Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:49:39 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: ./TiBr2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 28 28 8 1336 1336 206 Max 29 29 9 1345 1345 213 Sum 1039 1039 301 48303 48303 7489 bravais-lattice index = 14 lattice parameter (alat) = 6.8578 a.u. unit-cell volume = 499.6658 (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 = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.857816 celldm(2)= 1.000000 celldm(3)= 1.788923 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 1.788923 ) 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 0.558996 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Ti 12.00 47.86700 Ti( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0027933 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0027933 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0027933 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0027933 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0027933 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0027933 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0027933 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0027933 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0027933 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0027933 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0027933 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0027933 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0027933 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0027933 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0027933 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0027933 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0027933 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0027933 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0027933 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0027933 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0027933 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0027933 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0027933 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0027933 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0027933 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0027933 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0027933 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0027933 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0027933 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0027933 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0027933 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0027933 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0027933 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0027933 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0027933 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0027933 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0027933 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0027933 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0027933 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0027933 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0027933 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0027933 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027933 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027933 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0027933 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0027933 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0027933 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0027933 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0027933 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0027933 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0027933 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0027933 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0027933 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0027933 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0027933 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0027933 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0027933 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0027933 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0027933 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0027933 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0027933 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0027933 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0027933 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0027933 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0027933 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0027933 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0027933 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0027933 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0027933 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0027933 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0027933 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0027933 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027933 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027933 k( 83) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0027933 k( 84) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0027933 k( 85) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0027933 k( 86) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0027933 k( 87) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0027933 k( 88) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0027933 k( 89) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0027933 k( 90) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0027933 k( 91) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0027933 k( 92) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0027933 k( 93) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0027933 k( 94) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0027933 k( 95) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0027933 k( 96) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0027933 k( 97) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0027933 k( 98) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0027933 k( 99) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0027933 k( 100) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0027933 k( 101) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0027933 k( 102) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0027933 k( 103) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0027933 k( 104) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0027933 k( 105) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0027933 k( 106) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0027933 k( 107) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0027933 k( 108) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0027933 k( 109) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0027933 k( 110) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0027933 k( 111) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027933 k( 112) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0027933 k( 113) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0027933 k( 114) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0027933 k( 115) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0027933 k( 116) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0027933 k( 117) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0027933 k( 118) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0027933 k( 119) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0027933 k( 120) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0027933 k( 121) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0027933 k( 122) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0027933 k( 123) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0027933 k( 124) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0027933 k( 125) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0027933 k( 126) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0027933 k( 127) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0027933 k( 128) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0027933 k( 129) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0027933 k( 130) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0027933 k( 131) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0027933 k( 132) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0027933 k( 133) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0027933 k( 134) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0027933 k( 135) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0027933 k( 136) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0027933 k( 137) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0027933 k( 138) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0027933 k( 139) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0027933 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 142) = ( 0.0000000 0.0000000 0.0111799), wk = 0.0027933 k( 143) = ( 0.0000000 0.0000000 0.0223598), wk = 0.0027933 k( 144) = ( 0.0000000 0.0000000 0.0335397), wk = 0.0027933 k( 145) = ( 0.0000000 0.0000000 0.0447197), wk = 0.0027933 k( 146) = ( 0.0000000 0.0000000 0.0558996), wk = 0.0027933 k( 147) = ( 0.0000000 0.0000000 0.0670795), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.0782594), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.0894393), wk = 0.0027933 k( 150) = ( 0.0000000 0.0000000 0.1006192), wk = 0.0027933 k( 151) = ( 0.0000000 0.0000000 0.1117991), wk = 0.0027933 k( 152) = ( 0.0000000 0.0000000 0.1229791), wk = 0.0027933 k( 153) = ( 0.0000000 0.0000000 0.1341590), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.1453389), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.1565188), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.1676987), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.1788786), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.1900585), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.2012384), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.2124184), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.2235983), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.2347782), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.2459581), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.2571380), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.2683179), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.2794978), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.2794978), wk = 0.0027933 k( 168) = ( 0.0100000 0.0057735 0.2794978), wk = 0.0027933 k( 169) = ( 0.0200000 0.0115470 0.2794978), wk = 0.0027933 k( 170) = ( 0.0300000 0.0173205 0.2794978), wk = 0.0027933 k( 171) = ( 0.0400000 0.0230940 0.2794978), wk = 0.0027933 k( 172) = ( 0.0500000 0.0288675 0.2794978), wk = 0.0027933 k( 173) = ( 0.0600000 0.0346410 0.2794978), wk = 0.0027933 k( 174) = ( 0.0700000 0.0404145 0.2794978), wk = 0.0027933 k( 175) = ( 0.0800000 0.0461880 0.2794978), wk = 0.0027933 k( 176) = ( 0.0900000 0.0519615 0.2794978), wk = 0.0027933 k( 177) = ( 0.1000000 0.0577350 0.2794978), wk = 0.0027933 k( 178) = ( 0.1100000 0.0635085 0.2794978), wk = 0.0027933 k( 179) = ( 0.1200000 0.0692820 0.2794978), wk = 0.0027933 k( 180) = ( 0.1300000 0.0750555 0.2794978), wk = 0.0027933 k( 181) = ( 0.1400000 0.0808290 0.2794978), wk = 0.0027933 k( 182) = ( 0.1500000 0.0866025 0.2794978), wk = 0.0027933 k( 183) = ( 0.1600000 0.0923760 0.2794978), wk = 0.0027933 k( 184) = ( 0.1700000 0.0981495 0.2794978), wk = 0.0027933 k( 185) = ( 0.1800000 0.1039230 0.2794978), wk = 0.0027933 k( 186) = ( 0.1900000 0.1096966 0.2794978), wk = 0.0027933 k( 187) = ( 0.2000000 0.1154701 0.2794978), wk = 0.0027933 k( 188) = ( 0.2100000 0.1212436 0.2794978), wk = 0.0027933 k( 189) = ( 0.2200000 0.1270171 0.2794978), wk = 0.0027933 k( 190) = ( 0.2300000 0.1327906 0.2794978), wk = 0.0027933 k( 191) = ( 0.2400000 0.1385641 0.2794978), wk = 0.0027933 k( 192) = ( 0.2500000 0.1443376 0.2794978), wk = 0.0027933 k( 193) = ( 0.2600000 0.1501111 0.2794978), wk = 0.0027933 k( 194) = ( 0.2700000 0.1558846 0.2794978), wk = 0.0027933 k( 195) = ( 0.2800000 0.1616581 0.2794978), wk = 0.0027933 k( 196) = ( 0.2900000 0.1674316 0.2794978), wk = 0.0027933 k( 197) = ( 0.3000000 0.1732051 0.2794978), wk = 0.0027933 k( 198) = ( 0.3100000 0.1789786 0.2794978), wk = 0.0027933 k( 199) = ( 0.3200000 0.1847521 0.2794978), wk = 0.0027933 k( 200) = ( 0.3300000 0.1905256 0.2794978), wk = 0.0027933 k( 201) = ( 0.3400000 0.1962991 0.2794978), wk = 0.0027933 k( 202) = ( 0.3500000 0.2020726 0.2794978), wk = 0.0027933 k( 203) = ( 0.3600000 0.2078461 0.2794978), wk = 0.0027933 k( 204) = ( 0.3700000 0.2136196 0.2794978), wk = 0.0027933 k( 205) = ( 0.3800000 0.2193931 0.2794978), wk = 0.0027933 k( 206) = ( 0.3900000 0.2251666 0.2794978), wk = 0.0027933 k( 207) = ( 0.4000000 0.2309401 0.2794978), wk = 0.0027933 k( 208) = ( 0.4100000 0.2367136 0.2794978), wk = 0.0027933 k( 209) = ( 0.4200000 0.2424871 0.2794978), wk = 0.0027933 k( 210) = ( 0.4300000 0.2482606 0.2794978), wk = 0.0027933 k( 211) = ( 0.4400000 0.2540341 0.2794978), wk = 0.0027933 k( 212) = ( 0.4500000 0.2598076 0.2794978), wk = 0.0027933 k( 213) = ( 0.4600000 0.2655811 0.2794978), wk = 0.0027933 k( 214) = ( 0.4700000 0.2713546 0.2794978), wk = 0.0027933 k( 215) = ( 0.4800000 0.2771281 0.2794978), wk = 0.0027933 k( 216) = ( 0.4900000 0.2829016 0.2794978), wk = 0.0027933 k( 217) = ( 0.5000000 0.2886751 0.2794978), wk = 0.0027933 k( 218) = ( 0.5000000 0.2886751 0.2794978), wk = 0.0027933 k( 219) = ( 0.4942529 0.2986294 0.2794978), wk = 0.0027933 k( 220) = ( 0.4885058 0.3085838 0.2794978), wk = 0.0027933 k( 221) = ( 0.4827586 0.3185381 0.2794978), wk = 0.0027933 k( 222) = ( 0.4770115 0.3284924 0.2794978), wk = 0.0027933 k( 223) = ( 0.4712644 0.3384467 0.2794978), wk = 0.0027933 k( 224) = ( 0.4655172 0.3484010 0.2794978), wk = 0.0027933 k( 225) = ( 0.4597701 0.3583553 0.2794978), wk = 0.0027933 k( 226) = ( 0.4540230 0.3683097 0.2794978), wk = 0.0027933 k( 227) = ( 0.4482759 0.3782640 0.2794978), wk = 0.0027933 k( 228) = ( 0.4425287 0.3882183 0.2794978), wk = 0.0027933 k( 229) = ( 0.4367816 0.3981726 0.2794978), wk = 0.0027933 k( 230) = ( 0.4310345 0.4081269 0.2794978), wk = 0.0027933 k( 231) = ( 0.4252874 0.4180812 0.2794978), wk = 0.0027933 k( 232) = ( 0.4195402 0.4280355 0.2794978), wk = 0.0027933 k( 233) = ( 0.4137931 0.4379899 0.2794978), wk = 0.0027933 k( 234) = ( 0.4080460 0.4479442 0.2794978), wk = 0.0027933 k( 235) = ( 0.4022988 0.4578985 0.2794978), wk = 0.0027933 k( 236) = ( 0.3965517 0.4678528 0.2794978), wk = 0.0027933 k( 237) = ( 0.3908046 0.4778071 0.2794978), wk = 0.0027933 k( 238) = ( 0.3850575 0.4877614 0.2794978), wk = 0.0027933 k( 239) = ( 0.3793103 0.4977157 0.2794978), wk = 0.0027933 k( 240) = ( 0.3735632 0.5076701 0.2794978), wk = 0.0027933 k( 241) = ( 0.3678161 0.5176244 0.2794978), wk = 0.0027933 k( 242) = ( 0.3620690 0.5275787 0.2794978), wk = 0.0027933 k( 243) = ( 0.3563218 0.5375330 0.2794978), wk = 0.0027933 k( 244) = ( 0.3505747 0.5474873 0.2794978), wk = 0.0027933 k( 245) = ( 0.3448276 0.5574416 0.2794978), wk = 0.0027933 k( 246) = ( 0.3390805 0.5673960 0.2794978), wk = 0.0027933 k( 247) = ( 0.3333333 0.5773503 0.2794978), wk = 0.0027933 k( 248) = ( 0.3333333 0.5773503 0.2794978), wk = 0.0027933 k( 249) = ( 0.3275862 0.5673960 0.2794978), wk = 0.0027933 k( 250) = ( 0.3218391 0.5574416 0.2794978), wk = 0.0027933 k( 251) = ( 0.3160920 0.5474873 0.2794978), wk = 0.0027933 k( 252) = ( 0.3103448 0.5375330 0.2794978), wk = 0.0027933 k( 253) = ( 0.3045977 0.5275787 0.2794978), wk = 0.0027933 k( 254) = ( 0.2988506 0.5176244 0.2794978), wk = 0.0027933 k( 255) = ( 0.2931034 0.5076701 0.2794978), wk = 0.0027933 k( 256) = ( 0.2873563 0.4977157 0.2794978), wk = 0.0027933 k( 257) = ( 0.2816092 0.4877614 0.2794978), wk = 0.0027933 k( 258) = ( 0.2758621 0.4778071 0.2794978), wk = 0.0027933 k( 259) = ( 0.2701149 0.4678528 0.2794978), wk = 0.0027933 k( 260) = ( 0.2643678 0.4578985 0.2794978), wk = 0.0027933 k( 261) = ( 0.2586207 0.4479442 0.2794978), wk = 0.0027933 k( 262) = ( 0.2528736 0.4379899 0.2794978), wk = 0.0027933 k( 263) = ( 0.2471264 0.4280355 0.2794978), wk = 0.0027933 k( 264) = ( 0.2413793 0.4180812 0.2794978), wk = 0.0027933 k( 265) = ( 0.2356322 0.4081269 0.2794978), wk = 0.0027933 k( 266) = ( 0.2298851 0.3981726 0.2794978), wk = 0.0027933 k( 267) = ( 0.2241379 0.3882183 0.2794978), wk = 0.0027933 k( 268) = ( 0.2183908 0.3782640 0.2794978), wk = 0.0027933 k( 269) = ( 0.2126437 0.3683097 0.2794978), wk = 0.0027933 k( 270) = ( 0.2068966 0.3583553 0.2794978), wk = 0.0027933 k( 271) = ( 0.2011494 0.3484010 0.2794978), wk = 0.0027933 k( 272) = ( 0.1954023 0.3384467 0.2794978), wk = 0.0027933 k( 273) = ( 0.1896552 0.3284924 0.2794978), wk = 0.0027933 k( 274) = ( 0.1839080 0.3185381 0.2794978), wk = 0.0027933 k( 275) = ( 0.1781609 0.3085838 0.2794978), wk = 0.0027933 k( 276) = ( 0.1724138 0.2986294 0.2794978), wk = 0.0027933 k( 277) = ( 0.1666667 0.2886751 0.2794978), wk = 0.0027933 k( 278) = ( 0.1609195 0.2787208 0.2794978), wk = 0.0027933 k( 279) = ( 0.1551724 0.2687665 0.2794978), wk = 0.0027933 k( 280) = ( 0.1494253 0.2588122 0.2794978), wk = 0.0027933 k( 281) = ( 0.1436782 0.2488579 0.2794978), wk = 0.0027933 k( 282) = ( 0.1379310 0.2389036 0.2794978), wk = 0.0027933 k( 283) = ( 0.1321839 0.2289492 0.2794978), wk = 0.0027933 k( 284) = ( 0.1264368 0.2189949 0.2794978), wk = 0.0027933 k( 285) = ( 0.1206897 0.2090406 0.2794978), wk = 0.0027933 k( 286) = ( 0.1149425 0.1990863 0.2794978), wk = 0.0027933 k( 287) = ( 0.1091954 0.1891320 0.2794978), wk = 0.0027933 k( 288) = ( 0.1034483 0.1791777 0.2794978), wk = 0.0027933 k( 289) = ( 0.0977012 0.1692234 0.2794978), wk = 0.0027933 k( 290) = ( 0.0919540 0.1592690 0.2794978), wk = 0.0027933 k( 291) = ( 0.0862069 0.1493147 0.2794978), wk = 0.0027933 k( 292) = ( 0.0804598 0.1393604 0.2794978), wk = 0.0027933 k( 293) = ( 0.0747126 0.1294061 0.2794978), wk = 0.0027933 k( 294) = ( 0.0689655 0.1194518 0.2794978), wk = 0.0027933 k( 295) = ( 0.0632184 0.1094975 0.2794978), wk = 0.0027933 k( 296) = ( 0.0574713 0.0995431 0.2794978), wk = 0.0027933 k( 297) = ( 0.0517241 0.0895888 0.2794978), wk = 0.0027933 k( 298) = ( 0.0459770 0.0796345 0.2794978), wk = 0.0027933 k( 299) = ( 0.0402299 0.0696802 0.2794978), wk = 0.0027933 k( 300) = ( 0.0344828 0.0597259 0.2794978), wk = 0.0027933 k( 301) = ( 0.0287356 0.0497716 0.2794978), wk = 0.0027933 k( 302) = ( 0.0229885 0.0398173 0.2794978), wk = 0.0027933 k( 303) = ( 0.0172414 0.0298629 0.2794978), wk = 0.0027933 k( 304) = ( 0.0114942 0.0199086 0.2794978), wk = 0.0027933 k( 305) = ( 0.0057471 0.0099543 0.2794978), wk = 0.0027933 k( 306) = ( 0.0000000 0.0000000 0.2794978), wk = 0.0027933 k( 307) = ( 0.5000000 0.2886751 0.2794978), wk = 0.0027933 k( 308) = ( 0.5000000 0.2886751 0.2683179), wk = 0.0027933 k( 309) = ( 0.5000000 0.2886751 0.2571380), wk = 0.0027933 k( 310) = ( 0.5000000 0.2886751 0.2459581), wk = 0.0027933 k( 311) = ( 0.5000000 0.2886751 0.2347782), wk = 0.0027933 k( 312) = ( 0.5000000 0.2886751 0.2235983), wk = 0.0027933 k( 313) = ( 0.5000000 0.2886751 0.2124184), wk = 0.0027933 k( 314) = ( 0.5000000 0.2886751 0.2012384), wk = 0.0027933 k( 315) = ( 0.5000000 0.2886751 0.1900585), wk = 0.0027933 k( 316) = ( 0.5000000 0.2886751 0.1788786), wk = 0.0027933 k( 317) = ( 0.5000000 0.2886751 0.1676987), wk = 0.0027933 k( 318) = ( 0.5000000 0.2886751 0.1565188), wk = 0.0027933 k( 319) = ( 0.5000000 0.2886751 0.1453389), wk = 0.0027933 k( 320) = ( 0.5000000 0.2886751 0.1341590), wk = 0.0027933 k( 321) = ( 0.5000000 0.2886751 0.1229791), wk = 0.0027933 k( 322) = ( 0.5000000 0.2886751 0.1117991), wk = 0.0027933 k( 323) = ( 0.5000000 0.2886751 0.1006192), wk = 0.0027933 k( 324) = ( 0.5000000 0.2886751 0.0894393), wk = 0.0027933 k( 325) = ( 0.5000000 0.2886751 0.0782594), wk = 0.0027933 k( 326) = ( 0.5000000 0.2886751 0.0670795), wk = 0.0027933 k( 327) = ( 0.5000000 0.2886751 0.0558996), wk = 0.0027933 k( 328) = ( 0.5000000 0.2886751 0.0447197), wk = 0.0027933 k( 329) = ( 0.5000000 0.2886751 0.0335397), wk = 0.0027933 k( 330) = ( 0.5000000 0.2886751 0.0223598), wk = 0.0027933 k( 331) = ( 0.5000000 0.2886751 0.0111799), wk = 0.0027933 k( 332) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027933 k( 333) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027933 k( 334) = ( 0.3333333 0.5773503 0.0111799), wk = 0.0027933 k( 335) = ( 0.3333333 0.5773503 0.0223598), wk = 0.0027933 k( 336) = ( 0.3333333 0.5773503 0.0335397), wk = 0.0027933 k( 337) = ( 0.3333333 0.5773503 0.0447197), wk = 0.0027933 k( 338) = ( 0.3333333 0.5773503 0.0558996), wk = 0.0027933 k( 339) = ( 0.3333333 0.5773503 0.0670795), wk = 0.0027933 k( 340) = ( 0.3333333 0.5773503 0.0782594), wk = 0.0027933 k( 341) = ( 0.3333333 0.5773503 0.0894393), wk = 0.0027933 k( 342) = ( 0.3333333 0.5773503 0.1006192), wk = 0.0027933 k( 343) = ( 0.3333333 0.5773503 0.1117991), wk = 0.0027933 k( 344) = ( 0.3333333 0.5773503 0.1229791), wk = 0.0027933 k( 345) = ( 0.3333333 0.5773503 0.1341590), wk = 0.0027933 k( 346) = ( 0.3333333 0.5773503 0.1453389), wk = 0.0027933 k( 347) = ( 0.3333333 0.5773503 0.1565188), wk = 0.0027933 k( 348) = ( 0.3333333 0.5773503 0.1676987), wk = 0.0027933 k( 349) = ( 0.3333333 0.5773503 0.1788786), wk = 0.0027933 k( 350) = ( 0.3333333 0.5773503 0.1900585), wk = 0.0027933 k( 351) = ( 0.3333333 0.5773503 0.2012384), wk = 0.0027933 k( 352) = ( 0.3333333 0.5773503 0.2124184), wk = 0.0027933 k( 353) = ( 0.3333333 0.5773503 0.2235983), wk = 0.0027933 k( 354) = ( 0.3333333 0.5773503 0.2347782), wk = 0.0027933 k( 355) = ( 0.3333333 0.5773503 0.2459581), wk = 0.0027933 k( 356) = ( 0.3333333 0.5773503 0.2571380), wk = 0.0027933 k( 357) = ( 0.3333333 0.5773503 0.2683179), wk = 0.0027933 k( 358) = ( 0.3333333 0.5773503 0.2794978), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0100000 0.0000000 0.0000000), wk = 0.0027933 k( 3) = ( 0.0200000 0.0000000 0.0000000), wk = 0.0027933 k( 4) = ( 0.0300000 0.0000000 0.0000000), wk = 0.0027933 k( 5) = ( 0.0400000 0.0000000 0.0000000), wk = 0.0027933 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0027933 k( 8) = ( 0.0700000 0.0000000 0.0000000), wk = 0.0027933 k( 9) = ( 0.0800000 0.0000000 0.0000000), wk = 0.0027933 k( 10) = ( 0.0900000 -0.0000000 0.0000000), wk = 0.0027933 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0027933 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0027933 k( 13) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0027933 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0027933 k( 15) = ( 0.1400000 0.0000000 0.0000000), wk = 0.0027933 k( 16) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0027933 k( 17) = ( 0.1600000 0.0000000 0.0000000), wk = 0.0027933 k( 18) = ( 0.1700000 0.0000000 0.0000000), wk = 0.0027933 k( 19) = ( 0.1800000 -0.0000000 0.0000000), wk = 0.0027933 k( 20) = ( 0.1900000 -0.0000000 0.0000000), wk = 0.0027933 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0027933 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0027933 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0027933 k( 24) = ( 0.2300000 -0.0000000 0.0000000), wk = 0.0027933 k( 25) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0027933 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0027933 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0027933 k( 28) = ( 0.2700000 0.0000000 0.0000000), wk = 0.0027933 k( 29) = ( 0.2800000 0.0000000 0.0000000), wk = 0.0027933 k( 30) = ( 0.2900000 0.0000000 0.0000000), wk = 0.0027933 k( 31) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0027933 k( 32) = ( 0.3100000 -0.0000000 0.0000000), wk = 0.0027933 k( 33) = ( 0.3200000 0.0000000 0.0000000), wk = 0.0027933 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0027933 k( 35) = ( 0.3400000 0.0000000 0.0000000), wk = 0.0027933 k( 36) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0027933 k( 37) = ( 0.3600000 -0.0000000 0.0000000), wk = 0.0027933 k( 38) = ( 0.3700000 0.0000000 -0.0000000), wk = 0.0027933 k( 39) = ( 0.3800000 -0.0000000 0.0000000), wk = 0.0027933 k( 40) = ( 0.3900000 0.0000000 -0.0000000), wk = 0.0027933 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0027933 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0027933 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0027933 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0027933 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0027933 k( 46) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0027933 k( 47) = ( 0.4600000 -0.0000000 0.0000000), wk = 0.0027933 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0027933 k( 49) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0027933 k( 50) = ( 0.4900000 -0.0000000 0.0000000), wk = 0.0027933 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027933 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027933 k( 53) = ( 0.4942529 0.0114943 -0.0000000), wk = 0.0027933 k( 54) = ( 0.4885058 0.0229885 0.0000000), wk = 0.0027933 k( 55) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0027933 k( 56) = ( 0.4770115 0.0459770 0.0000000), wk = 0.0027933 k( 57) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0027933 k( 58) = ( 0.4655172 0.0689655 0.0000000), wk = 0.0027933 k( 59) = ( 0.4597701 0.0804598 -0.0000000), wk = 0.0027933 k( 60) = ( 0.4540230 0.0919540 0.0000000), wk = 0.0027933 k( 61) = ( 0.4482759 0.1034483 -0.0000000), wk = 0.0027933 k( 62) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0027933 k( 63) = ( 0.4367816 0.1264368 0.0000000), wk = 0.0027933 k( 64) = ( 0.4310345 0.1379310 -0.0000000), wk = 0.0027933 k( 65) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0027933 k( 66) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0027933 k( 67) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0027933 k( 68) = ( 0.4080460 0.1839080 -0.0000000), wk = 0.0027933 k( 69) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0027933 k( 70) = ( 0.3965517 0.2068965 -0.0000000), wk = 0.0027933 k( 71) = ( 0.3908046 0.2183908 -0.0000000), wk = 0.0027933 k( 72) = ( 0.3850575 0.2298851 -0.0000000), wk = 0.0027933 k( 73) = ( 0.3793103 0.2413793 0.0000000), wk = 0.0027933 k( 74) = ( 0.3735632 0.2528736 0.0000000), wk = 0.0027933 k( 75) = ( 0.3678161 0.2643678 -0.0000000), wk = 0.0027933 k( 76) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0027933 k( 77) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0027933 k( 78) = ( 0.3505747 0.2988506 0.0000000), wk = 0.0027933 k( 79) = ( 0.3448276 0.3103448 -0.0000000), wk = 0.0027933 k( 80) = ( 0.3390805 0.3218391 0.0000000), wk = 0.0027933 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027933 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027933 k( 83) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0027933 k( 84) = ( 0.3218391 0.3218391 -0.0000000), wk = 0.0027933 k( 85) = ( 0.3160920 0.3160920 0.0000000), wk = 0.0027933 k( 86) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0027933 k( 87) = ( 0.3045977 0.3045977 -0.0000000), wk = 0.0027933 k( 88) = ( 0.2988506 0.2988506 -0.0000000), wk = 0.0027933 k( 89) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0027933 k( 90) = ( 0.2873563 0.2873563 0.0000000), wk = 0.0027933 k( 91) = ( 0.2816092 0.2816092 -0.0000000), wk = 0.0027933 k( 92) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0027933 k( 93) = ( 0.2701149 0.2701149 0.0000000), wk = 0.0027933 k( 94) = ( 0.2643678 0.2643678 0.0000000), wk = 0.0027933 k( 95) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0027933 k( 96) = ( 0.2528736 0.2528736 0.0000000), wk = 0.0027933 k( 97) = ( 0.2471264 0.2471264 0.0000000), wk = 0.0027933 k( 98) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0027933 k( 99) = ( 0.2356322 0.2356322 0.0000000), wk = 0.0027933 k( 100) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0027933 k( 101) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0027933 k( 102) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0027933 k( 103) = ( 0.2126437 0.2126437 0.0000000), wk = 0.0027933 k( 104) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0027933 k( 105) = ( 0.2011494 0.2011494 0.0000000), wk = 0.0027933 k( 106) = ( 0.1954023 0.1954023 0.0000000), wk = 0.0027933 k( 107) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0027933 k( 108) = ( 0.1839080 0.1839080 -0.0000000), wk = 0.0027933 k( 109) = ( 0.1781609 0.1781609 0.0000000), wk = 0.0027933 k( 110) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0027933 k( 111) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027933 k( 112) = ( 0.1609195 0.1609195 -0.0000000), wk = 0.0027933 k( 113) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0027933 k( 114) = ( 0.1494253 0.1494253 -0.0000000), wk = 0.0027933 k( 115) = ( 0.1436782 0.1436782 0.0000000), wk = 0.0027933 k( 116) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0027933 k( 117) = ( 0.1321839 0.1321839 0.0000000), wk = 0.0027933 k( 118) = ( 0.1264368 0.1264368 0.0000000), wk = 0.0027933 k( 119) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0027933 k( 120) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0027933 k( 121) = ( 0.1091954 0.1091954 0.0000000), wk = 0.0027933 k( 122) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0027933 k( 123) = ( 0.0977012 0.0977011 0.0000000), wk = 0.0027933 k( 124) = ( 0.0919540 0.0919540 -0.0000000), wk = 0.0027933 k( 125) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0027933 k( 126) = ( 0.0804598 0.0804598 -0.0000000), wk = 0.0027933 k( 127) = ( 0.0747126 0.0747126 -0.0000000), wk = 0.0027933 k( 128) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0027933 k( 129) = ( 0.0632184 0.0632184 0.0000000), wk = 0.0027933 k( 130) = ( 0.0574713 0.0574713 -0.0000000), wk = 0.0027933 k( 131) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0027933 k( 132) = ( 0.0459770 0.0459770 -0.0000000), wk = 0.0027933 k( 133) = ( 0.0402299 0.0402299 0.0000000), wk = 0.0027933 k( 134) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0027933 k( 135) = ( 0.0287356 0.0287356 -0.0000000), wk = 0.0027933 k( 136) = ( 0.0229885 0.0229885 -0.0000000), wk = 0.0027933 k( 137) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0027933 k( 138) = ( 0.0114942 0.0114943 0.0000000), wk = 0.0027933 k( 139) = ( 0.0057471 0.0057471 0.0000000), wk = 0.0027933 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 142) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0027933 k( 143) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0027933 k( 144) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0027933 k( 145) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0027933 k( 146) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027933 k( 147) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0027933 k( 150) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0027933 k( 151) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027933 k( 152) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0027933 k( 153) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 168) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0027933 k( 169) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0027933 k( 170) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0027933 k( 171) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0027933 k( 172) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0027933 k( 173) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0027933 k( 174) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0027933 k( 175) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0027933 k( 176) = ( 0.0900000 -0.0000000 0.5000000), wk = 0.0027933 k( 177) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0027933 k( 178) = ( 0.1100000 -0.0000000 0.5000000), wk = 0.0027933 k( 179) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0027933 k( 180) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0027933 k( 181) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0027933 k( 182) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0027933 k( 183) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0027933 k( 184) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0027933 k( 185) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0027933 k( 186) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0027933 k( 187) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0027933 k( 188) = ( 0.2100000 -0.0000000 0.5000000), wk = 0.0027933 k( 189) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0027933 k( 190) = ( 0.2300000 -0.0000000 0.5000000), wk = 0.0027933 k( 191) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0027933 k( 192) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0027933 k( 193) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0027933 k( 194) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0027933 k( 195) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0027933 k( 196) = ( 0.2900000 0.0000000 0.5000000), wk = 0.0027933 k( 197) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0027933 k( 198) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0027933 k( 199) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0027933 k( 200) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0027933 k( 201) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0027933 k( 202) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0027933 k( 203) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0027933 k( 204) = ( 0.3700000 0.0000000 0.5000000), wk = 0.0027933 k( 205) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0027933 k( 206) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0027933 k( 207) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0027933 k( 208) = ( 0.4100000 -0.0000000 0.5000000), wk = 0.0027933 k( 209) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0027933 k( 210) = ( 0.4300000 -0.0000000 0.5000000), wk = 0.0027933 k( 211) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0027933 k( 212) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0027933 k( 213) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0027933 k( 214) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0027933 k( 215) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0027933 k( 216) = ( 0.4900000 -0.0000000 0.5000000), wk = 0.0027933 k( 217) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027933 k( 218) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027933 k( 219) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0027933 k( 220) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0027933 k( 221) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0027933 k( 222) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0027933 k( 223) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0027933 k( 224) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0027933 k( 225) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0027933 k( 226) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0027933 k( 227) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0027933 k( 228) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0027933 k( 229) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0027933 k( 230) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0027933 k( 231) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0027933 k( 232) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0027933 k( 233) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0027933 k( 234) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0027933 k( 235) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0027933 k( 236) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0027933 k( 237) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0027933 k( 238) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0027933 k( 239) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0027933 k( 240) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0027933 k( 241) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0027933 k( 242) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0027933 k( 243) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0027933 k( 244) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0027933 k( 245) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0027933 k( 246) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0027933 k( 247) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027933 k( 248) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027933 k( 249) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0027933 k( 250) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0027933 k( 251) = ( 0.3160920 0.3160920 0.5000000), wk = 0.0027933 k( 252) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0027933 k( 253) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0027933 k( 254) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0027933 k( 255) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0027933 k( 256) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0027933 k( 257) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0027933 k( 258) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0027933 k( 259) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0027933 k( 260) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0027933 k( 261) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0027933 k( 262) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0027933 k( 263) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0027933 k( 264) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0027933 k( 265) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0027933 k( 266) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0027933 k( 267) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0027933 k( 268) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0027933 k( 269) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0027933 k( 270) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0027933 k( 271) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0027933 k( 272) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0027933 k( 273) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0027933 k( 274) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0027933 k( 275) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0027933 k( 276) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0027933 k( 277) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027933 k( 278) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0027933 k( 279) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0027933 k( 280) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0027933 k( 281) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0027933 k( 282) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0027933 k( 283) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0027933 k( 284) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0027933 k( 285) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0027933 k( 286) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0027933 k( 287) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0027933 k( 288) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0027933 k( 289) = ( 0.0977012 0.0977011 0.5000000), wk = 0.0027933 k( 290) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0027933 k( 291) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0027933 k( 292) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0027933 k( 293) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0027933 k( 294) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0027933 k( 295) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0027933 k( 296) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0027933 k( 297) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0027933 k( 298) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0027933 k( 299) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0027933 k( 300) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0027933 k( 301) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0027933 k( 302) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0027933 k( 303) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0027933 k( 304) = ( 0.0114942 0.0114943 0.5000000), wk = 0.0027933 k( 305) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0027933 k( 306) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 307) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027933 k( 308) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0027933 k( 309) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0027933 k( 310) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0027933 k( 311) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0027933 k( 312) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0027933 k( 313) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0027933 k( 314) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0027933 k( 315) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0027933 k( 316) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0027933 k( 317) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0027933 k( 318) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0027933 k( 319) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0027933 k( 320) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0027933 k( 321) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0027933 k( 322) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0027933 k( 323) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0027933 k( 324) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0027933 k( 325) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0027933 k( 326) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0027933 k( 327) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0027933 k( 328) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0027933 k( 329) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0027933 k( 330) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0027933 k( 331) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0027933 k( 332) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027933 k( 333) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027933 k( 334) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0027933 k( 335) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0027933 k( 336) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0027933 k( 337) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0027933 k( 338) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0027933 k( 339) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0027933 k( 340) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0027933 k( 341) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0027933 k( 342) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0027933 k( 343) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0027933 k( 344) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0027933 k( 345) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0027933 k( 346) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0027933 k( 347) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0027933 k( 348) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0027933 k( 349) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0027933 k( 350) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0027933 k( 351) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0027933 k( 352) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0027933 k( 353) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0027933 k( 354) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0027933 k( 355) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0027933 k( 356) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0027933 k( 357) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0027933 k( 358) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027933 Dense grid: 48303 G-vectors FFT dimensions: ( 40, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 340, 34) NL pseudopotentials 0.16 Mb ( 170, 62) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1343) G-vector shells 0.00 Mb ( 599) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 340, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.06 Mb ( 62, 2, 34) The potential is recalculated from file : ./TiBr2.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 18 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 5.0 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.5 secs Computing kpt #: 11 total cpu time spent up to now is 5.8 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.3 secs Computing kpt #: 14 total cpu time spent up to now is 6.6 secs Computing kpt #: 15 total cpu time spent up to now is 6.9 secs Computing kpt #: 16 total cpu time spent up to now is 7.2 secs Computing kpt #: 17 total cpu time spent up to now is 7.4 secs Computing kpt #: 18 total cpu time spent up to now is 7.7 secs Computing kpt #: 19 total cpu time spent up to now is 8.0 secs Computing kpt #: 20 total cpu time spent up to now is 8.2 secs Computing kpt #: 21 total cpu time spent up to now is 8.5 secs Computing kpt #: 22 total cpu time spent up to now is 8.8 secs Computing kpt #: 23 total cpu time spent up to now is 9.1 secs Computing kpt #: 24 total cpu time spent up to now is 9.4 secs Computing kpt #: 25 total cpu time spent up to now is 9.6 secs Computing kpt #: 26 total cpu time spent up to now is 9.9 secs Computing kpt #: 27 total cpu time spent up to now is 10.2 secs Computing kpt #: 28 total cpu time spent up to now is 10.4 secs Computing kpt #: 29 total cpu time spent up to now is 10.7 secs Computing kpt #: 30 total cpu time spent up to now is 11.0 secs Computing kpt #: 31 total cpu time spent up to now is 11.2 secs Computing kpt #: 32 total cpu time spent up to now is 11.5 secs Computing kpt #: 33 total cpu time spent up to now is 11.8 secs Computing kpt #: 34 total cpu time spent up to now is 12.0 secs Computing kpt #: 35 total cpu time spent up to now is 12.3 secs Computing kpt #: 36 total cpu time spent up to now is 12.6 secs Computing kpt #: 37 total cpu time spent up to now is 12.9 secs Computing kpt #: 38 total cpu time spent up to now is 13.1 secs Computing kpt #: 39 total cpu time spent up to now is 13.4 secs Computing kpt #: 40 total cpu time spent up to now is 13.7 secs Computing kpt #: 41 total cpu time spent up to now is 14.0 secs Computing kpt #: 42 total cpu time spent up to now is 14.3 secs Computing kpt #: 43 total cpu time spent up to now is 14.6 secs Computing kpt #: 44 total cpu time spent up to now is 14.9 secs Computing kpt #: 45 total cpu time spent up to now is 15.2 secs Computing kpt #: 46 total cpu time spent up to now is 15.5 secs Computing kpt #: 47 total cpu time spent up to now is 15.8 secs Computing kpt #: 48 total cpu time spent up to now is 16.1 secs Computing kpt #: 49 total cpu time spent up to now is 16.4 secs Computing kpt #: 50 total cpu time spent up to now is 16.7 secs Computing kpt #: 51 total cpu time spent up to now is 17.0 secs Computing kpt #: 52 total cpu time spent up to now is 17.3 secs Computing kpt #: 53 total cpu time spent up to now is 17.7 secs Computing kpt #: 54 total cpu time spent up to now is 18.0 secs Computing kpt #: 55 total cpu time spent up to now is 18.3 secs Computing kpt #: 56 total cpu time spent up to now is 18.6 secs Computing kpt #: 57 total cpu time spent up to now is 18.8 secs Computing kpt #: 58 total cpu time spent up to now is 19.1 secs Computing kpt #: 59 total cpu time spent up to now is 19.4 secs Computing kpt #: 60 total cpu time spent up to now is 19.7 secs Computing kpt #: 61 total cpu time spent up to now is 20.0 secs Computing kpt #: 62 total cpu time spent up to now is 20.2 secs Computing kpt #: 63 total cpu time spent up to now is 20.5 secs Computing kpt #: 64 total cpu time spent up to now is 20.8 secs Computing kpt #: 65 total cpu time spent up to now is 21.1 secs Computing kpt #: 66 total cpu time spent up to now is 21.4 secs Computing kpt #: 67 total cpu time spent up to now is 21.7 secs Computing kpt #: 68 total cpu time spent up to now is 22.0 secs Computing kpt #: 69 total cpu time spent up to now is 22.3 secs Computing kpt #: 70 total cpu time spent up to now is 22.6 secs Computing kpt #: 71 total cpu time spent up to now is 22.9 secs Computing kpt #: 72 total cpu time spent up to now is 23.2 secs Computing kpt #: 73 total cpu time spent up to now is 23.5 secs Computing kpt #: 74 total cpu time spent up to now is 23.8 secs Computing kpt #: 75 total cpu time spent up to now is 24.1 secs Computing kpt #: 76 total cpu time spent up to now is 24.3 secs Computing kpt #: 77 total cpu time spent up to now is 24.6 secs Computing kpt #: 78 total cpu time spent up to now is 24.9 secs Computing kpt #: 79 total cpu time spent up to now is 25.2 secs Computing kpt #: 80 total cpu time spent up to now is 25.5 secs Computing kpt #: 81 total cpu time spent up to now is 25.8 secs Computing kpt #: 82 total cpu time spent up to now is 26.1 secs Computing kpt #: 83 total cpu time spent up to now is 26.3 secs Computing kpt #: 84 total cpu time spent up to now is 26.6 secs Computing kpt #: 85 total cpu time spent up to now is 26.9 secs Computing kpt #: 86 total cpu time spent up to now is 27.2 secs Computing kpt #: 87 total cpu time spent up to now is 27.5 secs Computing kpt #: 88 total cpu time spent up to now is 27.8 secs Computing kpt #: 89 total cpu time spent up to now is 28.1 secs Computing kpt #: 90 total cpu time spent up to now is 28.4 secs Computing kpt #: 91 total cpu time spent up to now is 28.7 secs Computing kpt #: 92 total cpu time spent up to now is 29.0 secs Computing kpt #: 93 total cpu time spent up to now is 29.2 secs Computing kpt #: 94 total cpu time spent up to now is 29.5 secs Computing kpt #: 95 total cpu time spent up to now is 29.8 secs Computing kpt #: 96 total cpu time spent up to now is 30.1 secs Computing kpt #: 97 total cpu time spent up to now is 30.3 secs Computing kpt #: 98 total cpu time spent up to now is 30.6 secs Computing kpt #: 99 total cpu time spent up to now is 30.9 secs Computing kpt #: 100 total cpu time spent up to now is 31.2 secs Computing kpt #: 101 total cpu time spent up to now is 31.4 secs Computing kpt #: 102 total cpu time spent up to now is 31.7 secs Computing kpt #: 103 total cpu time spent up to now is 32.0 secs Computing kpt #: 104 total cpu time spent up to now is 32.2 secs Computing kpt #: 105 total cpu time spent up to now is 32.5 secs Computing kpt #: 106 total cpu time spent up to now is 32.8 secs Computing kpt #: 107 total cpu time spent up to now is 33.0 secs Computing kpt #: 108 total cpu time spent up to now is 33.3 secs Computing kpt #: 109 total cpu time spent up to now is 33.6 secs Computing kpt #: 110 total cpu time spent up to now is 33.8 secs Computing kpt #: 111 total cpu time spent up to now is 34.1 secs Computing kpt #: 112 total cpu time spent up to now is 34.4 secs Computing kpt #: 113 total cpu time spent up to now is 34.7 secs Computing kpt #: 114 total cpu time spent up to now is 34.9 secs Computing kpt #: 115 total cpu time spent up to now is 35.2 secs Computing kpt #: 116 total cpu time spent up to now is 35.5 secs Computing kpt #: 117 total cpu time spent up to now is 35.8 secs Computing kpt #: 118 total cpu time spent up to now is 36.0 secs Computing kpt #: 119 total cpu time spent up to now is 36.3 secs Computing kpt #: 120 total cpu time spent up to now is 36.6 secs Computing kpt #: 121 total cpu time spent up to now is 36.9 secs Computing kpt #: 122 total cpu time spent up to now is 37.1 secs Computing kpt #: 123 total cpu time spent up to now is 37.4 secs Computing kpt #: 124 total cpu time spent up to now is 37.7 secs Computing kpt #: 125 total cpu time spent up to now is 37.9 secs Computing kpt #: 126 total cpu time spent up to now is 38.2 secs Computing kpt #: 127 total cpu time spent up to now is 38.5 secs Computing kpt #: 128 total cpu time spent up to now is 38.8 secs Computing kpt #: 129 total cpu time spent up to now is 39.0 secs Computing kpt #: 130 total cpu time spent up to now is 39.3 secs Computing kpt #: 131 total cpu time spent up to now is 39.6 secs Computing kpt #: 132 total cpu time spent up to now is 39.9 secs Computing kpt #: 133 total cpu time spent up to now is 40.1 secs Computing kpt #: 134 total cpu time spent up to now is 40.4 secs Computing kpt #: 135 total cpu time spent up to now is 40.7 secs Computing kpt #: 136 total cpu time spent up to now is 41.0 secs Computing kpt #: 137 total cpu time spent up to now is 41.3 secs Computing kpt #: 138 total cpu time spent up to now is 41.6 secs Computing kpt #: 139 total cpu time spent up to now is 42.0 secs Computing kpt #: 140 total cpu time spent up to now is 42.3 secs Computing kpt #: 141 total cpu time spent up to now is 42.6 secs Computing kpt #: 142 total cpu time spent up to now is 42.9 secs Computing kpt #: 143 total cpu time spent up to now is 43.2 secs Computing kpt #: 144 total cpu time spent up to now is 43.5 secs Computing kpt #: 145 total cpu time spent up to now is 43.9 secs Computing kpt #: 146 total cpu time spent up to now is 44.2 secs Computing kpt #: 147 total cpu time spent up to now is 44.5 secs Computing kpt #: 148 total cpu time spent up to now is 44.8 secs Computing kpt #: 149 total cpu time spent up to now is 45.1 secs Computing kpt #: 150 total cpu time spent up to now is 45.5 secs Computing kpt #: 151 total cpu time spent up to now is 45.8 secs Computing kpt #: 152 total cpu time spent up to now is 46.1 secs Computing kpt #: 153 total cpu time spent up to now is 46.4 secs Computing kpt #: 154 total cpu time spent up to now is 46.7 secs Computing kpt #: 155 total cpu time spent up to now is 47.1 secs Computing kpt #: 156 total cpu time spent up to now is 47.4 secs Computing kpt #: 157 total cpu time spent up to now is 47.7 secs Computing kpt #: 158 total cpu time spent up to now is 48.0 secs Computing kpt #: 159 total cpu time spent up to now is 48.3 secs Computing kpt #: 160 total cpu time spent up to now is 48.6 secs Computing kpt #: 161 total cpu time spent up to now is 48.9 secs Computing kpt #: 162 total cpu time spent up to now is 49.2 secs Computing kpt #: 163 total cpu time spent up to now is 49.5 secs Computing kpt #: 164 total cpu time spent up to now is 49.8 secs Computing kpt #: 165 total cpu time spent up to now is 50.1 secs Computing kpt #: 166 total cpu time spent up to now is 50.4 secs Computing kpt #: 167 total cpu time spent up to now is 50.7 secs Computing kpt #: 168 total cpu time spent up to now is 51.0 secs Computing kpt #: 169 total cpu time spent up to now is 51.2 secs Computing kpt #: 170 total cpu time spent up to now is 51.5 secs Computing kpt #: 171 total cpu time spent up to now is 51.8 secs Computing kpt #: 172 total cpu time spent up to now is 52.1 secs Computing kpt #: 173 total cpu time spent up to now is 52.3 secs Computing kpt #: 174 total cpu time spent up to now is 52.6 secs Computing kpt #: 175 total cpu time spent up to now is 52.9 secs Computing kpt #: 176 total cpu time spent up to now is 53.1 secs Computing kpt #: 177 total cpu time spent up to now is 53.4 secs Computing kpt #: 178 total cpu time spent up to now is 53.7 secs Computing kpt #: 179 total cpu time spent up to now is 54.0 secs Computing kpt #: 180 total cpu time spent up to now is 54.2 secs Computing kpt #: 181 total cpu time spent up to now is 54.5 secs Computing kpt #: 182 total cpu time spent up to now is 54.8 secs Computing kpt #: 183 total cpu time spent up to now is 55.0 secs Computing kpt #: 184 total cpu time spent up to now is 55.3 secs Computing kpt #: 185 total cpu time spent up to now is 55.6 secs Computing kpt #: 186 total cpu time spent up to now is 55.9 secs Computing kpt #: 187 total cpu time spent up to now is 56.1 secs Computing kpt #: 188 total cpu time spent up to now is 56.4 secs Computing kpt #: 189 total cpu time spent up to now is 56.7 secs Computing kpt #: 190 total cpu time spent up to now is 56.9 secs Computing kpt #: 191 total cpu time spent up to now is 57.2 secs Computing kpt #: 192 total cpu time spent up to now is 57.5 secs Computing kpt #: 193 total cpu time spent up to now is 57.8 secs Computing kpt #: 194 total cpu time spent up to now is 58.0 secs Computing kpt #: 195 total cpu time spent up to now is 58.3 secs Computing kpt #: 196 total cpu time spent up to now is 58.6 secs Computing kpt #: 197 total cpu time spent up to now is 58.9 secs Computing kpt #: 198 total cpu time spent up to now is 59.2 secs Computing kpt #: 199 total cpu time spent up to now is 59.5 secs Computing kpt #: 200 total cpu time spent up to now is 59.8 secs Computing kpt #: 201 total cpu time spent up to now is 60.1 secs Computing kpt #: 202 total cpu time spent up to now is 60.4 secs Computing kpt #: 203 total cpu time spent up to now is 60.7 secs Computing kpt #: 204 total cpu time spent up to now is 61.0 secs Computing kpt #: 205 total cpu time spent up to now is 61.3 secs Computing kpt #: 206 total cpu time spent up to now is 61.6 secs Computing kpt #: 207 total cpu time spent up to now is 61.9 secs Computing kpt #: 208 total cpu time spent up to now is 62.2 secs Computing kpt #: 209 total cpu time spent up to now is 62.5 secs Computing kpt #: 210 total cpu time spent up to now is 62.8 secs Computing kpt #: 211 total cpu time spent up to now is 63.1 secs Computing kpt #: 212 total cpu time spent up to now is 63.4 secs Computing kpt #: 213 total cpu time spent up to now is 63.7 secs Computing kpt #: 214 total cpu time spent up to now is 64.0 secs Computing kpt #: 215 total cpu time spent up to now is 64.3 secs Computing kpt #: 216 total cpu time spent up to now is 64.6 secs Computing kpt #: 217 total cpu time spent up to now is 65.0 secs Computing kpt #: 218 total cpu time spent up to now is 65.3 secs Computing kpt #: 219 total cpu time spent up to now is 65.6 secs Computing kpt #: 220 total cpu time spent up to now is 65.9 secs Computing kpt #: 221 total cpu time spent up to now is 66.2 secs Computing kpt #: 222 total cpu time spent up to now is 66.5 secs Computing kpt #: 223 total cpu time spent up to now is 66.8 secs Computing kpt #: 224 total cpu time spent up to now is 67.0 secs Computing kpt #: 225 total cpu time spent up to now is 67.3 secs Computing kpt #: 226 total cpu time spent up to now is 67.6 secs Computing kpt #: 227 total cpu time spent up to now is 67.8 secs Computing kpt #: 228 total cpu time spent up to now is 68.1 secs Computing kpt #: 229 total cpu time spent up to now is 68.4 secs Computing kpt #: 230 total cpu time spent up to now is 68.7 secs Computing kpt #: 231 total cpu time spent up to now is 68.9 secs Computing kpt #: 232 total cpu time spent up to now is 69.2 secs Computing kpt #: 233 total cpu time spent up to now is 69.5 secs Computing kpt #: 234 total cpu time spent up to now is 69.8 secs Computing kpt #: 235 total cpu time spent up to now is 70.1 secs Computing kpt #: 236 total cpu time spent up to now is 70.3 secs Computing kpt #: 237 total cpu time spent up to now is 70.6 secs Computing kpt #: 238 total cpu time spent up to now is 70.9 secs Computing kpt #: 239 total cpu time spent up to now is 71.2 secs Computing kpt #: 240 total cpu time spent up to now is 71.5 secs Computing kpt #: 241 total cpu time spent up to now is 71.8 secs Computing kpt #: 242 total cpu time spent up to now is 72.1 secs Computing kpt #: 243 total cpu time spent up to now is 72.3 secs Computing kpt #: 244 total cpu time spent up to now is 72.6 secs Computing kpt #: 245 total cpu time spent up to now is 72.9 secs Computing kpt #: 246 total cpu time spent up to now is 73.2 secs Computing kpt #: 247 total cpu time spent up to now is 73.5 secs Computing kpt #: 248 total cpu time spent up to now is 73.8 secs Computing kpt #: 249 total cpu time spent up to now is 74.1 secs Computing kpt #: 250 total cpu time spent up to now is 74.4 secs Computing kpt #: 251 total cpu time spent up to now is 74.6 secs Computing kpt #: 252 total cpu time spent up to now is 74.9 secs Computing kpt #: 253 total cpu time spent up to now is 75.2 secs Computing kpt #: 254 total cpu time spent up to now is 75.5 secs Computing kpt #: 255 total cpu time spent up to now is 75.8 secs Computing kpt #: 256 total cpu time spent up to now is 76.0 secs Computing kpt #: 257 total cpu time spent up to now is 76.3 secs Computing kpt #: 258 total cpu time spent up to now is 76.6 secs Computing kpt #: 259 total cpu time spent up to now is 76.9 secs Computing kpt #: 260 total cpu time spent up to now is 77.2 secs Computing kpt #: 261 total cpu time spent up to now is 77.4 secs Computing kpt #: 262 total cpu time spent up to now is 77.7 secs Computing kpt #: 263 total cpu time spent up to now is 78.0 secs Computing kpt #: 264 total cpu time spent up to now is 78.3 secs Computing kpt #: 265 total cpu time spent up to now is 78.6 secs Computing kpt #: 266 total cpu time spent up to now is 78.8 secs Computing kpt #: 267 total cpu time spent up to now is 79.1 secs Computing kpt #: 268 total cpu time spent up to now is 79.4 secs Computing kpt #: 269 total cpu time spent up to now is 79.7 secs Computing kpt #: 270 total cpu time spent up to now is 79.9 secs Computing kpt #: 271 total cpu time spent up to now is 80.2 secs Computing kpt #: 272 total cpu time spent up to now is 80.5 secs Computing kpt #: 273 total cpu time spent up to now is 80.8 secs Computing kpt #: 274 total cpu time spent up to now is 81.0 secs Computing kpt #: 275 total cpu time spent up to now is 81.3 secs Computing kpt #: 276 total cpu time spent up to now is 81.6 secs Computing kpt #: 277 total cpu time spent up to now is 81.9 secs Computing kpt #: 278 total cpu time spent up to now is 82.1 secs Computing kpt #: 279 total cpu time spent up to now is 82.4 secs Computing kpt #: 280 total cpu time spent up to now is 82.7 secs Computing kpt #: 281 total cpu time spent up to now is 82.9 secs Computing kpt #: 282 total cpu time spent up to now is 83.2 secs Computing kpt #: 283 total cpu time spent up to now is 83.5 secs Computing kpt #: 284 total cpu time spent up to now is 83.8 secs Computing kpt #: 285 total cpu time spent up to now is 84.0 secs Computing kpt #: 286 total cpu time spent up to now is 84.3 secs Computing kpt #: 287 total cpu time spent up to now is 84.6 secs Computing kpt #: 288 total cpu time spent up to now is 84.8 secs Computing kpt #: 289 total cpu time spent up to now is 85.1 secs Computing kpt #: 290 total cpu time spent up to now is 85.4 secs Computing kpt #: 291 total cpu time spent up to now is 85.7 secs Computing kpt #: 292 total cpu time spent up to now is 85.9 secs Computing kpt #: 293 total cpu time spent up to now is 86.2 secs Computing kpt #: 294 total cpu time spent up to now is 86.5 secs Computing kpt #: 295 total cpu time spent up to now is 86.8 secs Computing kpt #: 296 total cpu time spent up to now is 87.0 secs Computing kpt #: 297 total cpu time spent up to now is 87.3 secs Computing kpt #: 298 total cpu time spent up to now is 87.6 secs Computing kpt #: 299 total cpu time spent up to now is 87.8 secs Computing kpt #: 300 total cpu time spent up to now is 88.1 secs Computing kpt #: 301 total cpu time spent up to now is 88.4 secs Computing kpt #: 302 total cpu time spent up to now is 88.7 secs Computing kpt #: 303 total cpu time spent up to now is 88.9 secs Computing kpt #: 304 total cpu time spent up to now is 89.2 secs Computing kpt #: 305 total cpu time spent up to now is 89.5 secs Computing kpt #: 306 total cpu time spent up to now is 89.8 secs Computing kpt #: 307 total cpu time spent up to now is 90.1 secs Computing kpt #: 308 total cpu time spent up to now is 90.4 secs Computing kpt #: 309 total cpu time spent up to now is 90.7 secs Computing kpt #: 310 total cpu time spent up to now is 91.0 secs Computing kpt #: 311 total cpu time spent up to now is 91.4 secs Computing kpt #: 312 total cpu time spent up to now is 91.7 secs Computing kpt #: 313 total cpu time spent up to now is 92.0 secs Computing kpt #: 314 total cpu time spent up to now is 92.3 secs Computing kpt #: 315 total cpu time spent up to now is 92.6 secs Computing kpt #: 316 total cpu time spent up to now is 92.9 secs Computing kpt #: 317 total cpu time spent up to now is 93.3 secs Computing kpt #: 318 total cpu time spent up to now is 93.6 secs Computing kpt #: 319 total cpu time spent up to now is 93.9 secs Computing kpt #: 320 total cpu time spent up to now is 94.2 secs Computing kpt #: 321 total cpu time spent up to now is 94.5 secs Computing kpt #: 322 total cpu time spent up to now is 94.9 secs Computing kpt #: 323 total cpu time spent up to now is 95.2 secs Computing kpt #: 324 total cpu time spent up to now is 95.5 secs Computing kpt #: 325 total cpu time spent up to now is 95.8 secs Computing kpt #: 326 total cpu time spent up to now is 96.1 secs Computing kpt #: 327 total cpu time spent up to now is 96.4 secs Computing kpt #: 328 total cpu time spent up to now is 96.7 secs Computing kpt #: 329 total cpu time spent up to now is 97.0 secs Computing kpt #: 330 total cpu time spent up to now is 97.4 secs Computing kpt #: 331 total cpu time spent up to now is 97.7 secs Computing kpt #: 332 total cpu time spent up to now is 98.0 secs Computing kpt #: 333 total cpu time spent up to now is 98.3 secs Computing kpt #: 334 total cpu time spent up to now is 98.6 secs Computing kpt #: 335 total cpu time spent up to now is 98.9 secs Computing kpt #: 336 total cpu time spent up to now is 99.2 secs Computing kpt #: 337 total cpu time spent up to now is 99.5 secs Computing kpt #: 338 total cpu time spent up to now is 99.8 secs Computing kpt #: 339 total cpu time spent up to now is 100.1 secs Computing kpt #: 340 total cpu time spent up to now is 100.4 secs Computing kpt #: 341 total cpu time spent up to now is 100.7 secs Computing kpt #: 342 total cpu time spent up to now is 100.9 secs Computing kpt #: 343 total cpu time spent up to now is 101.2 secs Computing kpt #: 344 total cpu time spent up to now is 101.5 secs Computing kpt #: 345 total cpu time spent up to now is 101.8 secs Computing kpt #: 346 total cpu time spent up to now is 102.1 secs Computing kpt #: 347 total cpu time spent up to now is 102.4 secs Computing kpt #: 348 total cpu time spent up to now is 102.7 secs Computing kpt #: 349 total cpu time spent up to now is 103.0 secs Computing kpt #: 350 total cpu time spent up to now is 103.3 secs Computing kpt #: 351 total cpu time spent up to now is 103.5 secs Computing kpt #: 352 total cpu time spent up to now is 103.8 secs Computing kpt #: 353 total cpu time spent up to now is 104.1 secs Computing kpt #: 354 total cpu time spent up to now is 104.4 secs Computing kpt #: 355 total cpu time spent up to now is 104.7 secs Computing kpt #: 356 total cpu time spent up to now is 105.0 secs Computing kpt #: 357 total cpu time spent up to now is 105.3 secs Computing kpt #: 358 total cpu time spent up to now is 105.6 secs ethr = 3.85E-08, avg # of iterations = 16.2 total cpu time spent up to now is 105.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6035 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3804 -9.3804 -8.7627 -8.7627 0.9575 0.9575 3.5977 3.5977 3.8750 3.8750 4.1832 4.1832 4.8356 4.8356 5.0866 5.0866 7.8810 7.8810 8.0209 8.0209 8.0255 8.0255 9.3523 9.3523 9.4523 9.4523 k = 0.0100 0.0058-0.0000 ( 6019 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3797 -9.3797 -8.7624 -8.7624 0.9586 0.9586 3.5960 3.5960 3.8725 3.8725 4.1837 4.1837 4.8327 4.8327 5.0825 5.0825 7.8817 7.8817 8.0214 8.0214 8.0263 8.0263 9.3520 9.3520 9.4516 9.4516 k = 0.0200 0.0115-0.0000 ( 6011 PWs) bands (ev): -49.7578 -49.7578 -26.4529 -26.4529 -25.8065 -25.8065 -25.7912 -25.7912 -9.3778 -9.3778 -8.7616 -8.7616 0.9619 0.9619 3.5906 3.5906 3.8656 3.8656 4.1848 4.1848 4.8237 4.8237 5.0706 5.0706 7.8835 7.8835 8.0223 8.0223 8.0297 8.0297 9.3510 9.3510 9.4495 9.4495 k = 0.0300 0.0173-0.0000 ( 6007 PWs) bands (ev): -49.7577 -49.7577 -26.4530 -26.4530 -25.8067 -25.8067 -25.7912 -25.7912 -9.3745 -9.3745 -8.7603 -8.7603 0.9675 0.9675 3.5814 3.5814 3.8550 3.8550 4.1860 4.1860 4.8083 4.8083 5.0516 5.0516 7.8862 7.8862 8.0231 8.0231 8.0361 8.0361 9.3494 9.3494 9.4464 9.4464 k = 0.0400 0.0231-0.0000 ( 6015 PWs) bands (ev): -49.7577 -49.7577 -26.4531 -26.4531 -25.8070 -25.8070 -25.7912 -25.7912 -9.3700 -9.3700 -8.7584 -8.7584 0.9752 0.9752 3.5680 3.5680 3.8418 3.8418 4.1861 4.1861 4.7860 4.7860 5.0270 5.0270 7.8893 7.8893 8.0242 8.0242 8.0453 8.0453 9.3469 9.3469 9.4425 9.4425 k = 0.0500 0.0289-0.0000 ( 6007 PWs) bands (ev): -49.7577 -49.7577 -26.4533 -26.4533 -25.8074 -25.8074 -25.7912 -25.7912 -9.3641 -9.3641 -8.7561 -8.7561 0.9852 0.9852 3.5500 3.5500 3.8275 3.8275 4.1840 4.1840 4.7563 4.7563 4.9986 4.9986 7.8921 7.8921 8.0263 8.0263 8.0571 8.0571 9.3437 9.3437 9.4384 9.4384 k = 0.0600 0.0346-0.0000 ( 6009 PWs) bands (ev): -49.7576 -49.7576 -26.4536 -26.4536 -25.8078 -25.8078 -25.7913 -25.7913 -9.3570 -9.3570 -8.7532 -8.7532 0.9973 0.9973 3.5272 3.5272 3.8129 3.8129 4.1784 4.1784 4.7190 4.7190 4.9680 4.9680 7.8939 7.8939 8.0300 8.0300 8.0712 8.0712 9.3397 9.3397 9.4346 9.4346 k = 0.0700 0.0404-0.0000 ( 6007 PWs) bands (ev): -49.7575 -49.7575 -26.4539 -26.4539 -25.8084 -25.8084 -25.7913 -25.7913 -9.3487 -9.3487 -8.7498 -8.7498 1.0115 1.0115 3.4994 3.4994 3.7989 3.7989 4.1680 4.1680 4.6747 4.6747 4.9367 4.9367 7.8939 7.8939 8.0358 8.0358 8.0875 8.0875 9.3352 9.3352 9.4315 9.4315 k = 0.0800 0.0462-0.0000 ( 6011 PWs) bands (ev): -49.7575 -49.7575 -26.4542 -26.4542 -25.8090 -25.8090 -25.7913 -25.7913 -9.3391 -9.3391 -8.7459 -8.7459 1.0279 1.0279 3.4668 3.4668 3.7861 3.7861 4.1512 4.1512 4.6247 4.6247 4.9053 4.9053 7.8915 7.8915 8.0443 8.0443 8.1058 8.1058 9.3306 9.3306 9.4294 9.4294 k = 0.0900 0.0520-0.0000 ( 6027 PWs) bands (ev): -49.7574 -49.7574 -26.4546 -26.4546 -25.8097 -25.8097 -25.7913 -25.7913 -9.3284 -9.3284 -8.7416 -8.7416 1.0464 1.0464 3.4297 3.4297 3.7744 3.7744 4.1261 4.1261 4.5715 4.5715 4.8742 4.8742 7.8865 7.8865 8.0554 8.0554 8.1259 8.1259 9.3261 9.3261 9.4285 9.4285 k = 0.1000 0.0577-0.0000 ( 6029 PWs) bands (ev): -49.7573 -49.7573 -26.4550 -26.4550 -25.8105 -25.8105 -25.7913 -25.7913 -9.3165 -9.3165 -8.7368 -8.7368 1.0669 1.0669 3.3887 3.3887 3.7638 3.7638 4.0910 4.0910 4.5181 4.5181 4.8432 4.8432 7.8787 7.8787 8.0692 8.0692 8.1475 8.1475 9.3225 9.3225 9.4288 9.4288 k = 0.1100 0.0635-0.0000 ( 6031 PWs) bands (ev): -49.7572 -49.7572 -26.4554 -26.4554 -25.8114 -25.8114 -25.7913 -25.7913 -9.3034 -9.3034 -8.7316 -8.7316 1.0894 1.0894 3.3443 3.3443 3.7540 3.7540 4.0443 4.0443 4.4671 4.4671 4.8121 4.8121 7.8685 7.8685 8.0855 8.0855 8.1705 8.1705 9.3202 9.3202 9.4303 9.4303 k = 0.1200 0.0693-0.0000 ( 6027 PWs) bands (ev): -49.7571 -49.7571 -26.4559 -26.4559 -25.8124 -25.8124 -25.7913 -25.7913 -9.2892 -9.2892 -8.7259 -8.7259 1.1139 1.1139 3.2970 3.2970 3.7448 3.7448 3.9855 3.9855 4.4203 4.4203 4.7807 4.7807 7.8560 7.8560 8.1040 8.1040 8.1946 8.1946 9.3196 9.3196 9.4330 9.4330 k = 0.1300 0.0751-0.0000 ( 6031 PWs) bands (ev): -49.7570 -49.7570 -26.4564 -26.4564 -25.8134 -25.8134 -25.7913 -25.7913 -9.2740 -9.2740 -8.7199 -8.7199 1.1403 1.1403 3.2472 3.2472 3.7353 3.7353 3.9159 3.9159 4.3781 4.3781 4.7489 4.7489 7.8415 7.8415 8.1244 8.1244 8.2197 8.2197 9.3211 9.3211 9.4368 9.4368 k = 0.1400 0.0808-0.0000 ( 6039 PWs) bands (ev): -49.7569 -49.7569 -26.4569 -26.4569 -25.8145 -25.8145 -25.7913 -25.7913 -9.2577 -9.2577 -8.7134 -8.7134 1.1685 1.1685 3.1953 3.1953 3.7237 3.7237 3.8390 3.8390 4.3398 4.3398 4.7165 4.7165 7.8251 7.8251 8.1465 8.1465 8.2456 8.2456 9.3250 9.3250 9.4418 9.4418 k = 0.1500 0.0866-0.0000 ( 6033 PWs) bands (ev): -49.7567 -49.7567 -26.4575 -26.4575 -25.8156 -25.8156 -25.7913 -25.7913 -9.2405 -9.2405 -8.7067 -8.7067 1.1985 1.1985 3.1417 3.1417 3.6995 3.6995 3.7674 3.7674 4.3042 4.3042 4.6837 4.6837 7.8073 7.8073 8.1703 8.1703 8.2720 8.2720 9.3314 9.3314 9.4478 9.4478 k = 0.1600 0.0924-0.0000 ( 6031 PWs) bands (ev): -49.7566 -49.7566 -26.4581 -26.4581 -25.8169 -25.8169 -25.7913 -25.7913 -9.2223 -9.2223 -8.6996 -8.6996 1.2302 1.2302 3.0867 3.0867 3.6322 3.6322 3.7334 3.7334 4.2702 4.2702 4.6502 4.6502 7.7880 7.7880 8.1955 8.1955 8.2989 8.2989 9.3405 9.3405 9.4550 9.4550 k = 0.1700 0.0981-0.0000 ( 6035 PWs) bands (ev): -49.7565 -49.7565 -26.4588 -26.4588 -25.8181 -25.8181 -25.7912 -25.7912 -9.2033 -9.2033 -8.6922 -8.6922 1.2636 1.2636 3.0304 3.0304 3.5401 3.5401 3.7206 3.7206 4.2369 4.2369 4.6163 4.6163 7.7675 7.7675 8.2221 8.2221 8.3260 8.3260 9.3522 9.3522 9.4632 9.4632 k = 0.1800 0.1039-0.0000 ( 6035 PWs) bands (ev): -49.7563 -49.7563 -26.4594 -26.4594 -25.8194 -25.8194 -25.7912 -25.7912 -9.1835 -9.1835 -8.6845 -8.6845 1.2985 1.2985 2.9729 2.9729 3.4417 3.4417 3.7119 3.7119 4.2037 4.2037 4.5819 4.5819 7.7460 7.7460 8.2499 8.2499 8.3533 8.3533 9.3665 9.3665 9.4725 9.4725 k = 0.1900 0.1097-0.0000 ( 6035 PWs) bands (ev): -49.7562 -49.7562 -26.4601 -26.4601 -25.8208 -25.8208 -25.7912 -25.7912 -9.1628 -9.1628 -8.6767 -8.6767 1.3347 1.3347 2.9143 2.9143 3.3413 3.3413 3.7043 3.7043 4.1701 4.1701 4.5471 4.5471 7.7236 7.7236 8.2789 8.2789 8.3807 8.3807 9.3832 9.3832 9.4828 9.4828 k = 0.2000 0.1155-0.0000 ( 6027 PWs) bands (ev): -49.7560 -49.7560 -26.4608 -26.4608 -25.8221 -25.8221 -25.7911 -25.7911 -9.1415 -9.1415 -8.6686 -8.6686 1.3723 1.3723 2.8545 2.8545 3.2407 3.2407 3.6971 3.6971 4.1361 4.1361 4.5119 4.5119 7.7005 7.7005 8.3090 8.3090 8.4080 8.4080 9.4023 9.4023 9.4941 9.4941 k = 0.2100 0.1212-0.0000 ( 6023 PWs) bands (ev): -49.7559 -49.7559 -26.4615 -26.4615 -25.8235 -25.8235 -25.7911 -25.7911 -9.1196 -9.1196 -8.6604 -8.6604 1.4110 1.4110 2.7932 2.7932 3.1413 3.1413 3.6901 3.6901 4.1015 4.1015 4.4766 4.4766 7.6768 7.6768 8.3402 8.3402 8.4352 8.4352 9.4233 9.4233 9.5066 9.5066 k = 0.2200 0.1270-0.0000 ( 6015 PWs) bands (ev): -49.7557 -49.7557 -26.4623 -26.4623 -25.8250 -25.8250 -25.7910 -25.7910 -9.0971 -9.0971 -8.6520 -8.6520 1.4506 1.4506 2.7302 2.7302 3.0446 3.0446 3.6831 3.6831 4.0663 4.0663 4.4411 4.4411 7.6527 7.6527 8.3723 8.3723 8.4621 8.4621 9.4461 9.4461 9.5201 9.5201 k = 0.2300 0.1328-0.0000 ( 6019 PWs) bands (ev): -49.7555 -49.7555 -26.4630 -26.4630 -25.8264 -25.8264 -25.7909 -25.7909 -9.0741 -9.0741 -8.6436 -8.6436 1.4910 1.4910 2.6650 2.6650 2.9518 2.9518 3.6761 3.6761 4.0306 4.0306 4.4056 4.4056 7.6283 7.6283 8.4053 8.4053 8.4889 8.4889 9.4701 9.4701 9.5348 9.5348 k = 0.2400 0.1386-0.0000 ( 6017 PWs) bands (ev): -49.7554 -49.7554 -26.4637 -26.4637 -25.8279 -25.8279 -25.7909 -25.7909 -9.0507 -9.0507 -8.6351 -8.6351 1.5319 1.5319 2.5969 2.5969 2.8643 2.8643 3.6690 3.6690 3.9943 3.9943 4.3702 4.3702 7.6037 7.6037 8.4390 8.4390 8.5153 8.5153 9.4946 9.4946 9.5511 9.5511 k = 0.2500 0.1443-0.0000 ( 6015 PWs) bands (ev): -49.7552 -49.7552 -26.4645 -26.4645 -25.8294 -25.8294 -25.7908 -25.7908 -9.0269 -9.0269 -8.6266 -8.6266 1.5727 1.5727 2.5259 2.5259 2.7832 2.7832 3.6617 3.6617 3.9577 3.9577 4.3351 4.3351 7.5791 7.5791 8.4733 8.4733 8.5415 8.5415 9.5190 9.5190 9.5693 9.5693 k = 0.2600 0.1501-0.0000 ( 6041 PWs) bands (ev): -49.7550 -49.7550 -26.4653 -26.4653 -25.8308 -25.8308 -25.7907 -25.7907 -9.0029 -9.0029 -8.6182 -8.6182 1.6131 1.6131 2.4521 2.4521 2.7090 2.7090 3.6542 3.6542 3.9208 3.9208 4.3003 4.3003 7.5546 7.5546 8.5082 8.5082 8.5675 8.5675 9.5421 9.5421 9.5900 9.5900 k = 0.2700 0.1559-0.0000 ( 6037 PWs) bands (ev): -49.7549 -49.7549 -26.4660 -26.4660 -25.8323 -25.8323 -25.7906 -25.7906 -8.9787 -8.9787 -8.6098 -8.6098 1.6523 1.6523 2.3767 2.3767 2.6419 2.6419 3.6464 3.6464 3.8838 3.8838 4.2660 4.2660 7.5303 7.5303 8.5433 8.5433 8.5932 8.5932 9.5633 9.5633 9.6136 9.6136 k = 0.2800 0.1617-0.0000 ( 6031 PWs) bands (ev): -49.7547 -49.7547 -26.4668 -26.4668 -25.8337 -25.8337 -25.7906 -25.7906 -8.9544 -8.9544 -8.6016 -8.6016 1.6888 1.6888 2.3019 2.3019 2.5813 2.5813 3.6382 3.6382 3.8469 3.8469 4.2323 4.2323 7.5064 7.5064 8.5784 8.5784 8.6190 8.6190 9.5826 9.5826 9.6396 9.6396 k = 0.2900 0.1674-0.0000 ( 6037 PWs) bands (ev): -49.7546 -49.7546 -26.4676 -26.4676 -25.8351 -25.8351 -25.7905 -25.7905 -8.9301 -8.9301 -8.5935 -8.5935 1.7208 1.7208 2.2305 2.2305 2.5265 2.5265 3.6293 3.6293 3.8105 3.8105 4.1994 4.1994 7.4828 7.4828 8.6127 8.6127 8.6453 8.6453 9.6004 9.6004 9.6672 9.6672 k = 0.3000 0.1732-0.0000 ( 6041 PWs) bands (ev): -49.7544 -49.7544 -26.4683 -26.4683 -25.8365 -25.8365 -25.7904 -25.7904 -8.9059 -8.9059 -8.5857 -8.5857 1.7445 1.7445 2.1668 2.1668 2.4773 2.4773 3.6193 3.6193 3.7750 3.7750 4.1672 4.1672 7.4598 7.4598 8.6452 8.6452 8.6730 8.6730 9.6171 9.6171 9.6955 9.6955 k = 0.3100 0.1790-0.0000 ( 6045 PWs) bands (ev): -49.7543 -49.7543 -26.4690 -26.4690 -25.8379 -25.8379 -25.7903 -25.7903 -8.8818 -8.8818 -8.5782 -8.5782 1.7546 1.7546 2.1164 2.1164 2.4337 2.4337 3.6075 3.6075 3.7411 3.7411 4.1361 4.1361 7.4373 7.4373 8.6745 8.6745 8.7035 8.7035 9.6332 9.6332 9.7239 9.7239 k = 0.3200 0.1848-0.0000 ( 6045 PWs) bands (ev): -49.7541 -49.7541 -26.4697 -26.4697 -25.8392 -25.8392 -25.7902 -25.7902 -8.8579 -8.8579 -8.5709 -8.5709 1.7450 1.7450 2.0848 2.0848 2.3964 2.3964 3.5929 3.5929 3.7101 3.7101 4.1060 4.1060 7.4156 7.4156 8.7003 8.7003 8.7367 8.7367 9.6486 9.6486 9.7518 9.7518 k = 0.3300 0.1905-0.0000 ( 6037 PWs) bands (ev): -49.7540 -49.7540 -26.4704 -26.4704 -25.8405 -25.8405 -25.7901 -25.7901 -8.8344 -8.8344 -8.5641 -8.5641 1.7145 1.7145 2.0721 2.0721 2.3667 2.3667 3.5740 3.5740 3.6833 3.6833 4.0771 4.0771 7.3946 7.3946 8.7239 8.7239 8.7711 8.7711 9.6634 9.6634 9.7788 9.7788 k = 0.3400 0.1963-0.0000 ( 6039 PWs) bands (ev): -49.7538 -49.7538 -26.4711 -26.4711 -25.8418 -25.8418 -25.7901 -25.7901 -8.8113 -8.8113 -8.5576 -8.5576 1.6684 1.6684 2.0708 2.0708 2.3469 2.3469 3.5499 3.5499 3.6619 3.6619 4.0494 4.0494 7.3744 7.3744 8.7459 8.7459 8.8059 8.8059 9.6776 9.6776 9.8046 9.8046 k = 0.3500 0.2021-0.0000 ( 6043 PWs) bands (ev): -49.7537 -49.7537 -26.4718 -26.4718 -25.8430 -25.8430 -25.7900 -25.7900 -8.7887 -8.7887 -8.5517 -8.5517 1.6141 1.6141 2.0709 2.0709 2.3398 2.3398 3.5208 3.5208 3.6455 3.6455 4.0231 4.0231 7.3552 7.3552 8.7668 8.7668 8.8404 8.8404 9.6913 9.6913 9.8290 9.8290 k = 0.3600 0.2078-0.0000 ( 6049 PWs) bands (ev): -49.7536 -49.7536 -26.4724 -26.4724 -25.8441 -25.8441 -25.7899 -25.7899 -8.7666 -8.7666 -8.5463 -8.5463 1.5567 1.5567 2.0663 2.0663 2.3467 2.3467 3.4880 3.4880 3.6331 3.6331 3.9982 3.9982 7.3369 7.3369 8.7867 8.7867 8.8742 8.8742 9.7043 9.7043 9.8518 9.8518 k = 0.3700 0.2136-0.0000 ( 6045 PWs) bands (ev): -49.7534 -49.7534 -26.4730 -26.4730 -25.8452 -25.8452 -25.7898 -25.7898 -8.7453 -8.7453 -8.5414 -8.5414 1.4991 1.4991 2.0552 2.0552 2.3664 2.3664 3.4527 3.4527 3.6234 3.6234 3.9747 3.9747 7.3196 7.3196 8.8056 8.8056 8.9070 8.9070 9.7166 9.7166 9.8727 9.8727 k = 0.3800 0.2194-0.0000 ( 6045 PWs) bands (ev): -49.7533 -49.7533 -26.4736 -26.4736 -25.8462 -25.8462 -25.7898 -25.7898 -8.7246 -8.7246 -8.5372 -8.5372 1.4432 1.4432 2.0392 2.0392 2.3955 2.3955 3.4159 3.4159 3.6154 3.6154 3.9528 3.9528 7.3034 7.3034 8.8233 8.8233 8.9386 8.9386 9.7281 9.7281 9.8918 9.8918 k = 0.3900 0.2252-0.0000 ( 6043 PWs) bands (ev): -49.7532 -49.7532 -26.4741 -26.4741 -25.8471 -25.8471 -25.7897 -25.7897 -8.7048 -8.7048 -8.5337 -8.5337 1.3899 1.3899 2.0207 2.0207 2.4311 2.4311 3.3781 3.3781 3.6087 3.6087 3.9325 3.9325 7.2883 7.2883 8.8400 8.8400 8.9688 8.9688 9.7390 9.7390 9.9090 9.9090 k = 0.4000 0.2309-0.0000 ( 6035 PWs) bands (ev): -49.7531 -49.7531 -26.4746 -26.4746 -25.8480 -25.8480 -25.7896 -25.7896 -8.6858 -8.6858 -8.5309 -8.5309 1.3401 1.3401 2.0012 2.0012 2.4705 2.4705 3.3397 3.3397 3.6029 3.6029 3.9138 3.9138 7.2744 7.2744 8.8556 8.8556 8.9972 8.9972 9.7490 9.7490 9.9242 9.9242 k = 0.4100 0.2367-0.0000 ( 6043 PWs) bands (ev): -49.7530 -49.7530 -26.4750 -26.4750 -25.8488 -25.8488 -25.7896 -25.7896 -8.6677 -8.6677 -8.5289 -8.5289 1.2940 1.2940 1.9820 1.9820 2.5124 2.5124 3.3008 3.3008 3.5979 3.5979 3.8968 3.8968 7.2617 7.2617 8.8699 8.8699 9.0236 9.0236 9.7581 9.7581 9.9376 9.9376 k = 0.4200 0.2425-0.0000 ( 6047 PWs) bands (ev): -49.7529 -49.7529 -26.4754 -26.4754 -25.8495 -25.8495 -25.7895 -25.7895 -8.6506 -8.6506 -8.5277 -8.5277 1.2521 1.2521 1.9639 1.9639 2.5557 2.5557 3.2616 3.2616 3.5935 3.5935 3.8815 3.8815 7.2502 7.2502 8.8830 8.8830 9.0479 9.0479 9.7664 9.7664 9.9492 9.9492 k = 0.4300 0.2483-0.0000 ( 6051 PWs) bands (ev): -49.7529 -49.7529 -26.4758 -26.4758 -25.8502 -25.8502 -25.7895 -25.7895 -8.6346 -8.6346 -8.5274 -8.5274 1.2147 1.2147 1.9472 1.9472 2.5996 2.5996 3.2222 3.2222 3.5897 3.5897 3.8679 3.8679 7.2400 7.2400 8.8947 8.8947 9.0698 9.0698 9.7738 9.7738 9.9591 9.9591 k = 0.4400 0.2540-0.0000 ( 6045 PWs) bands (ev): -49.7528 -49.7528 -26.4761 -26.4761 -25.8508 -25.8508 -25.7895 -25.7895 -8.6196 -8.6196 -8.5280 -8.5280 1.1819 1.1819 1.9324 1.9324 2.6436 2.6436 3.1828 3.1828 3.5864 3.5864 3.8561 3.8561 7.2311 7.2311 8.9050 8.9050 9.0891 9.0891 9.7802 9.7802 9.9674 9.9674 k = 0.4500 0.2598-0.0000 ( 6047 PWs) bands (ev): -49.7528 -49.7528 -26.4764 -26.4764 -25.8512 -25.8512 -25.7894 -25.7894 -8.6057 -8.6057 -8.5296 -8.5296 1.1540 1.1540 1.9196 1.9196 2.6873 2.6873 3.1433 3.1433 3.5837 3.5837 3.8461 3.8461 7.2235 7.2235 8.9138 8.9138 9.1057 9.1057 9.7857 9.7857 9.9743 9.9743 k = 0.4600 0.2656-0.0000 ( 6048 PWs) bands (ev): -49.7527 -49.7527 -26.4766 -26.4766 -25.8516 -25.8516 -25.7894 -25.7894 -8.5930 -8.5930 -8.5322 -8.5322 1.1309 1.1309 1.9089 1.9089 2.7301 2.7301 3.1043 3.1043 3.5814 3.5814 3.8379 3.8379 7.2173 7.2173 8.9211 8.9211 9.1195 9.1195 9.7902 9.7902 9.9797 9.9797 k = 0.4700 0.2714-0.0000 ( 6044 PWs) bands (ev): -49.7527 -49.7527 -26.4768 -26.4768 -25.8520 -25.8520 -25.7894 -25.7894 -8.5814 -8.5814 -8.5358 -8.5358 1.1129 1.1129 1.9006 1.9006 2.7713 2.7713 3.0662 3.0662 3.5797 3.5797 3.8314 3.8314 7.2124 7.2124 8.9268 8.9268 9.1303 9.1303 9.7938 9.7938 9.9839 9.9839 k = 0.4800 0.2771-0.0000 ( 6040 PWs) bands (ev): -49.7526 -49.7526 -26.4769 -26.4769 -25.8522 -25.8522 -25.7893 -25.7893 -8.5709 -8.5709 -8.5406 -8.5406 1.1000 1.1000 1.8945 1.8945 2.8091 2.8091 3.0307 3.0307 3.5785 3.5785 3.8269 3.8269 7.2090 7.2090 8.9309 8.9309 9.1380 9.1380 9.7963 9.7963 9.9868 9.9868 k = 0.4900 0.2829-0.0000 ( 6038 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8523 -25.8523 -25.7893 -25.7893 -8.5617 -8.5617 -8.5463 -8.5463 1.0922 1.0922 1.8909 1.8909 2.8395 2.8395 3.0017 3.0017 3.5777 3.5777 3.8241 3.8241 7.2069 7.2069 8.9334 8.9334 9.1427 9.1427 9.7978 9.7978 9.9886 9.9886 k = 0.5000 0.2887-0.0000 ( 6038 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5550 -8.5550 -8.5519 -8.5519 1.0896 1.0896 1.8897 1.8897 2.8524 2.8524 2.9893 2.9893 3.5775 3.5775 3.8232 3.8232 7.2062 7.2062 8.9342 8.9342 9.1443 9.1443 9.7983 9.7983 9.9892 9.9892 k = 0.5000 0.2887-0.0000 ( 6038 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5550 -8.5550 -8.5519 -8.5519 1.0896 1.0896 1.8897 1.8897 2.8524 2.8524 2.9893 2.9893 3.5775 3.5775 3.8232 3.8232 7.2062 7.2062 8.9342 8.9342 9.1443 9.1443 9.7983 9.7983 9.9892 9.9892 k = 0.4943 0.2986-0.0000 ( 6048 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5548 -8.5548 -8.5517 -8.5517 1.0907 1.0907 1.8902 1.8902 2.8522 2.8522 2.9895 2.9895 3.5760 3.5760 3.8184 3.8184 7.2100 7.2100 8.9335 8.9335 9.1436 9.1436 9.7957 9.7957 9.9886 9.9886 k = 0.4885 0.3086-0.0000 ( 6052 PWs) bands (ev): -49.7526 -49.7526 -26.4771 -26.4771 -25.8524 -25.8524 -25.7894 -25.7894 -8.5544 -8.5544 -8.5511 -8.5511 1.0939 1.0939 1.8916 1.8916 2.8517 2.8517 2.9902 2.9902 3.5717 3.5717 3.8041 3.8041 7.2213 7.2213 8.9314 8.9314 9.1414 9.1414 9.7878 9.7878 9.9870 9.9870 k = 0.4828 0.3185-0.0000 ( 6056 PWs) bands (ev): -49.7526 -49.7526 -26.4771 -26.4771 -25.8524 -25.8524 -25.7894 -25.7894 -8.5537 -8.5537 -8.5500 -8.5500 1.0993 1.0993 1.8940 1.8940 2.8508 2.8508 2.9914 2.9914 3.5644 3.5644 3.7807 3.7807 7.2399 7.2399 8.9279 8.9279 9.1377 9.1377 9.7751 9.7751 9.9843 9.9843 k = 0.4770 0.3285-0.0000 ( 6060 PWs) bands (ev): -49.7526 -49.7526 -26.4771 -26.4771 -25.8524 -25.8524 -25.7895 -25.7895 -8.5527 -8.5527 -8.5485 -8.5485 1.1069 1.1069 1.8973 1.8973 2.8495 2.8495 2.9929 2.9929 3.5543 3.5543 3.7488 3.7488 7.2653 7.2653 8.9232 8.9232 9.1326 9.1326 9.7583 9.7583 9.9807 9.9807 k = 0.4713 0.3384-0.0000 ( 6066 PWs) bands (ev): -49.7526 -49.7526 -26.4772 -26.4772 -25.8525 -25.8525 -25.7896 -25.7896 -8.5514 -8.5514 -8.5467 -8.5467 1.1165 1.1165 1.9016 1.9016 2.8479 2.8479 2.9949 2.9949 3.5413 3.5413 3.7091 3.7091 7.2969 7.2969 8.9173 8.9173 9.1260 9.1260 9.7379 9.7379 9.9760 9.9760 k = 0.4655 0.3484-0.0000 ( 6062 PWs) bands (ev): -49.7526 -49.7526 -26.4772 -26.4772 -25.8525 -25.8525 -25.7898 -25.7898 -8.5499 -8.5499 -8.5444 -8.5444 1.1283 1.1283 1.9067 1.9067 2.8460 2.8460 2.9971 2.9971 3.5253 3.5253 3.6626 3.6626 7.3342 7.3342 8.9104 8.9104 9.1180 9.1180 9.7148 9.7148 9.9704 9.9704 k = 0.4598 0.3584-0.0000 ( 6062 PWs) bands (ev): -49.7525 -49.7525 -26.4773 -26.4773 -25.8526 -25.8526 -25.7899 -25.7899 -8.5480 -8.5480 -8.5418 -8.5418 1.1422 1.1422 1.9126 1.9126 2.8437 2.8437 2.9996 2.9996 3.5058 3.5058 3.6109 3.6109 7.3765 7.3765 8.9026 8.9026 9.1085 9.1085 9.6898 9.6898 9.9638 9.9638 k = 0.4540 0.3683-0.0000 ( 6062 PWs) bands (ev): -49.7525 -49.7525 -26.4774 -26.4774 -25.8527 -25.8527 -25.7901 -25.7901 -8.5460 -8.5460 -8.5389 -8.5389 1.1581 1.1581 1.9193 1.9193 2.8410 2.8410 3.0022 3.0022 3.4811 3.4811 3.5568 3.5568 7.4230 7.4230 8.8941 8.8941 9.0976 9.0976 9.6637 9.6637 9.9562 9.9562 k = 0.4483 0.3783-0.0000 ( 6052 PWs) bands (ev): -49.7525 -49.7525 -26.4775 -26.4775 -25.8527 -25.8527 -25.7902 -25.7902 -8.5437 -8.5437 -8.5357 -8.5357 1.1761 1.1761 1.9268 1.9268 2.8378 2.8378 3.0048 3.0048 3.4457 3.4457 3.5069 3.5069 7.4732 7.4732 8.8849 8.8849 9.0854 9.0854 9.6371 9.6371 9.9475 9.9475 k = 0.4425 0.3882-0.0000 ( 6044 PWs) bands (ev): -49.7525 -49.7525 -26.4776 -26.4776 -25.8528 -25.8528 -25.7904 -25.7904 -8.5412 -8.5412 -8.5322 -8.5322 1.1960 1.1960 1.9349 1.9349 2.8341 2.8341 3.0074 3.0074 3.3933 3.3933 3.4690 3.4690 7.5263 7.5263 8.8754 8.8754 9.0717 9.0717 9.6107 9.6107 9.9378 9.9378 k = 0.4368 0.3982-0.0000 ( 6042 PWs) bands (ev): -49.7524 -49.7524 -26.4777 -26.4777 -25.8529 -25.8529 -25.7906 -25.7906 -8.5385 -8.5385 -8.5285 -8.5285 1.2180 1.2180 1.9436 1.9436 2.8296 2.8296 3.0097 3.0097 3.3292 3.3292 3.4389 3.4389 7.5818 7.5818 8.8655 8.8655 9.0568 9.0568 9.5850 9.5850 9.9270 9.9270 k = 0.4310 0.4081-0.0000 ( 6056 PWs) bands (ev): -49.7524 -49.7524 -26.4778 -26.4778 -25.8530 -25.8530 -25.7908 -25.7908 -8.5356 -8.5356 -8.5246 -8.5246 1.2418 1.2418 1.9528 1.9528 2.8240 2.8240 3.0116 3.0116 3.2605 3.2605 3.4113 3.4113 7.6391 7.6391 8.8553 8.8553 9.0405 9.0405 9.5604 9.5604 9.9150 9.9150 k = 0.4253 0.4181-0.0000 ( 6056 PWs) bands (ev): -49.7524 -49.7524 -26.4779 -26.4779 -25.8531 -25.8531 -25.7910 -25.7910 -8.5326 -8.5326 -8.5205 -8.5205 1.2675 1.2675 1.9623 1.9623 2.8167 2.8167 3.0126 3.0126 3.1910 3.1910 3.3842 3.3842 7.6979 7.6979 8.8450 8.8450 9.0229 9.0229 9.5374 9.5374 9.9019 9.9019 k = 0.4195 0.4280-0.0000 ( 6054 PWs) bands (ev): -49.7523 -49.7523 -26.4780 -26.4780 -25.8533 -25.8533 -25.7912 -25.7912 -8.5294 -8.5294 -8.5164 -8.5164 1.2949 1.2949 1.9721 1.9721 2.8064 2.8064 3.0118 3.0118 3.1240 3.1240 3.3575 3.3575 7.7577 7.7577 8.8345 8.8345 9.0041 9.0041 9.5163 9.5163 9.8875 9.8875 k = 0.4138 0.4380-0.0000 ( 6064 PWs) bands (ev): -49.7523 -49.7523 -26.4781 -26.4781 -25.8534 -25.8534 -25.7914 -25.7914 -8.5261 -8.5261 -8.5123 -8.5123 1.3241 1.3241 1.9819 1.9819 2.7912 2.7912 3.0057 3.0057 3.0661 3.0661 3.3311 3.3311 7.8181 7.8181 8.8239 8.8239 8.9842 8.9842 9.4973 9.4973 9.8720 9.8720 k = 0.4080 0.4479-0.0000 ( 6056 PWs) bands (ev): -49.7523 -49.7523 -26.4782 -26.4782 -25.8535 -25.8535 -25.7916 -25.7916 -8.5227 -8.5227 -8.5081 -8.5081 1.3550 1.3550 1.9917 1.9917 2.7677 2.7677 2.9811 2.9811 3.0344 3.0344 3.3054 3.3054 7.8789 7.8789 8.8130 8.8130 8.9631 8.9631 9.4809 9.4809 9.8552 9.8552 k = 0.4023 0.4579-0.0000 ( 6056 PWs) bands (ev): -49.7522 -49.7522 -26.4784 -26.4784 -25.8537 -25.8537 -25.7918 -25.7918 -8.5193 -8.5193 -8.5040 -8.5040 1.3873 1.3873 2.0011 2.0011 2.7324 2.7324 2.9453 2.9453 3.0256 3.0256 3.2806 3.2806 7.9398 7.9398 8.8017 8.8017 8.9410 8.9410 9.4673 9.4673 9.8373 9.8373 k = 0.3966 0.4679-0.0000 ( 6056 PWs) bands (ev): -49.7522 -49.7522 -26.4785 -26.4785 -25.8538 -25.8538 -25.7920 -25.7920 -8.5158 -8.5158 -8.5001 -8.5001 1.4212 1.4212 2.0099 2.0099 2.6847 2.6847 2.9176 2.9176 3.0218 3.0218 3.2572 3.2572 8.0005 8.0005 8.7900 8.7900 8.9179 8.9179 9.4566 9.4566 9.8181 9.8181 k = 0.3908 0.4778-0.0000 ( 6040 PWs) bands (ev): -49.7522 -49.7522 -26.4786 -26.4786 -25.8540 -25.8540 -25.7922 -25.7922 -8.5123 -8.5123 -8.4963 -8.4963 1.4563 1.4563 2.0178 2.0178 2.6282 2.6282 2.8993 2.8993 3.0186 3.0186 3.2354 3.2354 8.0610 8.0610 8.7778 8.7778 8.8940 8.8940 9.4491 9.4491 9.7978 9.7978 k = 0.3851 0.4878-0.0000 ( 6032 PWs) bands (ev): -49.7521 -49.7521 -26.4787 -26.4787 -25.8541 -25.8541 -25.7923 -25.7923 -8.5088 -8.5088 -8.4928 -8.4928 1.4925 1.4925 2.0244 2.0244 2.5676 2.5676 2.8872 2.8872 3.0156 3.0156 3.2153 3.2153 8.1209 8.1209 8.7649 8.7649 8.8693 8.8693 9.4449 9.4449 9.7765 9.7765 k = 0.3793 0.4977-0.0000 ( 6028 PWs) bands (ev): -49.7521 -49.7521 -26.4788 -26.4788 -25.8543 -25.8543 -25.7925 -25.7925 -8.5053 -8.5053 -8.4896 -8.4896 1.5296 1.5296 2.0291 2.0291 2.5066 2.5066 2.8786 2.8786 3.0128 3.0128 3.1970 3.1970 8.1802 8.1802 8.7511 8.7511 8.8440 8.8440 9.4442 9.4442 9.7541 9.7541 k = 0.3736 0.5077-0.0000 ( 6022 PWs) bands (ev): -49.7521 -49.7521 -26.4789 -26.4789 -25.8544 -25.8544 -25.7926 -25.7926 -8.5020 -8.5020 -8.4867 -8.4867 1.5673 1.5673 2.0315 2.0315 2.4477 2.4477 2.8719 2.8719 3.0107 3.0107 3.1804 3.1804 8.2386 8.2386 8.7365 8.7365 8.8181 8.8181 9.4469 9.4469 9.7309 9.7309 k = 0.3678 0.5176-0.0000 ( 6028 PWs) bands (ev): -49.7521 -49.7521 -26.4790 -26.4790 -25.8545 -25.8545 -25.7927 -25.7927 -8.4987 -8.4987 -8.4843 -8.4843 1.6052 1.6052 2.0306 2.0306 2.3932 2.3932 2.8661 2.8661 3.0099 3.0099 3.1651 3.1651 8.2961 8.2961 8.7208 8.7208 8.7919 8.7919 9.4531 9.4531 9.7069 9.7069 k = 0.3621 0.5276-0.0000 ( 6030 PWs) bands (ev): -49.7520 -49.7520 -26.4791 -26.4791 -25.8547 -25.8547 -25.7928 -25.7928 -8.4956 -8.4956 -8.4824 -8.4824 1.6427 1.6427 2.0257 2.0257 2.3450 2.3450 2.8609 2.8609 3.0109 3.0109 3.1510 3.1510 8.3525 8.3525 8.7040 8.7040 8.7655 8.7655 9.4626 9.4626 9.6823 9.6823 k = 0.3563 0.5375-0.0000 ( 6022 PWs) bands (ev): -49.7520 -49.7520 -26.4792 -26.4792 -25.8548 -25.8548 -25.7929 -25.7929 -8.4926 -8.4926 -8.4811 -8.4811 1.6790 1.6790 2.0163 2.0163 2.3050 2.3050 2.8562 2.8562 3.0138 3.0138 3.1377 3.1377 8.4076 8.4076 8.6861 8.6861 8.7391 8.7391 9.4754 9.4754 9.6572 9.6572 k = 0.3506 0.5475-0.0000 ( 6026 PWs) bands (ev): -49.7520 -49.7520 -26.4793 -26.4793 -25.8548 -25.8548 -25.7930 -25.7930 -8.4898 -8.4898 -8.4803 -8.4803 1.7125 1.7125 2.0027 2.0027 2.2743 2.2743 2.8520 2.8520 3.0187 3.0187 3.1253 3.1253 8.4612 8.4612 8.6669 8.6669 8.7132 8.7132 9.4914 9.4914 9.6318 9.6318 k = 0.3448 0.5574-0.0000 ( 6034 PWs) bands (ev): -49.7520 -49.7520 -26.4793 -26.4793 -25.8549 -25.8549 -25.7930 -25.7930 -8.4873 -8.4873 -8.4802 -8.4802 1.7410 1.7410 1.9873 1.9873 2.2533 2.2533 2.8488 2.8488 3.0251 3.0251 3.1139 3.1139 8.5126 8.5126 8.6463 8.6463 8.6883 8.6883 9.5101 9.5101 9.6063 9.6063 k = 0.3391 0.5674-0.0000 ( 6050 PWs) bands (ev): -49.7520 -49.7520 -26.4793 -26.4793 -25.8550 -25.8550 -25.7930 -25.7930 -8.4851 -8.4851 -8.4808 -8.4808 1.7607 1.7607 1.9745 1.9745 2.2413 2.2413 2.8467 2.8467 3.0313 3.0313 3.1048 3.1048 8.5606 8.5606 8.6246 8.6246 8.6657 8.6657 9.5315 9.5315 9.5810 9.5810 k = 0.3333 0.5774-0.0000 ( 6060 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4839 -8.4839 -8.4815 -8.4815 1.7678 1.7678 1.9696 1.9696 2.2374 2.2374 2.8459 2.8459 3.0343 3.0343 3.1009 3.1009 8.5919 8.5919 8.6077 8.6077 8.6524 8.6524 9.5522 9.5522 9.5589 9.5589 k = 0.3333 0.5774-0.0000 ( 6060 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4839 -8.4839 -8.4815 -8.4815 1.7678 1.7678 1.9696 1.9696 2.2374 2.2374 2.8459 2.8459 3.0343 3.0343 3.1009 3.1009 8.5919 8.5919 8.6077 8.6077 8.6524 8.6524 9.5522 9.5522 9.5589 9.5589 k = 0.3276 0.5674-0.0000 ( 6056 PWs) bands (ev): -49.7520 -49.7520 -26.4793 -26.4793 -25.8550 -25.8550 -25.7930 -25.7930 -8.4854 -8.4854 -8.4806 -8.4806 1.7613 1.7613 1.9741 1.9741 2.2412 2.2412 2.8467 2.8467 3.0305 3.0305 3.1056 3.1056 8.5727 8.5727 8.6037 8.6037 8.6745 8.6745 9.5307 9.5307 9.5817 9.5817 k = 0.3218 0.5574-0.0000 ( 6042 PWs) bands (ev): -49.7520 -49.7520 -26.4793 -26.4793 -25.8549 -25.8549 -25.7930 -25.7930 -8.4885 -8.4885 -8.4793 -8.4793 1.7449 1.7449 1.9847 1.9847 2.2526 2.2526 2.8489 2.8489 3.0202 3.0202 3.1185 3.1185 8.5469 8.5469 8.5855 8.5855 8.7149 8.7149 9.5068 9.5068 9.6094 9.6094 k = 0.3161 0.5475-0.0000 ( 6030 PWs) bands (ev): -49.7520 -49.7520 -26.4792 -26.4792 -25.8548 -25.8548 -25.7930 -25.7930 -8.4926 -8.4926 -8.4782 -8.4782 1.7237 1.7237 1.9966 1.9966 2.2715 2.2715 2.8523 2.8523 3.0059 3.0059 3.1371 3.1371 8.5200 8.5200 8.5648 8.5648 8.7563 8.7563 9.4837 9.4837 9.6385 9.6385 k = 0.3103 0.5375-0.0000 ( 6030 PWs) bands (ev): -49.7520 -49.7520 -26.4792 -26.4792 -25.8547 -25.8547 -25.7929 -25.7929 -8.4977 -8.4977 -8.4775 -8.4775 1.7012 1.7012 2.0068 2.0068 2.2977 2.2977 2.8563 2.8563 2.9901 2.9901 3.1596 3.1596 8.4927 8.4927 8.5436 8.5436 8.7960 8.7960 9.4617 9.4617 9.6689 9.6689 k = 0.3046 0.5276-0.0000 ( 6026 PWs) bands (ev): -49.7521 -49.7521 -26.4791 -26.4791 -25.8545 -25.8545 -25.7929 -25.7929 -8.5039 -8.5039 -8.4771 -8.4771 1.6798 1.6798 2.0143 2.0143 2.3300 2.3300 2.8597 2.8597 2.9748 2.9748 3.1850 3.1850 8.4652 8.4652 8.5223 8.5223 8.8335 8.8335 9.4409 9.4409 9.7000 9.7000 k = 0.2989 0.5176-0.0000 ( 6042 PWs) bands (ev): -49.7521 -49.7521 -26.4789 -26.4789 -25.8543 -25.8543 -25.7928 -25.7928 -8.5111 -8.5111 -8.4772 -8.4772 1.6606 1.6606 2.0193 2.0193 2.3671 2.3671 2.8602 2.8602 2.9626 2.9626 3.2129 3.2129 8.4376 8.4376 8.5011 8.5011 8.8683 8.8683 9.4214 9.4214 9.7317 9.7317 k = 0.2931 0.5077-0.0000 ( 6046 PWs) bands (ev): -49.7521 -49.7521 -26.4788 -26.4788 -25.8540 -25.8540 -25.7927 -25.7927 -8.5194 -8.5194 -8.4776 -8.4776 1.6444 1.6444 2.0226 2.0226 2.4075 2.4075 2.8549 2.8549 2.9570 2.9570 3.2430 3.2430 8.4101 8.4101 8.4799 8.4799 8.9002 8.9002 9.4032 9.4032 9.7634 9.7634 k = 0.2874 0.4977-0.0000 ( 6046 PWs) bands (ev): -49.7522 -49.7522 -26.4786 -26.4786 -25.8537 -25.8537 -25.7926 -25.7926 -8.5287 -8.5287 -8.4785 -8.4785 1.6319 1.6319 2.0249 2.0249 2.4495 2.4495 2.8426 2.8426 2.9598 2.9598 3.2750 3.2750 8.3827 8.3827 8.4588 8.4588 8.9291 8.9291 9.3866 9.3866 9.7948 9.7948 k = 0.2816 0.4878-0.0000 ( 6042 PWs) bands (ev): -49.7522 -49.7522 -26.4783 -26.4783 -25.8534 -25.8534 -25.7925 -25.7925 -8.5391 -8.5391 -8.4798 -8.4798 1.6232 1.6232 2.0269 2.0269 2.4913 2.4913 2.8256 2.8256 2.9697 2.9697 3.3087 3.3087 8.3555 8.3555 8.4379 8.4379 8.9550 8.9550 9.3713 9.3713 9.8256 9.8256 k = 0.2759 0.4778-0.0000 ( 6046 PWs) bands (ev): -49.7523 -49.7523 -26.4781 -26.4781 -25.8529 -25.8529 -25.7924 -25.7924 -8.5506 -8.5506 -8.4816 -8.4816 1.6186 1.6186 2.0291 2.0291 2.5307 2.5307 2.8077 2.8077 2.9846 2.9846 3.3440 3.3440 8.3285 8.3285 8.4172 8.4172 8.9777 8.9777 9.3574 9.3574 9.8554 9.8554 k = 0.2701 0.4679-0.0000 ( 6050 PWs) bands (ev): -49.7523 -49.7523 -26.4778 -26.4778 -25.8525 -25.8525 -25.7924 -25.7924 -8.5632 -8.5632 -8.4838 -8.4838 1.6184 1.6184 2.0319 2.0319 2.5635 2.5635 2.7941 2.7941 3.0031 3.0031 3.3807 3.3807 8.3019 8.3019 8.3967 8.3967 8.9973 8.9973 9.3447 9.3447 9.8837 9.8837 k = 0.2644 0.4579-0.0000 ( 6042 PWs) bands (ev): -49.7524 -49.7524 -26.4774 -26.4774 -25.8519 -25.8519 -25.7923 -25.7923 -8.5769 -8.5769 -8.4864 -8.4864 1.6224 1.6224 2.0356 2.0356 2.5836 2.5836 2.7915 2.7915 3.0245 3.0245 3.4186 3.4186 8.2757 8.2757 8.3765 8.3765 9.0139 9.0139 9.3330 9.3330 9.9103 9.9103 k = 0.2586 0.4479-0.0000 ( 6046 PWs) bands (ev): -49.7525 -49.7525 -26.4771 -26.4771 -25.8513 -25.8513 -25.7922 -25.7922 -8.5916 -8.5916 -8.4895 -8.4895 1.6308 1.6308 2.0404 2.0404 2.5858 2.5858 2.8054 2.8054 3.0482 3.0482 3.4577 3.4577 8.2499 8.2499 8.3567 8.3567 9.0275 9.0275 9.3220 9.3220 9.9346 9.9346 k = 0.2529 0.4380-0.0000 ( 6040 PWs) bands (ev): -49.7526 -49.7526 -26.4767 -26.4767 -25.8507 -25.8507 -25.7921 -25.7921 -8.6073 -8.6073 -8.4931 -8.4931 1.6435 1.6435 2.0463 2.0463 2.5719 2.5719 2.8344 2.8344 3.0740 3.0740 3.4978 3.4978 8.2246 8.2246 8.3372 8.3372 9.0384 9.0384 9.3116 9.3116 9.9564 9.9564 k = 0.2471 0.4280-0.0000 ( 6038 PWs) bands (ev): -49.7527 -49.7527 -26.4763 -26.4763 -25.8500 -25.8500 -25.7920 -25.7920 -8.6240 -8.6240 -8.4971 -8.4971 1.6604 1.6604 2.0533 2.0533 2.5480 2.5480 2.8726 2.8726 3.1018 3.1018 3.5387 3.5387 8.1999 8.1999 8.3180 8.3180 9.0466 9.0466 9.3016 9.3016 9.9752 9.9752 k = 0.2414 0.4181-0.0000 ( 6044 PWs) bands (ev): -49.7528 -49.7528 -26.4758 -26.4758 -25.8492 -25.8492 -25.7919 -25.7919 -8.6416 -8.6416 -8.5016 -8.5016 1.6814 1.6814 2.0613 2.0613 2.5190 2.5190 2.9155 2.9155 3.1314 3.1314 3.5804 3.5804 8.1760 8.1760 8.2994 8.2994 9.0521 9.0521 9.2918 9.2918 9.9908 9.9908 k = 0.2356 0.4081-0.0000 ( 6040 PWs) bands (ev): -49.7529 -49.7529 -26.4753 -26.4753 -25.8484 -25.8484 -25.7918 -25.7918 -8.6602 -8.6602 -8.5064 -8.5064 1.7061 1.7061 2.0701 2.0701 2.4882 2.4882 2.9606 2.9606 3.1629 3.1629 3.6226 3.6226 8.1527 8.1527 8.2812 8.2812 9.0550 9.0550 9.2822 9.2822 10.0028 10.0028 k = 0.2299 0.3982-0.0000 ( 6052 PWs) bands (ev): -49.7530 -49.7530 -26.4748 -26.4748 -25.8475 -25.8475 -25.7917 -25.7917 -8.6796 -8.6796 -8.5117 -8.5117 1.7342 1.7342 2.0794 2.0794 2.4576 2.4576 3.0064 3.0064 3.1962 3.1962 3.6654 3.6654 8.1303 8.1303 8.2635 8.2635 9.0551 9.0551 9.2731 9.2731 10.0110 10.0110 k = 0.2241 0.3882-0.0000 ( 6036 PWs) bands (ev): -49.7531 -49.7531 -26.4742 -26.4742 -25.8465 -25.8465 -25.7916 -25.7916 -8.6999 -8.6999 -8.5174 -8.5174 1.7649 1.7649 2.0884 2.0884 2.4294 2.4294 3.0522 3.0522 3.2311 3.2311 3.7086 3.7086 8.1089 8.1089 8.2464 8.2464 9.0522 9.0522 9.2646 9.2646 10.0153 10.0153 k = 0.2184 0.3783-0.0000 ( 6036 PWs) bands (ev): -49.7532 -49.7532 -26.4737 -26.4737 -25.8455 -25.8455 -25.7916 -25.7916 -8.7208 -8.7208 -8.5235 -8.5235 1.7970 1.7970 2.0969 2.0969 2.4058 2.4058 3.0974 3.0974 3.2677 3.2677 3.7520 3.7520 8.0884 8.0884 8.2298 8.2298 9.0458 9.0458 9.2572 9.2572 10.0154 10.0154 k = 0.2126 0.3683-0.0000 ( 6040 PWs) bands (ev): -49.7534 -49.7534 -26.4731 -26.4731 -25.8445 -25.8445 -25.7915 -25.7915 -8.7425 -8.7425 -8.5300 -8.5300 1.8284 1.8284 2.1049 2.1049 2.3888 2.3888 3.1417 3.1417 3.3059 3.3059 3.7956 3.7956 8.0691 8.0691 8.2139 8.2139 9.0357 9.0357 9.2512 9.2512 10.0113 10.0113 k = 0.2069 0.3584-0.0000 ( 6044 PWs) bands (ev): -49.7535 -49.7535 -26.4724 -26.4724 -25.8434 -25.8434 -25.7914 -25.7914 -8.7648 -8.7648 -8.5368 -8.5368 1.8556 1.8556 2.1142 2.1142 2.3807 2.3807 3.1850 3.1850 3.3457 3.3457 3.8393 3.8393 8.0508 8.0508 8.1986 8.1986 9.0217 9.0217 9.2470 9.2470 10.0030 10.0030 k = 0.2011 0.3484-0.0000 ( 6048 PWs) bands (ev): -49.7536 -49.7536 -26.4718 -26.4718 -25.8423 -25.8423 -25.7914 -25.7914 -8.7876 -8.7876 -8.5439 -8.5439 1.8737 1.8737 2.1287 2.1287 2.3823 2.3823 3.2269 3.2269 3.3868 3.3868 3.8830 3.8830 8.0337 8.0337 8.1840 8.1840 9.0038 9.0038 9.2447 9.2447 9.9905 9.9905 k = 0.1954 0.3384-0.0000 ( 6044 PWs) bands (ev): -49.7538 -49.7538 -26.4711 -26.4711 -25.8411 -25.8411 -25.7913 -25.7913 -8.8109 -8.8109 -8.5513 -8.5513 1.8780 1.8780 2.1535 2.1535 2.3934 2.3934 3.2673 3.2673 3.4294 3.4294 3.9265 3.9265 8.0179 8.0179 8.1701 8.1701 8.9822 8.9822 9.2442 9.2442 9.9741 9.9741 k = 0.1897 0.3285-0.0000 ( 6038 PWs) bands (ev): -49.7539 -49.7539 -26.4704 -26.4704 -25.8398 -25.8398 -25.7913 -25.7913 -8.8346 -8.8346 -8.5590 -8.5590 1.8676 1.8676 2.1906 2.1906 2.4131 2.4131 3.3063 3.3063 3.4731 3.4731 3.9698 3.9698 8.0033 8.0033 8.1569 8.1569 8.9572 8.9572 9.2453 9.2453 9.9539 9.9539 k = 0.1839 0.3185-0.0000 ( 6034 PWs) bands (ev): -49.7541 -49.7541 -26.4697 -26.4697 -25.8386 -25.8386 -25.7913 -25.7913 -8.8586 -8.8586 -8.5669 -8.5669 1.8452 1.8452 2.2379 2.2379 2.4403 2.4403 3.3436 3.3436 3.5180 3.5180 4.0128 4.0128 7.9900 7.9900 8.1445 8.1445 8.9293 8.9293 9.2479 9.2479 9.9302 9.9302 k = 0.1782 0.3086-0.0000 ( 6036 PWs) bands (ev): -49.7542 -49.7542 -26.4690 -26.4690 -25.8373 -25.8373 -25.7912 -25.7912 -8.8828 -8.8828 -8.5751 -8.5751 1.8148 1.8148 2.2924 2.2924 2.4743 2.4743 3.3792 3.3792 3.5639 3.5639 4.0555 4.0555 7.9779 7.9779 8.1328 8.1328 8.8989 8.8989 9.2517 9.2517 9.9032 9.9032 k = 0.1724 0.2986-0.0000 ( 6036 PWs) bands (ev): -49.7544 -49.7544 -26.4682 -26.4682 -25.8359 -25.8359 -25.7912 -25.7912 -8.9072 -8.9072 -8.5834 -8.5834 1.7792 1.7792 2.3511 2.3511 2.5152 2.5152 3.4131 3.4131 3.6105 3.6105 4.0977 4.0977 7.9671 7.9671 8.1220 8.1220 8.8664 8.8664 9.2564 9.2564 9.8735 9.8735 k = 0.1667 0.2887-0.0000 ( 6024 PWs) bands (ev): -49.7546 -49.7546 -26.4675 -26.4675 -25.8346 -25.8346 -25.7912 -25.7912 -8.9317 -8.9317 -8.5918 -8.5918 1.7403 1.7403 2.4111 2.4111 2.5636 2.5636 3.4453 3.4453 3.6579 3.6579 4.1394 4.1394 7.9575 7.9575 8.1119 8.1119 8.8321 8.8321 9.2620 9.2620 9.8413 9.8413 k = 0.1609 0.2787-0.0000 ( 6034 PWs) bands (ev): -49.7547 -49.7547 -26.4667 -26.4667 -25.8332 -25.8332 -25.7912 -25.7912 -8.9562 -8.9562 -8.6004 -8.6004 1.6995 1.6995 2.4703 2.4703 2.6203 2.6203 3.4757 3.4757 3.7059 3.7059 4.1806 4.1806 7.9490 7.9490 8.1026 8.1026 8.7964 8.7964 9.2682 9.2682 9.8072 9.8072 k = 0.1552 0.2688-0.0000 ( 6034 PWs) bands (ev): -49.7549 -49.7549 -26.4659 -26.4659 -25.8318 -25.8318 -25.7912 -25.7912 -8.9807 -8.9807 -8.6090 -8.6090 1.6576 1.6576 2.5273 2.5273 2.6856 2.6856 3.5042 3.5042 3.7542 3.7542 4.2212 4.2212 7.9417 7.9417 8.0940 8.0940 8.7596 8.7596 9.2749 9.2749 9.7716 9.7716 k = 0.1494 0.2588-0.0000 ( 6030 PWs) bands (ev): -49.7551 -49.7551 -26.4652 -26.4652 -25.8304 -25.8304 -25.7912 -25.7912 -9.0049 -9.0049 -8.6177 -8.6177 1.6153 1.6153 2.5819 2.5819 2.7589 2.7589 3.5310 3.5310 3.8026 3.8026 4.2612 4.2612 7.9354 7.9354 8.0862 8.0862 8.7220 8.7220 9.2821 9.2821 9.7350 9.7350 k = 0.1437 0.2489-0.0000 ( 6026 PWs) bands (ev): -49.7552 -49.7552 -26.4644 -26.4644 -25.8289 -25.8289 -25.7912 -25.7912 -9.0290 -9.0290 -8.6265 -8.6265 1.5728 1.5728 2.6348 2.6348 2.8387 2.8387 3.5561 3.5561 3.8511 3.8511 4.3006 4.3006 7.9302 7.9302 8.0791 8.0791 8.6838 8.6838 9.2895 9.2895 9.6979 9.6979 k = 0.1379 0.2389-0.0000 ( 6034 PWs) bands (ev): -49.7554 -49.7554 -26.4637 -26.4637 -25.8275 -25.8275 -25.7912 -25.7912 -9.0527 -9.0527 -8.6352 -8.6352 1.5307 1.5307 2.6869 2.6869 2.9235 2.9235 3.5795 3.5795 3.8993 3.8993 4.3395 4.3395 7.9258 7.9258 8.0727 8.0727 8.6453 8.6453 9.2972 9.2972 9.6607 9.6607 k = 0.1322 0.2289-0.0000 ( 6034 PWs) bands (ev): -49.7555 -49.7555 -26.4629 -26.4629 -25.8261 -25.8261 -25.7912 -25.7912 -9.0761 -9.0761 -8.6438 -8.6438 1.4891 1.4891 2.7387 2.7387 3.0120 3.0120 3.6013 3.6013 3.9470 3.9470 4.3777 4.3777 7.9222 7.9222 8.0669 8.0669 8.6067 8.6067 9.3049 9.3049 9.6240 9.6240 k = 0.1264 0.2190-0.0000 ( 6032 PWs) bands (ev): -49.7557 -49.7557 -26.4622 -26.4622 -25.8247 -25.8247 -25.7912 -25.7912 -9.0991 -9.0991 -8.6523 -8.6523 1.4483 1.4483 2.7907 2.7907 3.1032 3.1032 3.6216 3.6216 3.9940 3.9940 4.4155 4.4155 7.9193 7.9193 8.0617 8.0617 8.5681 8.5681 9.3128 9.3128 9.5883 9.5883 k = 0.1207 0.2090-0.0000 ( 6036 PWs) bands (ev): -49.7559 -49.7559 -26.4614 -26.4614 -25.8233 -25.8233 -25.7913 -25.7913 -9.1215 -9.1215 -8.6608 -8.6608 1.4084 1.4084 2.8428 2.8428 3.1963 3.1963 3.6405 3.6405 4.0401 4.0401 4.4528 4.4528 7.9171 7.9171 8.0571 8.0571 8.5298 8.5298 9.3205 9.3205 9.5540 9.5540 k = 0.1149 0.1991-0.0000 ( 6037 PWs) bands (ev): -49.7560 -49.7560 -26.4607 -26.4607 -25.8219 -25.8219 -25.7913 -25.7913 -9.1433 -9.1433 -8.6691 -8.6691 1.3696 1.3696 2.8952 2.8952 3.2903 3.2903 3.6585 3.6585 4.0850 4.0850 4.4896 4.4896 7.9154 7.9154 8.0529 8.0529 8.4919 8.4919 9.3281 9.3281 9.5217 9.5217 k = 0.1092 0.1891-0.0000 ( 6037 PWs) bands (ev): -49.7562 -49.7562 -26.4600 -26.4600 -25.8206 -25.8206 -25.7913 -25.7913 -9.1645 -9.1645 -8.6771 -8.6771 1.3321 1.3321 2.9477 2.9477 3.3841 3.3841 3.6757 3.6757 4.1288 4.1288 4.5262 4.5262 7.9140 7.9140 8.0491 8.0491 8.4546 8.4546 9.3353 9.3353 9.4918 9.4918 k = 0.1034 0.1792-0.0000 ( 6033 PWs) bands (ev): -49.7563 -49.7563 -26.4594 -26.4594 -25.8192 -25.8192 -25.7913 -25.7913 -9.1850 -9.1850 -8.6850 -8.6850 1.2959 1.2959 3.0003 3.0003 3.4762 3.4762 3.6933 3.6933 4.1712 4.1712 4.5624 4.5624 7.9131 7.9131 8.0457 8.0457 8.4179 8.4179 9.3420 9.3420 9.4650 9.4650 k = 0.0977 0.1692-0.0000 ( 6033 PWs) bands (ev): -49.7565 -49.7565 -26.4587 -26.4587 -25.8180 -25.8180 -25.7913 -25.7913 -9.2047 -9.2047 -8.6927 -8.6927 1.2612 1.2612 3.0528 3.0528 3.5633 3.5633 3.7135 3.7135 4.2125 4.2125 4.5983 4.5983 7.9123 7.9123 8.0426 8.0426 8.3820 8.3820 9.3476 9.3476 9.4417 9.4417 k = 0.0920 0.1593-0.0000 ( 6037 PWs) bands (ev): -49.7566 -49.7566 -26.4581 -26.4581 -25.8167 -25.8167 -25.7913 -25.7913 -9.2236 -9.2236 -8.7000 -8.7000 1.2280 1.2280 3.1049 3.1049 3.6372 3.6372 3.7436 3.7436 4.2529 4.2529 4.6339 4.6339 7.9117 7.9117 8.0398 8.0398 8.3470 8.3470 9.3516 9.3516 9.4231 9.4231 k = 0.0862 0.1493-0.0000 ( 6033 PWs) bands (ev): -49.7567 -49.7567 -26.4575 -26.4575 -25.8155 -25.8155 -25.7913 -25.7913 -9.2417 -9.2417 -8.7071 -8.7071 1.1965 1.1965 3.1564 3.1564 3.6841 3.6841 3.7962 3.7962 4.2931 4.2931 4.6692 4.6692 7.9111 7.9111 8.0373 8.0373 8.3131 8.3131 9.3526 9.3526 9.4103 9.4103 k = 0.0805 0.1394-0.0000 ( 6027 PWs) bands (ev): -49.7569 -49.7569 -26.4569 -26.4569 -25.8144 -25.8144 -25.7914 -25.7914 -9.2588 -9.2588 -8.7138 -8.7138 1.1667 1.1667 3.2070 3.2070 3.7087 3.7087 3.8652 3.8652 4.3339 4.3339 4.7041 4.7041 7.9105 7.9105 8.0349 8.0349 8.2802 8.2802 9.3501 9.3501 9.4041 9.4041 k = 0.0747 0.1294-0.0000 ( 6039 PWs) bands (ev): -49.7570 -49.7570 -26.4564 -26.4564 -25.8133 -25.8133 -25.7914 -25.7914 -9.2749 -9.2749 -8.7202 -8.7202 1.1387 1.1387 3.2563 3.2563 3.7246 3.7246 3.9351 3.9351 4.3764 4.3764 4.7386 4.7386 7.9098 7.9098 8.0328 8.0328 8.2486 8.2486 9.3452 9.3452 9.4034 9.4034 k = 0.0690 0.1195-0.0000 ( 6035 PWs) bands (ev): -49.7571 -49.7571 -26.4559 -26.4559 -25.8123 -25.8123 -25.7914 -25.7914 -9.2900 -9.2900 -8.7262 -8.7262 1.1125 1.1125 3.3040 3.3040 3.7376 3.7376 3.9986 3.9986 4.4217 4.4217 4.7726 4.7726 7.9089 7.9089 8.0309 8.0309 8.2183 8.2183 9.3401 9.3401 9.4058 9.4058 k = 0.0632 0.1095-0.0000 ( 6021 PWs) bands (ev): -49.7572 -49.7572 -26.4554 -26.4554 -25.8114 -25.8114 -25.7913 -25.7913 -9.3041 -9.3041 -8.7318 -8.7318 1.0882 1.0882 3.3497 3.3497 3.7494 3.7494 4.0526 4.0526 4.4704 4.4704 4.8061 4.8061 7.9078 7.9078 8.0292 8.0292 8.1895 8.1895 9.3363 9.3363 9.4096 9.4096 k = 0.0575 0.0995-0.0000 ( 6021 PWs) bands (ev): -49.7573 -49.7573 -26.4549 -26.4549 -25.8105 -25.8105 -25.7913 -25.7913 -9.3170 -9.3170 -8.7370 -8.7370 1.0659 1.0659 3.3927 3.3927 3.7610 3.7610 4.0960 4.0960 4.5222 4.5222 4.8391 4.8391 7.9063 7.9063 8.0277 8.0277 8.1623 8.1623 9.3343 9.3343 9.4140 9.4140 k = 0.0517 0.0896-0.0000 ( 6023 PWs) bands (ev): -49.7574 -49.7574 -26.4545 -26.4545 -25.8097 -25.8097 -25.7913 -25.7913 -9.3288 -9.3288 -8.7418 -8.7418 1.0456 1.0456 3.4326 3.4326 3.7729 3.7729 4.1290 4.1290 4.5755 4.5755 4.8717 4.8717 7.9045 7.9045 8.0264 8.0264 8.1370 8.1370 9.3341 9.3341 9.4187 9.4187 k = 0.0460 0.0796-0.0000 ( 6019 PWs) bands (ev): -49.7575 -49.7575 -26.4542 -26.4542 -25.8090 -25.8090 -25.7913 -25.7913 -9.3395 -9.3395 -8.7461 -8.7461 1.0273 1.0273 3.4688 3.4688 3.7854 3.7854 4.1527 4.1527 4.6279 4.6279 4.9041 4.9041 7.9022 7.9022 8.0254 8.0254 8.1137 8.1137 9.3355 9.3355 9.4235 9.4235 k = 0.0402 0.0697-0.0000 ( 6009 PWs) bands (ev): -49.7575 -49.7575 -26.4539 -26.4539 -25.8084 -25.8084 -25.7913 -25.7913 -9.3490 -9.3490 -8.7499 -8.7499 1.0110 1.0110 3.5007 3.5007 3.7988 3.7988 4.1688 4.1688 4.6770 4.6770 4.9364 4.9364 7.8995 7.8995 8.0246 8.0246 8.0928 8.0928 9.3380 9.3380 9.4283 9.4283 k = 0.0345 0.0597-0.0000 ( 6009 PWs) bands (ev): -49.7576 -49.7576 -26.4536 -26.4536 -25.8078 -25.8078 -25.7913 -25.7913 -9.3573 -9.3573 -8.7533 -8.7533 0.9969 0.9969 3.5280 3.5280 3.8130 3.8130 4.1788 4.1788 4.7206 4.7206 4.9683 4.9683 7.8964 7.8964 8.0240 8.0240 8.0744 8.0744 9.3411 9.3411 9.4332 9.4332 k = 0.0287 0.0498-0.0000 ( 6013 PWs) bands (ev): -49.7577 -49.7577 -26.4533 -26.4533 -25.8073 -25.8073 -25.7912 -25.7912 -9.3643 -9.3643 -8.7561 -8.7561 0.9849 0.9849 3.5505 3.5505 3.8277 3.8277 4.1841 4.1841 4.7573 4.7573 4.9991 4.9991 7.8930 7.8930 8.0235 8.0235 8.0587 8.0587 9.3442 9.3442 9.4379 9.4379 k = 0.0230 0.0398-0.0000 ( 6013 PWs) bands (ev): -49.7577 -49.7577 -26.4531 -26.4531 -25.8070 -25.8070 -25.7912 -25.7912 -9.3701 -9.3701 -8.7585 -8.7585 0.9751 0.9751 3.5683 3.5683 3.8421 3.8421 4.1861 4.1861 4.7865 4.7865 5.0275 5.0275 7.8895 7.8895 8.0231 8.0231 8.0460 8.0460 9.3471 9.3471 9.4424 9.4424 k = 0.0172 0.0299-0.0000 ( 6013 PWs) bands (ev): -49.7577 -49.7577 -26.4530 -26.4530 -25.8067 -25.8067 -25.7912 -25.7912 -9.3746 -9.3746 -8.7603 -8.7603 0.9674 0.9674 3.5815 3.5815 3.8551 3.8551 4.1860 4.1860 4.8086 4.8086 5.0519 5.0519 7.8862 7.8862 8.0228 8.0228 8.0363 8.0363 9.3494 9.3494 9.4464 9.4464 k = 0.0115 0.0199-0.0000 ( 6009 PWs) bands (ev): -49.7578 -49.7578 -26.4529 -26.4529 -25.8064 -25.8064 -25.7912 -25.7912 -9.3778 -9.3778 -8.7616 -8.7616 0.9619 0.9619 3.5907 3.5907 3.8657 3.8657 4.1848 4.1848 4.8238 4.8238 5.0707 5.0707 7.8835 7.8835 8.0223 8.0223 8.0297 8.0297 9.3511 9.3511 9.4496 9.4496 k = 0.0057 0.0100-0.0000 ( 6013 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3797 -9.3797 -8.7624 -8.7624 0.9586 0.9586 3.5960 3.5960 3.8726 3.8726 4.1837 4.1837 4.8327 4.8327 5.0826 5.0826 7.8816 7.8816 8.0214 8.0214 8.0263 8.0263 9.3520 9.3520 9.4516 9.4516 k = 0.0000 0.0000 0.0000 ( 6035 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3804 -9.3804 -8.7627 -8.7627 0.9575 0.9575 3.5977 3.5977 3.8750 3.8750 4.1832 4.1832 4.8356 4.8356 5.0866 5.0866 7.8810 7.8810 8.0209 8.0209 8.0255 8.0255 9.3523 9.3523 9.4523 9.4523 k = 0.0000 0.0000 0.0000 ( 6035 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3804 -9.3804 -8.7627 -8.7627 0.9575 0.9575 3.5977 3.5977 3.8750 3.8750 4.1832 4.1832 4.8356 4.8356 5.0866 5.0866 7.8810 7.8810 8.0209 8.0209 8.0255 8.0255 9.3523 9.3523 9.4523 9.4523 k = 0.0000 0.0000 0.0112 ( 6017 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3799 -9.3799 -8.7632 -8.7632 0.9596 0.9596 3.5979 3.5979 3.8752 3.8752 4.1794 4.1794 4.8341 4.8341 5.0863 5.0863 7.8824 7.8824 8.0209 8.0209 8.0255 8.0255 9.3528 9.3528 9.4528 9.4528 k = 0.0000 0.0000 0.0224 ( 6023 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3786 -9.3786 -8.7649 -8.7649 0.9660 0.9660 3.5985 3.5985 3.8757 3.8757 4.1680 4.1680 4.8294 4.8294 5.0852 5.0852 7.8866 7.8866 8.0207 8.0207 8.0255 8.0255 9.3540 9.3540 9.4542 9.4542 k = 0.0000 0.0000 0.0335 ( 6023 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3764 -9.3764 -8.7677 -8.7677 0.9767 0.9767 3.5994 3.5994 3.8767 3.8767 4.1491 4.1491 4.8221 4.8221 5.0834 5.0834 7.8934 7.8934 8.0206 8.0206 8.0255 8.0255 9.3561 9.3561 9.4565 9.4565 k = 0.0000 0.0000 0.0447 ( 6029 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3733 -9.3733 -8.7717 -8.7717 0.9915 0.9915 3.6007 3.6007 3.8780 3.8780 4.1225 4.1225 4.8124 4.8124 5.0809 5.0809 7.9023 7.9023 8.0203 8.0203 8.0256 8.0256 9.3590 9.3590 9.4596 9.4596 k = 0.0000 0.0000 0.0559 ( 6017 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3694 -9.3694 -8.7766 -8.7766 1.0105 1.0105 3.6022 3.6022 3.8797 3.8797 4.0885 4.0885 4.8010 4.8010 5.0777 5.0777 7.9131 7.9131 8.0200 8.0200 8.0257 8.0257 9.3626 9.3626 9.4635 9.4635 k = 0.0000 0.0000 0.0671 ( 6005 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3646 -9.3646 -8.7826 -8.7826 1.0336 1.0336 3.6041 3.6041 3.8817 3.8817 4.0472 4.0472 4.7885 4.7885 5.0739 5.0739 7.9252 7.9252 8.0196 8.0196 8.0260 8.0260 9.3669 9.3669 9.4682 9.4682 k = 0.0000 0.0000 0.0783 ( 5993 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3590 -9.3590 -8.7896 -8.7896 1.0606 1.0606 3.6062 3.6062 3.8840 3.8840 3.9990 3.9990 4.7752 4.7752 5.0696 5.0696 7.9380 7.9380 8.0191 8.0191 8.0264 8.0264 9.3718 9.3718 9.4736 9.4736 k = 0.0000 0.0000 0.0894 ( 5993 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3527 -9.3527 -8.7975 -8.7975 1.0915 1.0915 3.6083 3.6083 3.8865 3.8865 3.9443 3.9443 4.7617 4.7617 5.0649 5.0649 7.9510 7.9510 8.0186 8.0186 8.0272 8.0272 9.3773 9.3773 9.4796 9.4796 k = 0.0000 0.0000 0.1006 ( 5993 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3456 -9.3456 -8.8063 -8.8063 1.1261 1.1261 3.6104 3.6104 3.8840 3.8840 3.8893 3.8893 4.7483 4.7483 5.0596 5.0596 7.9637 7.9637 8.0181 8.0181 8.0285 8.0285 9.3832 9.3832 9.4861 9.4861 k = 0.0000 0.0000 0.1118 ( 5993 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3379 -9.3379 -8.8158 -8.8158 1.1642 1.1642 3.6121 3.6121 3.8189 3.8189 3.8923 3.8923 4.7352 4.7352 5.0541 5.0541 7.9754 7.9754 8.0175 8.0175 8.0306 8.0306 9.3895 9.3895 9.4930 9.4930 k = 0.0000 0.0000 0.1230 ( 6023 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3295 -9.3295 -8.8261 -8.8261 1.2057 1.2057 3.6123 3.6123 3.7510 3.7510 3.8955 3.8955 4.7226 4.7226 5.0483 5.0483 7.9853 7.9853 8.0169 8.0169 8.0340 8.0340 9.3961 9.3961 9.5002 9.5002 k = 0.0000 0.0000 0.1342 ( 6041 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3205 -9.3205 -8.8369 -8.8369 1.2504 1.2504 3.6058 3.6058 3.6861 3.6861 3.8987 3.8987 4.7106 4.7106 5.0424 5.0424 7.9931 7.9931 8.0163 8.0163 8.0389 8.0389 9.4028 9.4028 9.5075 9.5075 k = 0.0000 0.0000 0.1453 ( 6041 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3111 -9.3111 -8.8483 -8.8483 1.2978 1.2978 3.5698 3.5698 3.6479 3.6479 3.9020 3.9020 4.6992 4.6992 5.0364 5.0364 7.9984 7.9984 8.0157 8.0157 8.0453 8.0453 9.4096 9.4096 9.5150 9.5150 k = 0.0000 0.0000 0.1565 ( 6041 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.3012 -9.3012 -8.8600 -8.8600 1.3478 1.3478 3.5012 3.5012 3.6404 3.6404 3.9053 3.9053 4.6886 4.6886 5.0304 5.0304 8.0018 8.0018 8.0151 8.0151 8.0528 8.0528 9.4163 9.4163 9.5223 9.5223 k = 0.0000 0.0000 0.1677 ( 6041 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2911 -9.2911 -8.8720 -8.8720 1.3999 1.3999 3.4238 3.4238 3.6404 3.6404 3.9086 3.9086 4.6787 4.6787 5.0245 5.0245 8.0039 8.0039 8.0145 8.0145 8.0606 8.0606 9.4229 9.4229 9.5296 9.5296 k = 0.0000 0.0000 0.1789 ( 6047 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2808 -9.2808 -8.8841 -8.8841 1.4535 1.4535 3.3445 3.3445 3.6422 3.6422 3.9117 3.9117 4.6696 4.6696 5.0188 5.0188 8.0052 8.0052 8.0139 8.0139 8.0682 8.0682 9.4293 9.4293 9.5365 9.5365 k = 0.0000 0.0000 0.1901 ( 6053 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2705 -9.2705 -8.8960 -8.8960 1.5081 1.5081 3.2654 3.2654 3.6445 3.6445 3.9147 3.9147 4.6613 4.6613 5.0135 5.0135 8.0059 8.0059 8.0134 8.0134 8.0753 8.0753 9.4353 9.4353 9.5430 9.5430 k = 0.0000 0.0000 0.2012 ( 6053 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2604 -9.2604 -8.9077 -8.9077 1.5627 1.5627 3.1882 3.1882 3.6470 3.6470 3.9175 3.9175 4.6539 4.6539 5.0085 5.0085 8.0062 8.0062 8.0129 8.0129 8.0817 8.0817 9.4408 9.4408 9.5491 9.5491 k = 0.0000 0.0000 0.2124 ( 6053 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2507 -9.2507 -8.9188 -8.9188 1.6164 1.6164 3.1142 3.1142 3.6493 3.6493 3.9200 3.9200 4.6474 4.6474 5.0040 5.0040 8.0064 8.0064 8.0124 8.0124 8.0873 8.0873 9.4458 9.4458 9.5545 9.5545 k = 0.0000 0.0000 0.2236 ( 6047 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2416 -9.2416 -8.9290 -8.9290 1.6677 1.6677 3.0453 3.0453 3.6514 3.6514 3.9223 3.9223 4.6418 4.6418 5.0001 5.0001 8.0065 8.0065 8.0120 8.0120 8.0921 8.0921 9.4501 9.4501 9.5593 9.5593 k = 0.0000 0.0000 0.2348 ( 6059 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2335 -9.2335 -8.9381 -8.9381 1.7148 1.7148 2.9835 2.9835 3.6532 3.6532 3.9241 3.9241 4.6371 4.6371 4.9968 4.9968 8.0065 8.0065 8.0117 8.0117 8.0960 8.0960 9.4538 9.4538 9.5633 9.5633 k = 0.0000 0.0000 0.2460 ( 6059 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2267 -9.2267 -8.9458 -8.9458 1.7556 1.7556 2.9310 2.9310 3.6547 3.6547 3.9256 3.9256 4.6335 4.6335 4.9941 4.9941 8.0065 8.0065 8.0115 8.0115 8.0990 8.0990 9.4567 9.4567 9.5665 9.5665 k = 0.0000 0.0000 0.2571 ( 6059 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2216 -9.2216 -8.9515 -8.9515 1.7875 1.7875 2.8907 2.8907 3.6558 3.6558 3.9267 3.9267 4.6309 4.6309 4.9922 4.9922 8.0065 8.0065 8.0113 8.0113 8.1011 8.1011 9.4589 9.4589 9.5688 9.5688 k = 0.0000 0.0000 0.2683 ( 6058 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2183 -9.2183 -8.9551 -8.9551 1.8080 1.8080 2.8651 2.8651 3.6565 3.6565 3.9274 3.9274 4.6293 4.6293 4.9910 4.9910 8.0065 8.0065 8.0111 8.0111 8.1024 8.1024 9.4602 9.4602 9.5702 9.5702 k = 0.0000 0.0000 0.2795 ( 6058 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2172 -9.2172 -8.9563 -8.9563 1.8151 1.8151 2.8564 2.8564 3.6567 3.6567 3.9276 3.9276 4.6287 4.6287 4.9907 4.9907 8.0065 8.0065 8.0111 8.0111 8.1029 8.1029 9.4606 9.4606 9.5707 9.5707 k = 0.0000 0.0000 0.2795 ( 6058 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2172 -9.2172 -8.9563 -8.9563 1.8151 1.8151 2.8564 2.8564 3.6567 3.6567 3.9276 3.9276 4.6287 4.6287 4.9907 4.9907 8.0065 8.0065 8.0111 8.0111 8.1029 8.1029 9.4606 9.4606 9.5707 9.5707 k = 0.0100 0.0058 0.2795 ( 6058 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2166 -9.2166 -8.9560 -8.9560 1.8158 1.8158 2.8546 2.8546 3.6567 3.6567 3.9273 3.9273 4.6257 4.6257 4.9871 4.9871 8.0071 8.0071 8.0119 8.0119 8.1043 8.1043 9.4590 9.4590 9.5687 9.5687 k = 0.0200 0.0115 0.2795 ( 6062 PWs) bands (ev): -49.7578 -49.7578 -26.4529 -26.4529 -25.8065 -25.8065 -25.7912 -25.7912 -9.2148 -9.2148 -8.9550 -8.9550 1.8179 1.8179 2.8493 2.8493 3.6569 3.6569 3.9264 3.9264 4.6166 4.6166 4.9766 4.9766 8.0078 8.0078 8.0152 8.0152 8.1087 8.1087 9.4541 9.4541 9.5631 9.5631 k = 0.0300 0.0173 0.2795 ( 6064 PWs) bands (ev): -49.7577 -49.7577 -26.4530 -26.4530 -25.8067 -25.8067 -25.7912 -25.7912 -9.2117 -9.2117 -8.9532 -8.9532 1.8215 1.8215 2.8405 2.8405 3.6570 3.6570 3.9248 3.9248 4.6013 4.6013 4.9598 4.9598 8.0070 8.0070 8.0220 8.0220 8.1165 8.1165 9.4454 9.4454 9.5548 9.5548 k = 0.0400 0.0231 0.2795 ( 6064 PWs) bands (ev): -49.7577 -49.7577 -26.4531 -26.4531 -25.8070 -25.8070 -25.7912 -25.7912 -9.2075 -9.2075 -8.9508 -8.9508 1.8263 1.8263 2.8283 2.8283 3.6572 3.6572 3.9225 3.9225 4.5794 4.5794 4.9373 4.9373 8.0042 8.0042 8.0317 8.0317 8.1282 8.1282 9.4323 9.4323 9.5453 9.5453 k = 0.0500 0.0289 0.2795 ( 6052 PWs) bands (ev): -49.7577 -49.7577 -26.4533 -26.4533 -25.8074 -25.8074 -25.7913 -25.7913 -9.2021 -9.2021 -8.9477 -8.9477 1.8325 1.8325 2.8130 2.8130 3.6572 3.6572 3.9194 3.9194 4.5506 4.5506 4.9105 4.9105 7.9993 7.9993 8.0441 8.0441 8.1439 8.1439 9.4144 9.4144 9.5360 9.5360 k = 0.0600 0.0346 0.2795 ( 6056 PWs) bands (ev): -49.7576 -49.7576 -26.4536 -26.4536 -25.8078 -25.8078 -25.7913 -25.7913 -9.1955 -9.1955 -8.9440 -8.9440 1.8400 1.8400 2.7945 2.7945 3.6571 3.6571 3.9156 3.9156 4.5146 4.5146 4.8804 4.8804 7.9921 7.9921 8.0589 8.0589 8.1632 8.1632 9.3919 9.3919 9.5276 9.5276 k = 0.0700 0.0404 0.2795 ( 6056 PWs) bands (ev): -49.7575 -49.7575 -26.4539 -26.4539 -25.8084 -25.8084 -25.7913 -25.7913 -9.1877 -9.1877 -8.9396 -8.9396 1.8486 1.8486 2.7732 2.7732 3.6567 3.6567 3.9107 3.9107 4.4712 4.4712 4.8482 4.8482 7.9828 7.9828 8.0760 8.0760 8.1857 8.1857 9.3659 9.3659 9.5204 9.5204 k = 0.0800 0.0462 0.2795 ( 6052 PWs) bands (ev): -49.7575 -49.7575 -26.4542 -26.4542 -25.8090 -25.8090 -25.7913 -25.7913 -9.1789 -9.1789 -8.9345 -8.9345 1.8584 1.8584 2.7491 2.7491 3.6560 3.6560 3.9049 3.9049 4.4207 4.4207 4.8149 4.8149 7.9714 7.9714 8.0952 8.0952 8.2106 8.2106 9.3374 9.3374 9.5143 9.5143 k = 0.0900 0.0520 0.2795 ( 6048 PWs) bands (ev): -49.7574 -49.7574 -26.4546 -26.4546 -25.8097 -25.8097 -25.7913 -25.7913 -9.1689 -9.1689 -8.9288 -8.9288 1.8691 1.8691 2.7226 2.7226 3.6548 3.6548 3.8977 3.8977 4.3635 4.3635 4.7812 4.7812 7.9582 7.9582 8.1162 8.1162 8.2375 8.2375 9.3078 9.3078 9.5091 9.5091 k = 0.1000 0.0577 0.2795 ( 6044 PWs) bands (ev): -49.7573 -49.7573 -26.4550 -26.4550 -25.8105 -25.8105 -25.7913 -25.7913 -9.1578 -9.1578 -8.9225 -8.9225 1.8807 1.8807 2.6937 2.6937 3.6530 3.6530 3.8891 3.8891 4.3004 4.3004 4.7476 4.7476 7.9431 7.9431 8.1390 8.1390 8.2657 8.2657 9.2782 9.2782 9.5046 9.5046 k = 0.1100 0.0635 0.2795 ( 6042 PWs) bands (ev): -49.7572 -49.7572 -26.4554 -26.4554 -25.8114 -25.8114 -25.7914 -25.7914 -9.1457 -9.1457 -8.9156 -8.9156 1.8931 1.8931 2.6627 2.6627 3.6505 3.6505 3.8785 3.8785 4.2328 4.2328 4.7142 4.7142 7.9265 7.9265 8.1631 8.1631 8.2946 8.2946 9.2496 9.2496 9.5007 9.5007 k = 0.1200 0.0693 0.2795 ( 6038 PWs) bands (ev): -49.7571 -49.7571 -26.4559 -26.4559 -25.8124 -25.8124 -25.7914 -25.7914 -9.1327 -9.1327 -8.9082 -8.9082 1.9060 1.9060 2.6299 2.6299 3.6472 3.6472 3.8652 3.8652 4.1624 4.1624 4.6812 4.6812 7.9083 7.9083 8.1886 8.1886 8.3238 8.3238 9.2231 9.2231 9.4974 9.4974 k = 0.1300 0.0751 0.2795 ( 6042 PWs) bands (ev): -49.7570 -49.7570 -26.4564 -26.4564 -25.8134 -25.8134 -25.7914 -25.7914 -9.1186 -9.1186 -8.9002 -8.9002 1.9193 1.9193 2.5953 2.5953 3.6429 3.6429 3.8479 3.8479 4.0917 4.0917 4.6485 4.6485 7.8887 7.8887 8.2151 8.2151 8.3530 8.3530 9.1992 9.1992 9.4946 9.4946 k = 0.1400 0.0808 0.2795 ( 6034 PWs) bands (ev): -49.7569 -49.7569 -26.4569 -26.4569 -25.8145 -25.8145 -25.7913 -25.7913 -9.1037 -9.1037 -8.8916 -8.8916 1.9326 1.9326 2.5592 2.5592 3.6375 3.6375 3.8242 3.8242 4.0243 4.0243 4.6161 4.6161 7.8677 7.8677 8.2425 8.2425 8.3817 8.3817 9.1788 9.1788 9.4923 9.4923 k = 0.1500 0.0866 0.2795 ( 6026 PWs) bands (ev): -49.7567 -49.7567 -26.4575 -26.4575 -25.8156 -25.8156 -25.7913 -25.7913 -9.0879 -9.0879 -8.8825 -8.8825 1.9458 1.9458 2.5217 2.5217 3.6302 3.6302 3.7900 3.7900 3.9657 3.9657 4.5842 4.5842 7.8455 7.8455 8.2705 8.2705 8.4096 8.4096 9.1623 9.1623 9.4906 9.4906 k = 0.1600 0.0924 0.2795 ( 6028 PWs) bands (ev): -49.7566 -49.7566 -26.4581 -26.4581 -25.8168 -25.8168 -25.7913 -25.7913 -9.0712 -9.0712 -8.8730 -8.8730 1.9585 1.9585 2.4830 2.4830 3.6198 3.6198 3.7432 3.7432 3.9205 3.9205 4.5526 4.5526 7.8220 7.8220 8.2990 8.2990 8.4366 8.4366 9.1503 9.1503 9.4895 9.4895 k = 0.1700 0.0981 0.2795 ( 6030 PWs) bands (ev): -49.7565 -49.7565 -26.4588 -26.4588 -25.8181 -25.8181 -25.7913 -25.7913 -9.0539 -9.0539 -8.8630 -8.8630 1.9703 1.9703 2.4433 2.4433 3.6016 3.6016 3.6904 3.6904 3.8877 3.8877 4.5215 4.5215 7.7975 7.7975 8.3278 8.3278 8.4623 8.4623 9.1432 9.1432 9.4890 9.4890 k = 0.1800 0.1039 0.2795 ( 6034 PWs) bands (ev): -49.7563 -49.7563 -26.4594 -26.4594 -25.8194 -25.8194 -25.7912 -25.7912 -9.0358 -9.0358 -8.8526 -8.8526 1.9807 1.9807 2.4027 2.4027 3.5631 3.5631 3.6497 3.6497 3.8626 3.8626 4.4909 4.4909 7.7720 7.7720 8.3568 8.3568 8.4867 8.4867 9.1411 9.1411 9.4891 9.4891 k = 0.1900 0.1097 0.2795 ( 6026 PWs) bands (ev): -49.7562 -49.7562 -26.4601 -26.4601 -25.8208 -25.8208 -25.7912 -25.7912 -9.0172 -9.0172 -8.8418 -8.8418 1.9893 1.9893 2.3613 2.3613 3.5025 3.5025 3.6276 3.6276 3.8416 3.8416 4.4609 4.4609 7.7457 7.7457 8.3857 8.3857 8.5098 8.5098 9.1442 9.1442 9.4899 9.4899 k = 0.2000 0.1155 0.2795 ( 6026 PWs) bands (ev): -49.7560 -49.7560 -26.4608 -26.4608 -25.8221 -25.8221 -25.7911 -25.7911 -8.9979 -8.9979 -8.8306 -8.8306 1.9954 1.9954 2.3193 2.3193 3.4340 3.4340 3.6133 3.6133 3.8224 3.8224 4.4315 4.4315 7.7186 7.7186 8.4145 8.4145 8.5316 8.5316 9.1524 9.1524 9.4914 9.4914 k = 0.2100 0.1212 0.2795 ( 6034 PWs) bands (ev): -49.7559 -49.7559 -26.4615 -26.4615 -25.8235 -25.8235 -25.7911 -25.7911 -8.9783 -8.9783 -8.8190 -8.8190 1.9984 1.9984 2.2767 2.2767 3.3652 3.3652 3.6010 3.6010 3.8042 3.8042 4.4029 4.4029 7.6910 7.6910 8.4431 8.4431 8.5524 8.5524 9.1657 9.1657 9.4936 9.4936 k = 0.2200 0.1270 0.2795 ( 6046 PWs) bands (ev): -49.7557 -49.7557 -26.4623 -26.4623 -25.8250 -25.8250 -25.7910 -25.7910 -8.9582 -8.9582 -8.8072 -8.8072 1.9976 1.9976 2.2338 2.2338 3.2994 3.2994 3.5891 3.5891 3.7864 3.7864 4.3752 4.3752 7.6630 7.6630 8.4713 8.4713 8.5723 8.5723 9.1838 9.1838 9.4964 9.4964 k = 0.2300 0.1328 0.2795 ( 6046 PWs) bands (ev): -49.7555 -49.7555 -26.4630 -26.4630 -25.8264 -25.8264 -25.7909 -25.7909 -8.9378 -8.9378 -8.7950 -8.7950 1.9923 1.9923 2.1906 2.1906 3.2383 3.2383 3.5771 3.5771 3.7688 3.7688 4.3483 4.3483 7.6347 7.6347 8.4990 8.4990 8.5916 8.5916 9.2063 9.2063 9.4999 9.4999 k = 0.2400 0.1386 0.2795 ( 6048 PWs) bands (ev): -49.7554 -49.7554 -26.4638 -26.4638 -25.8279 -25.8279 -25.7909 -25.7909 -8.9173 -8.9173 -8.7826 -8.7826 1.9817 1.9817 2.1474 2.1474 3.1833 3.1833 3.5650 3.5650 3.7513 3.7513 4.3225 4.3225 7.6063 7.6063 8.5263 8.5263 8.6106 8.6106 9.2328 9.2328 9.5040 9.5040 k = 0.2500 0.1443 0.2795 ( 6046 PWs) bands (ev): -49.7552 -49.7552 -26.4645 -26.4645 -25.8293 -25.8293 -25.7908 -25.7908 -8.8966 -8.8966 -8.7700 -8.7700 1.9651 1.9651 2.1047 2.1047 3.1351 3.1351 3.5527 3.5527 3.7339 3.7339 4.2977 4.2977 7.5779 7.5779 8.5529 8.5529 8.6296 8.6296 9.2629 9.2629 9.5087 9.5087 k = 0.2600 0.1501 0.2795 ( 6042 PWs) bands (ev): -49.7550 -49.7550 -26.4653 -26.4653 -25.8308 -25.8308 -25.7907 -25.7907 -8.8760 -8.8760 -8.7571 -8.7571 1.9418 1.9418 2.0629 2.0629 3.0942 3.0942 3.5404 3.5404 3.7165 3.7165 4.2741 4.2741 7.5497 7.5497 8.5789 8.5789 8.6489 8.6489 9.2962 9.2962 9.5140 9.5140 k = 0.2700 0.1559 0.2795 ( 6046 PWs) bands (ev): -49.7549 -49.7549 -26.4660 -26.4660 -25.8323 -25.8323 -25.7906 -25.7906 -8.8555 -8.8555 -8.7440 -8.7440 1.9112 1.9112 2.0229 2.0229 3.0606 3.0606 3.5281 3.5281 3.6992 3.6992 4.2516 4.2516 7.5218 7.5218 8.6042 8.6042 8.6686 8.6686 9.3323 9.3323 9.5199 9.5199 k = 0.2800 0.1617 0.2795 ( 6046 PWs) bands (ev): -49.7547 -49.7547 -26.4668 -26.4668 -25.8337 -25.8337 -25.7906 -25.7906 -8.8352 -8.8352 -8.7307 -8.7307 1.8736 1.8736 1.9849 1.9849 3.0340 3.0340 3.5162 3.5162 3.6820 3.6820 4.2303 4.2303 7.4943 7.4943 8.6289 8.6289 8.6888 8.6888 9.3706 9.3706 9.5263 9.5263 k = 0.2900 0.1674 0.2795 ( 6050 PWs) bands (ev): -49.7546 -49.7546 -26.4676 -26.4676 -25.8351 -25.8351 -25.7905 -25.7905 -8.8154 -8.8154 -8.7172 -8.7172 1.8298 1.8298 1.9489 1.9489 3.0138 3.0138 3.5047 3.5047 3.6650 3.6650 4.2102 4.2102 7.4674 7.4674 8.6529 8.6529 8.7098 8.7098 9.4108 9.4108 9.5333 9.5333 k = 0.3000 0.1732 0.2795 ( 6046 PWs) bands (ev): -49.7544 -49.7544 -26.4683 -26.4683 -25.8365 -25.8365 -25.7904 -25.7904 -8.7960 -8.7960 -8.7034 -8.7034 1.7814 1.7814 1.9143 1.9143 2.9991 2.9991 3.4940 3.4940 3.6481 3.6481 4.1913 4.1913 7.4411 7.4411 8.6763 8.6763 8.7315 8.7315 9.4520 9.4520 9.5414 9.5414 k = 0.3100 0.1790 0.2795 ( 6042 PWs) bands (ev): -49.7543 -49.7543 -26.4690 -26.4690 -25.8379 -25.8379 -25.7903 -25.7903 -8.7774 -8.7774 -8.6895 -8.6895 1.7298 1.7298 1.8807 1.8807 2.9888 2.9888 3.4843 3.4843 3.6316 3.6316 4.1737 4.1737 7.4156 7.4156 8.6990 8.6990 8.7538 8.7538 9.4928 9.4928 9.5516 9.5516 k = 0.3200 0.1848 0.2795 ( 6046 PWs) bands (ev): -49.7541 -49.7541 -26.4697 -26.4697 -25.8392 -25.8392 -25.7902 -25.7902 -8.7595 -8.7595 -8.6753 -8.6753 1.6763 1.6763 1.8480 1.8480 2.9820 2.9820 3.4759 3.4759 3.6154 3.6154 4.1573 4.1573 7.3908 7.3908 8.7210 8.7210 8.7769 8.7769 9.5274 9.5274 9.5692 9.5692 k = 0.3300 0.1905 0.2795 ( 6050 PWs) bands (ev): -49.7540 -49.7540 -26.4704 -26.4704 -25.8405 -25.8405 -25.7902 -25.7902 -8.7426 -8.7426 -8.6610 -8.6610 1.6219 1.6219 1.8163 1.8163 2.9777 2.9777 3.4689 3.4689 3.5995 3.5995 4.1422 4.1422 7.3670 7.3670 8.7423 8.7423 8.8007 8.8007 9.5471 9.5471 9.6027 9.6027 k = 0.3400 0.1963 0.2795 ( 6054 PWs) bands (ev): -49.7538 -49.7538 -26.4711 -26.4711 -25.8418 -25.8418 -25.7901 -25.7901 -8.7266 -8.7266 -8.6465 -8.6465 1.5675 1.5675 1.7855 1.7855 2.9749 2.9749 3.4634 3.4634 3.5842 3.5842 4.1283 4.1283 7.3441 7.3441 8.7627 8.7627 8.8252 8.8252 9.5581 9.5581 9.6456 9.6456 k = 0.3500 0.2021 0.2795 ( 6054 PWs) bands (ev): -49.7537 -49.7537 -26.4718 -26.4718 -25.8429 -25.8429 -25.7900 -25.7900 -8.7117 -8.7117 -8.6320 -8.6320 1.5137 1.5137 1.7559 1.7559 2.9731 2.9731 3.4597 3.4597 3.5695 3.5695 4.1155 4.1155 7.3222 7.3222 8.7822 8.7822 8.8503 8.8503 9.5666 9.5666 9.6912 9.6912 k = 0.3600 0.2078 0.2795 ( 6054 PWs) bands (ev): -49.7536 -49.7536 -26.4724 -26.4724 -25.8441 -25.8441 -25.7899 -25.7899 -8.6980 -8.6980 -8.6175 -8.6175 1.4612 1.4612 1.7275 1.7275 2.9717 2.9717 3.4576 3.4576 3.5554 3.5554 4.1039 4.1039 7.3014 7.3014 8.8007 8.8007 8.8759 8.8759 9.5742 9.5742 9.7376 9.7376 k = 0.3700 0.2136 0.2795 ( 6046 PWs) bands (ev): -49.7534 -49.7534 -26.4730 -26.4730 -25.8452 -25.8452 -25.7898 -25.7898 -8.6853 -8.6853 -8.6033 -8.6033 1.4106 1.4106 1.7006 1.7006 2.9701 2.9701 3.4570 3.4570 3.5421 3.5421 4.0934 4.0934 7.2818 7.2818 8.8182 8.8182 8.9018 8.9018 9.5812 9.5812 9.7842 9.7842 k = 0.3800 0.2194 0.2795 ( 6054 PWs) bands (ev): -49.7533 -49.7533 -26.4736 -26.4736 -25.8462 -25.8462 -25.7898 -25.7898 -8.6736 -8.6736 -8.5893 -8.5893 1.3622 1.3622 1.6752 1.6752 2.9683 2.9683 3.4578 3.4578 3.5298 3.5298 4.0840 4.0840 7.2633 7.2633 8.8346 8.8346 8.9278 8.9278 9.5877 9.5877 9.8304 9.8304 k = 0.3900 0.2252 0.2795 ( 6048 PWs) bands (ev): -49.7532 -49.7532 -26.4741 -26.4741 -25.8471 -25.8471 -25.7897 -25.7897 -8.6630 -8.6630 -8.5759 -8.5759 1.3165 1.3165 1.6515 1.6515 2.9661 2.9661 3.4594 3.4594 3.5188 3.5188 4.0756 4.0756 7.2461 7.2461 8.8498 8.8498 8.9536 8.9536 9.5939 9.5939 9.8758 9.8758 k = 0.4000 0.2309 0.2795 ( 6044 PWs) bands (ev): -49.7531 -49.7531 -26.4746 -26.4746 -25.8480 -25.8480 -25.7897 -25.7897 -8.6534 -8.6534 -8.5632 -8.5632 1.2738 1.2738 1.6296 1.6296 2.9635 2.9635 3.4613 3.4613 3.5094 3.5094 4.0682 4.0682 7.2301 7.2301 8.8639 8.8639 8.9790 8.9790 9.5996 9.5996 9.9200 9.9200 k = 0.4100 0.2367 0.2795 ( 6036 PWs) bands (ev): -49.7530 -49.7530 -26.4750 -26.4750 -25.8488 -25.8488 -25.7896 -25.7896 -8.6447 -8.6447 -8.5512 -8.5512 1.2344 1.2344 1.6095 1.6095 2.9605 2.9605 3.4625 3.4625 3.5025 3.5025 4.0617 4.0617 7.2155 7.2155 8.8768 8.8768 9.0036 9.0036 9.6049 9.6049 9.9625 9.9625 k = 0.4200 0.2425 0.2795 ( 6032 PWs) bands (ev): -49.7529 -49.7529 -26.4754 -26.4754 -25.8495 -25.8495 -25.7895 -25.7895 -8.6370 -8.6370 -8.5402 -8.5402 1.1985 1.1985 1.5913 1.5913 2.9572 2.9572 3.4619 3.4619 3.4987 3.4987 4.0561 4.0561 7.2023 7.2023 8.8884 8.8884 9.0271 9.0271 9.6097 9.6097 10.0030 10.0030 k = 0.4300 0.2483 0.2795 ( 6026 PWs) bands (ev): -49.7529 -49.7529 -26.4758 -26.4758 -25.8502 -25.8502 -25.7895 -25.7895 -8.6302 -8.6302 -8.5302 -8.5302 1.1664 1.1664 1.5751 1.5751 2.9539 2.9539 3.4591 3.4591 3.4983 3.4983 4.0513 4.0513 7.1905 7.1905 8.8988 8.8988 9.0491 9.0491 9.6141 9.6141 10.0409 10.0409 k = 0.4400 0.2540 0.2795 ( 6018 PWs) bands (ev): -49.7528 -49.7528 -26.4761 -26.4761 -25.8508 -25.8508 -25.7895 -25.7895 -8.6243 -8.6243 -8.5214 -8.5214 1.1382 1.1382 1.5609 1.5609 2.9507 2.9507 3.4549 3.4549 3.5003 3.5003 4.0474 4.0474 7.1801 7.1801 8.9078 8.9078 9.0692 9.0692 9.6179 9.6179 10.0757 10.0757 k = 0.4500 0.2598 0.2795 ( 6026 PWs) bands (ev): -49.7528 -49.7528 -26.4764 -26.4764 -25.8512 -25.8512 -25.7894 -25.7894 -8.6193 -8.6193 -8.5138 -8.5138 1.1141 1.1141 1.5488 1.5488 2.9476 2.9476 3.4503 3.4503 3.5033 3.5033 4.0441 4.0441 7.1713 7.1713 8.9155 8.9155 9.0871 9.0871 9.6211 9.6211 10.1068 10.1068 k = 0.4600 0.2656 0.2795 ( 6028 PWs) bands (ev): -49.7527 -49.7527 -26.4766 -26.4766 -25.8516 -25.8516 -25.7894 -25.7894 -8.6152 -8.6152 -8.5074 -8.5074 1.0943 1.0943 1.5389 1.5389 2.9450 2.9450 3.4462 3.4462 3.5065 3.5065 4.0415 4.0415 7.1641 7.1641 8.9219 8.9219 9.1023 9.1023 9.6238 9.6238 10.1335 10.1335 k = 0.4700 0.2714 0.2795 ( 6028 PWs) bands (ev): -49.7527 -49.7527 -26.4768 -26.4768 -25.8519 -25.8519 -25.7894 -25.7894 -8.6120 -8.6120 -8.5025 -8.5025 1.0787 1.0787 1.5312 1.5312 2.9428 2.9428 3.4427 3.4427 3.5093 3.5093 4.0396 4.0396 7.1584 7.1584 8.9268 8.9268 9.1145 9.1145 9.6260 9.6260 10.1552 10.1552 k = 0.4800 0.2771 0.2795 ( 6040 PWs) bands (ev): -49.7526 -49.7526 -26.4769 -26.4769 -25.8522 -25.8522 -25.7894 -25.7894 -8.6098 -8.6098 -8.4989 -8.4989 1.0675 1.0675 1.5256 1.5256 2.9411 2.9411 3.4401 3.4401 3.5116 3.5116 4.0382 4.0382 7.1543 7.1543 8.9304 8.9304 9.1234 9.1234 9.6275 9.6275 10.1713 10.1713 k = 0.4900 0.2829 0.2795 ( 6032 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8523 -25.8523 -25.7893 -25.7893 -8.6084 -8.6084 -8.4967 -8.4967 1.0608 1.0608 1.5223 1.5223 2.9401 2.9401 3.4385 3.4385 3.5130 3.5130 4.0374 4.0374 7.1519 7.1519 8.9325 8.9325 9.1289 9.1289 9.6284 9.6284 10.1812 10.1812 k = 0.5000 0.2887 0.2795 ( 6032 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8523 -25.8523 -25.7893 -25.7893 -8.6080 -8.6080 -8.4960 -8.4960 1.0586 1.0586 1.5211 1.5211 2.9398 2.9398 3.4380 3.4380 3.5134 3.5134 4.0372 4.0372 7.1510 7.1510 8.9332 8.9332 9.1307 9.1307 9.6287 9.6287 10.1845 10.1845 k = 0.5000 0.2887 0.2795 ( 6032 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8523 -25.8523 -25.7893 -25.7893 -8.6080 -8.6080 -8.4960 -8.4960 1.0586 1.0586 1.5211 1.5211 2.9398 2.9398 3.4380 3.4380 3.5134 3.5134 4.0372 4.0372 7.1510 7.1510 8.9332 8.9332 9.1307 9.1307 9.6287 9.6287 10.1845 10.1845 k = 0.4943 0.2986 0.2795 ( 6032 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7894 -25.7894 -8.6077 -8.6077 -8.4959 -8.4959 1.0597 1.0597 1.5218 1.5218 2.9398 2.9398 3.4361 3.4361 3.5126 3.5126 4.0328 4.0328 7.1542 7.1542 8.9325 8.9325 9.1299 9.1299 9.6277 9.6277 10.1849 10.1849 k = 0.4885 0.3086 0.2795 ( 6036 PWs) bands (ev): -49.7526 -49.7526 -26.4771 -26.4771 -25.8524 -25.8524 -25.7894 -25.7894 -8.6068 -8.6068 -8.4957 -8.4957 1.0632 1.0632 1.5239 1.5239 2.9399 2.9399 3.4304 3.4304 3.5099 3.5099 4.0200 4.0200 7.1638 7.1638 8.9302 8.9302 9.1276 9.1276 9.6247 9.6247 10.1860 10.1860 k = 0.4828 0.3185 0.2795 ( 6044 PWs) bands (ev): -49.7526 -49.7526 -26.4771 -26.4771 -25.8524 -25.8524 -25.7894 -25.7894 -8.6055 -8.6055 -8.4953 -8.4953 1.0691 1.0691 1.5274 1.5274 2.9399 2.9399 3.4210 3.4210 3.5055 3.5055 3.9991 3.9991 7.1794 7.1794 8.9264 8.9264 9.1237 9.1237 9.6199 9.6199 10.1878 10.1878 k = 0.4770 0.3285 0.2795 ( 6040 PWs) bands (ev): -49.7526 -49.7526 -26.4771 -26.4771 -25.8524 -25.8524 -25.7895 -25.7895 -8.6035 -8.6035 -8.4948 -8.4948 1.0772 1.0772 1.5322 1.5322 2.9398 2.9398 3.4080 3.4080 3.4993 3.4993 3.9707 3.9707 7.2008 7.2008 8.9213 8.9213 9.1182 9.1182 9.6136 9.6136 10.1900 10.1900 k = 0.4713 0.3384 0.2795 ( 6040 PWs) bands (ev): -49.7526 -49.7526 -26.4772 -26.4772 -25.8525 -25.8525 -25.7896 -25.7896 -8.6011 -8.6011 -8.4942 -8.4942 1.0876 1.0876 1.5383 1.5383 2.9394 2.9394 3.3914 3.3914 3.4911 3.4911 3.9358 3.9358 7.2276 7.2276 8.9148 8.9148 9.1112 9.1112 9.6063 9.6063 10.1925 10.1925 k = 0.4655 0.3484 0.2795 ( 6034 PWs) bands (ev): -49.7526 -49.7526 -26.4772 -26.4772 -25.8525 -25.8525 -25.7898 -25.7898 -8.5982 -8.5982 -8.4934 -8.4934 1.1004 1.1004 1.5458 1.5458 2.9385 2.9385 3.3714 3.3714 3.4809 3.4809 3.8953 3.8953 7.2593 7.2593 8.9071 8.9071 9.1027 9.1027 9.5983 9.5983 10.1950 10.1950 k = 0.4598 0.3584 0.2795 ( 6042 PWs) bands (ev): -49.7525 -49.7525 -26.4773 -26.4773 -25.8526 -25.8526 -25.7899 -25.7899 -8.5947 -8.5947 -8.4925 -8.4925 1.1154 1.1154 1.5546 1.5546 2.9367 2.9367 3.3482 3.3482 3.4686 3.4686 3.8506 3.8506 7.2953 7.2953 8.8982 8.8982 9.0926 9.0926 9.5901 9.5901 10.1972 10.1972 k = 0.4540 0.3683 0.2795 ( 6038 PWs) bands (ev): -49.7525 -49.7525 -26.4774 -26.4774 -25.8527 -25.8527 -25.7901 -25.7901 -8.5908 -8.5908 -8.4915 -8.4915 1.1326 1.1326 1.5647 1.5647 2.9338 2.9338 3.3218 3.3218 3.4539 3.4539 3.8032 3.8032 7.3351 7.3351 8.8881 8.8881 9.0811 9.0811 9.5823 9.5823 10.1990 10.1990 k = 0.4483 0.3783 0.2795 ( 6038 PWs) bands (ev): -49.7525 -49.7525 -26.4775 -26.4775 -25.8527 -25.8527 -25.7902 -25.7902 -8.5865 -8.5865 -8.4904 -8.4904 1.1521 1.1521 1.5760 1.5760 2.9291 2.9291 3.2922 3.2922 3.4368 3.4368 3.7549 3.7549 7.3783 7.3783 8.8769 8.8769 9.0680 9.0680 9.5754 9.5754 10.1999 10.1999 k = 0.4425 0.3882 0.2795 ( 6026 PWs) bands (ev): -49.7525 -49.7525 -26.4776 -26.4776 -25.8528 -25.8528 -25.7904 -25.7904 -8.5818 -8.5818 -8.4893 -8.4893 1.1737 1.1737 1.5885 1.5885 2.9221 2.9221 3.2595 3.2595 3.4172 3.4172 3.7075 3.7075 7.4243 7.4243 8.8646 8.8646 9.0535 9.0535 9.5699 9.5699 10.1999 10.1999 k = 0.4368 0.3982 0.2795 ( 6022 PWs) bands (ev): -49.7524 -49.7524 -26.4777 -26.4777 -25.8529 -25.8529 -25.7906 -25.7906 -8.5767 -8.5767 -8.4881 -8.4881 1.1975 1.1975 1.6021 1.6021 2.9118 2.9118 3.2233 3.2233 3.3955 3.3955 3.6627 3.6627 7.4728 7.4728 8.8512 8.8512 9.0376 9.0376 9.5662 9.5662 10.1986 10.1986 k = 0.4310 0.4081 0.2795 ( 6030 PWs) bands (ev): -49.7524 -49.7524 -26.4778 -26.4778 -25.8530 -25.8530 -25.7908 -25.7908 -8.5713 -8.5713 -8.4868 -8.4868 1.2234 1.2234 1.6169 1.6169 2.8974 2.8974 3.1835 3.1835 3.3725 3.3725 3.6220 3.6220 7.5234 7.5234 8.8366 8.8366 9.0203 9.0203 9.5646 9.5646 10.1960 10.1960 k = 0.4253 0.4181 0.2795 ( 6018 PWs) bands (ev): -49.7524 -49.7524 -26.4779 -26.4779 -25.8531 -25.8531 -25.7910 -25.7910 -8.5656 -8.5656 -8.4855 -8.4855 1.2513 1.2513 1.6326 1.6326 2.8779 2.8779 3.1400 3.1400 3.3497 3.3497 3.5861 3.5861 7.5757 7.5757 8.8207 8.8207 9.0016 9.0016 9.5657 9.5657 10.1918 10.1918 k = 0.4195 0.4280 0.2795 ( 6014 PWs) bands (ev): -49.7523 -49.7523 -26.4780 -26.4780 -25.8533 -25.8533 -25.7912 -25.7912 -8.5597 -8.5597 -8.4842 -8.4842 1.2811 1.2811 1.6493 1.6493 2.8522 2.8522 3.0932 3.0932 3.3288 3.3288 3.5549 3.5549 7.6296 7.6296 8.8037 8.8037 8.9817 8.9817 9.5695 9.5695 10.1861 10.1861 k = 0.4138 0.4380 0.2795 ( 6010 PWs) bands (ev): -49.7523 -49.7523 -26.4781 -26.4781 -25.8534 -25.8534 -25.7914 -25.7914 -8.5537 -8.5537 -8.4830 -8.4830 1.3130 1.3130 1.6668 1.6668 2.8195 2.8195 3.0441 3.0441 3.3112 3.3112 3.5279 3.5279 7.6846 7.6846 8.7854 8.7854 8.9605 8.9605 9.5762 9.5762 10.1786 10.1786 k = 0.4080 0.4479 0.2795 ( 6018 PWs) bands (ev): -49.7523 -49.7523 -26.4782 -26.4782 -25.8535 -25.8535 -25.7916 -25.7916 -8.5474 -8.5474 -8.4818 -8.4818 1.3466 1.3466 1.6851 1.6851 2.7792 2.7792 2.9942 2.9942 3.2977 3.2977 3.5043 3.5043 7.7407 7.7407 8.7660 8.7660 8.9382 8.9382 9.5860 9.5860 10.1694 10.1694 k = 0.4023 0.4579 0.2795 ( 6010 PWs) bands (ev): -49.7522 -49.7522 -26.4784 -26.4784 -25.8537 -25.8537 -25.7918 -25.7918 -8.5412 -8.5412 -8.4807 -8.4807 1.3820 1.3820 1.7039 1.7039 2.7314 2.7314 2.9452 2.9452 3.2882 3.2882 3.4835 3.4835 7.7977 7.7977 8.7454 8.7454 8.9148 8.9148 9.5989 9.5989 10.1585 10.1585 k = 0.3966 0.4679 0.2795 ( 6008 PWs) bands (ev): -49.7522 -49.7522 -26.4785 -26.4785 -25.8538 -25.8538 -25.7920 -25.7920 -8.5349 -8.5349 -8.4796 -8.4796 1.4190 1.4190 1.7233 1.7233 2.6769 2.6769 2.8982 2.8982 3.2824 3.2824 3.4648 3.4648 7.8552 7.8552 8.7237 8.7237 8.8904 8.8904 9.6147 9.6147 10.1458 10.1458 k = 0.3908 0.4778 0.2795 ( 6008 PWs) bands (ev): -49.7522 -49.7522 -26.4786 -26.4786 -25.8540 -25.8540 -25.7922 -25.7922 -8.5286 -8.5286 -8.4787 -8.4787 1.4575 1.4575 1.7428 1.7428 2.6169 2.6169 2.8537 2.8537 3.2797 3.2797 3.4478 3.4478 7.9133 7.9133 8.7011 8.7011 8.8651 8.8651 9.6332 9.6332 10.1314 10.1314 k = 0.3851 0.4878 0.2795 ( 6012 PWs) bands (ev): -49.7521 -49.7521 -26.4787 -26.4787 -25.8541 -25.8541 -25.7923 -25.7923 -8.5224 -8.5224 -8.4780 -8.4780 1.4974 1.4974 1.7625 1.7625 2.5532 2.5532 2.8119 2.8119 3.2795 3.2795 3.4324 3.4324 7.9717 7.9717 8.6776 8.6776 8.8391 8.8391 9.6544 9.6544 10.1153 10.1153 k = 0.3793 0.4977 0.2795 ( 6016 PWs) bands (ev): -49.7521 -49.7521 -26.4788 -26.4788 -25.8543 -25.8543 -25.7925 -25.7925 -8.5165 -8.5165 -8.4774 -8.4774 1.5384 1.5384 1.7821 1.7821 2.4874 2.4874 2.7729 2.7729 3.2811 3.2811 3.4184 3.4184 8.0302 8.0302 8.6535 8.6535 8.8125 8.8125 9.6779 9.6779 10.0977 10.0977 k = 0.3736 0.5077 0.2795 ( 6008 PWs) bands (ev): -49.7521 -49.7521 -26.4789 -26.4789 -25.8544 -25.8544 -25.7926 -25.7926 -8.5107 -8.5107 -8.4770 -8.4770 1.5801 1.5801 1.8015 1.8015 2.4209 2.4209 2.7369 2.7369 3.2839 3.2839 3.4058 3.4058 8.0886 8.0886 8.6287 8.6287 8.7854 8.7854 9.7034 9.7034 10.0784 10.0784 k = 0.3678 0.5176 0.2795 ( 6012 PWs) bands (ev): -49.7521 -49.7521 -26.4790 -26.4790 -25.8545 -25.8545 -25.7927 -25.7927 -8.5053 -8.5053 -8.4769 -8.4769 1.6221 1.6221 1.8204 1.8204 2.3549 2.3549 2.7042 2.7042 3.2876 3.2876 3.3945 3.3945 8.1467 8.1467 8.6035 8.6035 8.7581 8.7581 9.7305 9.7305 10.0576 10.0576 k = 0.3621 0.5276 0.2795 ( 6014 PWs) bands (ev): -49.7520 -49.7520 -26.4791 -26.4791 -25.8547 -25.8547 -25.7928 -25.7928 -8.5002 -8.5002 -8.4770 -8.4770 1.6635 1.6635 1.8390 1.8390 2.2905 2.2905 2.6752 2.6752 3.2916 3.2916 3.3847 3.3847 8.2040 8.2040 8.5780 8.5780 8.7309 8.7309 9.7590 9.7590 10.0355 10.0355 k = 0.3563 0.5375 0.2795 ( 6022 PWs) bands (ev): -49.7520 -49.7520 -26.4792 -26.4792 -25.8548 -25.8548 -25.7929 -25.7929 -8.4955 -8.4955 -8.4773 -8.4773 1.7030 1.7030 1.8576 1.8576 2.2288 2.2288 2.6505 2.6505 3.2954 3.2954 3.3765 3.3765 8.2601 8.2601 8.5524 8.5524 8.7041 8.7041 9.7883 9.7883 10.0120 10.0120 k = 0.3506 0.5475 0.2795 ( 6022 PWs) bands (ev): -49.7520 -49.7520 -26.4793 -26.4793 -25.8548 -25.8548 -25.7930 -25.7930 -8.4914 -8.4914 -8.4780 -8.4780 1.7384 1.7384 1.8771 1.8771 2.1711 2.1711 2.6306 2.6306 3.2988 3.2988 3.3701 3.3701 8.3141 8.3141 8.5269 8.5269 8.6785 8.6785 9.8180 9.8180 9.9874 9.9874 k = 0.3448 0.5574 0.2795 ( 6030 PWs) bands (ev): -49.7520 -49.7520 -26.4793 -26.4793 -25.8549 -25.8549 -25.7930 -25.7930 -8.4878 -8.4878 -8.4790 -8.4790 1.7663 1.7663 1.8983 1.8983 2.1199 2.1199 2.6160 2.6160 3.3012 3.3012 3.3657 3.3657 8.3642 8.3642 8.5021 8.5021 8.6553 8.6553 9.8477 9.8477 9.9618 9.9618 k = 0.3391 0.5674 0.2795 ( 6026 PWs) bands (ev): -49.7520 -49.7520 -26.4793 -26.4793 -25.8550 -25.8550 -25.7930 -25.7930 -8.4850 -8.4850 -8.4802 -8.4802 1.7838 1.7838 1.9190 1.9190 2.0804 2.0804 2.6071 2.6071 3.3026 3.3026 3.3632 3.3632 8.4060 8.4060 8.4796 8.4796 8.6372 8.6372 9.8764 9.8764 9.9358 9.9358 k = 0.3333 0.5774 0.2795 ( 6018 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4835 -8.4835 -8.4811 -8.4811 1.7896 1.7896 1.9289 1.9289 2.0642 2.0642 2.6041 2.6041 3.3030 3.3030 3.3625 3.3625 8.4253 8.4253 8.4685 8.4685 8.6294 8.6294 9.8971 9.8971 9.9160 9.9160 k = 0.3333 0.5774 0.2795 ( 6018 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4835 -8.4835 -8.4811 -8.4811 1.7896 1.7896 1.9289 1.9289 2.0642 2.0642 2.6041 2.6041 3.3030 3.3030 3.3625 3.3625 8.4253 8.4253 8.4685 8.4685 8.6294 8.6294 9.8971 9.8971 9.9160 9.9160 k = 0.3276 0.5674 0.2795 ( 6022 PWs) bands (ev): -49.7520 -49.7520 -26.4793 -26.4793 -25.8550 -25.8550 -25.7930 -25.7930 -8.4848 -8.4848 -8.4804 -8.4804 1.7841 1.7841 1.9194 1.9194 2.0798 2.0798 2.6071 2.6071 3.3027 3.3027 3.3630 3.3630 8.4122 8.4122 8.4715 8.4715 8.6392 8.6392 9.8767 9.8767 9.9354 9.9354 k = 0.3218 0.5574 0.2795 ( 6024 PWs) bands (ev): -49.7520 -49.7520 -26.4793 -26.4793 -25.8549 -25.8549 -25.7930 -25.7930 -8.4873 -8.4873 -8.4797 -8.4797 1.7684 1.7684 1.9006 1.9006 2.1163 2.1163 2.6158 2.6158 3.3022 3.3022 3.3644 3.3644 8.3895 8.3895 8.4652 8.4652 8.6667 8.6667 9.8486 9.8486 9.9601 9.9601 k = 0.3161 0.5475 0.2795 ( 6024 PWs) bands (ev): -49.7520 -49.7520 -26.4792 -26.4792 -25.8548 -25.8548 -25.7930 -25.7930 -8.4902 -8.4902 -8.4798 -8.4798 1.7452 1.7452 1.8820 1.8820 2.1622 2.1622 2.6298 2.6298 3.3019 3.3019 3.3661 3.3661 8.3653 8.3653 8.4492 8.4492 8.7045 8.7045 9.8197 9.8197 9.9829 9.9829 k = 0.3103 0.5375 0.2795 ( 6024 PWs) bands (ev): -49.7520 -49.7520 -26.4792 -26.4792 -25.8547 -25.8547 -25.7929 -25.7929 -8.4937 -8.4937 -8.4808 -8.4808 1.7178 1.7178 1.8657 1.8657 2.2124 2.2124 2.6488 2.6488 3.3019 3.3019 3.3679 3.3679 8.3408 8.3408 8.4285 8.4285 8.7461 8.7461 9.7906 9.7906 10.0031 10.0031 k = 0.3046 0.5276 0.2795 ( 6024 PWs) bands (ev): -49.7521 -49.7521 -26.4791 -26.4791 -25.8545 -25.8545 -25.7929 -25.7929 -8.4976 -8.4976 -8.4826 -8.4826 1.6894 1.6894 1.8510 1.8510 2.2651 2.2651 2.6721 2.6721 3.3024 3.3024 3.3695 3.3695 8.3164 8.3164 8.4058 8.4058 8.7882 8.7882 9.7615 9.7615 10.0202 10.0202 k = 0.2989 0.5176 0.2795 ( 6032 PWs) bands (ev): -49.7521 -49.7521 -26.4789 -26.4789 -25.8543 -25.8543 -25.7928 -25.7928 -8.5020 -8.5020 -8.4855 -8.4855 1.6621 1.6621 1.8376 1.8376 2.3192 2.3192 2.6992 2.6992 3.3035 3.3035 3.3710 3.3710 8.2924 8.2924 8.3824 8.3824 8.8292 8.8292 9.7327 9.7327 10.0338 10.0338 k = 0.2931 0.5077 0.2795 ( 6036 PWs) bands (ev): -49.7521 -49.7521 -26.4788 -26.4788 -25.8540 -25.8540 -25.7927 -25.7927 -8.5069 -8.5069 -8.4893 -8.4893 1.6370 1.6370 1.8252 1.8252 2.3741 2.3741 2.7295 2.7295 3.3050 3.3050 3.3724 3.3724 8.2687 8.2687 8.3590 8.3590 8.8682 8.8682 9.7044 9.7044 10.0434 10.0434 k = 0.2874 0.4977 0.2795 ( 6032 PWs) bands (ev): -49.7522 -49.7522 -26.4786 -26.4786 -25.8537 -25.8537 -25.7926 -25.7926 -8.5123 -8.5123 -8.4942 -8.4942 1.6150 1.6150 1.8138 1.8138 2.4295 2.4295 2.7627 2.7627 3.3067 3.3067 3.3740 3.3740 8.2456 8.2456 8.3360 8.3360 8.9044 8.9044 9.6768 9.6768 10.0490 10.0490 k = 0.2816 0.4878 0.2795 ( 6030 PWs) bands (ev): -49.7522 -49.7522 -26.4783 -26.4783 -25.8534 -25.8534 -25.7925 -25.7925 -8.5182 -8.5182 -8.5000 -8.5000 1.5965 1.5965 1.8037 1.8037 2.4849 2.4849 2.7982 2.7982 3.3083 3.3083 3.3762 3.3762 8.2230 8.2230 8.3137 8.3137 8.9374 8.9374 9.6503 9.6503 10.0502 10.0502 k = 0.2759 0.4778 0.2795 ( 6028 PWs) bands (ev): -49.7523 -49.7523 -26.4781 -26.4781 -25.8529 -25.8529 -25.7925 -25.7925 -8.5246 -8.5246 -8.5070 -8.5070 1.5817 1.5817 1.7949 1.7949 2.5402 2.5402 2.8357 2.8357 3.3092 3.3092 3.3796 3.3796 8.2010 8.2010 8.2922 8.2922 8.9668 8.9668 9.6250 9.6250 10.0470 10.0470 k = 0.2701 0.4679 0.2795 ( 6024 PWs) bands (ev): -49.7523 -49.7523 -26.4778 -26.4778 -25.8524 -25.8524 -25.7924 -25.7924 -8.5315 -8.5315 -8.5150 -8.5150 1.5709 1.5709 1.7877 1.7877 2.5950 2.5950 2.8748 2.8748 3.3091 3.3091 3.3847 3.3847 8.1797 8.1797 8.2716 8.2716 8.9923 8.9923 9.6011 9.6011 10.0393 10.0393 k = 0.2644 0.4579 0.2795 ( 6016 PWs) bands (ev): -49.7524 -49.7524 -26.4774 -26.4774 -25.8519 -25.8519 -25.7923 -25.7923 -8.5389 -8.5389 -8.5241 -8.5241 1.5640 1.5640 1.7824 1.7824 2.6489 2.6489 2.9152 2.9152 3.3077 3.3077 3.3920 3.3920 8.1592 8.1592 8.2520 8.2520 9.0138 9.0138 9.5789 9.5789 10.0273 10.0273 k = 0.2586 0.4479 0.2795 ( 6010 PWs) bands (ev): -49.7525 -49.7525 -26.4771 -26.4771 -25.8513 -25.8513 -25.7922 -25.7922 -8.5468 -8.5468 -8.5342 -8.5342 1.5613 1.5613 1.7789 1.7789 2.7018 2.7018 2.9564 2.9564 3.3053 3.3053 3.4017 3.4017 8.1394 8.1394 8.2334 8.2334 9.0311 9.0311 9.5583 9.5583 10.0110 10.0110 k = 0.2529 0.4380 0.2795 ( 6014 PWs) bands (ev): -49.7526 -49.7526 -26.4767 -26.4767 -25.8507 -25.8507 -25.7921 -25.7921 -8.5551 -8.5551 -8.5453 -8.5453 1.5626 1.5626 1.7774 1.7774 2.7533 2.7533 2.9983 2.9983 3.3021 3.3021 3.4137 3.4137 8.1204 8.1204 8.2159 8.2159 9.0443 9.0443 9.5394 9.5394 9.9907 9.9907 k = 0.2471 0.4280 0.2795 ( 6016 PWs) bands (ev): -49.7527 -49.7527 -26.4763 -26.4763 -25.8500 -25.8500 -25.7920 -25.7920 -8.5640 -8.5640 -8.5575 -8.5575 1.5678 1.5678 1.7780 1.7780 2.8028 2.8028 3.0402 3.0402 3.2989 3.2989 3.4281 3.4281 8.1023 8.1023 8.1994 8.1994 9.0535 9.0535 9.5222 9.5222 9.9667 9.9667 k = 0.2414 0.4181 0.2795 ( 6016 PWs) bands (ev): -49.7528 -49.7528 -26.4758 -26.4758 -25.8492 -25.8492 -25.7919 -25.7919 -8.5735 -8.5735 -8.5704 -8.5704 1.5770 1.5770 1.7809 1.7809 2.8498 2.8498 3.0817 3.0817 3.2967 3.2967 3.4446 3.4446 8.0852 8.0852 8.1839 8.1839 9.0590 9.0590 9.5065 9.5065 9.9392 9.9392 k = 0.2356 0.4081 0.2795 ( 6020 PWs) bands (ev): -49.7529 -49.7529 -26.4753 -26.4753 -25.8484 -25.8484 -25.7918 -25.7918 -8.5853 -8.5853 -8.5824 -8.5824 1.5899 1.5899 1.7859 1.7859 2.8937 2.8937 3.1220 3.1220 3.2970 3.2970 3.4632 3.4632 8.0691 8.0691 8.1695 8.1695 9.0611 9.0611 9.4921 9.4921 9.9086 9.9086 k = 0.2299 0.3982 0.2795 ( 6016 PWs) bands (ev): -49.7530 -49.7530 -26.4748 -26.4748 -25.8475 -25.8475 -25.7917 -25.7917 -8.6002 -8.6002 -8.5927 -8.5927 1.6064 1.6064 1.7931 1.7931 2.9335 2.9335 3.1599 3.1599 3.3017 3.3017 3.4840 3.4840 8.0541 8.0541 8.1561 8.1561 9.0602 9.0602 9.4789 9.4789 9.8752 9.8752 k = 0.2241 0.3882 0.2795 ( 6024 PWs) bands (ev): -49.7531 -49.7531 -26.4742 -26.4742 -25.8465 -25.8465 -25.7916 -25.7916 -8.6161 -8.6161 -8.6032 -8.6032 1.6263 1.6263 1.8026 1.8026 2.9681 2.9681 3.1938 3.1938 3.3134 3.3134 3.5070 3.5070 8.0402 8.0402 8.1437 8.1437 9.0566 9.0566 9.4665 9.4665 9.8394 9.8394 k = 0.2184 0.3783 0.2795 ( 6028 PWs) bands (ev): -49.7532 -49.7532 -26.4737 -26.4737 -25.8455 -25.8455 -25.7916 -25.7916 -8.6328 -8.6328 -8.6140 -8.6140 1.6494 1.6494 1.8143 1.8143 2.9963 2.9963 3.2231 3.2231 3.3339 3.3339 3.5321 3.5321 8.0275 8.0275 8.1322 8.1322 9.0509 9.0509 9.4548 9.4548 9.8016 9.8016 k = 0.2126 0.3683 0.2795 ( 6030 PWs) bands (ev): -49.7534 -49.7534 -26.4731 -26.4731 -25.8445 -25.8445 -25.7915 -25.7915 -8.6503 -8.6503 -8.6252 -8.6252 1.6752 1.6752 1.8281 1.8281 3.0176 3.0176 3.2490 3.2490 3.3625 3.3625 3.5596 3.5596 8.0160 8.0160 8.1216 8.1216 9.0432 9.0432 9.4437 9.4437 9.7622 9.7622 k = 0.2069 0.3584 0.2795 ( 6038 PWs) bands (ev): -49.7535 -49.7535 -26.4724 -26.4724 -25.8434 -25.8434 -25.7914 -25.7914 -8.6686 -8.6686 -8.6366 -8.6366 1.7035 1.7035 1.8441 1.8441 3.0321 3.0321 3.2742 3.2742 3.3964 3.3964 3.5895 3.5895 8.0057 8.0057 8.1119 8.1119 9.0338 9.0338 9.4331 9.4331 9.7214 9.7214 k = 0.2011 0.3484 0.2795 ( 6038 PWs) bands (ev): -49.7536 -49.7536 -26.4718 -26.4718 -25.8423 -25.8423 -25.7914 -25.7914 -8.6875 -8.6875 -8.6484 -8.6484 1.7338 1.7338 1.8621 1.8621 3.0411 3.0411 3.3003 3.3003 3.4328 3.4328 3.6219 3.6219 7.9968 7.9968 8.1030 8.1030 9.0229 9.0229 9.4231 9.4231 9.6797 9.6797 k = 0.1954 0.3384 0.2795 ( 6042 PWs) bands (ev): -49.7538 -49.7538 -26.4711 -26.4711 -25.8411 -25.8411 -25.7913 -25.7913 -8.7070 -8.7070 -8.6603 -8.6603 1.7656 1.7656 1.8822 1.8822 3.0465 3.0465 3.3274 3.3274 3.4699 3.4699 3.6568 3.6568 7.9892 7.9892 8.0949 8.0949 9.0104 9.0104 9.4138 9.4138 9.6374 9.6374 k = 0.1897 0.3285 0.2795 ( 6038 PWs) bands (ev): -49.7539 -49.7539 -26.4704 -26.4704 -25.8398 -25.8398 -25.7913 -25.7913 -8.7270 -8.7270 -8.6725 -8.6725 1.7982 1.7982 1.9042 1.9042 3.0502 3.0502 3.3550 3.3550 3.5067 3.5067 3.6942 3.6942 7.9830 7.9830 8.0876 8.0876 8.9965 8.9965 9.4054 9.4054 9.5948 9.5948 k = 0.1839 0.3185 0.2795 ( 6046 PWs) bands (ev): -49.7541 -49.7541 -26.4697 -26.4697 -25.8386 -25.8386 -25.7913 -25.7913 -8.7474 -8.7474 -8.6848 -8.6848 1.8309 1.8309 1.9282 1.9282 3.0539 3.0539 3.3825 3.3825 3.5426 3.5426 3.7341 3.7341 7.9781 7.9781 8.0811 8.0811 8.9809 8.9809 9.3980 9.3980 9.5524 9.5524 k = 0.1782 0.3086 0.2795 ( 6050 PWs) bands (ev): -49.7542 -49.7542 -26.4690 -26.4690 -25.8373 -25.8373 -25.7912 -25.7912 -8.7682 -8.7682 -8.6972 -8.6972 1.8630 1.8630 1.9541 1.9541 3.0593 3.0593 3.4094 3.4094 3.5771 3.5771 3.7762 3.7762 7.9745 7.9745 8.0752 8.0752 8.9638 8.9638 9.3918 9.3918 9.5104 9.5104 k = 0.1724 0.2986 0.2795 ( 6050 PWs) bands (ev): -49.7544 -49.7544 -26.4682 -26.4682 -25.8359 -25.8359 -25.7912 -25.7912 -8.7893 -8.7893 -8.7098 -8.7098 1.8934 1.8934 1.9821 1.9821 3.0676 3.0676 3.4354 3.4354 3.6102 3.6102 3.8202 3.8202 7.9722 7.9722 8.0701 8.0701 8.9448 8.9448 9.3869 9.3869 9.4693 9.4693 k = 0.1667 0.2887 0.2795 ( 6040 PWs) bands (ev): -49.7546 -49.7546 -26.4675 -26.4675 -25.8346 -25.8346 -25.7912 -25.7912 -8.8106 -8.8106 -8.7224 -8.7224 1.9212 1.9212 2.0122 2.0122 3.0799 3.0799 3.4602 3.4602 3.6417 3.6417 3.8659 3.8659 7.9711 7.9711 8.0657 8.0657 8.9241 8.9241 9.3834 9.3834 9.4295 9.4295 k = 0.1609 0.2787 0.2795 ( 6036 PWs) bands (ev): -49.7547 -49.7547 -26.4667 -26.4667 -25.8332 -25.8332 -25.7912 -25.7912 -8.8320 -8.8320 -8.7350 -8.7350 1.9458 1.9458 2.0441 2.0441 3.0971 3.0971 3.4838 3.4838 3.6718 3.6718 3.9130 3.9130 7.9712 7.9712 8.0619 8.0619 8.9016 8.9016 9.3794 9.3794 9.3932 9.3932 k = 0.1552 0.2688 0.2795 ( 6036 PWs) bands (ev): -49.7549 -49.7549 -26.4660 -26.4660 -25.8318 -25.8318 -25.7912 -25.7912 -8.8535 -8.8535 -8.7475 -8.7475 1.9666 1.9666 2.0777 2.0777 3.1199 3.1199 3.5061 3.5061 3.7003 3.7003 3.9611 3.9611 7.9723 7.9723 8.0587 8.0587 8.8772 8.8772 9.3524 9.3524 9.3835 9.3835 k = 0.1494 0.2588 0.2795 ( 6028 PWs) bands (ev): -49.7551 -49.7551 -26.4652 -26.4652 -25.8304 -25.8304 -25.7912 -25.7912 -8.8749 -8.8749 -8.7601 -8.7601 1.9833 1.9833 2.1127 2.1127 3.1488 3.1488 3.5272 3.5272 3.7274 3.7274 4.0100 4.0100 7.9743 7.9743 8.0560 8.0560 8.8511 8.8511 9.3184 9.3184 9.3844 9.3844 k = 0.1437 0.2489 0.2795 ( 6036 PWs) bands (ev): -49.7552 -49.7552 -26.4644 -26.4644 -25.8289 -25.8289 -25.7912 -25.7912 -8.8963 -8.8963 -8.7725 -8.7725 1.9958 1.9958 2.1487 2.1487 3.1839 3.1839 3.5471 3.5471 3.7531 3.7531 4.0594 4.0594 7.9770 7.9770 8.0539 8.0539 8.8233 8.8233 9.2867 9.2867 9.3871 9.3871 k = 0.1379 0.2389 0.2795 ( 6044 PWs) bands (ev): -49.7554 -49.7554 -26.4637 -26.4637 -25.8275 -25.8275 -25.7912 -25.7912 -8.9175 -8.9175 -8.7848 -8.7848 2.0041 2.0041 2.1856 2.1856 3.2251 3.2251 3.5660 3.5660 3.7775 3.7775 4.1091 4.1091 7.9803 7.9803 8.0523 8.0523 8.7940 8.7940 9.2578 9.2578 9.3912 9.3912 k = 0.1322 0.2289 0.2795 ( 6046 PWs) bands (ev): -49.7555 -49.7555 -26.4629 -26.4629 -25.8261 -25.8261 -25.7912 -25.7912 -8.9384 -8.9384 -8.7969 -8.7969 2.0084 2.0084 2.2231 2.2231 3.2719 3.2719 3.5838 3.5838 3.8009 3.8009 4.1588 4.1588 7.9840 7.9840 8.0512 8.0512 8.7632 8.7632 9.2323 9.2323 9.3965 9.3965 k = 0.1264 0.2190 0.2795 ( 6034 PWs) bands (ev): -49.7557 -49.7557 -26.4622 -26.4622 -25.8247 -25.8247 -25.7912 -25.7912 -8.9591 -8.9591 -8.8088 -8.8088 2.0089 2.0089 2.2612 2.2612 3.3233 3.3233 3.6011 3.6011 3.8234 3.8234 4.2085 4.2085 7.9879 7.9879 8.0504 8.0504 8.7310 8.7310 9.2104 9.2104 9.4028 9.4028 k = 0.1207 0.2090 0.2795 ( 6036 PWs) bands (ev): -49.7559 -49.7559 -26.4615 -26.4615 -25.8233 -25.8233 -25.7913 -25.7913 -8.9793 -8.9793 -8.8204 -8.8204 2.0061 2.0061 2.2996 2.2996 3.3781 3.3781 3.6182 3.6182 3.8453 3.8453 4.2577 4.2577 7.9918 7.9918 8.0499 8.0499 8.6977 8.6977 9.1926 9.1926 9.4098 9.4098 k = 0.1149 0.1991 0.2795 ( 6036 PWs) bands (ev): -49.7560 -49.7560 -26.4607 -26.4607 -25.8219 -25.8219 -25.7913 -25.7913 -8.9991 -8.9991 -8.8318 -8.8318 2.0005 2.0005 2.3381 2.3381 3.4343 3.4343 3.6360 3.6360 3.8672 3.8672 4.3065 4.3065 7.9955 7.9955 8.0496 8.0496 8.6632 8.6632 9.1790 9.1790 9.4174 9.4174 k = 0.1092 0.1891 0.2795 ( 6040 PWs) bands (ev): -49.7562 -49.7562 -26.4600 -26.4600 -25.8205 -25.8205 -25.7913 -25.7913 -9.0183 -9.0183 -8.8429 -8.8429 1.9924 1.9924 2.3767 2.3767 3.4889 3.4889 3.6561 3.6561 3.8897 3.8897 4.3546 4.3546 7.9989 7.9989 8.0495 8.0495 8.6278 8.6278 9.1700 9.1700 9.4255 9.4255 k = 0.1034 0.1792 0.2795 ( 6040 PWs) bands (ev): -49.7563 -49.7563 -26.4594 -26.4594 -25.8192 -25.8192 -25.7913 -25.7913 -9.0370 -9.0370 -8.8536 -8.8536 1.9825 1.9825 2.4152 2.4152 3.5374 3.5374 3.6811 3.6811 3.9140 3.9140 4.4019 4.4019 8.0020 8.0020 8.0495 8.0495 8.5916 8.5916 9.1656 9.1656 9.4339 9.4339 k = 0.0977 0.1692 0.2795 ( 6030 PWs) bands (ev): -49.7565 -49.7565 -26.4587 -26.4587 -25.8180 -25.8180 -25.7913 -25.7913 -9.0550 -9.0550 -8.8639 -8.8639 1.9712 1.9712 2.4534 2.4534 3.5752 3.5752 3.7132 3.7132 3.9419 3.9419 4.4482 4.4482 8.0045 8.0045 8.0496 8.0496 8.5547 8.5547 9.1660 9.1660 9.4423 9.4423 k = 0.0920 0.1593 0.2795 ( 6034 PWs) bands (ev): -49.7566 -49.7566 -26.4581 -26.4581 -25.8167 -25.8167 -25.7914 -25.7914 -9.0723 -9.0723 -8.8738 -8.8738 1.9588 1.9588 2.4911 2.4911 3.6012 3.6012 3.7506 3.7506 3.9757 3.9757 4.4934 4.4934 8.0065 8.0065 8.0496 8.0496 8.5172 8.5172 9.1710 9.1710 9.4508 9.4508 k = 0.0862 0.1493 0.2795 ( 6034 PWs) bands (ev): -49.7567 -49.7567 -26.4575 -26.4575 -25.8155 -25.8155 -25.7914 -25.7914 -9.0889 -9.0889 -8.8832 -8.8832 1.9457 1.9457 2.5281 2.5281 3.6184 3.6184 3.7873 3.7873 4.0176 4.0176 4.5375 4.5375 8.0080 8.0080 8.0495 8.0495 8.4793 8.4793 9.1807 9.1807 9.4591 9.4591 k = 0.0805 0.1394 0.2795 ( 6034 PWs) bands (ev): -49.7569 -49.7569 -26.4569 -26.4569 -25.8144 -25.8144 -25.7914 -25.7914 -9.1046 -9.1046 -8.8922 -8.8922 1.9323 1.9323 2.5642 2.5642 3.6301 3.6301 3.8185 3.8185 4.0682 4.0682 4.5803 4.5803 8.0091 8.0091 8.0493 8.0493 8.4411 8.4411 9.1947 9.1947 9.4673 9.4673 k = 0.0747 0.1294 0.2795 ( 6038 PWs) bands (ev): -49.7570 -49.7570 -26.4564 -26.4564 -25.8133 -25.8133 -25.7914 -25.7914 -9.1194 -9.1194 -8.9007 -8.9007 1.9188 1.9188 2.5992 2.5992 3.6384 3.6384 3.8431 3.8431 4.1258 4.1258 4.6219 4.6219 8.0097 8.0097 8.0490 8.0490 8.4030 8.4030 9.2126 9.2126 9.4752 9.4752 k = 0.0690 0.1195 0.2795 ( 6038 PWs) bands (ev): -49.7571 -49.7571 -26.4559 -26.4559 -25.8123 -25.8123 -25.7914 -25.7914 -9.1334 -9.1334 -8.9086 -8.9086 1.9055 1.9055 2.6329 2.6329 3.6445 3.6445 3.8620 3.8620 4.1876 4.1876 4.6623 4.6623 8.0100 8.0100 8.0484 8.0484 8.3651 8.3651 9.2340 9.2340 9.4828 9.4828 k = 0.0632 0.1095 0.2795 ( 6030 PWs) bands (ev): -49.7572 -49.7572 -26.4554 -26.4554 -25.8114 -25.8114 -25.7914 -25.7914 -9.1464 -9.1464 -8.9160 -8.9160 1.8926 1.8926 2.6651 2.6651 3.6489 3.6489 3.8766 3.8766 4.2507 4.2507 4.7016 4.7016 8.0100 8.0100 8.0477 8.0477 8.3278 8.3278 9.2584 9.2584 9.4902 9.4902 k = 0.0575 0.0995 0.2795 ( 6042 PWs) bands (ev): -49.7573 -49.7573 -26.4549 -26.4549 -25.8105 -25.8105 -25.7914 -25.7914 -9.1584 -9.1584 -8.9228 -8.9228 1.8803 1.8803 2.6955 2.6955 3.6521 3.6521 3.8881 3.8881 4.3126 4.3126 4.7398 4.7398 8.0099 8.0099 8.0466 8.0466 8.2915 8.2915 9.2849 9.2849 9.4973 9.4973 k = 0.0517 0.0896 0.2795 ( 6046 PWs) bands (ev): -49.7574 -49.7574 -26.4545 -26.4545 -25.8097 -25.8097 -25.7913 -25.7913 -9.1693 -9.1693 -8.9291 -8.9291 1.8687 1.8687 2.7240 2.7240 3.6543 3.6543 3.8973 3.8973 4.3715 4.3715 4.7769 4.7769 8.0097 8.0097 8.0452 8.0452 8.2567 8.2567 9.3127 9.3127 9.5044 9.5044 k = 0.0460 0.0796 0.2795 ( 6054 PWs) bands (ev): -49.7575 -49.7575 -26.4542 -26.4542 -25.8090 -25.8090 -25.7913 -25.7913 -9.1792 -9.1792 -8.9347 -8.9347 1.8580 1.8580 2.7502 2.7502 3.6557 3.6557 3.9047 3.9047 4.4257 4.4257 4.8130 4.8130 8.0094 8.0094 8.0432 8.0432 8.2240 8.2240 9.3408 9.3408 9.5115 9.5115 k = 0.0402 0.0697 0.2795 ( 6054 PWs) bands (ev): -49.7575 -49.7575 -26.4539 -26.4539 -25.8084 -25.8084 -25.7913 -25.7913 -9.1880 -9.1880 -8.9397 -8.9397 1.8483 1.8483 2.7740 2.7740 3.6566 3.6566 3.9108 3.9108 4.4742 4.4742 4.8477 4.8477 8.0092 8.0092 8.0405 8.0405 8.1942 8.1942 9.3681 9.3681 9.5189 9.5189 k = 0.0345 0.0597 0.2795 ( 6058 PWs) bands (ev): -49.7576 -49.7576 -26.4536 -26.4536 -25.8078 -25.8078 -25.7913 -25.7913 -9.1957 -9.1957 -8.9441 -8.9441 1.8398 1.8398 2.7951 2.7951 3.6571 3.6571 3.9156 3.9156 4.5163 4.5163 4.8806 4.8806 8.0090 8.0090 8.0368 8.0368 8.1679 8.1679 9.3933 9.3933 9.5270 9.5270 k = 0.0287 0.0498 0.2795 ( 6058 PWs) bands (ev): -49.7577 -49.7577 -26.4533 -26.4533 -25.8073 -25.8073 -25.7913 -25.7913 -9.2022 -9.2022 -8.9478 -8.9478 1.8324 1.8324 2.8134 2.8134 3.6572 3.6572 3.9195 3.9195 4.5515 4.5515 4.9109 4.9109 8.0088 8.0088 8.0320 8.0320 8.1459 8.1459 9.4151 9.4151 9.5359 9.5359 k = 0.0230 0.0398 0.2795 ( 6058 PWs) bands (ev): -49.7577 -49.7577 -26.4531 -26.4531 -25.8070 -25.8070 -25.7912 -25.7912 -9.2076 -9.2076 -8.9509 -8.9509 1.8262 1.8262 2.8286 2.8286 3.6572 3.6572 3.9225 3.9225 4.5799 4.5799 4.9377 4.9377 8.0087 8.0087 8.0263 8.0263 8.1288 8.1288 9.4327 9.4327 9.5454 9.5454 k = 0.0172 0.0299 0.2795 ( 6062 PWs) bands (ev): -49.7577 -49.7577 -26.4530 -26.4530 -25.8067 -25.8067 -25.7912 -25.7912 -9.2118 -9.2118 -8.9533 -8.9533 1.8214 1.8214 2.8406 2.8406 3.6570 3.6570 3.9248 3.9248 4.6015 4.6015 4.9600 4.9600 8.0085 8.0085 8.0202 8.0202 8.1166 8.1166 9.4456 9.4456 9.5549 9.5549 k = 0.0115 0.0199 0.2795 ( 6062 PWs) bands (ev): -49.7578 -49.7578 -26.4529 -26.4529 -25.8064 -25.8064 -25.7912 -25.7912 -9.2148 -9.2148 -8.9550 -8.9550 1.8179 1.8179 2.8493 2.8493 3.6569 3.6569 3.9264 3.9264 4.6168 4.6168 4.9767 4.9767 8.0081 8.0081 8.0149 8.0149 8.1086 8.1086 9.4542 9.4542 9.5631 9.5631 k = 0.0057 0.0100 0.2795 ( 6058 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2166 -9.2166 -8.9560 -8.9560 1.8158 1.8158 2.8546 2.8546 3.6567 3.6567 3.9273 3.9273 4.6258 4.6258 4.9871 4.9871 8.0071 8.0071 8.0119 8.0119 8.1043 8.1043 9.4590 9.4590 9.5687 9.5687 k = 0.0000 0.0000 0.2795 ( 6058 PWs) bands (ev): -49.7578 -49.7578 -26.4528 -26.4528 -25.8063 -25.8063 -25.7912 -25.7912 -9.2172 -9.2172 -8.9563 -8.9563 1.8151 1.8151 2.8564 2.8564 3.6567 3.6567 3.9276 3.9276 4.6287 4.6287 4.9907 4.9907 8.0065 8.0065 8.0111 8.0111 8.1029 8.1029 9.4606 9.4606 9.5707 9.5707 k = 0.5000 0.2887 0.2795 ( 6032 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8523 -25.8523 -25.7893 -25.7893 -8.6080 -8.6080 -8.4960 -8.4960 1.0586 1.0586 1.5211 1.5211 2.9398 2.9398 3.4380 3.4380 3.5134 3.5134 4.0372 4.0372 7.1510 7.1510 8.9332 8.9332 9.1307 9.1307 9.6287 9.6287 10.1845 10.1845 k = 0.5000 0.2887 0.2683 ( 6032 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8523 -25.8523 -25.7893 -25.7893 -8.6078 -8.6078 -8.4961 -8.4961 1.0586 1.0586 1.5225 1.5225 2.9391 2.9391 3.4380 3.4380 3.5123 3.5123 4.0365 4.0365 7.1513 7.1513 8.9332 8.9332 9.1308 9.1308 9.6294 9.6294 10.1841 10.1841 k = 0.5000 0.2887 0.2571 ( 6036 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8523 -25.8523 -25.7893 -25.7893 -8.6075 -8.6075 -8.4965 -8.4965 1.0586 1.0586 1.5264 1.5264 2.9372 2.9372 3.4382 3.4382 3.5088 3.5088 4.0343 4.0343 7.1521 7.1521 8.9332 8.9332 9.1310 9.1310 9.6313 9.6313 10.1828 10.1828 k = 0.5000 0.2887 0.2460 ( 6052 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8523 -25.7893 -25.7893 -8.6070 -8.6070 -8.4970 -8.4970 1.0586 1.0586 1.5329 1.5329 2.9340 2.9340 3.4381 3.4381 3.5032 3.5032 4.0308 4.0308 7.1533 7.1533 8.9333 8.9333 9.1313 9.1313 9.6345 9.6345 10.1805 10.1805 k = 0.5000 0.2887 0.2348 ( 6050 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.6063 -8.6063 -8.4979 -8.4979 1.0588 1.0588 1.5418 1.5418 2.9296 2.9296 3.4376 3.4376 3.4961 3.4961 4.0260 4.0260 7.1551 7.1551 8.9333 8.9333 9.1318 9.1318 9.6389 9.6389 10.1772 10.1772 k = 0.5000 0.2887 0.2236 ( 6058 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.6054 -8.6054 -8.4989 -8.4989 1.0590 1.0590 1.5530 1.5530 2.9241 2.9241 3.4356 3.4356 3.4882 3.4882 4.0199 4.0199 7.1573 7.1573 8.9333 8.9333 9.1324 9.1324 9.6444 9.6444 10.1726 10.1726 k = 0.5000 0.2887 0.2124 ( 6056 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.6042 -8.6042 -8.5001 -8.5001 1.0594 1.0594 1.5665 1.5665 2.9175 2.9175 3.4306 3.4306 3.4814 3.4814 4.0126 4.0126 7.1598 7.1598 8.9334 8.9334 9.1330 9.1330 9.6511 9.6511 10.1667 10.1667 k = 0.5000 0.2887 0.2012 ( 6050 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.6029 -8.6029 -8.5016 -8.5016 1.0600 1.0600 1.5819 1.5819 2.9101 2.9101 3.4209 3.4209 3.4775 3.4775 4.0042 4.0042 7.1627 7.1627 8.9334 8.9334 9.1338 9.1338 9.6587 9.6587 10.1593 10.1593 k = 0.5000 0.2887 0.1901 ( 6058 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.6014 -8.6014 -8.5033 -8.5033 1.0608 1.0608 1.5992 1.5992 2.9020 2.9020 3.4061 3.4061 3.4769 3.4769 3.9948 3.9948 7.1658 7.1658 8.9335 8.9335 9.1346 9.1346 9.6671 9.6671 10.1505 10.1505 k = 0.5000 0.2887 0.1789 ( 6058 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5997 -8.5997 -8.5051 -8.5051 1.0619 1.0619 1.6180 1.6180 2.8934 2.8934 3.3871 3.3871 3.4789 3.4789 3.9845 3.9845 7.1691 7.1691 8.9336 8.9336 9.1354 9.1354 9.6763 9.6763 10.1403 10.1403 k = 0.5000 0.2887 0.1677 ( 6056 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5978 -8.5978 -8.5072 -8.5072 1.0632 1.0632 1.6382 1.6382 2.8845 2.8845 3.3649 3.3649 3.4827 3.4827 3.9734 3.9734 7.1725 7.1725 8.9336 8.9336 9.1363 9.1363 9.6861 9.6861 10.1288 10.1288 k = 0.5000 0.2887 0.1565 ( 6052 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5957 -8.5957 -8.5094 -8.5094 1.0648 1.0648 1.6595 1.6595 2.8754 2.8754 3.3401 3.3401 3.4878 3.4878 3.9617 3.9617 7.1760 7.1760 8.9337 8.9337 9.1372 9.1372 9.6964 9.6964 10.1164 10.1164 k = 0.5000 0.2887 0.1453 ( 6046 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5935 -8.5935 -8.5119 -8.5119 1.0666 1.0666 1.6817 1.6817 2.8666 2.8666 3.3134 3.3134 3.4938 3.4938 3.9494 3.9494 7.1796 7.1796 8.9338 8.9338 9.1380 9.1380 9.7069 9.7069 10.1034 10.1034 k = 0.5000 0.2887 0.1342 ( 6050 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5911 -8.5911 -8.5144 -8.5144 1.0687 1.0687 1.7043 1.7043 2.8581 2.8581 3.2850 3.2850 3.5006 3.5006 3.9368 3.9368 7.1830 7.1830 8.9338 8.9338 9.1389 9.1389 9.7176 9.7176 10.0899 10.0899 k = 0.5000 0.2887 0.1230 ( 6044 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5885 -8.5885 -8.5172 -8.5172 1.0709 1.0709 1.7272 1.7272 2.8504 2.8504 3.2553 3.2553 3.5079 3.5079 3.9239 3.9239 7.1863 7.1863 8.9339 8.9339 9.1397 9.1397 9.7282 9.7282 10.0764 10.0764 k = 0.5000 0.2887 0.1118 ( 6038 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5859 -8.5859 -8.5200 -8.5200 1.0732 1.0732 1.7500 1.7500 2.8437 2.8437 3.2248 3.2248 3.5158 3.5158 3.9109 3.9109 7.1895 7.1895 8.9339 8.9339 9.1405 9.1405 9.7386 9.7386 10.0631 10.0631 k = 0.5000 0.2887 0.1006 ( 6044 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5830 -8.5830 -8.5230 -8.5230 1.0756 1.0756 1.7723 1.7723 2.8383 2.8383 3.1938 3.1938 3.5240 3.5240 3.8980 3.8980 7.1925 7.1925 8.9340 8.9340 9.1412 9.1412 9.7487 9.7487 10.0503 10.0503 k = 0.5000 0.2887 0.0894 ( 6060 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5801 -8.5801 -8.5261 -8.5261 1.0780 1.0780 1.7937 1.7937 2.8344 2.8344 3.1627 3.1627 3.5323 3.5323 3.8853 3.8853 7.1952 7.1952 8.9340 8.9340 9.1418 9.1418 9.7582 9.7582 10.0384 10.0384 k = 0.5000 0.2887 0.0783 ( 6056 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5770 -8.5770 -8.5293 -8.5293 1.0804 1.0804 1.8139 1.8139 2.8322 2.8322 3.1319 3.1319 3.5407 3.5407 3.8731 3.8731 7.1977 7.1977 8.9341 8.9341 9.1424 9.1424 9.7669 9.7669 10.0274 10.0274 k = 0.5000 0.2887 0.0671 ( 6048 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5739 -8.5739 -8.5326 -8.5326 1.0826 1.0826 1.8325 1.8325 2.8319 2.8319 3.1021 3.1021 3.5488 3.5488 3.8615 3.8615 7.1999 7.1999 8.9341 8.9341 9.1429 9.1429 9.7749 9.7749 10.0176 10.0176 k = 0.5000 0.2887 0.0559 ( 6042 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5707 -8.5707 -8.5360 -8.5360 1.0846 1.0846 1.8490 1.8490 2.8335 2.8335 3.0737 3.0737 3.5565 3.5565 3.8510 3.8510 7.2018 7.2018 8.9341 8.9341 9.1433 9.1433 9.7818 9.7818 10.0091 10.0091 k = 0.5000 0.2887 0.0447 ( 6050 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5674 -8.5674 -8.5394 -8.5394 1.0863 1.0863 1.8631 1.8631 2.8368 2.8368 3.0475 3.0475 3.5634 3.5634 3.8416 3.8416 7.2034 7.2034 8.9342 8.9342 9.1437 9.1437 9.7876 9.7876 10.0020 10.0020 k = 0.5000 0.2887 0.0335 ( 6052 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5640 -8.5640 -8.5428 -8.5428 1.0877 1.0877 1.8745 1.8745 2.8415 2.8415 3.0245 3.0245 3.5692 3.5692 3.8339 3.8339 7.2046 7.2046 8.9342 8.9342 9.1439 9.1439 9.7922 9.7922 9.9964 9.9964 k = 0.5000 0.2887 0.0224 ( 6048 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5606 -8.5606 -8.5463 -8.5463 1.0888 1.0888 1.8829 1.8829 2.8466 2.8466 3.0060 3.0060 3.5737 3.5737 3.8281 3.8281 7.2055 7.2055 8.9342 8.9342 9.1441 9.1441 9.7956 9.7956 9.9924 9.9924 k = 0.5000 0.2887 0.0112 ( 6044 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5573 -8.5573 -8.5496 -8.5496 1.0894 1.0894 1.8880 1.8880 2.8508 2.8508 2.9936 2.9936 3.5765 3.5765 3.8244 3.8244 7.2060 7.2060 8.9342 8.9342 9.1443 9.1443 9.7976 9.7976 9.9900 9.9900 k = 0.5000 0.2887-0.0000 ( 6038 PWs) bands (ev): -49.7526 -49.7526 -26.4770 -26.4770 -25.8524 -25.8524 -25.7893 -25.7893 -8.5550 -8.5550 -8.5519 -8.5519 1.0896 1.0896 1.8897 1.8897 2.8524 2.8524 2.9893 2.9893 3.5775 3.5775 3.8232 3.8232 7.2062 7.2062 8.9342 8.9342 9.1443 9.1443 9.7983 9.7983 9.9892 9.9892 k = 0.3333 0.5774-0.0000 ( 6060 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4839 -8.4839 -8.4815 -8.4815 1.7678 1.7678 1.9696 1.9696 2.2374 2.2374 2.8459 2.8459 3.0343 3.0343 3.1009 3.1009 8.5919 8.5919 8.6077 8.6077 8.6524 8.6524 9.5522 9.5522 9.5589 9.5589 k = 0.3333 0.5774 0.0112 ( 6060 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4839 -8.4839 -8.4815 -8.4815 1.7684 1.7684 1.9687 1.9687 2.2361 2.2361 2.8459 2.8459 3.0355 3.0355 3.1016 3.1016 8.5912 8.5912 8.6076 8.6076 8.6517 8.6517 9.5536 9.5536 9.5603 9.5603 k = 0.3333 0.5774 0.0224 ( 6033 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4839 -8.4839 -8.4815 -8.4815 1.7703 1.7703 1.9661 1.9661 2.2322 2.2322 2.8459 2.8459 3.0391 3.0391 3.1036 3.1036 8.5888 8.5888 8.6073 8.6073 8.6497 8.6497 9.5576 9.5576 9.5645 9.5645 k = 0.3333 0.5774 0.0335 ( 6033 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4839 -8.4839 -8.4815 -8.4815 1.7734 1.7734 1.9619 1.9619 2.2260 2.2260 2.8455 2.8455 3.0450 3.0450 3.1072 3.1072 8.5850 8.5850 8.6067 8.6067 8.6465 8.6465 9.5642 9.5642 9.5714 9.5714 k = 0.3333 0.5774 0.0447 ( 6039 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4839 -8.4839 -8.4815 -8.4815 1.7778 1.7778 1.9561 1.9561 2.2175 2.2175 2.8444 2.8444 3.0531 3.0531 3.1125 3.1125 8.5799 8.5799 8.6056 8.6056 8.6425 8.6425 9.5733 9.5733 9.5809 9.5809 k = 0.3333 0.5774 0.0559 ( 6039 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4838 -8.4838 -8.4815 -8.4815 1.7833 1.7833 1.9490 1.9490 2.2073 2.2073 2.8421 2.8421 3.0632 3.0632 3.1197 3.1197 8.5734 8.5734 8.6038 8.6038 8.6380 8.6380 9.5847 9.5847 9.5927 9.5927 k = 0.3333 0.5774 0.0671 ( 6042 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4838 -8.4838 -8.4814 -8.4814 1.7900 1.7900 1.9406 1.9406 2.1955 2.1955 2.8382 2.8382 3.0751 3.0751 3.1288 3.1288 8.5659 8.5659 8.6007 8.6007 8.6336 8.6336 9.5982 9.5982 9.6068 9.6068 k = 0.3333 0.5774 0.0783 ( 6048 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4838 -8.4838 -8.4814 -8.4814 1.7977 1.7977 1.9312 1.9312 2.1827 2.1827 2.8324 2.8324 3.0884 3.0884 3.1399 3.1399 8.5574 8.5574 8.5959 8.5959 8.6300 8.6300 9.6136 9.6136 9.6228 9.6228 k = 0.3333 0.5774 0.0894 ( 6036 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4838 -8.4838 -8.4814 -8.4814 1.8064 1.8064 1.9211 1.9211 2.1691 2.1691 2.8246 2.8246 3.1030 3.1030 3.1529 3.1529 8.5482 8.5482 8.5893 8.5893 8.6275 8.6275 9.6307 9.6307 9.6406 9.6406 k = 0.3333 0.5774 0.1006 ( 6030 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4838 -8.4838 -8.4814 -8.4814 1.8160 1.8160 1.9103 1.9103 2.1551 2.1551 2.8148 2.8148 3.1186 3.1186 3.1674 3.1674 8.5384 8.5384 8.5812 8.5812 8.6260 8.6260 9.6492 9.6492 9.6597 9.6597 k = 0.3333 0.5774 0.1118 ( 6018 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4793 -25.8550 -25.8550 -25.7930 -25.7930 -8.4838 -8.4838 -8.4814 -8.4814 1.8263 1.8263 1.8992 1.8992 2.1410 2.1410 2.8030 2.8030 3.1349 3.1349 3.1833 3.1833 8.5283 8.5283 8.5720 8.5720 8.6252 8.6252 9.6689 9.6689 9.6801 9.6801 k = 0.3333 0.5774 0.1230 ( 6015 PWs) bands (ev): -49.7520 -49.7520 -26.4793 -26.4793 -25.8550 -25.8550 -25.7930 -25.7930 -8.4837 -8.4837 -8.4813 -8.4813 1.8373 1.8373 1.8879 1.8879 2.1271 2.1271 2.7895 2.7895 3.1515 3.1515 3.2001 3.2001 8.5179 8.5179 8.5622 8.5622 8.6250 8.6250 9.6894 9.6894 9.7013 9.7013 k = 0.3333 0.5774 0.1342 ( 6039 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4837 -8.4837 -8.4813 -8.4813 1.8487 1.8487 1.8766 1.8766 2.1137 2.1137 2.7746 2.7746 3.1683 3.1683 3.2174 3.2174 8.5074 8.5074 8.5520 8.5520 8.6250 8.6250 9.7104 9.7104 9.7231 9.7231 k = 0.3333 0.5774 0.1453 ( 6024 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4837 -8.4837 -8.4813 -8.4813 1.8604 1.8604 1.8655 1.8655 2.1012 2.1012 2.7584 2.7584 3.1850 3.1850 3.2349 3.2349 8.4971 8.4971 8.5417 8.5417 8.6253 8.6253 9.7318 9.7318 9.7451 9.7451 k = 0.3333 0.5774 0.1565 ( 6030 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4837 -8.4837 -8.4813 -8.4813 1.8547 1.8547 1.8720 1.8720 2.0898 2.0898 2.7415 2.7415 3.2013 3.2013 3.2522 3.2522 8.4871 8.4871 8.5316 8.5316 8.6257 8.6257 9.7531 9.7531 9.7671 9.7671 k = 0.3333 0.5774 0.1677 ( 6024 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4836 -8.4836 -8.4812 -8.4812 1.8444 1.8444 1.8832 1.8832 2.0798 2.0798 2.7239 2.7239 3.2171 3.2171 3.2690 3.2690 8.4774 8.4774 8.5218 8.5218 8.6261 8.6261 9.7740 9.7740 9.7887 9.7887 k = 0.3333 0.5774 0.1789 ( 6027 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4836 -8.4836 -8.4812 -8.4812 1.8347 1.8347 1.8938 1.8938 2.0714 2.0714 2.7062 2.7062 3.2320 3.2320 3.2851 3.2851 8.4683 8.4683 8.5126 8.5126 8.6266 8.6266 9.7943 9.7943 9.8097 9.8097 k = 0.3333 0.5774 0.1901 ( 6024 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4836 -8.4836 -8.4812 -8.4812 1.8258 1.8258 1.9032 1.9032 2.0650 2.0650 2.6887 2.6887 3.2459 3.2459 3.3002 3.3002 8.4599 8.4599 8.5039 8.5039 8.6271 8.6271 9.8135 9.8135 9.8296 9.8296 k = 0.3333 0.5774 0.2012 ( 6012 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4836 -8.4836 -8.4812 -8.4812 1.8176 1.8176 1.9112 1.9112 2.0606 2.0606 2.6718 2.6718 3.2586 3.2586 3.3140 3.3140 8.4522 8.4522 8.4960 8.4960 8.6276 8.6276 9.8315 9.8315 9.8481 9.8481 k = 0.3333 0.5774 0.2124 ( 6015 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4835 -8.4835 -8.4812 -8.4812 1.8104 1.8104 1.9176 1.9176 2.0583 2.0583 2.6559 2.6559 3.2699 3.2699 3.3263 3.3263 8.4453 8.4453 8.4890 8.4890 8.6281 8.6281 9.8478 9.8478 9.8650 9.8650 k = 0.3333 0.5774 0.2236 ( 6021 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4835 -8.4835 -8.4812 -8.4812 1.8042 1.8042 1.9223 1.9223 2.0579 2.0579 2.6413 2.6413 3.2798 3.2798 3.3371 3.3371 8.4393 8.4393 8.4829 8.4829 8.6285 8.6285 9.8622 9.8622 9.8799 9.8799 k = 0.3333 0.5774 0.2348 ( 6024 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4835 -8.4835 -8.4811 -8.4811 1.7990 1.7990 1.9254 1.9254 2.0588 2.0588 2.6287 2.6287 3.2880 3.2880 3.3461 3.3461 8.4344 8.4344 8.4778 8.4778 8.6288 8.6288 9.8744 9.8744 9.8925 9.8925 k = 0.3333 0.5774 0.2460 ( 6021 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4835 -8.4835 -8.4811 -8.4811 1.7949 1.7949 1.9273 1.9273 2.0605 2.0605 2.6183 2.6183 3.2945 3.2945 3.3532 3.3532 8.4304 8.4304 8.4737 8.4737 8.6291 8.6291 9.8842 9.8842 9.9026 9.9026 k = 0.3333 0.5774 0.2571 ( 6027 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4835 -8.4835 -8.4811 -8.4811 1.7920 1.7920 1.9283 1.9283 2.0623 2.0623 2.6105 2.6105 3.2992 3.2992 3.3583 3.3583 8.4276 8.4276 8.4708 8.4708 8.6293 8.6293 9.8913 9.8913 9.9100 9.9100 k = 0.3333 0.5774 0.2683 ( 6036 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4835 -8.4835 -8.4811 -8.4811 1.7902 1.7902 1.9288 1.9288 2.0637 2.0637 2.6058 2.6058 3.3020 3.3020 3.3614 3.3614 8.4259 8.4259 8.4691 8.4691 8.6294 8.6294 9.8957 9.8957 9.9145 9.9145 k = 0.3333 0.5774 0.2795 ( 6018 PWs) bands (ev): -49.7520 -49.7520 -26.4794 -26.4794 -25.8550 -25.8550 -25.7930 -25.7930 -8.4835 -8.4835 -8.4811 -8.4811 1.7896 1.7896 1.9289 1.9289 2.0642 2.0642 2.6041 2.6041 3.3030 3.3030 3.3625 3.3625 8.4253 8.4253 8.4685 8.4685 8.6294 8.6294 9.8971 9.8971 9.9160 9.9160 Writing output data file TiBr2.save init_run : 0.17s CPU 0.81s WALL ( 1 calls) electrons : 98.78s CPU 102.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.25s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 98.78s CPU 102.97s 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 : 0.02s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 358 calls) cegterg : 92.32s CPU 93.71s WALL ( 359 calls) Called by sum_band: Called by *egterg: h_psi : 56.85s CPU 58.99s WALL ( 6529 calls) s_psi : 1.00s CPU 1.04s WALL ( 6529 calls) g_psi : 0.27s CPU 0.28s WALL ( 5812 calls) cdiaghg : 27.06s CPU 25.84s WALL ( 6170 calls) cegterg:over : 4.45s CPU 4.47s WALL ( 5812 calls) cegterg:upda : 3.32s CPU 3.78s WALL ( 5812 calls) cegterg:last : 2.56s CPU 2.83s WALL ( 1447 calls) cdiaghg:chol : 1.44s CPU 1.48s WALL ( 6170 calls) cdiaghg:inve : 0.79s CPU 0.73s WALL ( 6170 calls) cdiaghg:para : 1.46s CPU 1.49s WALL ( 12340 calls) Called by h_psi: h_psi:vloc : 52.25s CPU 54.41s WALL ( 6529 calls) h_psi:vnl : 4.34s CPU 4.35s WALL ( 6529 calls) add_vuspsi : 2.11s CPU 2.02s WALL ( 6529 calls) General routines calbec : 2.21s CPU 2.31s WALL ( 6529 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 49.60s CPU 51.59s WALL ( 618940 calls) davcio : 0.16s CPU 0.25s WALL ( 716 calls) Parallel routines fft_scatter : 18.95s CPU 19.64s WALL ( 618955 calls) PWSCF : 1m52.72s CPU 2m37.36s WALL This run was terminated on: 15:52:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=