413 13.2413 k = 0.1954 0.3384 0.3101 ( 2544 PWs) bands (ev): -14.8291 -14.8291 -14.8087 -14.8087 -13.8248 -13.8248 -13.7883 -13.7883 -13.7493 -13.7493 -5.8187 -5.8187 -4.7028 -4.7028 0.6052 0.6052 2.8308 2.8308 3.7236 3.7236 4.6311 4.6311 5.9164 5.9164 6.0017 6.0017 9.4809 9.4809 12.0514 12.0514 13.0185 13.0185 13.2237 13.2237 k = 0.1897 0.3285 0.3101 ( 2548 PWs) bands (ev): -14.8292 -14.8292 -14.8085 -14.8085 -13.8245 -13.8245 -13.7880 -13.7880 -13.7500 -13.7500 -5.8795 -5.8795 -4.7304 -4.7304 0.6838 0.6838 2.9057 2.9057 3.7908 3.7908 4.6991 4.6991 5.9123 5.9123 5.9706 5.9706 9.4790 9.4790 12.0569 12.0569 13.0306 13.0306 13.2128 13.2128 k = 0.1839 0.3185 0.3101 ( 2548 PWs) bands (ev): -14.8293 -14.8293 -14.8084 -14.8084 -13.8241 -13.8241 -13.7877 -13.7877 -13.7508 -13.7508 -5.9396 -5.9396 -4.7590 -4.7590 0.7631 0.7631 2.9854 2.9854 3.8579 3.8579 4.7649 4.7649 5.9074 5.9074 5.9443 5.9443 9.4787 9.4787 12.0576 12.0576 13.0357 13.0357 13.2080 13.2080 k = 0.1782 0.3086 0.3101 ( 2552 PWs) bands (ev): -14.8294 -14.8294 -14.8082 -14.8082 -13.8237 -13.8237 -13.7875 -13.7875 -13.7517 -13.7517 -5.9988 -5.9988 -4.7885 -4.7885 0.8426 0.8426 3.0696 3.0696 3.9249 3.9249 4.8279 4.8279 5.8924 5.8924 5.9327 5.9327 9.4801 9.4801 12.0526 12.0526 13.0358 13.0358 13.2070 13.2070 k = 0.1724 0.2986 0.3101 ( 2552 PWs) bands (ev): -14.8295 -14.8295 -14.8081 -14.8081 -13.8233 -13.8233 -13.7872 -13.7872 -13.7525 -13.7525 -6.0571 -6.0571 -4.8189 -4.8189 0.9221 0.9221 3.1580 3.1580 3.9916 3.9916 4.8877 4.8877 5.8681 5.8681 5.9356 5.9356 9.4832 9.4832 12.0415 12.0415 13.0334 13.0334 13.2069 13.2069 k = 0.1667 0.2887 0.3101 ( 2552 PWs) bands (ev): -14.8296 -14.8296 -14.8079 -14.8079 -13.8228 -13.8228 -13.7870 -13.7870 -13.7534 -13.7534 -6.1142 -6.1142 -4.8498 -4.8498 1.0012 1.0012 3.2503 3.2503 4.0582 4.0582 4.9437 4.9437 5.8432 5.8432 5.9450 5.9450 9.4880 9.4880 12.0241 12.0241 13.0301 13.0301 13.2052 13.2052 k = 0.1609 0.2787 0.3101 ( 2552 PWs) bands (ev): -14.8296 -14.8296 -14.8078 -14.8078 -13.8224 -13.8224 -13.7867 -13.7867 -13.7543 -13.7543 -6.1702 -6.1702 -4.8812 -4.8812 1.0795 1.0795 3.3462 3.3462 4.1248 4.1248 4.9952 4.9952 5.8206 5.8206 5.9587 5.9587 9.4947 9.4947 12.0003 12.0003 13.0262 13.0262 13.2005 13.2005 k = 0.1552 0.2688 0.3101 ( 2556 PWs) bands (ev): -14.8297 -14.8297 -14.8077 -14.8077 -13.8219 -13.8219 -13.7865 -13.7865 -13.7552 -13.7552 -6.2249 -6.2249 -4.9129 -4.9129 1.1566 1.1566 3.4455 3.4455 4.1914 4.1914 5.0415 5.0415 5.8019 5.8019 5.9758 5.9758 9.5033 9.5033 11.9706 11.9706 13.0208 13.0208 13.1922 13.1922 k = 0.1494 0.2588 0.3101 ( 2564 PWs) bands (ev): -14.8298 -14.8298 -14.8075 -14.8075 -13.8215 -13.8215 -13.7862 -13.7862 -13.7561 -13.7561 -6.2782 -6.2782 -4.9447 -4.9447 1.2322 1.2322 3.5477 3.5477 4.2582 4.2582 5.0819 5.0819 5.7880 5.7880 5.9959 5.9959 9.5138 9.5138 11.9354 11.9354 13.0123 13.0123 13.1803 13.1803 k = 0.1437 0.2489 0.3101 ( 2560 PWs) bands (ev): -14.8299 -14.8299 -14.8074 -14.8074 -13.8210 -13.8210 -13.7859 -13.7859 -13.7570 -13.7570 -6.3300 -6.3300 -4.9765 -4.9765 1.3059 1.3059 3.6524 3.6524 4.3255 4.3255 5.1157 5.1157 5.7798 5.7798 6.0189 6.0189 9.5261 9.5261 11.8954 11.8954 12.9980 12.9980 13.1652 13.1652 k = 0.1379 0.2389 0.3101 ( 2560 PWs) bands (ev): -14.8301 -14.8301 -14.8072 -14.8072 -13.8206 -13.8206 -13.7856 -13.7856 -13.7579 -13.7579 -6.3803 -6.3803 -5.0081 -5.0081 1.3774 1.3774 3.7593 3.7593 4.3934 4.3934 5.1424 5.1424 5.7782 5.7782 6.0442 6.0442 9.5404 9.5404 11.8511 11.8511 12.9756 12.9756 13.1473 13.1473 k = 0.1322 0.2289 0.3101 ( 2560 PWs) bands (ev): -14.8302 -14.8302 -14.8071 -14.8071 -13.8203 -13.8203 -13.7853 -13.7853 -13.7588 -13.7588 -6.4289 -6.4289 -5.0395 -5.0395 1.4463 1.4463 3.8678 3.8678 4.4622 4.4622 5.1623 5.1623 5.7833 5.7833 6.0715 6.0715 9.5565 9.5565 11.8031 11.8031 12.9435 12.9435 13.1258 13.1258 k = 0.1264 0.2190 0.3101 ( 2556 PWs) bands (ev): -14.8303 -14.8303 -14.8069 -14.8069 -13.8200 -13.8200 -13.7849 -13.7849 -13.7596 -13.7596 -6.4759 -6.4759 -5.0705 -5.0705 1.5124 1.5124 3.9771 3.9771 4.5320 4.5320 5.1759 5.1759 5.7949 5.7949 6.1004 6.1004 9.5744 9.5744 11.7519 11.7519 12.9014 12.9014 13.0991 13.0991 k = 0.1207 0.2090 0.3101 ( 2560 PWs) bands (ev): -14.8305 -14.8305 -14.8068 -14.8068 -13.8197 -13.8197 -13.7845 -13.7845 -13.7605 -13.7605 -6.5210 -6.5210 -5.1009 -5.1009 1.5754 1.5754 4.0865 4.0865 4.6031 4.6031 5.1847 5.1847 5.8122 5.8122 6.1305 6.1305 9.5940 9.5940 11.6979 11.6979 12.8500 12.8500 13.0653 13.0653 k = 0.1149 0.1991 0.3101 ( 2552 PWs) bands (ev): -14.8306 -14.8306 -14.8066 -14.8066 -13.8195 -13.8195 -13.7840 -13.7840 -13.7613 -13.7613 -6.5644 -6.5644 -5.1307 -5.1307 1.6351 1.6351 4.1949 4.1949 4.6756 4.6756 5.1904 5.1904 5.8343 5.8343 6.1613 6.1613 9.6149 9.6149 11.6413 11.6413 12.7904 12.7904 13.0229 13.0229 k = 0.1092 0.1891 0.3101 ( 2552 PWs) bands (ev): -14.8308 -14.8308 -14.8064 -14.8064 -13.8194 -13.8194 -13.7835 -13.7835 -13.7620 -13.7620 -6.6060 -6.6060 -5.1596 -5.1596 1.6913 1.6913 4.3009 4.3009 4.7494 4.7494 5.1955 5.1955 5.8599 5.8599 6.1923 6.1923 9.6371 9.6371 11.5823 11.5823 12.7239 12.7239 12.9716 12.9716 k = 0.1034 0.1792 0.3101 ( 2560 PWs) bands (ev): -14.8310 -14.8310 -14.8063 -14.8063 -13.8193 -13.8193 -13.7830 -13.7830 -13.7628 -13.7628 -6.6456 -6.6456 -5.1878 -5.1878 1.7438 1.7438 4.4025 4.4025 4.8246 4.8246 5.2028 5.2028 5.8881 5.8881 6.2232 6.2232 9.6602 9.6602 11.5209 11.5209 12.6518 12.6518 12.9120 12.9120 k = 0.0977 0.1692 0.3101 ( 2560 PWs) bands (ev): -14.8312 -14.8312 -14.8061 -14.8061 -13.8193 -13.8193 -13.7824 -13.7824 -13.7635 -13.7635 -6.6833 -6.6833 -5.2149 -5.2149 1.7927 1.7927 4.4971 4.4971 4.9008 4.9008 5.2153 5.2153 5.9181 5.9181 6.2535 6.2535 9.6838 9.6838 11.4571 11.4571 12.5752 12.5752 12.8455 12.8455 k = 0.0920 0.1593 0.3101 ( 2556 PWs) bands (ev): -14.8314 -14.8314 -14.8059 -14.8059 -13.8194 -13.8194 -13.7818 -13.7818 -13.7641 -13.7641 -6.7190 -6.7190 -5.2410 -5.2410 1.8379 1.8379 4.5812 4.5812 4.9780 4.9780 5.2370 5.2370 5.9491 5.9491 6.2829 6.2829 9.7076 9.7076 11.3908 11.3908 12.4954 12.4954 12.7742 12.7742 k = 0.0862 0.1493 0.3101 ( 2556 PWs) bands (ev): -14.8316 -14.8316 -14.8058 -14.8058 -13.8195 -13.8195 -13.7812 -13.7812 -13.7648 -13.7648 -6.7527 -6.7527 -5.2659 -5.2659 1.8795 1.8795 4.6514 4.6514 5.0559 5.0559 5.2711 5.2711 5.9807 5.9807 6.3110 6.3110 9.7310 9.7310 11.3220 11.3220 12.4139 12.4139 12.7000 12.7000 k = 0.0805 0.1394 0.3101 ( 2552 PWs) bands (ev): -14.8318 -14.8318 -14.8056 -14.8056 -13.8196 -13.8196 -13.7805 -13.7805 -13.7653 -13.7653 -6.7843 -6.7843 -5.2895 -5.2895 1.9174 1.9174 4.7051 4.7051 5.1348 5.1348 5.3196 5.3196 6.0128 6.0128 6.3375 6.3375 9.7535 9.7535 11.2504 11.2504 12.3320 12.3320 12.6251 12.6251 k = 0.0747 0.1294 0.3101 ( 2552 PWs) bands (ev): -14.8320 -14.8320 -14.8055 -14.8055 -13.8198 -13.8198 -13.7799 -13.7799 -13.7659 -13.7659 -6.8139 -6.8139 -5.3119 -5.3119 1.9517 1.9517 4.7422 4.7422 5.2146 5.2146 5.3814 5.3814 6.0453 6.0453 6.3620 6.3620 9.7746 9.7746 11.1763 11.1763 12.2511 12.2511 12.5513 12.5513 k = 0.0690 0.1195 0.3101 ( 2556 PWs) bands (ev): -14.8322 -14.8322 -14.8053 -14.8053 -13.8200 -13.8200 -13.7792 -13.7792 -13.7664 -13.7664 -6.8413 -6.8413 -5.3329 -5.3329 1.9827 1.9827 4.7652 4.7652 5.2949 5.2949 5.4532 5.4532 6.0783 6.0783 6.3844 6.3844 9.7937 9.7937 11.0997 11.0997 12.1728 12.1728 12.4803 12.4803 k = 0.0632 0.1095 0.3101 ( 2556 PWs) bands (ev): -14.8324 -14.8324 -14.8052 -14.8052 -13.8202 -13.8202 -13.7786 -13.7786 -13.7668 -13.7668 -6.8667 -6.8667 -5.3524 -5.3524 2.0104 2.0104 4.7777 4.7777 5.3750 5.3750 5.5305 5.5305 6.1121 6.1121 6.4045 6.4045 9.8104 9.8104 11.0210 11.0210 12.0982 12.0982 12.4135 12.4135 k = 0.0575 0.0995 0.3101 ( 2552 PWs) bands (ev): -14.8326 -14.8326 -14.8050 -14.8050 -13.8204 -13.8204 -13.7780 -13.7780 -13.7672 -13.7672 -6.8899 -6.8899 -5.3704 -5.3704 2.0350 2.0350 4.7830 4.7830 5.4536 5.4536 5.6093 5.6093 6.1472 6.1472 6.4220 6.4220 9.8243 9.8243 10.9411 10.9411 12.0286 12.0286 12.3517 12.3517 k = 0.0517 0.0896 0.3101 ( 2550 PWs) bands (ev): -14.8328 -14.8328 -14.8049 -14.8049 -13.8206 -13.8206 -13.7774 -13.7774 -13.7676 -13.7676 -6.9109 -6.9109 -5.3869 -5.3869 2.0567 2.0567 4.7837 4.7837 5.5295 5.5295 5.6858 5.6858 6.1840 6.1840 6.4368 6.4368 9.8350 9.8350 10.8609 10.8609 11.9649 11.9649 12.2959 12.2959 k = 0.0460 0.0796 0.3101 ( 2550 PWs) bands (ev): -14.8330 -14.8330 -14.8048 -14.8048 -13.8209 -13.8209 -13.7769 -13.7769 -13.7679 -13.7679 -6.9298 -6.9298 -5.4017 -5.4017 2.0755 2.0755 4.7817 4.7817 5.6015 5.6015 5.7571 5.7571 6.2229 6.2229 6.4490 6.4490 9.8425 9.8425 10.7819 10.7819 11.9078 11.9078 12.2464 12.2464 k = 0.0402 0.0697 0.3101 ( 2550 PWs) bands (ev): -14.8332 -14.8332 -14.8047 -14.8047 -13.8211 -13.8211 -13.7764 -13.7764 -13.7682 -13.7682 -6.9464 -6.9464 -5.4149 -5.4149 2.0918 2.0918 4.7782 4.7782 5.6684 5.6684 5.8212 5.8212 6.2636 6.2636 6.4585 6.4585 9.8470 9.8470 10.7055 10.7055 11.8577 11.8577 12.2034 12.2034 k = 0.0345 0.0597 0.3101 ( 2554 PWs) bands (ev): -14.8333 -14.8333 -14.8046 -14.8046 -13.8213 -13.8213 -13.7759 -13.7759 -13.7685 -13.7685 -6.9609 -6.9609 -5.4264 -5.4264 2.1055 2.1055 4.7740 4.7740 5.7287 5.7287 5.8771 5.8771 6.3053 6.3053 6.4655 6.4655 9.8489 9.8489 10.6337 10.6337 11.8149 11.8149 12.1669 12.1669 k = 0.0287 0.0498 0.3101 ( 2554 PWs) bands (ev): -14.8334 -14.8334 -14.8045 -14.8045 -13.8215 -13.8215 -13.7755 -13.7755 -13.7687 -13.7687 -6.9732 -6.9732 -5.4362 -5.4362 2.1169 2.1169 4.7697 4.7697 5.7812 5.7812 5.9245 5.9245 6.3461 6.3461 6.4704 6.4704 9.8486 9.8486 10.5684 10.5684 11.7792 11.7792 12.1368 12.1368 k = 0.0230 0.0398 0.3101 ( 2558 PWs) bands (ev): -14.8335 -14.8335 -14.8044 -14.8044 -13.8216 -13.8216 -13.7752 -13.7752 -13.7688 -13.7688 -6.9832 -6.9832 -5.4443 -5.4443 2.1260 2.1260 4.7657 4.7657 5.8246 5.8246 5.9639 5.9639 6.3834 6.3834 6.4740 6.4740 9.8470 9.8470 10.5116 10.5116 11.7505 11.7505 12.1128 12.1128 k = 0.0172 0.0299 0.3101 ( 2554 PWs) bands (ev): -14.8336 -14.8336 -14.8044 -14.8044 -13.8218 -13.8218 -13.7750 -13.7750 -13.7690 -13.7690 -6.9910 -6.9910 -5.4506 -5.4506 2.1331 2.1331 4.7624 4.7624 5.8582 5.8582 5.9955 5.9955 6.4137 6.4137 6.4775 6.4775 9.8447 9.8447 10.4651 10.4651 11.7285 11.7285 12.0946 12.0946 k = 0.0115 0.0199 0.3101 ( 2562 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8218 -13.8218 -13.7748 -13.7748 -13.7690 -13.7690 -6.9966 -6.9966 -5.4551 -5.4551 2.1380 2.1380 4.7599 4.7599 5.8819 5.8819 6.0191 6.0191 6.4338 6.4338 6.4826 6.4826 9.8424 9.8424 10.4305 10.4305 11.7131 11.7131 12.0819 12.0819 k = 0.0057 0.0100 0.3101 ( 2558 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7747 -13.7747 -13.7691 -13.7691 -7.0000 -7.0000 -5.4578 -5.4578 2.1410 2.1410 4.7584 4.7584 5.8958 5.8958 6.0338 6.0338 6.4433 6.4433 6.4886 6.4886 9.8408 9.8408 10.4092 10.4092 11.7039 11.7039 12.0744 12.0744 k = 0.0000 0.0000 0.3101 ( 2556 PWs) bands (ev): -14.8337 -14.8337 -14.8043 -14.8043 -13.8219 -13.8219 -13.7746 -13.7746 -13.7691 -13.7691 -7.0011 -7.0011 -5.4587 -5.4587 2.1420 2.1420 4.7578 4.7578 5.9004 5.9004 6.0389 6.0389 6.4458 6.4458 6.4913 6.4913 9.8402 9.8402 10.4020 10.4020 11.7009 11.7009 12.0719 12.0719 k = 0.5000 0.2887 0.3101 ( 2544 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8382 -13.8382 -13.7839 -13.7839 -13.7351 -13.7351 -5.1291 -5.1291 -4.6234 -4.6234 -0.3433 -0.3433 1.8282 1.8282 4.2766 4.2766 4.8879 4.8879 5.9554 5.9554 6.0541 6.0541 8.2094 8.2094 11.4002 11.4002 12.2313 12.2313 13.0695 13.0695 k = 0.5000 0.2887 0.2986 ( 2544 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8382 -13.8382 -13.7839 -13.7839 -13.7351 -13.7351 -5.1295 -5.1295 -4.6231 -4.6231 -0.3428 -0.3428 1.8295 1.8295 4.2759 4.2759 4.8829 4.8829 5.9577 5.9577 6.0554 6.0554 8.2076 8.2076 11.4003 11.4003 12.2356 12.2356 13.0710 13.0710 k = 0.5000 0.2887 0.2871 ( 2540 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8382 -13.8382 -13.7839 -13.7839 -13.7351 -13.7351 -5.1307 -5.1307 -4.6222 -4.6222 -0.3413 -0.3413 1.8335 1.8335 4.2739 4.2739 4.8683 4.8683 5.9642 5.9642 6.0593 6.0593 8.2024 8.2024 11.4005 11.4005 12.2489 12.2489 13.0754 13.0754 k = 0.5000 0.2887 0.2756 ( 2544 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8382 -13.8382 -13.7839 -13.7839 -13.7351 -13.7351 -5.1327 -5.1327 -4.6208 -4.6208 -0.3388 -0.3388 1.8401 1.8401 4.2705 4.2705 4.8447 4.8447 5.9742 5.9742 6.0658 6.0658 8.1943 8.1943 11.4002 11.4002 12.2716 12.2716 13.0821 13.0821 k = 0.5000 0.2887 0.2641 ( 2540 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8382 -13.8382 -13.7839 -13.7839 -13.7351 -13.7351 -5.1355 -5.1355 -4.6187 -4.6187 -0.3353 -0.3353 1.8493 1.8493 4.2658 4.2658 4.8134 4.8134 5.9863 5.9863 6.0746 6.0746 8.1841 8.1841 11.3985 11.3985 12.3043 12.3043 13.0905 13.0905 k = 0.5000 0.2887 0.2527 ( 2544 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8382 -13.8382 -13.7839 -13.7839 -13.7351 -13.7351 -5.1389 -5.1389 -4.6162 -4.6162 -0.3309 -0.3309 1.8609 1.8609 4.2599 4.2599 4.7757 4.7757 5.9991 5.9991 6.0855 6.0855 8.1728 8.1728 11.3946 11.3946 12.3473 12.3473 13.0998 13.0998 k = 0.5000 0.2887 0.2412 ( 2548 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8382 -13.8382 -13.7839 -13.7839 -13.7351 -13.7351 -5.1429 -5.1429 -4.6132 -4.6132 -0.3256 -0.3256 1.8750 1.8750 4.2529 4.2529 4.7328 4.7328 6.0112 6.0112 6.0982 6.0982 8.1615 8.1615 11.3880 11.3880 12.4009 12.4009 13.1090 13.1090 k = 0.5000 0.2887 0.2297 ( 2552 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8381 -13.8381 -13.7839 -13.7839 -13.7351 -13.7351 -5.1475 -5.1475 -4.6099 -4.6099 -0.3194 -0.3194 1.8912 1.8912 4.2448 4.2448 4.6861 4.6861 6.0212 6.0212 6.1125 6.1125 8.1515 8.1515 11.3786 11.3786 12.4643 12.4643 13.1173 13.1173 k = 0.5000 0.2887 0.2182 ( 2552 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8381 -13.8381 -13.7839 -13.7839 -13.7351 -13.7351 -5.1525 -5.1525 -4.6063 -4.6063 -0.3125 -0.3125 1.9095 1.9095 4.2358 4.2358 4.6368 4.6368 6.0280 6.0280 6.1281 6.1281 8.1439 8.1439 11.3664 11.3664 12.5364 12.5364 13.1243 13.1243 k = 0.5000 0.2887 0.2067 ( 2554 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8381 -13.8381 -13.7839 -13.7839 -13.7351 -13.7351 -5.1579 -5.1579 -4.6024 -4.6024 -0.3049 -0.3049 1.9298 1.9298 4.2258 4.2258 4.5859 4.5859 6.0304 6.0304 6.1449 6.1449 8.1396 8.1396 11.3518 11.3518 12.6150 12.6150 13.1299 13.1299 k = 0.5000 0.2887 0.1952 ( 2556 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8381 -13.8381 -13.7839 -13.7839 -13.7351 -13.7351 -5.1635 -5.1635 -4.5983 -4.5983 -0.2966 -0.2966 1.9517 1.9517 4.2149 4.2149 4.5344 4.5344 6.0277 6.0277 6.1627 6.1627 8.1394 8.1394 11.3356 11.3356 12.6969 12.6969 13.1351 13.1351 k = 0.5000 0.2887 0.1837 ( 2560 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8381 -13.8381 -13.7839 -13.7839 -13.7351 -13.7351 -5.1694 -5.1694 -4.5942 -4.5942 -0.2878 -0.2878 1.9751 1.9751 4.2030 4.2030 4.4832 4.4832 6.0194 6.0194 6.1815 6.1815 8.1436 8.1436 11.3182 11.3182 12.7764 12.7764 13.1426 13.1426 k = 0.5000 0.2887 0.1723 ( 2568 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8381 -13.8381 -13.7839 -13.7839 -13.7351 -13.7351 -5.1753 -5.1753 -4.5900 -4.5900 -0.2787 -0.2787 1.9997 1.9997 4.1901 4.1901 4.4332 4.4332 6.0056 6.0056 6.2010 6.2010 8.1525 8.1525 11.3004 11.3004 12.8442 12.8442 13.1566 13.1566 k = 0.5000 0.2887 0.1608 ( 2562 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8381 -13.8381 -13.7839 -13.7839 -13.7351 -13.7351 -5.1813 -5.1813 -4.5858 -4.5858 -0.2691 -0.2691 2.0252 2.0252 4.1760 4.1760 4.3855 4.3855 5.9866 5.9866 6.2210 6.2210 8.1659 8.1659 11.2827 11.2827 12.8889 12.8889 13.1742 13.1742 k = 0.5000 0.2887 0.1493 ( 2550 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8381 -13.8381 -13.7839 -13.7839 -13.7351 -13.7351 -5.1872 -5.1872 -4.5817 -4.5817 -0.2595 -0.2595 2.0514 2.0514 4.1601 4.1601 4.3411 4.3411 5.9630 5.9630 6.2411 6.2411 8.1833 8.1833 11.2656 11.2656 12.9057 12.9057 13.1700 13.1700 k = 0.5000 0.2887 0.1378 ( 2548 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8381 -13.8381 -13.7839 -13.7839 -13.7351 -13.7351 -5.1930 -5.1930 -4.5778 -4.5778 -0.2497 -0.2497 2.0778 2.0778 4.1419 4.1419 4.3011 4.3011 5.9356 5.9356 6.2612 6.2612 8.2042 8.2042 11.2495 11.2495 12.9009 12.9009 13.1406 13.1406 k = 0.5000 0.2887 0.1263 ( 2548 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8381 -13.8381 -13.7839 -13.7839 -13.7351 -13.7351 -5.1986 -5.1986 -4.5740 -4.5740 -0.2401 -0.2401 2.1042 2.1042 4.1209 4.1209 4.2667 4.2667 5.9053 5.9053 6.2808 6.2808 8.2278 8.2278 11.2348 11.2348 12.8829 12.8829 13.1023 13.1023 k = 0.5000 0.2887 0.1148 ( 2552 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8381 -13.8381 -13.7839 -13.7839 -13.7351 -13.7351 -5.2038 -5.2038 -4.5704 -4.5704 -0.2306 -0.2306 2.1301 2.1301 4.0969 4.0969 4.2384 4.2384 5.8733 5.8733 6.2997 6.2997 8.2532 8.2532 11.2218 11.2218 12.8574 12.8574 13.0618 13.0618 k = 0.5000 0.2887 0.1034 ( 2548 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7351 -13.7351 -5.2088 -5.2088 -4.5671 -4.5671 -0.2215 -0.2215 2.1552 2.1552 4.0706 4.0706 4.2161 4.2161 5.8405 5.8405 6.3178 6.3178 8.2794 8.2794 11.2105 11.2105 12.8278 12.8278 13.0217 13.0217 k = 0.5000 0.2887 0.0919 ( 2536 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7351 -13.7351 -5.2134 -5.2134 -4.5640 -4.5640 -0.2129 -0.2129 2.1791 2.1791 4.0434 4.0434 4.1987 4.1987 5.8080 5.8080 6.3346 6.3346 8.3057 8.3057 11.2010 11.2010 12.7962 12.7962 12.9834 12.9834 k = 0.5000 0.2887 0.0804 ( 2540 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7351 -13.7351 -5.2175 -5.2175 -4.5613 -4.5613 -0.2050 -0.2050 2.2014 2.2014 4.0168 4.0168 4.1850 4.1850 5.7767 5.7767 6.3501 6.3501 8.3312 8.3312 11.1932 11.1932 12.7645 12.7645 12.9478 12.9478 k = 0.5000 0.2887 0.0689 ( 2542 PWs) bands (ev): -14.8354 -14.8354 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7351 -13.7351 -5.2212 -5.2212 -4.5589 -4.5589 -0.1977 -0.1977 2.2217 2.2217 3.9921 3.9921 4.1743 4.1743 5.7476 5.7476 6.3639 6.3639 8.3550 8.3550 11.1872 11.1872 12.7338 12.7338 12.9156 12.9156 k = 0.5000 0.2887 0.0574 ( 2538 PWs) bands (ev): -14.8353 -14.8353 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7351 -13.7351 -5.2244 -5.2244 -4.5568 -4.5568 -0.1914 -0.1914 2.2396 2.2396 3.9700 3.9700 4.1658 4.1658 5.7215 5.7215 6.3759 6.3759 8.3765 8.3765 11.1827 11.1827 12.7054 12.7054 12.8876 12.8876 k = 0.5000 0.2887 0.0459 ( 2546 PWs) bands (ev): -14.8353 -14.8353 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7351 -13.7351 -5.2270 -5.2270 -4.5551 -4.5551 -0.1861 -0.1861 2.2548 2.2548 3.9513 3.9513 4.1592 4.1592 5.6990 5.6990 6.3860 6.3860 8.3950 8.3950 11.1795 11.1795 12.6803 12.6803 12.8642 12.8642 k = 0.5000 0.2887 0.0345 ( 2542 PWs) bands (ev): -14.8353 -14.8353 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7351 -13.7351 -5.2291 -5.2291 -4.5537 -4.5537 -0.1818 -0.1818 2.2669 2.2669 3.9364 3.9364 4.1542 4.1542 5.6810 5.6810 6.3940 6.3940 8.4099 8.4099 11.1773 11.1773 12.6597 12.6597 12.8457 12.8457 k = 0.5000 0.2887 0.0230 ( 2542 PWs) bands (ev): -14.8353 -14.8353 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7351 -13.7351 -5.2306 -5.2306 -4.5528 -4.5528 -0.1787 -0.1787 2.2758 2.2758 3.9256 3.9256 4.1508 4.1508 5.6677 5.6677 6.3998 6.3998 8.4209 8.4209 11.1760 11.1760 12.6443 12.6443 12.8324 12.8324 k = 0.5000 0.2887 0.0115 ( 2538 PWs) bands (ev): -14.8353 -14.8353 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7351 -13.7351 -5.2315 -5.2315 -4.5522 -4.5522 -0.1769 -0.1769 2.2812 2.2812 3.9190 3.9190 4.1487 4.1487 5.6596 5.6596 6.4033 6.4033 8.4276 8.4276 11.1753 11.1753 12.6348 12.6348 12.8243 12.8243 k = 0.5000 0.2887-0.0000 ( 2546 PWs) bands (ev): -14.8353 -14.8353 -14.8053 -14.8053 -13.8380 -13.8380 -13.7839 -13.7839 -13.7351 -13.7351 -5.2318 -5.2318 -4.5520 -4.5520 -0.1762 -0.1762 2.2830 2.2830 3.9168 3.9168 4.1480 4.1480 5.6568 5.6568 6.4044 6.4044 8.4298 8.4298 11.1751 11.1751 12.6315 12.6315 12.8216 12.8216 k = 0.3333 0.5774-0.0000 ( 2520 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8143 -13.8143 -13.8041 -13.8041 -13.7437 -13.7437 -4.6628 -4.6628 -4.6442 -4.6442 -0.5139 -0.5139 3.0473 3.0473 3.1500 3.1500 3.4685 3.4685 5.2776 5.2776 5.2827 5.2827 8.7481 8.7481 13.5687 13.5687 13.7951 13.7951 14.4733 14.4733 k = 0.3333 0.5774 0.0115 ( 2529 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8143 -13.8143 -13.8041 -13.8041 -13.7437 -13.7437 -4.6628 -4.6628 -4.6441 -4.6441 -0.5137 -0.5137 3.0450 3.0450 3.1476 3.1476 3.4671 3.4671 5.2816 5.2816 5.2866 5.2866 8.7513 8.7513 13.5619 13.5619 13.7879 13.7879 14.4700 14.4700 k = 0.3333 0.5774 0.0230 ( 2526 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8143 -13.8143 -13.8041 -13.8041 -13.7437 -13.7437 -4.6626 -4.6626 -4.6439 -4.6439 -0.5129 -0.5129 3.0382 3.0382 3.1403 3.1403 3.4628 3.4628 5.2935 5.2935 5.2984 5.2984 8.7608 8.7608 13.5416 13.5416 13.7664 13.7664 14.4606 14.4606 k = 0.3333 0.5774 0.0345 ( 2526 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8143 -13.8143 -13.8041 -13.8041 -13.7437 -13.7437 -4.6623 -4.6623 -4.6436 -4.6436 -0.5116 -0.5116 3.0270 3.0270 3.1285 3.1285 3.4557 3.4557 5.3130 5.3130 5.3178 5.3178 8.7765 8.7765 13.5086 13.5086 13.7315 13.7315 14.4464 14.4464 k = 0.3333 0.5774 0.0459 ( 2520 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8143 -13.8143 -13.8041 -13.8041 -13.7437 -13.7437 -4.6618 -4.6618 -4.6431 -4.6431 -0.5098 -0.5098 3.0118 3.0118 3.1124 3.1124 3.4460 3.4460 5.3397 5.3397 5.3444 5.3444 8.7983 8.7983 13.4638 13.4638 13.6844 13.6844 14.4284 14.4284 k = 0.3333 0.5774 0.0574 ( 2520 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8144 -13.8144 -13.8041 -13.8041 -13.7437 -13.7437 -4.6612 -4.6612 -4.6426 -4.6426 -0.5075 -0.5075 2.9931 2.9931 3.0926 3.0926 3.4339 3.4339 5.3730 5.3730 5.3776 5.3776 8.8259 8.8259 13.4085 13.4085 13.6265 13.6265 14.4075 14.4075 k = 0.3333 0.5774 0.0689 ( 2523 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8144 -13.8144 -13.8041 -13.8041 -13.7437 -13.7437 -4.6605 -4.6605 -4.6419 -4.6419 -0.5048 -0.5048 2.9712 2.9712 3.0696 3.0696 3.4195 3.4195 5.4124 5.4124 5.4168 5.4168 8.8589 8.8589 13.3439 13.3439 13.5594 13.5594 14.3840 14.3840 k = 0.3333 0.5774 0.0804 ( 2523 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8144 -13.8144 -13.8041 -13.8041 -13.7437 -13.7437 -4.6597 -4.6597 -4.6411 -4.6411 -0.5017 -0.5017 2.9467 2.9467 3.0439 3.0439 3.4031 3.4031 5.4570 5.4570 5.4614 5.4614 8.8972 8.8972 13.2717 13.2717 13.4847 13.4847 14.3583 14.3583 k = 0.3333 0.5774 0.0919 ( 2529 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8144 -13.8144 -13.8041 -13.8041 -13.7437 -13.7437 -4.6589 -4.6589 -4.6402 -4.6402 -0.4982 -0.4982 2.9201 2.9201 3.0162 3.0162 3.3851 3.3851 5.5062 5.5062 5.5106 5.5106 8.9401 8.9401 13.1931 13.1931 13.4038 13.4038 14.3305 14.3305 k = 0.3333 0.5774 0.1034 ( 2535 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8144 -13.8144 -13.8041 -13.8041 -13.7437 -13.7437 -4.6579 -4.6579 -4.6392 -4.6392 -0.4943 -0.4943 2.8920 2.8920 2.9870 2.9870 3.3656 3.3656 5.5591 5.5591 5.5637 5.5637 8.9873 8.9873 13.1095 13.1095 13.3182 13.3182 14.3009 14.3009 k = 0.3333 0.5774 0.1148 ( 2541 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8144 -13.8144 -13.8041 -13.8041 -13.7437 -13.7437 -4.6569 -4.6569 -4.6382 -4.6382 -0.4902 -0.4902 2.8629 2.8629 2.9567 2.9567 3.3449 3.3449 5.6151 5.6151 5.6198 5.6198 9.0382 9.0382 13.0223 13.0223 13.2294 13.2294 14.2694 14.2694 k = 0.3333 0.5774 0.1263 ( 2541 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8144 -13.8144 -13.8041 -13.8041 -13.7437 -13.7437 -4.6558 -4.6558 -4.6371 -4.6371 -0.4858 -0.4858 2.8333 2.8333 2.9260 2.9260 3.3234 3.3234 5.6733 5.6733 5.6784 5.6784 9.0922 9.0922 12.9327 12.9327 13.1384 13.1384 14.2365 14.2365 k = 0.3333 0.5774 0.1378 ( 2541 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8144 -13.8144 -13.8041 -13.8041 -13.7437 -13.7437 -4.6547 -4.6547 -4.6360 -4.6360 -0.4812 -0.4812 2.8036 2.8036 2.8953 2.8953 3.3014 3.3014 5.7331 5.7331 5.7386 5.7386 9.1488 9.1488 12.8419 12.8419 13.0464 13.0464 14.2022 14.2022 k = 0.3333 0.5774 0.1493 ( 2541 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8144 -13.8144 -13.8041 -13.8041 -13.7437 -13.7437 -4.6535 -4.6535 -4.6349 -4.6349 -0.4766 -0.4766 2.7741 2.7741 2.8650 2.8650 3.2792 3.2792 5.7936 5.7936 5.7997 5.7997 9.2072 9.2072 12.7509 12.7509 12.9546 12.9546 14.1668 14.1668 k = 0.3333 0.5774 0.1608 ( 2541 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8144 -13.8144 -13.8041 -13.8041 -13.7437 -13.7437 -4.6523 -4.6523 -4.6337 -4.6337 -0.4718 -0.4718 2.7454 2.7454 2.8354 2.8354 3.2570 3.2570 5.8542 5.8542 5.8610 5.8610 9.2669 9.2669 12.6607 12.6607 12.8640 12.8640 14.1306 14.1306 k = 0.3333 0.5774 0.1723 ( 2541 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6512 -4.6512 -4.6326 -4.6326 -0.4671 -0.4671 2.7176 2.7176 2.8068 2.8068 3.2352 3.2352 5.9141 5.9141 5.9217 5.9217 9.3269 9.3269 12.5724 12.5724 12.7754 12.7754 14.0939 14.0939 k = 0.3333 0.5774 0.1837 ( 2535 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6501 -4.6501 -4.6314 -4.6314 -0.4624 -0.4624 2.6911 2.6911 2.7797 2.7797 3.2141 3.2141 5.9727 5.9727 5.9811 5.9811 9.3867 9.3867 12.4868 12.4868 12.6899 12.6899 14.0572 14.0572 k = 0.3333 0.5774 0.1952 ( 2538 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6490 -4.6490 -4.6304 -4.6304 -0.4579 -0.4579 2.6662 2.6662 2.7541 2.7541 3.1938 3.1938 6.0291 6.0291 6.0385 6.0385 9.4453 9.4453 12.4050 12.4050 12.6082 12.6082 14.0209 14.0209 k = 0.3333 0.5774 0.2067 ( 2532 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6479 -4.6479 -4.6293 -4.6293 -0.4536 -0.4536 2.6430 2.6430 2.7304 2.7304 3.1747 3.1747 6.0829 6.0829 6.0931 6.0931 9.5019 9.5019 12.3277 12.3277 12.5313 12.5313 13.9855 13.9855 k = 0.3333 0.5774 0.2182 ( 2556 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6470 -4.6470 -4.6284 -4.6284 -0.4495 -0.4495 2.6218 2.6218 2.7087 2.7087 3.1569 3.1569 6.1332 6.1332 6.1444 6.1444 9.5557 9.5557 12.2559 12.2559 12.4599 12.4599 13.9515 13.9515 k = 0.3333 0.5774 0.2297 ( 2565 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6461 -4.6461 -4.6275 -4.6275 -0.4457 -0.4457 2.6027 2.6027 2.6892 2.6892 3.1407 3.1407 6.1794 6.1794 6.1916 6.1916 9.6058 9.6058 12.1903 12.1903 12.3948 12.3948 13.9195 13.9195 k = 0.3333 0.5774 0.2412 ( 2571 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6453 -4.6453 -4.6267 -4.6267 -0.4424 -0.4424 2.5858 2.5858 2.6721 2.6721 3.1263 3.1263 6.2209 6.2209 6.2340 6.2340 9.6513 9.6513 12.1316 12.1316 12.3368 12.3368 13.8902 13.8902 k = 0.3333 0.5774 0.2527 ( 2577 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6446 -4.6446 -4.6260 -4.6260 -0.4394 -0.4394 2.5714 2.5714 2.6574 2.6574 3.1138 3.1138 6.2571 6.2571 6.2711 6.2711 9.6916 9.6916 12.0807 12.0807 12.2864 12.2864 13.8640 13.8640 k = 0.3333 0.5774 0.2641 ( 2577 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6440 -4.6440 -4.6254 -4.6254 -0.4369 -0.4369 2.5594 2.5594 2.6452 2.6452 3.1034 3.1034 6.2875 6.2875 6.3023 6.3023 9.7257 9.7257 12.0381 12.0381 12.2443 12.2443 13.8417 13.8417 k = 0.3333 0.5774 0.2756 ( 2577 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6435 -4.6435 -4.6249 -4.6249 -0.4350 -0.4350 2.5501 2.5501 2.6357 2.6357 3.0952 3.0952 6.3117 6.3117 6.3271 6.3271 9.7530 9.7530 12.0043 12.0043 12.2111 12.2111 13.8237 13.8237 k = 0.3333 0.5774 0.2871 ( 2568 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6432 -4.6432 -4.6246 -4.6246 -0.4335 -0.4335 2.5433 2.5433 2.6288 2.6288 3.0893 3.0893 6.3293 6.3293 6.3451 6.3451 9.7729 9.7729 11.9799 11.9799 12.1870 12.1870 13.8105 13.8105 k = 0.3333 0.5774 0.2986 ( 2568 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6430 -4.6430 -4.6244 -4.6244 -0.4326 -0.4326 2.5393 2.5393 2.6247 2.6247 3.0857 3.0857 6.3399 6.3399 6.3560 6.3560 9.7850 9.7850 11.9651 11.9651 12.1724 12.1724 13.8025 13.8025 k = 0.3333 0.5774 0.3101 ( 2556 PWs) bands (ev): -14.8217 -14.8217 -14.8156 -14.8156 -13.8145 -13.8145 -13.8041 -13.8041 -13.7437 -13.7437 -4.6429 -4.6429 -4.6243 -4.6243 -0.4324 -0.4324 2.5379 2.5379 2.6233 2.6233 3.0845 3.0845 6.3435 6.3435 6.3597 6.3597 9.7891 9.7891 11.9601 11.9601 12.1675 12.1675 13.7998 13.7998 Writing output data file SnS2.save init_run : 0.18s CPU 0.29s WALL ( 1 calls) electrons : 57.35s CPU 58.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 57.34s CPU 58.79s 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 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 364 calls) cegterg : 52.09s CPU 53.11s WALL ( 365 calls) Called by sum_band: Called by *egterg: h_psi : 26.85s CPU 27.63s WALL ( 6225 calls) s_psi : 1.70s CPU 1.85s WALL ( 6225 calls) g_psi : 0.07s CPU 0.09s WALL ( 5496 calls) cdiaghg : 21.71s CPU 22.04s WALL ( 5860 calls) cegterg:over : 1.79s CPU 1.90s WALL ( 5496 calls) cegterg:upda : 1.42s CPU 1.32s WALL ( 5496 calls) cegterg:last : 0.91s CPU 0.89s WALL ( 1093 calls) cdiaghg:chol : 1.21s CPU 1.14s WALL ( 5860 calls) cdiaghg:inve : 0.52s CPU 0.53s WALL ( 5860 calls) cdiaghg:para : 1.21s CPU 1.33s WALL ( 11720 calls) Called by h_psi: h_psi:vloc : 22.70s CPU 23.41s WALL ( 6225 calls) h_psi:vnl : 4.12s CPU 4.16s WALL ( 6225 calls) add_vuspsi : 2.31s CPU 2.32s WALL ( 6225 calls) General routines calbec : 1.79s CPU 1.83s WALL ( 6225 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 21.33s CPU 21.90s WALL ( 468548 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.14s WALL ( 728 calls) Parallel routines fft_scatter : 10.76s CPU 11.05s WALL ( 468571 calls) PWSCF : 1m 7.21s CPU 1m25.31s WALL This run was terminated on: 21:12:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=