Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:22: 7 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: ./MgxBePx2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 79 29 8 5837 1314 202 Max 81 30 9 5842 1338 209 Sum 2869 1069 313 210183 47623 7393 bravais-lattice index = 14 lattice parameter (alat) = 6.8975 a.u. unit-cell volume = 484.4432 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.897500 celldm(2)= 1.000000 celldm(3)= 1.704658 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 1.704658 ) 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 0.586628 ) PseudoPot. # 1 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) Be 4.00 9.01220 Be( 1.00) P 5.00 30.97380 P( 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= 361 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0027701 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0027701 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0027701 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0027701 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0027701 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0027701 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0027701 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0027701 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0027701 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0027701 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0027701 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0027701 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0027701 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0027701 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0027701 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0027701 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0027701 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0027701 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0027701 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0027701 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0027701 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0027701 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0027701 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0027701 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0027701 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0027701 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0027701 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0027701 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0027701 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0027701 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0027701 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0027701 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0027701 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0027701 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0027701 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0027701 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0027701 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0027701 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0027701 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0027701 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0027701 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0027701 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0027701 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0027701 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0027701 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0027701 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0027701 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0027701 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0027701 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027701 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027701 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0027701 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0027701 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0027701 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0027701 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0027701 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0027701 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0027701 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0027701 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0027701 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0027701 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0027701 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0027701 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0027701 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0027701 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0027701 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0027701 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0027701 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0027701 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0027701 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0027701 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0027701 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0027701 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0027701 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0027701 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0027701 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0027701 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0027701 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0027701 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027701 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027701 k( 83) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0027701 k( 84) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0027701 k( 85) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0027701 k( 86) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0027701 k( 87) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0027701 k( 88) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0027701 k( 89) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0027701 k( 90) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0027701 k( 91) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0027701 k( 92) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0027701 k( 93) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0027701 k( 94) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0027701 k( 95) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0027701 k( 96) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0027701 k( 97) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0027701 k( 98) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0027701 k( 99) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0027701 k( 100) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0027701 k( 101) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0027701 k( 102) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0027701 k( 103) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0027701 k( 104) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0027701 k( 105) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0027701 k( 106) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0027701 k( 107) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0027701 k( 108) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0027701 k( 109) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0027701 k( 110) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0027701 k( 111) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027701 k( 112) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0027701 k( 113) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0027701 k( 114) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0027701 k( 115) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0027701 k( 116) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0027701 k( 117) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0027701 k( 118) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0027701 k( 119) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0027701 k( 120) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0027701 k( 121) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0027701 k( 122) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0027701 k( 123) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0027701 k( 124) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0027701 k( 125) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0027701 k( 126) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0027701 k( 127) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0027701 k( 128) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0027701 k( 129) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0027701 k( 130) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0027701 k( 131) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0027701 k( 132) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0027701 k( 133) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0027701 k( 134) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0027701 k( 135) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0027701 k( 136) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0027701 k( 137) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0027701 k( 138) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0027701 k( 139) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0027701 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 142) = ( 0.0000000 0.0000000 0.0112813), wk = 0.0027701 k( 143) = ( 0.0000000 0.0000000 0.0225626), wk = 0.0027701 k( 144) = ( 0.0000000 0.0000000 0.0338439), wk = 0.0027701 k( 145) = ( 0.0000000 0.0000000 0.0451252), wk = 0.0027701 k( 146) = ( 0.0000000 0.0000000 0.0564065), wk = 0.0027701 k( 147) = ( 0.0000000 0.0000000 0.0676879), wk = 0.0027701 k( 148) = ( 0.0000000 0.0000000 0.0789692), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.0902505), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.1015318), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.1128131), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.1240944), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.1353757), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.1466570), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.1579383), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.1692196), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.1805010), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.1917823), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.2030636), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.2143449), wk = 0.0027701 k( 161) = ( 0.0000000 0.0000000 0.2256262), wk = 0.0027701 k( 162) = ( 0.0000000 0.0000000 0.2369075), wk = 0.0027701 k( 163) = ( 0.0000000 0.0000000 0.2481888), wk = 0.0027701 k( 164) = ( 0.0000000 0.0000000 0.2594701), wk = 0.0027701 k( 165) = ( 0.0000000 0.0000000 0.2707514), wk = 0.0027701 k( 166) = ( 0.0000000 0.0000000 0.2820327), wk = 0.0027701 k( 167) = ( 0.0000000 0.0000000 0.2933140), wk = 0.0027701 k( 168) = ( 0.0000000 0.0000000 0.2933140), wk = 0.0027701 k( 169) = ( 0.0100000 0.0057735 0.2933140), wk = 0.0027701 k( 170) = ( 0.0200000 0.0115470 0.2933140), wk = 0.0027701 k( 171) = ( 0.0300000 0.0173205 0.2933140), wk = 0.0027701 k( 172) = ( 0.0400000 0.0230940 0.2933140), wk = 0.0027701 k( 173) = ( 0.0500000 0.0288675 0.2933140), wk = 0.0027701 k( 174) = ( 0.0600000 0.0346410 0.2933140), wk = 0.0027701 k( 175) = ( 0.0700000 0.0404145 0.2933140), wk = 0.0027701 k( 176) = ( 0.0800000 0.0461880 0.2933140), wk = 0.0027701 k( 177) = ( 0.0900000 0.0519615 0.2933140), wk = 0.0027701 k( 178) = ( 0.1000000 0.0577350 0.2933140), wk = 0.0027701 k( 179) = ( 0.1100000 0.0635085 0.2933140), wk = 0.0027701 k( 180) = ( 0.1200000 0.0692820 0.2933140), wk = 0.0027701 k( 181) = ( 0.1300000 0.0750555 0.2933140), wk = 0.0027701 k( 182) = ( 0.1400000 0.0808290 0.2933140), wk = 0.0027701 k( 183) = ( 0.1500000 0.0866025 0.2933140), wk = 0.0027701 k( 184) = ( 0.1600000 0.0923760 0.2933140), wk = 0.0027701 k( 185) = ( 0.1700000 0.0981495 0.2933140), wk = 0.0027701 k( 186) = ( 0.1800000 0.1039230 0.2933140), wk = 0.0027701 k( 187) = ( 0.1900000 0.1096966 0.2933140), wk = 0.0027701 k( 188) = ( 0.2000000 0.1154701 0.2933140), wk = 0.0027701 k( 189) = ( 0.2100000 0.1212436 0.2933140), wk = 0.0027701 k( 190) = ( 0.2200000 0.1270171 0.2933140), wk = 0.0027701 k( 191) = ( 0.2300000 0.1327906 0.2933140), wk = 0.0027701 k( 192) = ( 0.2400000 0.1385641 0.2933140), wk = 0.0027701 k( 193) = ( 0.2500000 0.1443376 0.2933140), wk = 0.0027701 k( 194) = ( 0.2600000 0.1501111 0.2933140), wk = 0.0027701 k( 195) = ( 0.2700000 0.1558846 0.2933140), wk = 0.0027701 k( 196) = ( 0.2800000 0.1616581 0.2933140), wk = 0.0027701 k( 197) = ( 0.2900000 0.1674316 0.2933140), wk = 0.0027701 k( 198) = ( 0.3000000 0.1732051 0.2933140), wk = 0.0027701 k( 199) = ( 0.3100000 0.1789786 0.2933140), wk = 0.0027701 k( 200) = ( 0.3200000 0.1847521 0.2933140), wk = 0.0027701 k( 201) = ( 0.3300000 0.1905256 0.2933140), wk = 0.0027701 k( 202) = ( 0.3400000 0.1962991 0.2933140), wk = 0.0027701 k( 203) = ( 0.3500000 0.2020726 0.2933140), wk = 0.0027701 k( 204) = ( 0.3600000 0.2078461 0.2933140), wk = 0.0027701 k( 205) = ( 0.3700000 0.2136196 0.2933140), wk = 0.0027701 k( 206) = ( 0.3800000 0.2193931 0.2933140), wk = 0.0027701 k( 207) = ( 0.3900000 0.2251666 0.2933140), wk = 0.0027701 k( 208) = ( 0.4000000 0.2309401 0.2933140), wk = 0.0027701 k( 209) = ( 0.4100000 0.2367136 0.2933140), wk = 0.0027701 k( 210) = ( 0.4200000 0.2424871 0.2933140), wk = 0.0027701 k( 211) = ( 0.4300000 0.2482606 0.2933140), wk = 0.0027701 k( 212) = ( 0.4400000 0.2540341 0.2933140), wk = 0.0027701 k( 213) = ( 0.4500000 0.2598076 0.2933140), wk = 0.0027701 k( 214) = ( 0.4600000 0.2655811 0.2933140), wk = 0.0027701 k( 215) = ( 0.4700000 0.2713546 0.2933140), wk = 0.0027701 k( 216) = ( 0.4800000 0.2771281 0.2933140), wk = 0.0027701 k( 217) = ( 0.4900000 0.2829016 0.2933140), wk = 0.0027701 k( 218) = ( 0.5000000 0.2886751 0.2933140), wk = 0.0027701 k( 219) = ( 0.5000000 0.2886751 0.2933140), wk = 0.0027701 k( 220) = ( 0.4942529 0.2986294 0.2933140), wk = 0.0027701 k( 221) = ( 0.4885058 0.3085838 0.2933140), wk = 0.0027701 k( 222) = ( 0.4827586 0.3185381 0.2933140), wk = 0.0027701 k( 223) = ( 0.4770115 0.3284924 0.2933140), wk = 0.0027701 k( 224) = ( 0.4712644 0.3384467 0.2933140), wk = 0.0027701 k( 225) = ( 0.4655172 0.3484010 0.2933140), wk = 0.0027701 k( 226) = ( 0.4597701 0.3583553 0.2933140), wk = 0.0027701 k( 227) = ( 0.4540230 0.3683097 0.2933140), wk = 0.0027701 k( 228) = ( 0.4482759 0.3782640 0.2933140), wk = 0.0027701 k( 229) = ( 0.4425287 0.3882183 0.2933140), wk = 0.0027701 k( 230) = ( 0.4367816 0.3981726 0.2933140), wk = 0.0027701 k( 231) = ( 0.4310345 0.4081269 0.2933140), wk = 0.0027701 k( 232) = ( 0.4252874 0.4180812 0.2933140), wk = 0.0027701 k( 233) = ( 0.4195402 0.4280355 0.2933140), wk = 0.0027701 k( 234) = ( 0.4137931 0.4379899 0.2933140), wk = 0.0027701 k( 235) = ( 0.4080460 0.4479442 0.2933140), wk = 0.0027701 k( 236) = ( 0.4022988 0.4578985 0.2933140), wk = 0.0027701 k( 237) = ( 0.3965517 0.4678528 0.2933140), wk = 0.0027701 k( 238) = ( 0.3908046 0.4778071 0.2933140), wk = 0.0027701 k( 239) = ( 0.3850575 0.4877614 0.2933140), wk = 0.0027701 k( 240) = ( 0.3793103 0.4977157 0.2933140), wk = 0.0027701 k( 241) = ( 0.3735632 0.5076701 0.2933140), wk = 0.0027701 k( 242) = ( 0.3678161 0.5176244 0.2933140), wk = 0.0027701 k( 243) = ( 0.3620690 0.5275787 0.2933140), wk = 0.0027701 k( 244) = ( 0.3563218 0.5375330 0.2933140), wk = 0.0027701 k( 245) = ( 0.3505747 0.5474873 0.2933140), wk = 0.0027701 k( 246) = ( 0.3448276 0.5574416 0.2933140), wk = 0.0027701 k( 247) = ( 0.3390805 0.5673960 0.2933140), wk = 0.0027701 k( 248) = ( 0.3333333 0.5773503 0.2933140), wk = 0.0027701 k( 249) = ( 0.3333333 0.5773503 0.2933140), wk = 0.0027701 k( 250) = ( 0.3275862 0.5673960 0.2933140), wk = 0.0027701 k( 251) = ( 0.3218391 0.5574416 0.2933140), wk = 0.0027701 k( 252) = ( 0.3160920 0.5474873 0.2933140), wk = 0.0027701 k( 253) = ( 0.3103448 0.5375330 0.2933140), wk = 0.0027701 k( 254) = ( 0.3045977 0.5275787 0.2933140), wk = 0.0027701 k( 255) = ( 0.2988506 0.5176244 0.2933140), wk = 0.0027701 k( 256) = ( 0.2931034 0.5076701 0.2933140), wk = 0.0027701 k( 257) = ( 0.2873563 0.4977157 0.2933140), wk = 0.0027701 k( 258) = ( 0.2816092 0.4877614 0.2933140), wk = 0.0027701 k( 259) = ( 0.2758621 0.4778071 0.2933140), wk = 0.0027701 k( 260) = ( 0.2701149 0.4678528 0.2933140), wk = 0.0027701 k( 261) = ( 0.2643678 0.4578985 0.2933140), wk = 0.0027701 k( 262) = ( 0.2586207 0.4479442 0.2933140), wk = 0.0027701 k( 263) = ( 0.2528736 0.4379899 0.2933140), wk = 0.0027701 k( 264) = ( 0.2471264 0.4280355 0.2933140), wk = 0.0027701 k( 265) = ( 0.2413793 0.4180812 0.2933140), wk = 0.0027701 k( 266) = ( 0.2356322 0.4081269 0.2933140), wk = 0.0027701 k( 267) = ( 0.2298851 0.3981726 0.2933140), wk = 0.0027701 k( 268) = ( 0.2241379 0.3882183 0.2933140), wk = 0.0027701 k( 269) = ( 0.2183908 0.3782640 0.2933140), wk = 0.0027701 k( 270) = ( 0.2126437 0.3683097 0.2933140), wk = 0.0027701 k( 271) = ( 0.2068966 0.3583553 0.2933140), wk = 0.0027701 k( 272) = ( 0.2011494 0.3484010 0.2933140), wk = 0.0027701 k( 273) = ( 0.1954023 0.3384467 0.2933140), wk = 0.0027701 k( 274) = ( 0.1896552 0.3284924 0.2933140), wk = 0.0027701 k( 275) = ( 0.1839080 0.3185381 0.2933140), wk = 0.0027701 k( 276) = ( 0.1781609 0.3085838 0.2933140), wk = 0.0027701 k( 277) = ( 0.1724138 0.2986294 0.2933140), wk = 0.0027701 k( 278) = ( 0.1666667 0.2886751 0.2933140), wk = 0.0027701 k( 279) = ( 0.1609195 0.2787208 0.2933140), wk = 0.0027701 k( 280) = ( 0.1551724 0.2687665 0.2933140), wk = 0.0027701 k( 281) = ( 0.1494253 0.2588122 0.2933140), wk = 0.0027701 k( 282) = ( 0.1436782 0.2488579 0.2933140), wk = 0.0027701 k( 283) = ( 0.1379310 0.2389036 0.2933140), wk = 0.0027701 k( 284) = ( 0.1321839 0.2289492 0.2933140), wk = 0.0027701 k( 285) = ( 0.1264368 0.2189949 0.2933140), wk = 0.0027701 k( 286) = ( 0.1206897 0.2090406 0.2933140), wk = 0.0027701 k( 287) = ( 0.1149425 0.1990863 0.2933140), wk = 0.0027701 k( 288) = ( 0.1091954 0.1891320 0.2933140), wk = 0.0027701 k( 289) = ( 0.1034483 0.1791777 0.2933140), wk = 0.0027701 k( 290) = ( 0.0977012 0.1692234 0.2933140), wk = 0.0027701 k( 291) = ( 0.0919540 0.1592690 0.2933140), wk = 0.0027701 k( 292) = ( 0.0862069 0.1493147 0.2933140), wk = 0.0027701 k( 293) = ( 0.0804598 0.1393604 0.2933140), wk = 0.0027701 k( 294) = ( 0.0747126 0.1294061 0.2933140), wk = 0.0027701 k( 295) = ( 0.0689655 0.1194518 0.2933140), wk = 0.0027701 k( 296) = ( 0.0632184 0.1094975 0.2933140), wk = 0.0027701 k( 297) = ( 0.0574713 0.0995431 0.2933140), wk = 0.0027701 k( 298) = ( 0.0517241 0.0895888 0.2933140), wk = 0.0027701 k( 299) = ( 0.0459770 0.0796345 0.2933140), wk = 0.0027701 k( 300) = ( 0.0402299 0.0696802 0.2933140), wk = 0.0027701 k( 301) = ( 0.0344828 0.0597259 0.2933140), wk = 0.0027701 k( 302) = ( 0.0287356 0.0497716 0.2933140), wk = 0.0027701 k( 303) = ( 0.0229885 0.0398173 0.2933140), wk = 0.0027701 k( 304) = ( 0.0172414 0.0298629 0.2933140), wk = 0.0027701 k( 305) = ( 0.0114942 0.0199086 0.2933140), wk = 0.0027701 k( 306) = ( 0.0057471 0.0099543 0.2933140), wk = 0.0027701 k( 307) = ( 0.0000000 0.0000000 0.2933140), wk = 0.0027701 k( 308) = ( 0.5000000 0.2886751 0.2933140), wk = 0.0027701 k( 309) = ( 0.5000000 0.2886751 0.2820327), wk = 0.0027701 k( 310) = ( 0.5000000 0.2886751 0.2707514), wk = 0.0027701 k( 311) = ( 0.5000000 0.2886751 0.2594701), wk = 0.0027701 k( 312) = ( 0.5000000 0.2886751 0.2481888), wk = 0.0027701 k( 313) = ( 0.5000000 0.2886751 0.2369075), wk = 0.0027701 k( 314) = ( 0.5000000 0.2886751 0.2256262), wk = 0.0027701 k( 315) = ( 0.5000000 0.2886751 0.2143449), wk = 0.0027701 k( 316) = ( 0.5000000 0.2886751 0.2030636), wk = 0.0027701 k( 317) = ( 0.5000000 0.2886751 0.1917823), wk = 0.0027701 k( 318) = ( 0.5000000 0.2886751 0.1805010), wk = 0.0027701 k( 319) = ( 0.5000000 0.2886751 0.1692196), wk = 0.0027701 k( 320) = ( 0.5000000 0.2886751 0.1579383), wk = 0.0027701 k( 321) = ( 0.5000000 0.2886751 0.1466570), wk = 0.0027701 k( 322) = ( 0.5000000 0.2886751 0.1353757), wk = 0.0027701 k( 323) = ( 0.5000000 0.2886751 0.1240944), wk = 0.0027701 k( 324) = ( 0.5000000 0.2886751 0.1128131), wk = 0.0027701 k( 325) = ( 0.5000000 0.2886751 0.1015318), wk = 0.0027701 k( 326) = ( 0.5000000 0.2886751 0.0902505), wk = 0.0027701 k( 327) = ( 0.5000000 0.2886751 0.0789692), wk = 0.0027701 k( 328) = ( 0.5000000 0.2886751 0.0676879), wk = 0.0027701 k( 329) = ( 0.5000000 0.2886751 0.0564065), wk = 0.0027701 k( 330) = ( 0.5000000 0.2886751 0.0451252), wk = 0.0027701 k( 331) = ( 0.5000000 0.2886751 0.0338439), wk = 0.0027701 k( 332) = ( 0.5000000 0.2886751 0.0225626), wk = 0.0027701 k( 333) = ( 0.5000000 0.2886751 0.0112813), wk = 0.0027701 k( 334) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027701 k( 335) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027701 k( 336) = ( 0.3333333 0.5773503 0.0112813), wk = 0.0027701 k( 337) = ( 0.3333333 0.5773503 0.0225626), wk = 0.0027701 k( 338) = ( 0.3333333 0.5773503 0.0338439), wk = 0.0027701 k( 339) = ( 0.3333333 0.5773503 0.0451252), wk = 0.0027701 k( 340) = ( 0.3333333 0.5773503 0.0564065), wk = 0.0027701 k( 341) = ( 0.3333333 0.5773503 0.0676879), wk = 0.0027701 k( 342) = ( 0.3333333 0.5773503 0.0789692), wk = 0.0027701 k( 343) = ( 0.3333333 0.5773503 0.0902505), wk = 0.0027701 k( 344) = ( 0.3333333 0.5773503 0.1015318), wk = 0.0027701 k( 345) = ( 0.3333333 0.5773503 0.1128131), wk = 0.0027701 k( 346) = ( 0.3333333 0.5773503 0.1240944), wk = 0.0027701 k( 347) = ( 0.3333333 0.5773503 0.1353757), wk = 0.0027701 k( 348) = ( 0.3333333 0.5773503 0.1466570), wk = 0.0027701 k( 349) = ( 0.3333333 0.5773503 0.1579383), wk = 0.0027701 k( 350) = ( 0.3333333 0.5773503 0.1692196), wk = 0.0027701 k( 351) = ( 0.3333333 0.5773503 0.1805010), wk = 0.0027701 k( 352) = ( 0.3333333 0.5773503 0.1917823), wk = 0.0027701 k( 353) = ( 0.3333333 0.5773503 0.2030636), wk = 0.0027701 k( 354) = ( 0.3333333 0.5773503 0.2143449), wk = 0.0027701 k( 355) = ( 0.3333333 0.5773503 0.2256262), wk = 0.0027701 k( 356) = ( 0.3333333 0.5773503 0.2369075), wk = 0.0027701 k( 357) = ( 0.3333333 0.5773503 0.2481888), wk = 0.0027701 k( 358) = ( 0.3333333 0.5773503 0.2594701), wk = 0.0027701 k( 359) = ( 0.3333333 0.5773503 0.2707514), wk = 0.0027701 k( 360) = ( 0.3333333 0.5773503 0.2820327), wk = 0.0027701 k( 361) = ( 0.3333333 0.5773503 0.2933140), wk = 0.0027701 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0100000 0.0000000 0.0000000), wk = 0.0027701 k( 3) = ( 0.0200000 0.0000000 0.0000000), wk = 0.0027701 k( 4) = ( 0.0300000 -0.0000000 0.0000000), wk = 0.0027701 k( 5) = ( 0.0400000 0.0000000 0.0000000), wk = 0.0027701 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0027701 k( 7) = ( 0.0600000 -0.0000000 0.0000000), wk = 0.0027701 k( 8) = ( 0.0700000 -0.0000000 0.0000000), wk = 0.0027701 k( 9) = ( 0.0800000 0.0000000 0.0000000), wk = 0.0027701 k( 10) = ( 0.0900000 -0.0000000 0.0000000), wk = 0.0027701 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0027701 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0027701 k( 13) = ( 0.1200000 -0.0000000 0.0000000), wk = 0.0027701 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0027701 k( 15) = ( 0.1400000 -0.0000000 0.0000000), wk = 0.0027701 k( 16) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0027701 k( 17) = ( 0.1600000 0.0000000 0.0000000), wk = 0.0027701 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0027701 k( 19) = ( 0.1800000 -0.0000000 0.0000000), wk = 0.0027701 k( 20) = ( 0.1900000 -0.0000000 0.0000000), wk = 0.0027701 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0027701 k( 22) = ( 0.2100000 -0.0000000 0.0000000), wk = 0.0027701 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0027701 k( 24) = ( 0.2300000 -0.0000000 0.0000000), wk = 0.0027701 k( 25) = ( 0.2400000 -0.0000000 0.0000000), wk = 0.0027701 k( 26) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0027701 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0027701 k( 28) = ( 0.2700000 0.0000000 -0.0000000), wk = 0.0027701 k( 29) = ( 0.2800000 -0.0000000 0.0000000), wk = 0.0027701 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0027701 k( 31) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0027701 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0027701 k( 33) = ( 0.3200000 0.0000000 0.0000000), wk = 0.0027701 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0027701 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0027701 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0027701 k( 37) = ( 0.3600000 -0.0000000 0.0000000), wk = 0.0027701 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0027701 k( 39) = ( 0.3800000 -0.0000000 0.0000000), wk = 0.0027701 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0027701 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0027701 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0027701 k( 43) = ( 0.4200000 -0.0000000 0.0000000), wk = 0.0027701 k( 44) = ( 0.4300000 -0.0000000 0.0000000), wk = 0.0027701 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0027701 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0027701 k( 47) = ( 0.4600000 -0.0000000 0.0000000), wk = 0.0027701 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0027701 k( 49) = ( 0.4800000 -0.0000000 0.0000000), wk = 0.0027701 k( 50) = ( 0.4900000 -0.0000000 0.0000000), wk = 0.0027701 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027701 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027701 k( 53) = ( 0.4942529 0.0114942 -0.0000000), wk = 0.0027701 k( 54) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0027701 k( 55) = ( 0.4827586 0.0344828 -0.0000000), wk = 0.0027701 k( 56) = ( 0.4770115 0.0459770 0.0000000), wk = 0.0027701 k( 57) = ( 0.4712644 0.0574713 -0.0000000), wk = 0.0027701 k( 58) = ( 0.4655172 0.0689655 0.0000000), wk = 0.0027701 k( 59) = ( 0.4597701 0.0804598 -0.0000000), wk = 0.0027701 k( 60) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0027701 k( 61) = ( 0.4482759 0.1034483 -0.0000000), wk = 0.0027701 k( 62) = ( 0.4425287 0.1149425 -0.0000000), wk = 0.0027701 k( 63) = ( 0.4367816 0.1264368 -0.0000000), wk = 0.0027701 k( 64) = ( 0.4310345 0.1379310 -0.0000000), wk = 0.0027701 k( 65) = ( 0.4252874 0.1494253 0.0000000), wk = 0.0027701 k( 66) = ( 0.4195402 0.1609195 -0.0000000), wk = 0.0027701 k( 67) = ( 0.4137931 0.1724138 0.0000000), wk = 0.0027701 k( 68) = ( 0.4080460 0.1839080 -0.0000000), wk = 0.0027701 k( 69) = ( 0.4022988 0.1954023 -0.0000000), wk = 0.0027701 k( 70) = ( 0.3965517 0.2068965 0.0000000), wk = 0.0027701 k( 71) = ( 0.3908046 0.2183908 -0.0000000), wk = 0.0027701 k( 72) = ( 0.3850575 0.2298851 -0.0000000), wk = 0.0027701 k( 73) = ( 0.3793103 0.2413793 -0.0000000), wk = 0.0027701 k( 74) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0027701 k( 75) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0027701 k( 76) = ( 0.3620690 0.2758621 -0.0000000), wk = 0.0027701 k( 77) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0027701 k( 78) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0027701 k( 79) = ( 0.3448276 0.3103448 0.0000000), wk = 0.0027701 k( 80) = ( 0.3390805 0.3218391 -0.0000000), wk = 0.0027701 k( 81) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027701 k( 82) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027701 k( 83) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0027701 k( 84) = ( 0.3218391 0.3218391 -0.0000000), wk = 0.0027701 k( 85) = ( 0.3160920 0.3160920 -0.0000000), wk = 0.0027701 k( 86) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0027701 k( 87) = ( 0.3045977 0.3045977 0.0000000), wk = 0.0027701 k( 88) = ( 0.2988506 0.2988506 -0.0000000), wk = 0.0027701 k( 89) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0027701 k( 90) = ( 0.2873563 0.2873563 -0.0000000), wk = 0.0027701 k( 91) = ( 0.2816092 0.2816092 -0.0000000), wk = 0.0027701 k( 92) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0027701 k( 93) = ( 0.2701149 0.2701149 -0.0000000), wk = 0.0027701 k( 94) = ( 0.2643678 0.2643678 -0.0000000), wk = 0.0027701 k( 95) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0027701 k( 96) = ( 0.2528736 0.2528736 -0.0000000), wk = 0.0027701 k( 97) = ( 0.2471264 0.2471264 0.0000000), wk = 0.0027701 k( 98) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0027701 k( 99) = ( 0.2356322 0.2356322 -0.0000000), wk = 0.0027701 k( 100) = ( 0.2298851 0.2298851 -0.0000000), wk = 0.0027701 k( 101) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0027701 k( 102) = ( 0.2183908 0.2183908 -0.0000000), wk = 0.0027701 k( 103) = ( 0.2126437 0.2126437 -0.0000000), wk = 0.0027701 k( 104) = ( 0.2068966 0.2068965 0.0000000), wk = 0.0027701 k( 105) = ( 0.2011494 0.2011494 -0.0000000), wk = 0.0027701 k( 106) = ( 0.1954023 0.1954023 -0.0000000), wk = 0.0027701 k( 107) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0027701 k( 108) = ( 0.1839080 0.1839080 -0.0000000), wk = 0.0027701 k( 109) = ( 0.1781609 0.1781609 -0.0000000), wk = 0.0027701 k( 110) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0027701 k( 111) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027701 k( 112) = ( 0.1609195 0.1609195 -0.0000000), wk = 0.0027701 k( 113) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0027701 k( 114) = ( 0.1494253 0.1494253 -0.0000000), wk = 0.0027701 k( 115) = ( 0.1436782 0.1436782 -0.0000000), wk = 0.0027701 k( 116) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0027701 k( 117) = ( 0.1321839 0.1321839 -0.0000000), wk = 0.0027701 k( 118) = ( 0.1264368 0.1264368 -0.0000000), wk = 0.0027701 k( 119) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0027701 k( 120) = ( 0.1149425 0.1149425 -0.0000000), wk = 0.0027701 k( 121) = ( 0.1091954 0.1091954 -0.0000000), wk = 0.0027701 k( 122) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0027701 k( 123) = ( 0.0977012 0.0977012 -0.0000000), wk = 0.0027701 k( 124) = ( 0.0919540 0.0919540 -0.0000000), wk = 0.0027701 k( 125) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0027701 k( 126) = ( 0.0804598 0.0804598 -0.0000000), wk = 0.0027701 k( 127) = ( 0.0747126 0.0747126 0.0000000), wk = 0.0027701 k( 128) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0027701 k( 129) = ( 0.0632184 0.0632184 -0.0000000), wk = 0.0027701 k( 130) = ( 0.0574713 0.0574713 0.0000000), wk = 0.0027701 k( 131) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0027701 k( 132) = ( 0.0459770 0.0459770 -0.0000000), wk = 0.0027701 k( 133) = ( 0.0402299 0.0402299 0.0000000), wk = 0.0027701 k( 134) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0027701 k( 135) = ( 0.0287356 0.0287356 0.0000000), wk = 0.0027701 k( 136) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0027701 k( 137) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0027701 k( 138) = ( 0.0114942 0.0114942 -0.0000000), wk = 0.0027701 k( 139) = ( 0.0057471 0.0057471 -0.0000000), wk = 0.0027701 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 142) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0027701 k( 143) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0027701 k( 144) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0027701 k( 145) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0027701 k( 146) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0027701 k( 147) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0027701 k( 148) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0027701 k( 161) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0027701 k( 162) = ( 0.0000000 0.0000000 0.4038461), wk = 0.0027701 k( 163) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0027701 k( 164) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0027701 k( 165) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0027701 k( 166) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0027701 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 169) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0027701 k( 170) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0027701 k( 171) = ( 0.0300000 -0.0000000 0.5000000), wk = 0.0027701 k( 172) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0027701 k( 173) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0027701 k( 174) = ( 0.0600000 -0.0000000 0.5000000), wk = 0.0027701 k( 175) = ( 0.0700000 -0.0000000 0.5000000), wk = 0.0027701 k( 176) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0027701 k( 177) = ( 0.0900000 -0.0000000 0.5000000), wk = 0.0027701 k( 178) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0027701 k( 179) = ( 0.1100000 -0.0000000 0.5000000), wk = 0.0027701 k( 180) = ( 0.1200000 -0.0000000 0.5000000), wk = 0.0027701 k( 181) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0027701 k( 182) = ( 0.1400000 -0.0000000 0.5000000), wk = 0.0027701 k( 183) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0027701 k( 184) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0027701 k( 185) = ( 0.1700000 -0.0000000 0.5000000), wk = 0.0027701 k( 186) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0027701 k( 187) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0027701 k( 188) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0027701 k( 189) = ( 0.2100000 -0.0000000 0.5000000), wk = 0.0027701 k( 190) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0027701 k( 191) = ( 0.2300000 -0.0000000 0.5000000), wk = 0.0027701 k( 192) = ( 0.2400000 -0.0000000 0.5000000), wk = 0.0027701 k( 193) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0027701 k( 194) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0027701 k( 195) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0027701 k( 196) = ( 0.2800000 -0.0000000 0.5000000), wk = 0.0027701 k( 197) = ( 0.2900000 -0.0000000 0.5000000), wk = 0.0027701 k( 198) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0027701 k( 199) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0027701 k( 200) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0027701 k( 201) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0027701 k( 202) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0027701 k( 203) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0027701 k( 204) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0027701 k( 205) = ( 0.3700000 -0.0000000 0.5000000), wk = 0.0027701 k( 206) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0027701 k( 207) = ( 0.3900000 -0.0000000 0.5000000), wk = 0.0027701 k( 208) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0027701 k( 209) = ( 0.4100000 -0.0000000 0.5000000), wk = 0.0027701 k( 210) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0027701 k( 211) = ( 0.4300000 -0.0000000 0.5000000), wk = 0.0027701 k( 212) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0027701 k( 213) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0027701 k( 214) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0027701 k( 215) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0027701 k( 216) = ( 0.4800000 -0.0000000 0.5000000), wk = 0.0027701 k( 217) = ( 0.4900000 -0.0000000 0.5000000), wk = 0.0027701 k( 218) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027701 k( 219) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027701 k( 220) = ( 0.4942529 0.0114942 0.5000000), wk = 0.0027701 k( 221) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0027701 k( 222) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0027701 k( 223) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0027701 k( 224) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0027701 k( 225) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0027701 k( 226) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0027701 k( 227) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0027701 k( 228) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0027701 k( 229) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0027701 k( 230) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0027701 k( 231) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0027701 k( 232) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0027701 k( 233) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0027701 k( 234) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0027701 k( 235) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0027701 k( 236) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0027701 k( 237) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0027701 k( 238) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0027701 k( 239) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0027701 k( 240) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0027701 k( 241) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0027701 k( 242) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0027701 k( 243) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0027701 k( 244) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0027701 k( 245) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0027701 k( 246) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0027701 k( 247) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0027701 k( 248) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027701 k( 249) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027701 k( 250) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0027701 k( 251) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0027701 k( 252) = ( 0.3160920 0.3160920 0.5000000), wk = 0.0027701 k( 253) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0027701 k( 254) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0027701 k( 255) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0027701 k( 256) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0027701 k( 257) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0027701 k( 258) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0027701 k( 259) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0027701 k( 260) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0027701 k( 261) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0027701 k( 262) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0027701 k( 263) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0027701 k( 264) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0027701 k( 265) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0027701 k( 266) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0027701 k( 267) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0027701 k( 268) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0027701 k( 269) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0027701 k( 270) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0027701 k( 271) = ( 0.2068966 0.2068965 0.5000000), wk = 0.0027701 k( 272) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0027701 k( 273) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0027701 k( 274) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0027701 k( 275) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0027701 k( 276) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0027701 k( 277) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0027701 k( 278) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027701 k( 279) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0027701 k( 280) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0027701 k( 281) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0027701 k( 282) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0027701 k( 283) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0027701 k( 284) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0027701 k( 285) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0027701 k( 286) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0027701 k( 287) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0027701 k( 288) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0027701 k( 289) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0027701 k( 290) = ( 0.0977012 0.0977012 0.5000000), wk = 0.0027701 k( 291) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0027701 k( 292) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0027701 k( 293) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0027701 k( 294) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0027701 k( 295) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0027701 k( 296) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0027701 k( 297) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0027701 k( 298) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0027701 k( 299) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0027701 k( 300) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0027701 k( 301) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0027701 k( 302) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0027701 k( 303) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0027701 k( 304) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0027701 k( 305) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0027701 k( 306) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0027701 k( 307) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 308) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027701 k( 309) = ( 0.5000000 -0.0000000 0.4807692), wk = 0.0027701 k( 310) = ( 0.5000000 -0.0000000 0.4615385), wk = 0.0027701 k( 311) = ( 0.5000000 -0.0000000 0.4423077), wk = 0.0027701 k( 312) = ( 0.5000000 -0.0000000 0.4230769), wk = 0.0027701 k( 313) = ( 0.5000000 -0.0000000 0.4038462), wk = 0.0027701 k( 314) = ( 0.5000000 -0.0000000 0.3846154), wk = 0.0027701 k( 315) = ( 0.5000000 -0.0000000 0.3653846), wk = 0.0027701 k( 316) = ( 0.5000000 -0.0000000 0.3461538), wk = 0.0027701 k( 317) = ( 0.5000000 -0.0000000 0.3269231), wk = 0.0027701 k( 318) = ( 0.5000000 -0.0000000 0.3076923), wk = 0.0027701 k( 319) = ( 0.5000000 -0.0000000 0.2884615), wk = 0.0027701 k( 320) = ( 0.5000000 -0.0000000 0.2692308), wk = 0.0027701 k( 321) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0027701 k( 322) = ( 0.5000000 -0.0000000 0.2307692), wk = 0.0027701 k( 323) = ( 0.5000000 -0.0000000 0.2115385), wk = 0.0027701 k( 324) = ( 0.5000000 -0.0000000 0.1923077), wk = 0.0027701 k( 325) = ( 0.5000000 -0.0000000 0.1730769), wk = 0.0027701 k( 326) = ( 0.5000000 -0.0000000 0.1538461), wk = 0.0027701 k( 327) = ( 0.5000000 -0.0000000 0.1346154), wk = 0.0027701 k( 328) = ( 0.5000000 -0.0000000 0.1153846), wk = 0.0027701 k( 329) = ( 0.5000000 -0.0000000 0.0961538), wk = 0.0027701 k( 330) = ( 0.5000000 -0.0000000 0.0769231), wk = 0.0027701 k( 331) = ( 0.5000000 -0.0000000 0.0576923), wk = 0.0027701 k( 332) = ( 0.5000000 -0.0000000 0.0384615), wk = 0.0027701 k( 333) = ( 0.5000000 -0.0000000 0.0192308), wk = 0.0027701 k( 334) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027701 k( 335) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027701 k( 336) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0027701 k( 337) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0027701 k( 338) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0027701 k( 339) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0027701 k( 340) = ( 0.3333333 0.3333333 0.0961538), wk = 0.0027701 k( 341) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0027701 k( 342) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0027701 k( 343) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0027701 k( 344) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0027701 k( 345) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0027701 k( 346) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0027701 k( 347) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0027701 k( 348) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0027701 k( 349) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0027701 k( 350) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0027701 k( 351) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0027701 k( 352) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0027701 k( 353) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0027701 k( 354) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0027701 k( 355) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0027701 k( 356) = ( 0.3333333 0.3333333 0.4038461), wk = 0.0027701 k( 357) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0027701 k( 358) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0027701 k( 359) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0027701 k( 360) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0027701 k( 361) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027701 Dense grid: 210183 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 47623 G-vectors FFT dimensions: ( 40, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 328, 36) NL pseudopotentials 0.28 Mb ( 164, 110) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.04 Mb ( 5838) G-vector shells 0.02 Mb ( 2762) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.72 Mb ( 328, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.12 Mb ( 110, 2, 36) The potential is recalculated from file : ./MgxBePx2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.8 secs Computing kpt #: 13 total cpu time spent up to now is 6.2 secs Computing kpt #: 14 total cpu time spent up to now is 6.5 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 7.3 secs Computing kpt #: 17 total cpu time spent up to now is 7.7 secs Computing kpt #: 18 total cpu time spent up to now is 8.1 secs Computing kpt #: 19 total cpu time spent up to now is 8.5 secs Computing kpt #: 20 total cpu time spent up to now is 8.9 secs Computing kpt #: 21 total cpu time spent up to now is 9.2 secs Computing kpt #: 22 total cpu time spent up to now is 9.6 secs Computing kpt #: 23 total cpu time spent up to now is 9.9 secs Computing kpt #: 24 total cpu time spent up to now is 10.3 secs Computing kpt #: 25 total cpu time spent up to now is 10.6 secs Computing kpt #: 26 total cpu time spent up to now is 10.9 secs Computing kpt #: 27 total cpu time spent up to now is 11.3 secs Computing kpt #: 28 total cpu time spent up to now is 11.6 secs Computing kpt #: 29 total cpu time spent up to now is 12.0 secs Computing kpt #: 30 total cpu time spent up to now is 12.3 secs Computing kpt #: 31 total cpu time spent up to now is 12.6 secs Computing kpt #: 32 total cpu time spent up to now is 13.0 secs Computing kpt #: 33 total cpu time spent up to now is 13.3 secs Computing kpt #: 34 total cpu time spent up to now is 13.6 secs Computing kpt #: 35 total cpu time spent up to now is 13.9 secs Computing kpt #: 36 total cpu time spent up to now is 14.2 secs Computing kpt #: 37 total cpu time spent up to now is 14.5 secs Computing kpt #: 38 total cpu time spent up to now is 14.8 secs Computing kpt #: 39 total cpu time spent up to now is 15.1 secs Computing kpt #: 40 total cpu time spent up to now is 15.4 secs Computing kpt #: 41 total cpu time spent up to now is 15.7 secs Computing kpt #: 42 total cpu time spent up to now is 16.0 secs Computing kpt #: 43 total cpu time spent up to now is 16.3 secs Computing kpt #: 44 total cpu time spent up to now is 16.6 secs Computing kpt #: 45 total cpu time spent up to now is 16.9 secs Computing kpt #: 46 total cpu time spent up to now is 17.2 secs Computing kpt #: 47 total cpu time spent up to now is 17.5 secs Computing kpt #: 48 total cpu time spent up to now is 17.8 secs Computing kpt #: 49 total cpu time spent up to now is 18.1 secs Computing kpt #: 50 total cpu time spent up to now is 18.4 secs Computing kpt #: 51 total cpu time spent up to now is 18.7 secs Computing kpt #: 52 total cpu time spent up to now is 19.0 secs Computing kpt #: 53 total cpu time spent up to now is 19.3 secs Computing kpt #: 54 total cpu time spent up to now is 19.6 secs Computing kpt #: 55 total cpu time spent up to now is 19.9 secs Computing kpt #: 56 total cpu time spent up to now is 20.2 secs Computing kpt #: 57 total cpu time spent up to now is 20.5 secs Computing kpt #: 58 total cpu time spent up to now is 20.8 secs Computing kpt #: 59 total cpu time spent up to now is 21.1 secs Computing kpt #: 60 total cpu time spent up to now is 21.4 secs Computing kpt #: 61 total cpu time spent up to now is 21.7 secs Computing kpt #: 62 total cpu time spent up to now is 22.1 secs Computing kpt #: 63 total cpu time spent up to now is 22.4 secs Computing kpt #: 64 total cpu time spent up to now is 22.8 secs Computing kpt #: 65 total cpu time spent up to now is 23.1 secs Computing kpt #: 66 total cpu time spent up to now is 23.5 secs Computing kpt #: 67 total cpu time spent up to now is 23.8 secs Computing kpt #: 68 total cpu time spent up to now is 24.2 secs Computing kpt #: 69 total cpu time spent up to now is 24.7 secs Computing kpt #: 70 total cpu time spent up to now is 25.2 secs Computing kpt #: 71 total cpu time spent up to now is 25.6 secs Computing kpt #: 72 total cpu time spent up to now is 26.1 secs Computing kpt #: 73 total cpu time spent up to now is 26.5 secs Computing kpt #: 74 total cpu time spent up to now is 26.9 secs Computing kpt #: 75 total cpu time spent up to now is 27.3 secs Computing kpt #: 76 total cpu time spent up to now is 27.7 secs Computing kpt #: 77 total cpu time spent up to now is 28.1 secs Computing kpt #: 78 total cpu time spent up to now is 28.5 secs Computing kpt #: 79 total cpu time spent up to now is 29.0 secs Computing kpt #: 80 total cpu time spent up to now is 29.5 secs Computing kpt #: 81 total cpu time spent up to now is 30.2 secs Computing kpt #: 82 total cpu time spent up to now is 30.8 secs Computing kpt #: 83 total cpu time spent up to now is 31.3 secs Computing kpt #: 84 total cpu time spent up to now is 31.9 secs Computing kpt #: 85 total cpu time spent up to now is 32.4 secs Computing kpt #: 86 total cpu time spent up to now is 32.8 secs Computing kpt #: 87 total cpu time spent up to now is 33.4 secs Computing kpt #: 88 total cpu time spent up to now is 34.0 secs Computing kpt #: 89 total cpu time spent up to now is 34.6 secs Computing kpt #: 90 total cpu time spent up to now is 35.4 secs Computing kpt #: 91 total cpu time spent up to now is 35.9 secs Computing kpt #: 92 total cpu time spent up to now is 36.4 secs Computing kpt #: 93 total cpu time spent up to now is 36.8 secs Computing kpt #: 94 total cpu time spent up to now is 37.2 secs Computing kpt #: 95 total cpu time spent up to now is 37.6 secs Computing kpt #: 96 total cpu time spent up to now is 38.0 secs Computing kpt #: 97 total cpu time spent up to now is 38.3 secs Computing kpt #: 98 total cpu time spent up to now is 38.7 secs Computing kpt #: 99 total cpu time spent up to now is 39.1 secs Computing kpt #: 100 total cpu time spent up to now is 39.5 secs Computing kpt #: 101 total cpu time spent up to now is 39.8 secs Computing kpt #: 102 total cpu time spent up to now is 40.2 secs Computing kpt #: 103 total cpu time spent up to now is 40.6 secs Computing kpt #: 104 total cpu time spent up to now is 40.9 secs Computing kpt #: 105 total cpu time spent up to now is 41.3 secs Computing kpt #: 106 total cpu time spent up to now is 41.7 secs Computing kpt #: 107 total cpu time spent up to now is 42.1 secs Computing kpt #: 108 total cpu time spent up to now is 42.4 secs Computing kpt #: 109 total cpu time spent up to now is 42.8 secs Computing kpt #: 110 total cpu time spent up to now is 43.2 secs Computing kpt #: 111 total cpu time spent up to now is 43.5 secs Computing kpt #: 112 total cpu time spent up to now is 43.8 secs Computing kpt #: 113 total cpu time spent up to now is 44.2 secs Computing kpt #: 114 total cpu time spent up to now is 44.5 secs Computing kpt #: 115 total cpu time spent up to now is 44.9 secs Computing kpt #: 116 total cpu time spent up to now is 45.2 secs Computing kpt #: 117 total cpu time spent up to now is 45.6 secs Computing kpt #: 118 total cpu time spent up to now is 46.1 secs Computing kpt #: 119 total cpu time spent up to now is 46.5 secs Computing kpt #: 120 total cpu time spent up to now is 47.0 secs Computing kpt #: 121 total cpu time spent up to now is 47.4 secs Computing kpt #: 122 total cpu time spent up to now is 47.8 secs Computing kpt #: 123 total cpu time spent up to now is 48.2 secs Computing kpt #: 124 total cpu time spent up to now is 48.6 secs Computing kpt #: 125 total cpu time spent up to now is 49.0 secs Computing kpt #: 126 total cpu time spent up to now is 49.4 secs Computing kpt #: 127 total cpu time spent up to now is 49.8 secs Computing kpt #: 128 total cpu time spent up to now is 50.2 secs Computing kpt #: 129 total cpu time spent up to now is 50.5 secs Computing kpt #: 130 total cpu time spent up to now is 50.8 secs Computing kpt #: 131 total cpu time spent up to now is 51.1 secs Computing kpt #: 132 total cpu time spent up to now is 51.5 secs Computing kpt #: 133 total cpu time spent up to now is 51.8 secs Computing kpt #: 134 total cpu time spent up to now is 52.1 secs Computing kpt #: 135 total cpu time spent up to now is 52.4 secs Computing kpt #: 136 total cpu time spent up to now is 52.7 secs Computing kpt #: 137 total cpu time spent up to now is 53.0 secs Computing kpt #: 138 total cpu time spent up to now is 53.3 secs Computing kpt #: 139 total cpu time spent up to now is 53.6 secs Computing kpt #: 140 total cpu time spent up to now is 53.9 secs Computing kpt #: 141 total cpu time spent up to now is 54.2 secs Computing kpt #: 142 total cpu time spent up to now is 54.5 secs Computing kpt #: 143 total cpu time spent up to now is 54.8 secs Computing kpt #: 144 total cpu time spent up to now is 55.1 secs Computing kpt #: 145 total cpu time spent up to now is 55.5 secs Computing kpt #: 146 total cpu time spent up to now is 55.8 secs Computing kpt #: 147 total cpu time spent up to now is 56.1 secs Computing kpt #: 148 total cpu time spent up to now is 56.4 secs Computing kpt #: 149 total cpu time spent up to now is 56.7 secs Computing kpt #: 150 total cpu time spent up to now is 57.0 secs Computing kpt #: 151 total cpu time spent up to now is 57.3 secs Computing kpt #: 152 total cpu time spent up to now is 57.7 secs Computing kpt #: 153 total cpu time spent up to now is 58.0 secs Computing kpt #: 154 total cpu time spent up to now is 58.3 secs Computing kpt #: 155 total cpu time spent up to now is 58.7 secs Computing kpt #: 156 total cpu time spent up to now is 59.0 secs Computing kpt #: 157 total cpu time spent up to now is 59.3 secs Computing kpt #: 158 total cpu time spent up to now is 59.6 secs Computing kpt #: 159 total cpu time spent up to now is 59.9 secs Computing kpt #: 160 total cpu time spent up to now is 60.3 secs Computing kpt #: 161 total cpu time spent up to now is 60.6 secs Computing kpt #: 162 total cpu time spent up to now is 60.9 secs Computing kpt #: 163 total cpu time spent up to now is 61.2 secs Computing kpt #: 164 total cpu time spent up to now is 61.5 secs Computing kpt #: 165 total cpu time spent up to now is 61.8 secs Computing kpt #: 166 total cpu time spent up to now is 62.1 secs Computing kpt #: 167 total cpu time spent up to now is 62.4 secs Computing kpt #: 168 total cpu time spent up to now is 62.7 secs Computing kpt #: 169 total cpu time spent up to now is 63.0 secs Computing kpt #: 170 total cpu time spent up to now is 63.4 secs Computing kpt #: 171 total cpu time spent up to now is 63.7 secs Computing kpt #: 172 total cpu time spent up to now is 64.0 secs Computing kpt #: 173 total cpu time spent up to now is 64.4 secs Computing kpt #: 174 total cpu time spent up to now is 64.8 secs Computing kpt #: 175 total cpu time spent up to now is 65.3 secs Computing kpt #: 176 total cpu time spent up to now is 65.7 secs Computing kpt #: 177 total cpu time spent up to now is 66.2 secs Computing kpt #: 178 total cpu time spent up to now is 66.6 secs Computing kpt #: 179 total cpu time spent up to now is 67.1 secs Computing kpt #: 180 total cpu time spent up to now is 67.5 secs Computing kpt #: 181 total cpu time spent up to now is 68.0 secs Computing kpt #: 182 total cpu time spent up to now is 68.4 secs Computing kpt #: 183 total cpu time spent up to now is 68.8 secs Computing kpt #: 184 total cpu time spent up to now is 69.3 secs Computing kpt #: 185 total cpu time spent up to now is 69.7 secs Computing kpt #: 186 total cpu time spent up to now is 70.2 secs Computing kpt #: 187 total cpu time spent up to now is 70.7 secs Computing kpt #: 188 total cpu time spent up to now is 71.3 secs Computing kpt #: 189 total cpu time spent up to now is 71.7 secs Computing kpt #: 190 total cpu time spent up to now is 72.1 secs Computing kpt #: 191 total cpu time spent up to now is 72.5 secs Computing kpt #: 192 total cpu time spent up to now is 72.9 secs Computing kpt #: 193 total cpu time spent up to now is 73.2 secs Computing kpt #: 194 total cpu time spent up to now is 73.6 secs Computing kpt #: 195 total cpu time spent up to now is 74.0 secs Computing kpt #: 196 total cpu time spent up to now is 74.4 secs Computing kpt #: 197 total cpu time spent up to now is 74.8 secs Computing kpt #: 198 total cpu time spent up to now is 75.1 secs Computing kpt #: 199 total cpu time spent up to now is 75.4 secs Computing kpt #: 200 total cpu time spent up to now is 75.7 secs Computing kpt #: 201 total cpu time spent up to now is 76.1 secs Computing kpt #: 202 total cpu time spent up to now is 76.3 secs Computing kpt #: 203 total cpu time spent up to now is 76.6 secs Computing kpt #: 204 total cpu time spent up to now is 76.9 secs Computing kpt #: 205 total cpu time spent up to now is 77.2 secs Computing kpt #: 206 total cpu time spent up to now is 77.5 secs Computing kpt #: 207 total cpu time spent up to now is 77.7 secs Computing kpt #: 208 total cpu time spent up to now is 78.0 secs Computing kpt #: 209 total cpu time spent up to now is 78.3 secs Computing kpt #: 210 total cpu time spent up to now is 78.5 secs Computing kpt #: 211 total cpu time spent up to now is 78.8 secs Computing kpt #: 212 total cpu time spent up to now is 79.1 secs Computing kpt #: 213 total cpu time spent up to now is 79.3 secs Computing kpt #: 214 total cpu time spent up to now is 79.6 secs Computing kpt #: 215 total cpu time spent up to now is 79.8 secs Computing kpt #: 216 total cpu time spent up to now is 80.1 secs Computing kpt #: 217 total cpu time spent up to now is 80.4 secs Computing kpt #: 218 total cpu time spent up to now is 80.6 secs Computing kpt #: 219 total cpu time spent up to now is 80.9 secs Computing kpt #: 220 total cpu time spent up to now is 81.1 secs Computing kpt #: 221 total cpu time spent up to now is 81.4 secs Computing kpt #: 222 total cpu time spent up to now is 81.6 secs Computing kpt #: 223 total cpu time spent up to now is 81.9 secs Computing kpt #: 224 total cpu time spent up to now is 82.2 secs Computing kpt #: 225 total cpu time spent up to now is 82.4 secs Computing kpt #: 226 total cpu time spent up to now is 82.7 secs Computing kpt #: 227 total cpu time spent up to now is 83.0 secs Computing kpt #: 228 total cpu time spent up to now is 83.3 secs Computing kpt #: 229 total cpu time spent up to now is 83.5 secs Computing kpt #: 230 total cpu time spent up to now is 83.8 secs Computing kpt #: 231 total cpu time spent up to now is 84.1 secs Computing kpt #: 232 total cpu time spent up to now is 84.4 secs Computing kpt #: 233 total cpu time spent up to now is 84.7 secs Computing kpt #: 234 total cpu time spent up to now is 85.1 secs Computing kpt #: 235 total cpu time spent up to now is 85.4 secs Computing kpt #: 236 total cpu time spent up to now is 85.7 secs Computing kpt #: 237 total cpu time spent up to now is 86.0 secs Computing kpt #: 238 total cpu time spent up to now is 86.3 secs Computing kpt #: 239 total cpu time spent up to now is 86.6 secs Computing kpt #: 240 total cpu time spent up to now is 87.0 secs Computing kpt #: 241 total cpu time spent up to now is 87.3 secs Computing kpt #: 242 total cpu time spent up to now is 87.6 secs Computing kpt #: 243 total cpu time spent up to now is 87.9 secs Computing kpt #: 244 total cpu time spent up to now is 88.2 secs Computing kpt #: 245 total cpu time spent up to now is 88.5 secs Computing kpt #: 246 total cpu time spent up to now is 88.8 secs Computing kpt #: 247 total cpu time spent up to now is 89.1 secs Computing kpt #: 248 total cpu time spent up to now is 89.4 secs Computing kpt #: 249 total cpu time spent up to now is 89.7 secs Computing kpt #: 250 total cpu time spent up to now is 89.9 secs Computing kpt #: 251 total cpu time spent up to now is 90.2 secs Computing kpt #: 252 total cpu time spent up to now is 90.5 secs Computing kpt #: 253 total cpu time spent up to now is 90.8 secs Computing kpt #: 254 total cpu time spent up to now is 91.1 secs Computing kpt #: 255 total cpu time spent up to now is 91.4 secs Computing kpt #: 256 total cpu time spent up to now is 91.7 secs Computing kpt #: 257 total cpu time spent up to now is 92.0 secs Computing kpt #: 258 total cpu time spent up to now is 92.3 secs Computing kpt #: 259 total cpu time spent up to now is 92.6 secs Computing kpt #: 260 total cpu time spent up to now is 92.9 secs Computing kpt #: 261 total cpu time spent up to now is 93.2 secs Computing kpt #: 262 total cpu time spent up to now is 93.5 secs Computing kpt #: 263 total cpu time spent up to now is 93.9 secs Computing kpt #: 264 total cpu time spent up to now is 94.3 secs Computing kpt #: 265 total cpu time spent up to now is 94.6 secs Computing kpt #: 266 total cpu time spent up to now is 95.0 secs Computing kpt #: 267 total cpu time spent up to now is 95.4 secs Computing kpt #: 268 total cpu time spent up to now is 95.8 secs Computing kpt #: 269 total cpu time spent up to now is 96.2 secs Computing kpt #: 270 total cpu time spent up to now is 96.7 secs Computing kpt #: 271 total cpu time spent up to now is 97.1 secs Computing kpt #: 272 total cpu time spent up to now is 97.6 secs Computing kpt #: 273 total cpu time spent up to now is 98.0 secs Computing kpt #: 274 total cpu time spent up to now is 98.4 secs Computing kpt #: 275 total cpu time spent up to now is 98.8 secs Computing kpt #: 276 total cpu time spent up to now is 99.2 secs Computing kpt #: 277 total cpu time spent up to now is 99.6 secs Computing kpt #: 278 total cpu time spent up to now is 100.0 secs Computing kpt #: 279 total cpu time spent up to now is 100.4 secs Computing kpt #: 280 total cpu time spent up to now is 100.7 secs Computing kpt #: 281 total cpu time spent up to now is 101.0 secs Computing kpt #: 282 total cpu time spent up to now is 101.4 secs Computing kpt #: 283 total cpu time spent up to now is 101.8 secs Computing kpt #: 284 total cpu time spent up to now is 102.1 secs Computing kpt #: 285 total cpu time spent up to now is 102.5 secs Computing kpt #: 286 total cpu time spent up to now is 102.8 secs Computing kpt #: 287 total cpu time spent up to now is 103.1 secs Computing kpt #: 288 total cpu time spent up to now is 103.4 secs Computing kpt #: 289 total cpu time spent up to now is 103.7 secs Computing kpt #: 290 total cpu time spent up to now is 104.0 secs Computing kpt #: 291 total cpu time spent up to now is 104.3 secs Computing kpt #: 292 total cpu time spent up to now is 104.7 secs Computing kpt #: 293 total cpu time spent up to now is 105.0 secs Computing kpt #: 294 total cpu time spent up to now is 105.3 secs Computing kpt #: 295 total cpu time spent up to now is 105.6 secs Computing kpt #: 296 total cpu time spent up to now is 105.9 secs Computing kpt #: 297 total cpu time spent up to now is 106.2 secs Computing kpt #: 298 total cpu time spent up to now is 106.6 secs Computing kpt #: 299 total cpu time spent up to now is 106.9 secs Computing kpt #: 300 total cpu time spent up to now is 107.3 secs Computing kpt #: 301 total cpu time spent up to now is 107.6 secs Computing kpt #: 302 total cpu time spent up to now is 108.0 secs Computing kpt #: 303 total cpu time spent up to now is 108.4 secs Computing kpt #: 304 total cpu time spent up to now is 108.7 secs Computing kpt #: 305 total cpu time spent up to now is 109.0 secs Computing kpt #: 306 total cpu time spent up to now is 109.3 secs Computing kpt #: 307 total cpu time spent up to now is 109.6 secs Computing kpt #: 308 total cpu time spent up to now is 109.9 secs Computing kpt #: 309 total cpu time spent up to now is 110.1 secs Computing kpt #: 310 total cpu time spent up to now is 110.4 secs Computing kpt #: 311 total cpu time spent up to now is 110.6 secs Computing kpt #: 312 total cpu time spent up to now is 110.9 secs Computing kpt #: 313 total cpu time spent up to now is 111.2 secs Computing kpt #: 314 total cpu time spent up to now is 111.4 secs Computing kpt #: 315 total cpu time spent up to now is 111.7 secs Computing kpt #: 316 total cpu time spent up to now is 112.0 secs Computing kpt #: 317 total cpu time spent up to now is 112.3 secs Computing kpt #: 318 total cpu time spent up to now is 112.6 secs Computing kpt #: 319 total cpu time spent up to now is 112.8 secs Computing kpt #: 320 total cpu time spent up to now is 113.1 secs Computing kpt #: 321 total cpu time spent up to now is 113.4 secs Computing kpt #: 322 total cpu time spent up to now is 113.7 secs Computing kpt #: 323 total cpu time spent up to now is 114.0 secs Computing kpt #: 324 total cpu time spent up to now is 114.3 secs Computing kpt #: 325 total cpu time spent up to now is 114.7 secs Computing kpt #: 326 total cpu time spent up to now is 115.0 secs Computing kpt #: 327 total cpu time spent up to now is 115.3 secs Computing kpt #: 328 total cpu time spent up to now is 115.6 secs Computing kpt #: 329 total cpu time spent up to now is 115.9 secs Computing kpt #: 330 total cpu time spent up to now is 116.2 secs Computing kpt #: 331 total cpu time spent up to now is 116.5 secs Computing kpt #: 332 total cpu time spent up to now is 116.8 secs Computing kpt #: 333 total cpu time spent up to now is 117.1 secs Computing kpt #: 334 total cpu time spent up to now is 117.4 secs Computing kpt #: 335 total cpu time spent up to now is 117.9 secs Computing kpt #: 336 total cpu time spent up to now is 118.3 secs Computing kpt #: 337 total cpu time spent up to now is 118.9 secs Computing kpt #: 338 total cpu time spent up to now is 119.8 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.8 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.9 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.0 secs Computing kpt #: 342 total cpu time spent up to now is 123.7 secs Computing kpt #: 343 total cpu time spent up to now is 124.3 secs Computing kpt #: 344 total cpu time spent up to now is 124.8 secs Computing kpt #: 345 total cpu time spent up to now is 125.2 secs Computing kpt #: 346 total cpu time spent up to now is 125.6 secs Computing kpt #: 347 total cpu time spent up to now is 126.0 secs Computing kpt #: 348 total cpu time spent up to now is 126.4 secs Computing kpt #: 349 total cpu time spent up to now is 126.7 secs Computing kpt #: 350 total cpu time spent up to now is 127.0 secs Computing kpt #: 351 total cpu time spent up to now is 127.4 secs Computing kpt #: 352 total cpu time spent up to now is 127.7 secs Computing kpt #: 353 total cpu time spent up to now is 128.0 secs Computing kpt #: 354 total cpu time spent up to now is 128.3 secs Computing kpt #: 355 total cpu time spent up to now is 128.6 secs Computing kpt #: 356 total cpu time spent up to now is 128.9 secs Computing kpt #: 357 total cpu time spent up to now is 129.2 secs Computing kpt #: 358 total cpu time spent up to now is 129.4 secs Computing kpt #: 359 total cpu time spent up to now is 129.7 secs Computing kpt #: 360 total cpu time spent up to now is 130.0 secs Computing kpt #: 361 total cpu time spent up to now is 130.3 secs ethr = 3.57E-08, avg # of iterations = 21.2 total cpu time spent up to now is 130.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5901 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5659 -35.5659 -35.5638 -35.5638 -5.2356 -5.2356 -3.2609 -3.2609 0.7278 0.7278 5.8145 5.8145 5.8439 5.8439 6.9840 6.9840 7.5729 7.5729 7.6151 7.6151 10.3041 10.3041 10.6462 10.6462 10.9541 10.9541 10.9564 10.9564 k = 0.0100 0.0058-0.0000 ( 5909 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.2345 -5.2345 -3.2601 -3.2601 0.7290 0.7290 5.8077 5.8077 5.8378 5.8378 6.9864 6.9864 7.5678 7.5678 7.6103 7.6103 10.3053 10.3053 10.6487 10.6487 10.9520 10.9520 10.9591 10.9591 k = 0.0200 0.0115-0.0000 ( 5915 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.2313 -5.2313 -3.2576 -3.2576 0.7327 0.7327 5.7834 5.7834 5.8237 5.8237 6.9933 6.9933 7.5492 7.5492 7.5992 7.5992 10.3091 10.3091 10.6558 10.6558 10.9434 10.9434 10.9701 10.9701 k = 0.0300 0.0173-0.0000 ( 5911 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.2258 -5.2258 -3.2535 -3.2535 0.7388 0.7388 5.7386 5.7386 5.8064 5.8064 7.0033 7.0033 7.5130 7.5130 7.5868 7.5868 10.3153 10.3153 10.6666 10.6666 10.9303 10.9303 10.9885 10.9885 k = 0.0400 0.0231-0.0000 ( 5915 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.2181 -5.2181 -3.2477 -3.2477 0.7474 0.7474 5.6758 5.6758 5.7854 5.7854 7.0147 7.0147 7.4595 7.4595 7.5738 7.5738 10.3239 10.3239 10.6786 10.6786 10.9148 10.9148 11.0144 11.0144 k = 0.0500 0.0289-0.0000 ( 5923 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -5.2083 -5.2083 -3.2404 -3.2404 0.7585 0.7585 5.5984 5.5984 5.7600 5.7600 7.0256 7.0256 7.3916 7.3916 7.5590 7.5590 10.3349 10.3349 10.6881 10.6881 10.9004 10.9004 11.0478 11.0478 k = 0.0600 0.0346-0.0000 ( 5931 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5661 -35.5661 -35.5638 -35.5638 -5.1963 -5.1963 -3.2314 -3.2314 0.7719 0.7719 5.5087 5.5087 5.7301 5.7301 7.0339 7.0339 7.3120 7.3120 7.5417 7.5417 10.3481 10.3481 10.6896 10.6896 10.8920 10.8920 11.0885 11.0885 k = 0.0700 0.0404-0.0000 ( 5927 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5662 -35.5662 -35.5638 -35.5638 -5.1821 -5.1821 -3.2209 -3.2209 0.7879 0.7879 5.4087 5.4087 5.6961 5.6961 7.0357 7.0357 7.2250 7.2250 7.5216 7.5216 10.3635 10.3635 10.6784 10.6784 10.8932 10.8932 11.1364 11.1364 k = 0.0800 0.0462-0.0000 ( 5923 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5662 -35.5662 -35.5638 -35.5638 -5.1657 -5.1657 -3.2088 -3.2088 0.8063 0.8063 5.3003 5.3003 5.6583 5.6583 7.0202 7.0202 7.1424 7.1424 7.4987 7.4987 10.3807 10.3807 10.6539 10.6539 10.9034 10.9034 11.1914 11.1914 k = 0.0900 0.0520-0.0000 ( 5931 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8536 -35.8536 -35.5663 -35.5663 -35.5638 -35.5638 -5.1473 -5.1473 -3.1952 -3.1952 0.8270 0.8270 5.1849 5.1849 5.6171 5.6171 6.9578 6.9578 7.0942 7.0942 7.4730 7.4730 10.3993 10.3993 10.6195 10.6195 10.9185 10.9185 11.2530 11.2530 k = 0.1000 0.0577-0.0000 ( 5935 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8536 -35.8536 -35.5663 -35.5663 -35.5638 -35.5638 -5.1266 -5.1266 -3.1801 -3.1801 0.8503 0.8503 5.0637 5.0637 5.5729 5.5729 6.8542 6.8542 7.0759 7.0759 7.4446 7.4446 10.4178 10.4178 10.5799 10.5799 10.9341 10.9341 11.3207 11.3207 k = 0.1100 0.0635-0.0000 ( 5937 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8536 -35.8536 -35.5664 -35.5664 -35.5639 -35.5639 -5.1039 -5.1039 -3.1636 -3.1636 0.8759 0.8759 4.9377 4.9377 5.5263 5.5263 6.7348 6.7348 7.0627 7.0627 7.4136 7.4136 10.4315 10.4315 10.5418 10.5418 10.9472 10.9472 11.3938 11.3938 k = 0.1200 0.0693-0.0000 ( 5943 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8537 -35.8537 -35.5665 -35.5665 -35.5639 -35.5639 -5.0791 -5.0791 -3.1457 -3.1457 0.9039 0.9039 4.8078 4.8078 5.4775 5.4775 6.6077 6.6077 7.0475 7.0475 7.3803 7.3803 10.4248 10.4248 10.5224 10.5224 10.9563 10.9563 11.4713 11.4713 k = 0.1300 0.0751-0.0000 ( 5953 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8537 -35.8537 -35.5666 -35.5666 -35.5639 -35.5639 -5.0521 -5.0521 -3.1265 -3.1265 0.9343 0.9343 4.6750 4.6750 5.4270 5.4270 6.4755 6.4755 7.0286 7.0286 7.3448 7.3448 10.3877 10.3877 10.5325 10.5325 10.9607 10.9607 11.5516 11.5516 k = 0.1400 0.0808-0.0000 ( 5957 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8538 -35.8538 -35.5667 -35.5667 -35.5639 -35.5639 -5.0232 -5.0232 -3.1060 -3.1060 0.9671 0.9671 4.5398 4.5398 5.3751 5.3751 6.3395 6.3395 7.0052 7.0052 7.3075 7.3075 10.3361 10.3361 10.5565 10.5565 10.9605 10.9605 11.6327 11.6327 k = 0.1500 0.0866-0.0000 ( 5961 PWs) bands (ev): -92.9559 -92.9559 -92.9542 -92.9542 -68.9004 -68.9004 -35.8538 -35.8538 -35.5667 -35.5667 -35.5639 -35.5639 -4.9922 -4.9922 -3.0843 -3.0843 1.0022 1.0022 4.4029 4.4029 5.3223 5.3223 6.2006 6.2006 6.9772 6.9772 7.2684 7.2684 10.2792 10.2792 10.5856 10.5856 10.9565 10.9565 11.7119 11.7119 k = 0.1600 0.0924-0.0000 ( 5957 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8539 -35.8539 -35.5668 -35.5668 -35.5639 -35.5639 -4.9591 -4.9591 -3.0615 -3.0615 1.0397 1.0397 4.2648 4.2648 5.2687 5.2687 6.0597 6.0597 6.9444 6.9444 7.2280 7.2280 10.2198 10.2198 10.6170 10.6170 10.9496 10.9496 11.7858 11.7858 k = 0.1700 0.0981-0.0000 ( 5961 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8539 -35.8539 -35.5669 -35.5669 -35.5639 -35.5639 -4.9241 -4.9241 -3.0376 -3.0376 1.0794 1.0794 4.1262 4.1262 5.2147 5.2147 5.9172 5.9172 6.9068 6.9068 7.1865 7.1865 10.1589 10.1589 10.6490 10.6490 10.9413 10.9413 11.8503 11.8503 k = 0.1800 0.1039-0.0000 ( 5957 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8540 -35.8540 -35.5670 -35.5670 -35.5639 -35.5639 -4.8871 -4.8871 -3.0128 -3.0128 1.1215 1.1215 3.9874 3.9874 5.1606 5.1606 5.7737 5.7737 6.8645 6.8645 7.1440 7.1440 10.0973 10.0973 10.6800 10.6800 10.9337 10.9337 11.9023 11.9023 k = 0.1900 0.1097-0.0000 ( 5953 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8540 -35.8540 -35.5671 -35.5671 -35.5639 -35.5639 -4.8483 -4.8483 -2.9872 -2.9872 1.1658 1.1658 3.8490 3.8490 5.1066 5.1066 5.6296 5.6296 6.8176 6.8176 7.1010 7.1010 10.0354 10.0354 10.7072 10.7072 10.9298 10.9298 11.9400 11.9400 k = 0.2000 0.1155-0.0000 ( 5961 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8541 -35.8541 -35.5672 -35.5672 -35.5640 -35.5640 -4.8075 -4.8075 -2.9608 -2.9608 1.2124 1.2124 3.7112 3.7112 5.0529 5.0529 5.4853 5.4853 6.7660 6.7660 7.0576 7.0576 9.9735 9.9735 10.7273 10.7273 10.9332 10.9332 11.9636 11.9636 k = 0.2100 0.1212-0.0000 ( 5967 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8542 -35.8542 -35.5673 -35.5673 -35.5640 -35.5640 -4.7649 -4.7649 -2.9338 -2.9338 1.2612 1.2612 3.5746 3.5746 4.9997 4.9997 5.3412 5.3412 6.7099 6.7099 7.0140 7.0140 9.9119 9.9119 10.7371 10.7371 10.9476 10.9476 11.9749 11.9749 k = 0.2200 0.1270-0.0000 ( 5977 PWs) bands (ev): -92.9558 -92.9558 -92.9543 -92.9543 -68.9004 -68.9004 -35.8542 -35.8542 -35.5674 -35.5674 -35.5640 -35.5640 -4.7205 -4.7205 -2.9064 -2.9064 1.3121 1.3121 3.4395 3.4395 4.9472 4.9472 5.1975 5.1975 6.6494 6.6494 6.9704 6.9704 9.8509 9.8509 10.7363 10.7363 10.9731 10.9731 11.9762 11.9762 k = 0.2300 0.1328-0.0000 ( 5981 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8543 -35.8543 -35.5676 -35.5676 -35.5640 -35.5640 -4.6743 -4.6743 -2.8787 -2.8787 1.3652 1.3652 3.3063 3.3063 4.8954 4.8954 5.0547 5.0547 6.5847 6.5847 6.9271 6.9271 9.7907 9.7907 10.7277 10.7277 11.0071 11.0071 11.9694 11.9694 k = 0.2400 0.1386-0.0000 ( 5979 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8543 -35.8543 -35.5677 -35.5677 -35.5640 -35.5640 -4.6265 -4.6265 -2.8508 -2.8508 1.4204 1.4204 3.1753 3.1753 4.8440 4.8440 4.9134 4.9134 6.5158 6.5158 6.8843 6.8843 9.7315 9.7315 10.7143 10.7143 11.0462 11.0462 11.9564 11.9564 k = 0.2500 0.1443-0.0000 ( 5973 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8544 -35.8544 -35.5677 -35.5677 -35.5640 -35.5640 -4.5770 -4.5770 -2.8229 -2.8229 1.4775 1.4775 3.0470 3.0470 4.7681 4.7681 4.7991 4.7991 6.4431 6.4431 6.8420 6.8420 9.6736 9.6736 10.6983 10.6983 11.0874 11.0874 11.9346 11.9346 k = 0.2600 0.1501-0.0000 ( 5973 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8544 -35.8544 -35.5679 -35.5679 -35.5640 -35.5640 -4.5260 -4.5260 -2.7953 -2.7953 1.5366 1.5366 2.9216 2.9216 4.6312 4.6312 4.7484 4.7484 6.3666 6.3666 6.8005 6.8005 9.6169 9.6169 10.6812 10.6812 11.1283 11.1283 11.8755 11.8755 k = 0.2700 0.1559-0.0000 ( 5973 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8545 -35.8545 -35.5680 -35.5680 -35.5640 -35.5640 -4.4735 -4.4735 -2.7681 -2.7681 1.5975 1.5975 2.7997 2.7997 4.4939 4.4939 4.7012 4.7012 6.2867 6.2867 6.7599 6.7599 9.5619 9.5619 10.6637 10.6637 11.1660 11.1660 11.8240 11.8240 k = 0.2800 0.1617-0.0000 ( 5973 PWs) bands (ev): -92.9557 -92.9557 -92.9544 -92.9544 -68.9003 -68.9003 -35.8546 -35.8546 -35.5681 -35.5681 -35.5640 -35.5640 -4.4196 -4.4196 -2.7416 -2.7416 1.6601 1.6601 2.6816 2.6816 4.3583 4.3583 4.6557 4.6557 6.2035 6.2035 6.7203 6.7203 9.5085 9.5085 10.6465 10.6465 11.1974 11.1974 11.7848 11.7848 k = 0.2900 0.1674-0.0000 ( 5977 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8546 -35.8546 -35.5682 -35.5682 -35.5641 -35.5641 -4.3644 -4.3644 -2.7160 -2.7160 1.7242 1.7242 2.5678 2.5678 4.2248 4.2248 4.6118 4.6118 6.1174 6.1174 6.6818 6.6818 9.4569 9.4569 10.6299 10.6299 11.2189 11.2189 11.7615 11.7615 k = 0.3000 0.1732-0.0000 ( 5969 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8547 -35.8547 -35.5683 -35.5683 -35.5641 -35.5641 -4.3080 -4.3080 -2.6916 -2.6916 1.7893 1.7893 2.4590 2.4590 4.0937 4.0937 4.5695 4.5695 6.0285 6.0285 6.6445 6.6445 9.4072 9.4072 10.6141 10.6141 11.2273 11.2273 11.7568 11.7568 k = 0.3100 0.1790-0.0000 ( 5965 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8547 -35.8547 -35.5684 -35.5684 -35.5641 -35.5641 -4.2505 -4.2505 -2.6686 -2.6686 1.8547 1.8547 2.3562 2.3562 3.9652 3.9652 4.5290 4.5290 5.9373 5.9373 6.6086 6.6086 9.3595 9.3595 10.5993 10.5993 11.2220 11.2220 11.7707 11.7707 k = 0.3200 0.1848-0.0000 ( 5967 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8548 -35.8548 -35.5685 -35.5685 -35.5641 -35.5641 -4.1920 -4.1920 -2.6473 -2.6473 1.9182 1.9182 2.2618 2.2618 3.8395 3.8395 4.4902 4.4902 5.8440 5.8440 6.5741 6.5741 9.3139 9.3139 10.5856 10.5856 11.2049 11.2049 11.7587 11.7587 k = 0.3300 0.1905-0.0000 ( 5969 PWs) bands (ev): -92.9556 -92.9556 -92.9545 -92.9545 -68.9003 -68.9003 -35.8548 -35.8548 -35.5686 -35.5686 -35.5641 -35.5641 -4.1327 -4.1327 -2.6280 -2.6280 1.9721 1.9721 2.1838 2.1838 3.7169 3.7169 4.4532 4.4532 5.7490 5.7490 6.5411 6.5411 9.2705 9.2705 10.5730 10.5730 11.1797 11.1797 11.7316 11.7316 k = 0.3400 0.1963-0.0000 ( 5965 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8549 -35.8549 -35.5687 -35.5687 -35.5641 -35.5641 -4.0727 -4.0727 -2.6109 -2.6109 1.9859 1.9859 2.1530 2.1530 3.5977 3.5977 4.4181 4.4181 5.6526 5.6526 6.5097 6.5097 9.2294 9.2294 10.5616 10.5616 11.1496 11.1496 11.7050 11.7050 k = 0.3500 0.2021-0.0000 ( 5967 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8549 -35.8549 -35.5687 -35.5687 -35.5641 -35.5641 -4.0123 -4.0123 -2.5964 -2.5964 1.9388 1.9388 2.1900 2.1900 3.4821 3.4821 4.3850 4.3850 5.5552 5.5552 6.4799 6.4799 9.1906 9.1906 10.5514 10.5514 11.1171 11.1171 11.6792 11.6792 k = 0.3600 0.2078-0.0000 ( 5967 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8550 -35.8550 -35.5688 -35.5688 -35.5641 -35.5641 -3.9515 -3.9515 -2.5846 -2.5846 1.8722 1.8722 2.2537 2.2537 3.3705 3.3705 4.3538 4.3538 5.4572 5.4572 6.4518 6.4518 9.1541 9.1541 10.5423 10.5423 11.0840 11.0840 11.6545 11.6545 k = 0.3700 0.2136-0.0000 ( 5967 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8550 -35.8550 -35.5689 -35.5689 -35.5641 -35.5641 -3.8908 -3.8908 -2.5758 -2.5758 1.8052 1.8052 2.3248 2.3248 3.2631 3.2631 4.3246 4.3246 5.3591 5.3591 6.4254 6.4254 9.1200 9.1200 10.5343 10.5343 11.0513 11.0513 11.6309 11.6309 k = 0.3800 0.2194-0.0000 ( 5969 PWs) bands (ev): -92.9555 -92.9555 -92.9546 -92.9546 -68.9003 -68.9003 -35.8551 -35.8551 -35.5690 -35.5690 -35.5641 -35.5641 -3.8303 -3.8303 -2.5701 -2.5701 1.7424 1.7424 2.3989 2.3989 3.1604 3.1604 4.2974 4.2974 5.2613 5.2613 6.4008 6.4008 9.0884 9.0884 10.5275 10.5275 11.0197 11.0197 11.6087 11.6087 k = 0.3900 0.2252-0.0000 ( 5965 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8551 -35.8551 -35.5691 -35.5691 -35.5641 -35.5641 -3.7704 -3.7704 -2.5677 -2.5677 1.6852 1.6852 2.4742 2.4742 3.0627 3.0627 4.2723 4.2723 5.1643 5.1643 6.3781 6.3781 9.0592 9.0592 10.5216 10.5216 10.9897 10.9897 11.5879 11.5879 k = 0.4000 0.2309-0.0000 ( 5957 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8551 -35.8551 -35.5691 -35.5691 -35.5641 -35.5641 -3.7114 -3.7114 -2.5685 -2.5685 1.6340 1.6340 2.5497 2.5497 2.9706 2.9706 4.2494 4.2494 5.0688 5.0688 6.3572 6.3572 9.0325 9.0325 10.5167 10.5167 10.9617 10.9617 11.5687 11.5687 k = 0.4100 0.2367-0.0000 ( 5965 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8552 -35.8552 -35.5692 -35.5692 -35.5641 -35.5641 -3.6539 -3.6539 -2.5724 -2.5724 1.5892 1.5892 2.6247 2.6247 2.8844 2.8844 4.2285 4.2285 4.9754 4.9754 6.3382 6.3382 9.0083 9.0083 10.5126 10.5126 10.9358 10.9358 11.5510 11.5510 k = 0.4200 0.2425-0.0000 ( 5971 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8552 -35.8552 -35.5693 -35.5693 -35.5641 -35.5641 -3.5982 -3.5982 -2.5793 -2.5793 1.5505 1.5505 2.6980 2.6980 2.8052 2.8052 4.2098 4.2098 4.8850 4.8850 6.3211 6.3211 8.9866 8.9866 10.5094 10.5094 10.9122 10.9122 11.5351 11.5351 k = 0.4300 0.2483-0.0000 ( 5963 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8552 -35.8552 -35.5693 -35.5693 -35.5641 -35.5641 -3.5452 -3.5452 -2.5888 -2.5888 1.5180 1.5180 2.7292 2.7292 2.7728 2.7728 4.1932 4.1932 4.7987 4.7987 6.3060 6.3060 8.9674 8.9674 10.5069 10.5069 10.8911 10.8911 11.5209 11.5209 k = 0.4400 0.2540-0.0000 ( 5961 PWs) bands (ev): -92.9554 -92.9554 -92.9547 -92.9547 -68.9003 -68.9003 -35.8552 -35.8552 -35.5693 -35.5693 -35.5641 -35.5641 -3.4955 -3.4955 -2.6003 -2.6003 1.4912 1.4912 2.6661 2.6661 2.8390 2.8390 4.1788 4.1788 4.7176 4.7176 6.2928 6.2928 8.9508 8.9508 10.5050 10.5050 10.8725 10.8725 11.5085 11.5085 k = 0.4500 0.2598-0.0000 ( 5950 PWs) bands (ev): -92.9554 -92.9554 -92.9547 -92.9547 -68.9003 -68.9003 -35.8552 -35.8552 -35.5694 -35.5694 -35.5641 -35.5641 -3.4502 -3.4502 -2.6131 -2.6131 1.4698 1.4698 2.6097 2.6097 2.9019 2.9019 4.1666 4.1666 4.6433 4.6433 6.2816 6.2816 8.9367 8.9367 10.5036 10.5036 10.8566 10.8566 11.4979 11.4979 k = 0.4600 0.2656-0.0000 ( 5952 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5694 -35.5694 -35.5641 -35.5641 -3.4103 -3.4103 -2.6262 -2.6262 1.4533 1.4533 2.5623 2.5623 2.9582 2.9582 4.1566 4.1566 4.5777 4.5777 6.2725 6.2725 8.9252 8.9252 10.5026 10.5026 10.8435 10.8435 11.4892 11.4892 k = 0.4700 0.2714-0.0000 ( 5950 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5694 -35.5694 -35.5641 -35.5641 -3.3771 -3.3771 -2.6384 -2.6384 1.4411 1.4411 2.5246 2.5246 3.0056 3.0056 4.1489 4.1489 4.5230 4.5230 6.2654 6.2654 8.9163 8.9163 10.5019 10.5019 10.8331 10.8331 11.4825 11.4825 k = 0.4800 0.2771-0.0000 ( 5946 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5694 -35.5694 -35.5641 -35.5641 -3.3521 -3.3521 -2.6484 -2.6484 1.4329 1.4329 2.4971 2.4971 3.0419 3.0419 4.1433 4.1433 4.4815 4.4815 6.2603 6.2603 8.9098 8.9098 10.5016 10.5016 10.8257 10.8257 11.4776 11.4776 k = 0.4900 0.2829-0.0000 ( 5942 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5694 -35.5694 -35.5641 -35.5641 -3.3364 -3.3364 -2.6551 -2.6551 1.4281 1.4281 2.4804 2.4804 3.0647 3.0647 4.1400 4.1400 4.4555 4.4555 6.2572 6.2572 8.9060 8.9060 10.5014 10.5014 10.8212 10.8212 11.4747 11.4747 k = 0.5000 0.2887-0.0000 ( 5944 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5694 -35.5694 -35.5641 -35.5641 -3.3311 -3.3311 -2.6574 -2.6574 1.4265 1.4265 2.4748 2.4748 3.0725 3.0725 4.1389 4.1389 4.4466 4.4466 6.2562 6.2562 8.9047 8.9047 10.5013 10.5013 10.8197 10.8197 11.4737 11.4737 k = 0.5000 0.2887-0.0000 ( 5944 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5694 -35.5694 -35.5641 -35.5641 -3.3311 -3.3311 -2.6574 -2.6574 1.4265 1.4265 2.4748 2.4748 3.0725 3.0725 4.1389 4.1389 4.4466 4.4466 6.2562 6.2562 8.9047 8.9047 10.5013 10.5013 10.8197 10.8197 11.4737 11.4737 k = 0.4943 0.2986-0.0000 ( 5944 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5694 -35.5694 -35.5641 -35.5641 -3.3302 -3.3302 -2.6571 -2.6571 1.4274 1.4274 2.4757 2.4757 3.0737 3.0737 4.1307 4.1307 4.4484 4.4484 6.2481 6.2481 8.9143 8.9143 10.4827 10.4827 10.8304 10.8304 11.4912 11.4912 k = 0.4885 0.3086-0.0000 ( 5946 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5694 -35.5694 -35.5641 -35.5641 -3.3278 -3.3278 -2.6562 -2.6562 1.4298 1.4298 2.4784 2.4784 3.0771 3.0771 4.1069 4.1069 4.4532 4.4532 6.2239 6.2239 8.9427 8.9427 10.4309 10.4309 10.8622 10.8622 11.5400 11.5400 k = 0.4828 0.3185-0.0000 ( 5942 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5694 -35.5694 -35.5641 -35.5641 -3.3237 -3.3237 -2.6547 -2.6547 1.4340 1.4340 2.4828 2.4828 3.0828 3.0828 4.0692 4.0692 4.4598 4.4598 6.1845 6.1845 8.9892 8.9892 10.3545 10.3545 10.9145 10.9145 11.6117 11.6117 k = 0.4770 0.3285-0.0000 ( 5948 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5694 -35.5694 -35.5641 -35.5641 -3.3180 -3.3180 -2.6527 -2.6527 1.4397 1.4397 2.4890 2.4890 3.0908 3.0908 4.0195 4.0195 4.4670 4.4670 6.1309 6.1309 9.0524 9.0524 10.2624 10.2624 10.9860 10.9860 11.6981 11.6981 k = 0.4713 0.3384-0.0000 ( 5956 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5641 -35.5641 -3.3106 -3.3106 -2.6501 -2.6501 1.4471 1.4471 2.4969 2.4969 3.1010 3.1010 3.9599 3.9599 4.4740 4.4740 6.0645 6.0645 9.1300 9.1300 10.1621 10.1621 11.0755 11.0755 11.7929 11.7929 k = 0.4655 0.3484-0.0000 ( 5962 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.3017 -3.3017 -2.6471 -2.6471 1.4560 1.4560 2.5065 2.5065 3.1136 3.1136 3.8919 3.8919 4.4803 4.4803 5.9868 5.9868 9.2184 9.2184 10.0603 10.0603 11.1813 11.1813 11.8921 11.8921 k = 0.4598 0.3584-0.0000 ( 5966 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2912 -3.2912 -2.6438 -2.6438 1.4663 1.4663 2.5177 2.5177 3.1284 3.1284 3.8171 3.8171 4.4856 4.4856 5.8994 5.8994 9.3105 9.3105 9.9657 9.9657 11.3019 11.3019 11.9930 11.9930 k = 0.4540 0.3683-0.0000 ( 5964 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2791 -3.2791 -2.6401 -2.6401 1.4781 1.4781 2.5306 2.5306 3.1454 3.1454 3.7368 3.7368 4.4900 4.4900 5.8038 5.8038 9.3900 9.3900 9.8954 9.8954 11.4357 11.4357 12.0939 12.0939 k = 0.4483 0.3783-0.0000 ( 5964 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2655 -3.2655 -2.6362 -2.6362 1.4912 1.4912 2.5449 2.5449 3.1648 3.1648 3.6525 3.6525 4.4931 4.4931 5.7017 5.7017 9.4236 9.4236 9.8828 9.8828 11.5811 11.5811 12.1936 12.1936 k = 0.4425 0.3882-0.0000 ( 5968 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5642 -35.5642 -3.2504 -3.2504 -2.6322 -2.6322 1.5055 1.5055 2.5608 2.5608 3.1863 3.1863 3.5653 3.5653 4.4950 4.4950 5.5943 5.5943 9.3891 9.3891 9.9501 9.9501 11.7367 11.7367 12.2914 12.2914 k = 0.4368 0.3982-0.0000 ( 5968 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5642 -35.5642 -3.2339 -3.2339 -2.6282 -2.6282 1.5209 1.5209 2.5780 2.5780 3.2101 3.2101 3.4766 3.4766 4.4954 4.4954 5.4830 5.4830 9.3103 9.3103 10.0733 10.0733 11.9011 11.9011 12.3869 12.3869 k = 0.4310 0.4081-0.0000 ( 5970 PWs) bands (ev): -92.9553 -92.9553 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5642 -35.5642 -3.2159 -3.2159 -2.6243 -2.6243 1.5371 1.5371 2.5965 2.5965 3.2360 3.2360 3.3875 3.3875 4.4943 4.4943 5.3689 5.3689 9.2136 9.2136 10.2258 10.2258 12.0731 12.0731 12.4798 12.4798 k = 0.4253 0.4181-0.0000 ( 5970 PWs) bands (ev): -92.9553 -92.9553 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5643 -35.5643 -3.1966 -3.1966 -2.6208 -2.6208 1.5540 1.5540 2.6161 2.6161 3.2624 3.2624 3.3007 3.3007 4.4915 4.4915 5.2531 5.2531 9.1110 9.1110 10.3953 10.3953 12.2514 12.2514 12.5702 12.5702 k = 0.4195 0.4280-0.0000 ( 5966 PWs) bands (ev): -92.9553 -92.9553 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5643 -35.5643 -3.1759 -3.1759 -2.6177 -2.6177 1.5714 1.5714 2.6366 2.6366 3.2103 3.2103 3.2965 3.2965 4.4867 4.4867 5.1366 5.1366 9.0076 9.0076 10.5763 10.5763 12.4346 12.4346 12.6580 12.6580 k = 0.4138 0.4380-0.0000 ( 5966 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5643 -35.5643 -3.1540 -3.1540 -2.6153 -2.6153 1.5889 1.5889 2.6578 2.6578 3.1268 3.1268 3.3287 3.3287 4.4797 4.4797 5.0203 5.0203 8.9061 8.9061 10.7661 10.7661 12.6209 12.6209 12.7434 12.7434 k = 0.4080 0.4479-0.0000 ( 5962 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5643 -35.5643 -3.1309 -3.1309 -2.6137 -2.6137 1.6061 1.6061 2.6795 2.6795 3.0468 3.0468 3.3636 3.3636 4.4702 4.4702 4.9051 4.9051 8.8081 8.8081 10.9626 10.9626 12.8062 12.8062 12.8272 12.8272 k = 0.4023 0.4579-0.0000 ( 5962 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5643 -35.5643 -3.1067 -3.1067 -2.6132 -2.6132 1.6227 1.6227 2.7014 2.7014 2.9717 2.9717 3.4008 3.4008 4.4579 4.4579 4.7919 4.7919 8.7145 8.7145 11.1645 11.1645 12.9079 12.9079 12.9751 12.9751 k = 0.3966 0.4679-0.0000 ( 5950 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5643 -35.5643 -3.0814 -3.0814 -2.6138 -2.6138 1.6382 1.6382 2.7229 2.7229 2.9026 2.9026 3.4401 3.4401 4.4425 4.4425 4.6816 4.6816 8.6262 8.6262 11.3705 11.3705 12.9882 12.9882 13.0657 13.0657 k = 0.3908 0.4778-0.0000 ( 5950 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5643 -35.5643 -3.0551 -3.0551 -2.6160 -2.6160 1.6521 1.6521 2.7435 2.7435 2.8409 2.8409 3.4817 3.4817 4.4237 4.4237 4.5752 4.5752 8.5440 8.5440 11.5792 11.5792 13.0675 13.0675 13.1075 13.1075 k = 0.3851 0.4878-0.0000 ( 5958 PWs) bands (ev): -92.9552 -92.9552 -92.9549 -92.9549 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -3.0280 -3.0280 -2.6198 -2.6198 1.6638 1.6638 2.7608 2.7608 2.7892 2.7892 3.5254 3.5254 4.4008 4.4008 4.4740 4.4740 8.4683 8.4683 11.7891 11.7891 13.1383 13.1383 13.1485 13.1485 k = 0.3793 0.4977-0.0000 ( 5952 PWs) bands (ev): -92.9552 -92.9552 -92.9549 -92.9549 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -3.0001 -3.0001 -2.6255 -2.6255 1.6730 1.6730 2.7392 2.7392 2.7833 2.7833 3.5713 3.5713 4.3666 4.3666 4.3861 4.3861 8.3997 8.3997 11.9983 11.9983 13.1680 13.1680 13.2276 13.2276 k = 0.3736 0.5077-0.0000 ( 5950 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.9715 -2.9715 -2.6333 -2.6333 1.6793 1.6793 2.7051 2.7051 2.7969 2.7969 3.6193 3.6193 4.2864 4.2864 4.3474 4.3474 8.3386 8.3386 12.2042 12.2042 13.1934 13.1934 13.3095 13.3095 k = 0.3678 0.5176-0.0000 ( 5950 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.9423 -2.9423 -2.6435 -2.6435 1.6826 1.6826 2.6805 2.6805 2.8072 2.8072 3.6694 3.6694 4.2068 4.2068 4.3122 4.3122 8.2852 8.2852 12.4036 12.4036 13.2148 13.2148 13.3946 13.3946 k = 0.3621 0.5276-0.0000 ( 5954 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.9128 -2.9128 -2.6562 -2.6562 1.6831 1.6831 2.6663 2.6663 2.8126 2.8126 3.7215 3.7215 4.1365 4.1365 4.2731 4.2731 8.2400 8.2400 12.5917 12.5917 13.2308 13.2308 13.4836 13.4836 k = 0.3563 0.5375-0.0000 ( 5966 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.8829 -2.8829 -2.6716 -2.6716 1.6814 1.6814 2.6622 2.6622 2.8120 2.8120 3.7757 3.7757 4.0773 4.0773 4.2298 4.2298 8.2029 8.2029 12.7631 12.7631 13.2400 13.2400 13.5759 13.5759 k = 0.3506 0.5475-0.0000 ( 5970 PWs) bands (ev): -92.9551 -92.9551 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.8529 -2.8529 -2.6899 -2.6899 1.6783 1.6783 2.6678 2.6678 2.8043 2.8043 3.8318 3.8318 4.0306 4.0306 4.1821 4.1821 8.1742 8.1742 12.9114 12.9114 13.2404 13.2404 13.6659 13.6659 k = 0.3448 0.5574-0.0000 ( 5964 PWs) bands (ev): -92.9551 -92.9551 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.8229 -2.8229 -2.7113 -2.7113 1.6747 1.6747 2.6823 2.6823 2.7890 2.7890 3.8898 3.8898 3.9971 3.9971 4.1301 4.1301 8.1539 8.1539 13.0315 13.0315 13.2304 13.2304 13.7404 13.7404 k = 0.3391 0.5674-0.0000 ( 5956 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7930 -2.7930 -2.7358 -2.7358 1.6719 1.6719 2.7045 2.7045 2.7666 2.7666 3.9480 3.9480 3.9786 3.9786 4.0740 4.0740 8.1418 8.1418 13.1201 13.1201 13.2091 13.2091 13.7868 13.7868 k = 0.3333 0.5774-0.0000 ( 5952 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7635 -2.7635 -2.7635 -2.7635 1.6707 1.6707 2.7270 2.7270 2.7439 2.7439 3.9666 3.9666 4.0141 4.0141 4.0146 4.0146 8.1378 8.1378 13.1731 13.1731 13.1785 13.1785 13.8106 13.8106 k = 0.3333 0.5774-0.0000 ( 5952 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7635 -2.7635 -2.7635 -2.7635 1.6707 1.6707 2.7270 2.7270 2.7439 2.7439 3.9666 3.9666 4.0141 4.0141 4.0146 4.0146 8.1378 8.1378 13.1731 13.1731 13.1785 13.1785 13.8106 13.8107 k = 0.3276 0.5674-0.0000 ( 5964 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7944 -2.7944 -2.7344 -2.7344 1.6721 1.6721 2.6987 2.6987 2.7725 2.7725 3.9481 3.9481 3.9748 3.9748 4.0775 4.0775 8.1417 8.1417 13.1313 13.1313 13.1985 13.1985 13.7912 13.7912 k = 0.3218 0.5574-0.0000 ( 5968 PWs) bands (ev): -92.9551 -92.9551 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.8285 -2.8285 -2.7061 -2.7061 1.6771 1.6771 2.6590 2.6590 2.8136 2.8136 3.8822 3.8822 3.9896 3.9896 4.1431 4.1431 8.1533 8.1533 13.0771 13.0771 13.1904 13.1904 13.7680 13.7680 k = 0.3161 0.5475-0.0000 ( 5964 PWs) bands (ev): -92.9551 -92.9551 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.8659 -2.8659 -2.6787 -2.6787 1.6861 1.6861 2.6162 2.6162 2.8597 2.8597 3.8122 3.8122 4.0149 4.0149 4.2105 4.2105 8.1723 8.1723 13.0145 13.0145 13.1567 13.1567 13.7393 13.7393 k = 0.3103 0.5375-0.0000 ( 5968 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.9063 -2.9063 -2.6524 -2.6524 1.6996 1.6996 2.5720 2.5720 2.9100 2.9100 3.7396 3.7396 4.0485 4.0485 4.2798 4.2798 8.1983 8.1983 12.9451 12.9451 13.1036 13.1036 13.7038 13.7038 k = 0.3046 0.5276-0.0000 ( 5964 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.9498 -2.9498 -2.6274 -2.6274 1.7182 1.7182 2.5279 2.5279 2.9638 2.9638 3.6649 3.6649 4.0893 4.0893 4.3507 4.3507 8.2312 8.2312 12.8706 12.8706 13.0367 13.0367 13.6611 13.6611 k = 0.2989 0.5176-0.0000 ( 5952 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.9961 -2.9961 -2.6039 -2.6039 1.7419 1.7419 2.4852 2.4852 3.0203 3.0203 3.5889 3.5889 4.1361 4.1361 4.4233 4.4233 8.2704 8.2704 12.7921 12.7921 12.9601 12.9601 13.6115 13.6115 k = 0.2931 0.5077-0.0000 ( 5950 PWs) bands (ev): -92.9552 -92.9552 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5644 -35.5644 -3.0450 -3.0450 -2.5821 -2.5821 1.7709 1.7709 2.4448 2.4448 3.0783 3.0783 3.5128 3.5128 4.1883 4.1883 4.4974 4.4974 8.3158 8.3158 12.7109 12.7109 12.8768 12.8768 13.5559 13.5559 k = 0.2874 0.4977-0.0000 ( 5952 PWs) bands (ev): -92.9552 -92.9552 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5644 -35.5644 -3.0964 -3.0964 -2.5622 -2.5622 1.8053 1.8053 2.4077 2.4077 3.1351 3.1351 3.4395 3.4395 4.2450 4.2450 4.5729 4.5729 8.3668 8.3668 12.6277 12.6277 12.7891 12.7891 13.4905 13.4905 k = 0.2816 0.4878-0.0000 ( 5956 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5644 -35.5644 -3.1501 -3.1501 -2.5444 -2.5444 1.8450 1.8450 2.3746 2.3746 3.1813 3.1813 3.3783 3.3783 4.3057 4.3057 4.6498 4.6498 8.4232 8.4232 12.5434 12.5434 12.6984 12.6984 13.3873 13.3873 k = 0.2759 0.4778-0.0000 ( 5960 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5643 -35.5643 -3.2058 -3.2058 -2.5289 -2.5289 1.8900 1.8900 2.3461 2.3461 3.1857 3.1857 3.3607 3.3607 4.3700 4.3700 4.7280 4.7280 8.4847 8.4847 12.4586 12.4586 12.6060 12.6060 13.2847 13.2847 k = 0.2701 0.4679-0.0000 ( 5956 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5694 -35.5694 -35.5643 -35.5643 -3.2633 -3.2633 -2.5157 -2.5157 1.9401 1.9401 2.3228 2.3228 3.1344 3.1344 3.4007 3.4007 4.4374 4.4374 4.8074 4.8074 8.5510 8.5510 12.3739 12.3739 12.5128 12.5128 13.1836 13.1836 k = 0.2644 0.4579-0.0000 ( 5956 PWs) bands (ev): -92.9553 -92.9553 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5694 -35.5694 -35.5643 -35.5643 -3.3224 -3.3224 -2.5052 -2.5052 1.9950 1.9950 2.3050 2.3050 3.0617 3.0617 3.4641 3.4641 4.5078 4.5078 4.8879 4.8879 8.6216 8.6216 12.2898 12.2898 12.4194 12.4194 13.0839 13.0839 k = 0.2586 0.4479-0.0000 ( 5954 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5694 -35.5694 -35.5643 -35.5643 -3.3829 -3.3829 -2.4973 -2.4973 2.0544 2.0544 2.2931 2.2931 2.9833 2.9833 3.5358 3.5358 4.5808 4.5808 4.9693 4.9693 8.6964 8.6964 12.2066 12.2066 12.3266 12.3266 12.9859 12.9859 k = 0.2529 0.4380-0.0000 ( 5952 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5693 -35.5693 -35.5643 -35.5643 -3.4444 -3.4444 -2.4922 -2.4922 2.1180 2.1180 2.2874 2.2874 2.9034 2.9034 3.6116 3.6116 4.6561 4.6561 5.0516 5.0516 8.7750 8.7750 12.1247 12.1247 12.2347 12.2347 12.8898 12.8898 k = 0.2471 0.4280-0.0000 ( 5954 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5693 -35.5693 -35.5643 -35.5643 -3.5068 -3.5068 -2.4898 -2.4898 2.1848 2.1848 2.2880 2.2880 2.8242 2.8242 3.6903 3.6903 4.7337 4.7337 5.1346 5.1346 8.8570 8.8570 12.0444 12.0444 12.1441 12.1441 12.7955 12.7955 k = 0.2414 0.4181-0.0000 ( 5952 PWs) bands (ev): -92.9554 -92.9554 -92.9547 -92.9547 -68.9003 -68.9003 -35.8552 -35.8552 -35.5692 -35.5692 -35.5643 -35.5643 -3.5699 -3.5699 -2.4903 -2.4903 2.2531 2.2531 2.2954 2.2954 2.7476 2.7476 3.7713 3.7713 4.8133 4.8133 5.2182 5.2182 8.9423 8.9423 11.9659 11.9659 12.0552 12.0552 12.7033 12.7033 k = 0.2356 0.4081-0.0000 ( 5948 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8552 -35.8552 -35.5691 -35.5691 -35.5642 -35.5642 -3.6334 -3.6334 -2.4936 -2.4936 2.3070 2.3070 2.3218 2.3218 2.6776 2.6776 3.8543 3.8543 4.8947 4.8947 5.3022 5.3022 9.0304 9.0304 11.8895 11.8895 11.9683 11.9683 12.6133 12.6133 k = 0.2299 0.3982-0.0000 ( 5952 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8551 -35.8551 -35.5691 -35.5691 -35.5642 -35.5642 -3.6972 -3.6972 -2.4997 -2.4997 2.3282 2.3282 2.3740 2.3740 2.6258 2.6258 3.9390 3.9390 4.9779 4.9779 5.3866 5.3866 9.1210 9.1210 11.8153 11.8153 11.8836 11.8836 12.5256 12.5256 k = 0.2241 0.3882-0.0000 ( 5958 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8551 -35.8551 -35.5690 -35.5690 -35.5642 -35.5642 -3.7610 -3.7610 -2.5084 -2.5084 2.3540 2.3540 2.3863 2.3863 2.6205 2.6205 4.0252 4.0252 5.0626 5.0626 5.4710 5.4710 9.2138 9.2138 11.7435 11.7435 11.8013 11.8013 12.4405 12.4405 k = 0.2184 0.3783-0.0000 ( 5958 PWs) bands (ev): -92.9555 -92.9555 -92.9546 -92.9546 -68.9003 -68.9003 -35.8551 -35.8551 -35.5689 -35.5689 -35.5642 -35.5642 -3.8248 -3.8248 -2.5198 -2.5198 2.3433 2.3433 2.3906 2.3906 2.6710 2.6710 4.1129 4.1129 5.1487 5.1487 5.5553 5.5553 9.3084 9.3084 11.6743 11.6743 11.7216 11.7216 12.3582 12.3582 k = 0.2126 0.3683-0.0000 ( 5962 PWs) bands (ev): -92.9555 -92.9555 -92.9546 -92.9546 -68.9003 -68.9003 -35.8550 -35.8550 -35.5689 -35.5689 -35.5642 -35.5642 -3.8882 -3.8882 -2.5335 -2.5335 2.2812 2.2812 2.4294 2.4294 2.7493 2.7493 4.2019 4.2019 5.2361 5.2361 5.6394 5.6394 9.4044 9.4044 11.6077 11.6077 11.6447 11.6447 12.2790 12.2790 k = 0.2069 0.3584-0.0000 ( 5970 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8550 -35.8550 -35.5688 -35.5688 -35.5642 -35.5642 -3.9513 -3.9513 -2.5496 -2.5496 2.2111 2.2111 2.4753 2.4753 2.8395 2.8395 4.2920 4.2920 5.3247 5.3247 5.7230 5.7230 9.5012 9.5012 11.5440 11.5440 11.5707 11.5707 12.2031 12.2031 k = 0.2011 0.3484-0.0000 ( 5972 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8549 -35.8549 -35.5687 -35.5687 -35.5642 -35.5642 -4.0137 -4.0137 -2.5678 -2.5678 2.1388 2.1388 2.5273 2.5273 2.9363 2.9363 4.3833 4.3833 5.4143 5.4143 5.8059 5.8059 9.5984 9.5984 11.4831 11.4831 11.4998 11.4998 12.1311 12.1311 k = 0.1954 0.3384-0.0000 ( 5958 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8549 -35.8549 -35.5686 -35.5686 -35.5642 -35.5642 -4.0755 -4.0755 -2.5879 -2.5879 2.0663 2.0663 2.5854 2.5854 3.0377 3.0377 4.4756 4.4756 5.5048 5.5048 5.8880 5.8880 9.6953 9.6953 11.4250 11.4250 11.4321 11.4321 12.0632 12.0632 k = 0.1897 0.3285-0.0000 ( 5962 PWs) bands (ev): -92.9556 -92.9556 -92.9545 -92.9545 -68.9003 -68.9003 -35.8548 -35.8548 -35.5685 -35.5685 -35.5641 -35.5641 -4.1365 -4.1365 -2.6097 -2.6097 1.9943 1.9943 2.6492 2.6492 3.1427 3.1427 4.5689 4.5689 5.5960 5.5960 5.9689 5.9689 9.7911 9.7911 11.3664 11.3664 11.3711 11.3711 12.0002 12.0002 k = 0.1839 0.3185-0.0000 ( 5970 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8548 -35.8548 -35.5684 -35.5684 -35.5641 -35.5641 -4.1965 -4.1965 -2.6331 -2.6331 1.9233 1.9233 2.7185 2.7185 3.2507 3.2507 4.6630 4.6630 5.6878 5.6878 6.0484 6.0484 9.8852 9.8852 11.3052 11.3052 11.3188 11.3188 11.9426 11.9426 k = 0.1782 0.3086-0.0000 ( 5974 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8547 -35.8547 -35.5683 -35.5683 -35.5641 -35.5641 -4.2554 -4.2554 -2.6578 -2.6578 1.8537 1.8537 2.7930 2.7930 3.3613 3.3613 4.7579 4.7579 5.7800 5.7800 6.1264 6.1264 9.9765 9.9765 11.2468 11.2468 11.2700 11.2700 11.8913 11.8913 k = 0.1724 0.2986-0.0000 ( 5968 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8547 -35.8547 -35.5682 -35.5682 -35.5641 -35.5641 -4.3132 -4.3132 -2.6836 -2.6836 1.7856 1.7856 2.8726 2.8726 3.4741 3.4741 4.8535 4.8535 5.8725 5.8725 6.2025 6.2025 10.0639 10.0639 11.1914 11.1914 11.2243 11.2243 11.8472 11.8472 k = 0.1667 0.2887-0.0000 ( 5968 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8546 -35.8546 -35.5681 -35.5681 -35.5641 -35.5641 -4.3698 -4.3698 -2.7104 -2.7104 1.7192 1.7192 2.9570 2.9570 3.5887 3.5887 4.9498 4.9498 5.9650 5.9650 6.2766 6.2766 10.1462 10.1462 11.1388 11.1388 11.1815 11.1815 11.8114 11.8114 k = 0.1609 0.2787-0.0000 ( 5964 PWs) bands (ev): -92.9557 -92.9557 -92.9544 -92.9544 -68.9003 -68.9003 -35.8545 -35.8545 -35.5680 -35.5680 -35.5641 -35.5641 -4.4250 -4.4250 -2.7378 -2.7378 1.6545 1.6545 3.0459 3.0459 3.7049 3.7049 5.0468 5.0468 6.0574 6.0574 6.3484 6.3484 10.2223 10.2223 11.0888 11.0888 11.1418 11.1418 11.7849 11.7849 k = 0.1552 0.2688-0.0000 ( 5962 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9003 -68.9003 -35.8545 -35.8545 -35.5679 -35.5679 -35.5641 -35.5641 -4.4789 -4.4789 -2.7658 -2.7658 1.5917 1.5917 3.1391 3.1391 3.8222 3.8222 5.1444 5.1444 6.1495 6.1495 6.4176 6.4176 10.2911 10.2911 11.0412 11.0412 11.1049 11.1049 11.7686 11.7686 k = 0.1494 0.2588-0.0000 ( 5962 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8544 -35.8544 -35.5678 -35.5678 -35.5640 -35.5640 -4.5312 -4.5312 -2.7942 -2.7942 1.5308 1.5308 3.2363 3.2363 3.9402 3.9402 5.2426 5.2426 6.2411 6.2411 6.4840 6.4840 10.3515 10.3515 10.9955 10.9955 11.0707 11.0707 11.7632 11.7632 k = 0.1437 0.2489-0.0000 ( 5954 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8544 -35.8544 -35.5677 -35.5677 -35.5640 -35.5640 -4.5821 -4.5821 -2.8227 -2.8227 1.4718 1.4718 3.3373 3.3373 4.0587 4.0587 5.3415 5.3415 6.3318 6.3318 6.5475 6.5475 10.4032 10.4032 10.9514 10.9514 11.0392 11.0392 11.7688 11.7688 k = 0.1379 0.2389-0.0000 ( 5954 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8543 -35.8543 -35.5676 -35.5676 -35.5640 -35.5640 -4.6313 -4.6313 -2.8512 -2.8512 1.4149 1.4149 3.4418 3.4418 4.1770 4.1770 5.4410 5.4410 6.4215 6.4215 6.6079 6.6079 10.4463 10.4463 10.9086 10.9086 11.0102 11.0102 11.7845 11.7845 k = 0.1322 0.2289-0.0000 ( 5962 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8543 -35.8543 -35.5675 -35.5675 -35.5640 -35.5640 -4.6789 -4.6789 -2.8796 -2.8796 1.3600 1.3600 3.5495 3.5495 4.2949 4.2949 5.5412 5.5412 6.5098 6.5098 6.6651 6.6651 10.4816 10.4816 10.8668 10.8668 10.9834 10.9834 11.8090 11.8090 k = 0.1264 0.2190-0.0000 ( 5966 PWs) bands (ev): -92.9558 -92.9558 -92.9543 -92.9543 -68.9004 -68.9004 -35.8542 -35.8542 -35.5674 -35.5674 -35.5640 -35.5640 -4.7247 -4.7247 -2.9077 -2.9077 1.3073 1.3073 3.6602 3.6602 4.4117 4.4117 5.6423 5.6423 6.5964 6.5964 6.7189 6.7189 10.5101 10.5101 10.8260 10.8260 10.9588 10.9588 11.8205 11.8205 k = 0.1207 0.2090-0.0000 ( 5964 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8541 -35.8541 -35.5673 -35.5673 -35.5640 -35.5640 -4.7688 -4.7688 -2.9354 -2.9354 1.2567 1.2567 3.7735 3.7735 4.5270 4.5270 5.7443 5.7443 6.6807 6.6807 6.7696 6.7696 10.5332 10.5332 10.7862 10.7862 10.9362 10.9362 11.7801 11.7801 k = 0.1149 0.1991-0.0000 ( 5960 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8541 -35.8541 -35.5672 -35.5672 -35.5640 -35.5640 -4.8111 -4.8111 -2.9625 -2.9625 1.2082 1.2082 3.8892 3.8892 4.6400 4.6400 5.8473 5.8473 6.7614 6.7614 6.8179 6.8179 10.5526 10.5526 10.7474 10.7474 10.9153 10.9153 11.7407 11.7407 k = 0.1092 0.1891-0.0000 ( 5960 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8540 -35.8540 -35.5671 -35.5671 -35.5640 -35.5640 -4.8516 -4.8516 -2.9889 -2.9889 1.1620 1.1620 4.0070 4.0070 4.7504 4.7504 5.9515 5.9515 6.8334 6.8334 6.8686 6.8686 10.5692 10.5692 10.7100 10.7100 10.8961 10.8961 11.7021 11.7021 k = 0.1034 0.1792-0.0000 ( 5964 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8540 -35.8540 -35.5670 -35.5670 -35.5640 -35.5640 -4.8902 -4.8902 -3.0145 -3.0145 1.1180 1.1180 4.1265 4.1265 4.8574 4.8574 6.0569 6.0569 6.8847 6.8847 6.9334 6.9334 10.5834 10.5834 10.6749 10.6749 10.8782 10.8782 11.6640 11.6640 k = 0.0977 0.1692-0.0000 ( 5964 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8539 -35.8539 -35.5669 -35.5669 -35.5640 -35.5640 -4.9268 -4.9268 -3.0392 -3.0392 1.0763 1.0763 4.2474 4.2474 4.9605 4.9605 6.1635 6.1635 6.9223 6.9223 7.0047 7.0047 10.5928 10.5928 10.6459 10.6459 10.8615 10.8615 11.6260 11.6260 k = 0.0920 0.1593-0.0000 ( 5960 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8539 -35.8539 -35.5668 -35.5668 -35.5639 -35.5639 -4.9616 -4.9616 -3.0630 -3.0630 1.0369 1.0369 4.3693 4.3693 5.0590 5.0590 6.2713 6.2713 6.9538 6.9538 7.0748 7.0748 10.5841 10.5841 10.6370 10.6370 10.8459 10.8459 11.5875 11.5875 k = 0.0862 0.1493-0.0000 ( 5956 PWs) bands (ev): -92.9559 -92.9559 -92.9542 -92.9542 -68.9004 -68.9004 -35.8538 -35.8538 -35.5667 -35.5667 -35.5639 -35.5639 -4.9943 -4.9943 -3.0857 -3.0857 0.9997 0.9997 4.4917 4.4917 5.1526 5.1526 6.3803 6.3803 6.9806 6.9806 7.1417 7.1417 10.5580 10.5580 10.6482 10.6482 10.8312 10.8312 11.5481 11.5481 k = 0.0805 0.1394-0.0000 ( 5952 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8538 -35.8538 -35.5666 -35.5666 -35.5639 -35.5639 -5.0251 -5.0251 -3.1073 -3.1073 0.9649 0.9649 4.6143 4.6143 5.2407 5.2407 6.4901 6.4901 7.0032 7.0032 7.2047 7.2047 10.5286 10.5286 10.6657 10.6657 10.8172 10.8172 11.5068 11.5068 k = 0.0747 0.1294-0.0000 ( 5944 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8537 -35.8537 -35.5665 -35.5665 -35.5639 -35.5639 -5.0538 -5.0538 -3.1276 -3.1276 0.9324 0.9324 4.7365 4.7365 5.3230 5.3230 6.6004 6.6004 7.0216 7.0216 7.2634 7.2634 10.4998 10.4998 10.6860 10.6860 10.8037 10.8037 11.4630 11.4630 k = 0.0690 0.1195-0.0000 ( 5940 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8537 -35.8537 -35.5665 -35.5665 -35.5639 -35.5639 -5.0805 -5.0805 -3.1467 -3.1467 0.9023 0.9023 4.8576 4.8576 5.3993 5.3993 6.7104 6.7104 7.0360 7.0360 7.3175 7.3175 10.4723 10.4723 10.7085 10.7085 10.7907 10.7907 11.4161 11.4161 k = 0.0632 0.1095-0.0000 ( 5936 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8536 -35.8536 -35.5664 -35.5664 -35.5639 -35.5639 -5.1051 -5.1051 -3.1645 -3.1645 0.8745 0.8745 4.9771 4.9771 5.4694 5.4694 6.8194 6.8194 7.0466 7.0466 7.3666 7.3666 10.4466 10.4466 10.7326 10.7326 10.7779 10.7779 11.3656 11.3656 k = 0.0575 0.0995-0.0000 ( 5935 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8536 -35.8536 -35.5663 -35.5663 -35.5638 -35.5638 -5.1276 -5.1276 -3.1809 -3.1809 0.8491 0.8491 5.0940 5.0940 5.5331 5.5331 6.9258 6.9258 7.0539 7.0539 7.4107 7.4107 10.4227 10.4227 10.7581 10.7581 10.7651 10.7651 11.3119 11.3119 k = 0.0517 0.0896-0.0000 ( 5931 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8536 -35.8536 -35.5663 -35.5663 -35.5638 -35.5638 -5.1481 -5.1481 -3.1958 -3.1958 0.8261 0.8261 5.2076 5.2076 5.5904 5.5904 7.0216 7.0216 7.0651 7.0651 7.4497 7.4497 10.4008 10.4008 10.7521 10.7521 10.7847 10.7847 11.2560 11.2560 k = 0.0460 0.0796-0.0000 ( 5931 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5662 -35.5662 -35.5638 -35.5638 -5.1664 -5.1664 -3.2093 -3.2093 0.8055 0.8055 5.3166 5.3166 5.6415 5.6415 7.0469 7.0469 7.1386 7.1386 7.4836 7.4836 10.3810 10.3810 10.7386 10.7386 10.8117 10.8117 11.1997 11.1997 k = 0.0402 0.0697-0.0000 ( 5927 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5662 -35.5662 -35.5638 -35.5638 -5.1826 -5.1826 -3.2213 -3.2213 0.7873 0.7873 5.4199 5.4199 5.6863 5.6863 7.0440 7.0440 7.2312 7.2312 7.5125 7.5125 10.3634 10.3634 10.7246 10.7246 10.8385 10.8385 11.1455 11.1455 k = 0.0345 0.0597-0.0000 ( 5923 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5661 -35.5661 -35.5638 -35.5638 -5.1966 -5.1966 -3.2317 -3.2317 0.7715 0.7715 5.5159 5.5159 5.7250 5.7250 7.0365 7.0365 7.3178 7.3178 7.5367 7.5367 10.3479 10.3479 10.7100 10.7100 10.8645 10.8645 11.0956 11.0956 k = 0.0287 0.0498-0.0000 ( 5915 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -5.2085 -5.2085 -3.2406 -3.2406 0.7582 0.7582 5.6027 5.6027 5.7577 5.7577 7.0263 7.0263 7.3954 7.3954 7.5566 7.5566 10.3347 10.3347 10.6950 10.6950 10.8889 10.8889 11.0521 11.0521 k = 0.0230 0.0398-0.0000 ( 5913 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.2183 -5.2183 -3.2479 -3.2479 0.7472 0.7472 5.6782 5.6782 5.7846 5.7846 7.0147 7.0147 7.4616 7.4616 7.5729 7.5729 10.3238 10.3238 10.6802 10.6802 10.9108 10.9108 11.0165 11.0165 k = 0.0172 0.0299-0.0000 ( 5917 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.2259 -5.2259 -3.2535 -3.2535 0.7387 0.7387 5.7396 5.7396 5.8063 5.8063 7.0032 7.0032 7.5139 7.5139 7.5867 7.5867 10.3152 10.3152 10.6667 10.6667 10.9293 10.9293 10.9891 10.9891 k = 0.0115 0.0199-0.0000 ( 5909 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.2313 -5.2313 -3.2576 -3.2576 0.7326 0.7326 5.7838 5.7838 5.8238 5.8238 6.9932 6.9932 7.5495 7.5495 7.5993 7.5993 10.3090 10.3090 10.6558 10.6558 10.9433 10.9433 10.9701 10.9701 k = 0.0057 0.0100-0.0000 ( 5909 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.2346 -5.2346 -3.2601 -3.2601 0.7290 0.7290 5.8078 5.8078 5.8379 5.8379 6.9864 6.9864 7.5678 7.5678 7.6104 7.6104 10.3053 10.3053 10.6486 10.6486 10.9520 10.9520 10.9591 10.9591 k = 0.0000 0.0000 0.0000 ( 5901 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5659 -35.5659 -35.5638 -35.5638 -5.2356 -5.2356 -3.2609 -3.2609 0.7278 0.7278 5.8145 5.8145 5.8439 5.8439 6.9840 6.9840 7.5729 7.5729 7.6151 7.6151 10.3041 10.3041 10.6462 10.6462 10.9541 10.9541 10.9564 10.9564 k = 0.0000 0.0000 0.0000 ( 5901 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5659 -35.5659 -35.5638 -35.5638 -5.2356 -5.2356 -3.2609 -3.2609 0.7278 0.7278 5.8145 5.8145 5.8439 5.8439 6.9840 6.9840 7.5729 7.5729 7.6151 7.6151 10.3041 10.3041 10.6462 10.6462 10.9541 10.9541 10.9564 10.9564 k = 0.0000 0.0000 0.0113 ( 5883 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8533 -35.8533 -35.5659 -35.5659 -35.5637 -35.5637 -5.2348 -5.2348 -3.2636 -3.2636 0.7328 0.7328 5.8150 5.8150 5.8444 5.8444 6.9722 6.9722 7.5720 7.5720 7.6142 7.6142 10.3119 10.3119 10.6478 10.6478 10.9539 10.9539 10.9563 10.9563 k = 0.0000 0.0000 0.0226 ( 5889 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5659 -35.5659 -35.5637 -35.5637 -5.2321 -5.2321 -3.2717 -3.2717 0.7478 0.7478 5.8164 5.8164 5.8458 5.8458 6.9370 6.9370 7.5691 7.5691 7.6114 7.6114 10.3343 10.3343 10.6530 10.6530 10.9536 10.9536 10.9560 10.9560 k = 0.0000 0.0000 0.0338 ( 5889 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5659 -35.5659 -35.5637 -35.5637 -5.2277 -5.2277 -3.2851 -3.2851 0.7726 0.7726 5.8187 5.8187 5.8481 5.8481 6.8801 6.8801 7.5645 7.5645 7.6068 7.6068 10.3688 10.3688 10.6624 10.6624 10.9531 10.9531 10.9556 10.9556 k = 0.0000 0.0000 0.0451 ( 5889 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5659 -35.5659 -35.5637 -35.5637 -5.2216 -5.2216 -3.3034 -3.3034 0.8070 0.8070 5.8220 5.8220 5.8514 5.8514 6.8033 6.8033 7.5580 7.5580 7.6004 7.6004 10.4112 10.4112 10.6773 10.6773 10.9526 10.9526 10.9552 10.9552 k = 0.0000 0.0000 0.0564 ( 5901 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5637 -35.5637 -5.2137 -5.2137 -3.3265 -3.3265 0.8506 0.8506 5.8261 5.8261 5.8555 5.8555 6.7092 6.7092 7.5499 7.5499 7.5924 7.5924 10.4560 10.4560 10.6996 10.6996 10.9523 10.9523 10.9549 10.9549 k = 0.0000 0.0000 0.0677 ( 5919 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.2042 -5.2042 -3.3538 -3.3538 0.9032 0.9032 5.8310 5.8310 5.8604 5.8604 6.6002 6.6002 7.5403 7.5403 7.5828 7.5828 10.4975 10.4975 10.7310 10.7310 10.9523 10.9523 10.9549 10.9549 k = 0.0000 0.0000 0.0790 ( 5937 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.1931 -5.1931 -3.3851 -3.3851 0.9641 0.9641 5.8367 5.8367 5.8662 5.8662 6.4788 6.4788 7.5292 7.5292 7.5717 7.5717 10.5318 10.5318 10.7711 10.7711 10.9527 10.9527 10.9555 10.9555 k = 0.0000 0.0000 0.0903 ( 5937 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.1803 -5.1803 -3.4197 -3.4197 1.0330 1.0330 5.8431 5.8431 5.8726 5.8726 6.3473 6.3473 7.5168 7.5168 7.5593 7.5593 10.5586 10.5586 10.8165 10.8165 10.9539 10.9539 10.9568 10.9568 k = 0.0000 0.0000 0.1015 ( 5950 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.1661 -5.1661 -3.4572 -3.4572 1.1094 1.1094 5.8502 5.8502 5.8797 5.8797 6.2075 6.2075 7.5033 7.5033 7.5457 7.5457 10.5798 10.5798 10.8619 10.8619 10.9559 10.9559 10.9589 10.9589 k = 0.0000 0.0000 0.1128 ( 5962 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5661 -35.5661 -35.5638 -35.5638 -5.1504 -5.1504 -3.4971 -3.4971 1.1927 1.1927 5.8578 5.8578 5.8874 5.8874 6.0613 6.0613 7.4888 7.4888 7.5311 7.5311 10.5974 10.5974 10.9029 10.9029 10.9591 10.9591 10.9622 10.9622 k = 0.0000 0.0000 0.1241 ( 5962 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5661 -35.5661 -35.5638 -35.5638 -5.1333 -5.1333 -3.5389 -3.5389 1.2825 1.2825 5.8656 5.8656 5.8956 5.8956 5.9105 5.9105 7.4736 7.4736 7.5157 7.5157 10.6130 10.6130 10.9367 10.9367 10.9635 10.9635 10.9666 10.9666 k = 0.0000 0.0000 0.1354 ( 5968 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5661 -35.5661 -35.5638 -35.5638 -5.1150 -5.1150 -3.5821 -3.5821 1.3781 1.3781 5.7548 5.7548 5.8748 5.8748 5.9042 5.9042 7.4577 7.4577 7.4997 7.4997 10.6276 10.6276 10.9621 10.9621 10.9693 10.9693 10.9725 10.9725 k = 0.0000 0.0000 0.1467 ( 5956 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -5.0956 -5.0956 -3.6262 -3.6262 1.4791 1.4791 5.5974 5.5974 5.8835 5.8835 5.9130 5.9130 7.4415 7.4415 7.4833 7.4833 10.6419 10.6419 10.9759 10.9759 10.9797 10.9797 10.9802 10.9802 k = 0.0000 0.0000 0.1579 ( 5956 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -5.0752 -5.0752 -3.6707 -3.6707 1.5849 1.5849 5.4382 5.4382 5.8925 5.8925 5.9220 5.9220 7.4251 7.4251 7.4668 7.4668 10.6560 10.6560 10.9847 10.9847 10.9885 10.9885 10.9902 10.9902 k = 0.0000 0.0000 0.1692 ( 5950 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -5.0541 -5.0541 -3.7151 -3.7151 1.6949 1.6949 5.2783 5.2783 5.9015 5.9015 5.9311 5.9311 7.4088 7.4088 7.4504 7.4504 10.6704 10.6704 10.9932 10.9932 10.9960 10.9960 10.9989 10.9989 k = 0.0000 0.0000 0.1805 ( 5938 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5660 -35.5660 -35.5638 -35.5638 -5.0325 -5.0325 -3.7588 -3.7588 1.8085 1.8085 5.1187 5.1187 5.9104 5.9104 5.9401 5.9401 7.3929 7.3929 7.4343 7.4343 10.6851 10.6851 10.9927 10.9927 11.0073 11.0073 11.0108 11.0108 k = 0.0000 0.0000 0.1918 ( 5956 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5661 -35.5661 -35.5638 -35.5638 -5.0107 -5.0107 -3.8013 -3.8013 1.9250 1.9250 4.9601 4.9601 5.9191 5.9191 5.9488 5.9488 7.3775 7.3775 7.4187 7.4187 10.7001 10.7001 10.9874 10.9874 11.0205 11.0205 11.0241 11.0241 k = 0.0000 0.0000 0.2031 ( 5962 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5661 -35.5661 -35.5638 -35.5638 -4.9890 -4.9890 -3.8422 -3.8422 2.0434 2.0434 4.8038 4.8038 5.9274 5.9274 5.9571 5.9571 7.3629 7.3629 7.4040 7.4040 10.7156 10.7156 10.9789 10.9789 11.0353 11.0353 11.0388 11.0388 k = 0.0000 0.0000 0.2143 ( 5962 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5661 -35.5661 -35.5638 -35.5638 -4.9678 -4.9678 -3.8806 -3.8806 2.1627 2.1627 4.6508 4.6508 5.9352 5.9352 5.9649 5.9649 7.3494 7.3494 7.3903 7.3903 10.7315 10.7315 10.9677 10.9677 11.0512 11.0512 11.0547 11.0547 k = 0.0000 0.0000 0.2256 ( 5950 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.9475 -4.9475 -3.9161 -3.9161 2.2815 2.2815 4.5027 4.5027 5.9423 5.9423 5.9721 5.9721 7.3371 7.3371 7.3779 7.3779 10.7479 10.7479 10.9545 10.9545 11.0681 11.0681 11.0714 11.0714 k = 0.0000 0.0000 0.2369 ( 5944 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.9289 -4.9289 -3.9480 -3.9480 2.3975 2.3975 4.3618 4.3618 5.9486 5.9486 5.9784 5.9784 7.3263 7.3263 7.3670 7.3670 10.7647 10.7647 10.9398 10.9398 11.0855 11.0855 11.0886 11.0886 k = 0.0000 0.0000 0.2482 ( 5944 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.9123 -4.9123 -3.9754 -3.9754 2.5078 2.5078 4.2311 4.2311 5.9540 5.9540 5.9838 5.9838 7.3172 7.3172 7.3578 7.3578 10.7818 10.7818 10.9240 10.9240 11.1028 11.1028 11.1055 11.1055 k = 0.0000 0.0000 0.2595 ( 5944 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8986 -4.8986 -3.9978 -3.9978 2.6076 2.6076 4.1154 4.1154 5.9583 5.9583 5.9881 5.9881 7.3099 7.3099 7.3505 7.3505 10.7992 10.7992 10.9073 10.9073 11.1189 11.1189 11.1213 11.1213 k = 0.0000 0.0000 0.2708 ( 5944 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8882 -4.8882 -4.0144 -4.0144 2.6899 2.6899 4.0217 4.0217 5.9614 5.9614 5.9912 5.9912 7.3046 7.3046 7.3451 7.3451 10.8167 10.8167 10.8902 10.8902 11.1325 11.1325 11.1345 11.1345 k = 0.0000 0.0000 0.2820 ( 5944 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8818 -4.8818 -4.0246 -4.0246 2.7456 2.7456 3.9592 3.9592 5.9633 5.9633 5.9931 5.9931 7.3014 7.3014 7.3419 7.3419 10.8339 10.8339 10.8732 10.8732 11.1419 11.1419 11.1435 11.1435 k = 0.0000 0.0000 0.2933 ( 5938 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8796 -4.8796 -4.0280 -4.0280 2.7656 2.7656 3.9369 3.9369 5.9639 5.9639 5.9938 5.9938 7.3003 7.3003 7.3408 7.3408 10.8458 10.8458 10.8613 10.8613 11.1453 11.1453 11.1467 11.1467 k = 0.0000 0.0000 0.2933 ( 5938 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8796 -4.8796 -4.0280 -4.0280 2.7656 2.7656 3.9369 3.9369 5.9639 5.9639 5.9938 5.9938 7.3003 7.3003 7.3408 7.3408 10.8458 10.8458 10.8613 10.8613 11.1453 11.1453 11.1467 11.1467 k = 0.0100 0.0058 0.2933 ( 5934 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8785 -4.8785 -4.0270 -4.0270 2.7666 2.7666 3.9362 3.9362 5.9599 5.9599 5.9898 5.9898 7.2939 7.2939 7.3350 7.3350 10.8530 10.8530 10.8650 10.8650 11.1444 11.1444 11.1499 11.1499 k = 0.0200 0.0115 0.2933 ( 5934 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8755 -4.8755 -4.0239 -4.0239 2.7696 2.7696 3.9339 3.9339 5.9474 5.9474 5.9785 5.9785 7.2712 7.2712 7.3215 7.3215 10.8730 10.8730 10.8761 10.8761 11.1409 11.1409 11.1615 11.1615 k = 0.0300 0.0173 0.2933 ( 5930 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8703 -4.8703 -4.0188 -4.0188 2.7745 2.7745 3.9300 3.9300 5.9252 5.9252 5.9615 5.9615 7.2277 7.2277 7.3058 7.3058 10.8904 10.8904 10.9042 10.9042 11.1380 11.1380 11.1809 11.1809 k = 0.0400 0.0231 0.2933 ( 5934 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8631 -4.8631 -4.0116 -4.0116 2.7815 2.7815 3.9243 3.9243 5.8931 5.8931 5.9402 5.9402 7.1647 7.1647 7.2881 7.2881 10.9073 10.9073 10.9353 10.9353 11.1430 11.1430 11.2085 11.2085 k = 0.0500 0.0289 0.2933 ( 5938 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5661 -35.5661 -35.5638 -35.5638 -4.8539 -4.8539 -4.0024 -4.0024 2.7904 2.7904 3.9164 3.9164 5.8518 5.8518 5.9150 5.9150 7.0853 7.0853 7.2675 7.2675 10.9211 10.9211 10.9528 10.9528 11.1685 11.1685 11.2442 11.2442 k = 0.0600 0.0346 0.2933 ( 5950 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5662 -35.5662 -35.5638 -35.5638 -4.8426 -4.8426 -3.9912 -3.9912 2.8013 2.8013 3.9061 3.9061 5.8030 5.8030 5.8858 5.8858 6.9920 6.9920 7.2434 7.2434 10.9265 10.9265 10.9482 10.9482 11.2219 11.2219 11.2881 11.2881 k = 0.0700 0.0404 0.2933 ( 5944 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5662 -35.5662 -35.5638 -35.5638 -4.8293 -4.8293 -3.9780 -3.9780 2.8141 2.8141 3.8929 3.8929 5.7483 5.7483 5.8528 5.8528 6.8869 6.8869 7.2158 7.2158 10.9155 10.9155 10.9298 10.9298 11.2968 11.2968 11.3403 11.3403 k = 0.0800 0.0462 0.2933 ( 5940 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5663 -35.5663 -35.5638 -35.5638 -4.8139 -4.8139 -3.9628 -3.9628 2.8288 2.8288 3.8763 3.8763 5.6891 5.6891 5.8161 5.8161 6.7719 6.7719 7.1850 7.1850 10.8821 10.8821 10.9097 10.9097 11.3842 11.3842 11.4008 11.4008 k = 0.0900 0.0520 0.2933 ( 5934 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8536 -35.8536 -35.5663 -35.5663 -35.5638 -35.5638 -4.7966 -4.7966 -3.9457 -3.9457 2.8454 2.8454 3.8556 3.8556 5.6272 5.6272 5.7762 5.7762 6.6489 6.6489 7.1510 7.1510 10.8373 10.8373 10.8824 10.8824 11.4681 11.4681 11.4769 11.4769 k = 0.1000 0.0577 0.2933 ( 5930 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8536 -35.8536 -35.5663 -35.5663 -35.5638 -35.5638 -4.7773 -4.7773 -3.9266 -3.9266 2.8638 2.8638 3.8302 3.8302 5.5640 5.5640 5.7335 5.7335 6.5193 6.5193 7.1143 7.1143 10.7856 10.7856 10.8477 10.8477 11.5439 11.5439 11.5621 11.5621 k = 0.1100 0.0635 0.2933 ( 5936 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8536 -35.8536 -35.5664 -35.5664 -35.5638 -35.5638 -4.7559 -4.7559 -3.9056 -3.9056 2.8841 2.8841 3.7994 3.7994 5.5012 5.5012 5.6882 5.6882 6.3845 6.3845 7.0750 7.0750 10.7289 10.7289 10.8075 10.8075 11.6260 11.6260 11.6348 11.6348 k = 0.1200 0.0693 0.2933 ( 5930 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8537 -35.8537 -35.5665 -35.5665 -35.5638 -35.5638 -4.7327 -4.7327 -3.8828 -3.8828 2.9060 2.9060 3.7625 3.7625 5.4401 5.4401 5.6408 5.6408 6.2457 6.2457 7.0336 7.0336 10.6685 10.6685 10.7633 10.7633 11.6952 11.6952 11.7160 11.7160 k = 0.1300 0.0751 0.2933 ( 5930 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8537 -35.8537 -35.5665 -35.5665 -35.5638 -35.5638 -4.7075 -4.7075 -3.8582 -3.8582 2.9296 2.9296 3.7189 3.7189 5.3818 5.3818 5.5916 5.5916 6.1042 6.1042 6.9903 6.9903 10.6053 10.6053 10.7160 10.7160 11.7461 11.7461 11.8105 11.8105 k = 0.1400 0.0808 0.2933 ( 5930 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8537 -35.8537 -35.5666 -35.5666 -35.5639 -35.5639 -4.6803 -4.6803 -3.8317 -3.8317 2.9548 2.9548 3.6680 3.6680 5.3272 5.3272 5.5410 5.5410 5.9613 5.9613 6.9454 6.9454 10.5400 10.5400 10.6667 10.6667 11.7835 11.7835 11.9099 11.9099 k = 0.1500 0.0866 0.2933 ( 5938 PWs) bands (ev): -92.9559 -92.9559 -92.9542 -92.9542 -68.9004 -68.9004 -35.8538 -35.8538 -35.5667 -35.5667 -35.5639 -35.5639 -4.6513 -4.6513 -3.8036 -3.8036 2.9815 2.9815 3.6097 3.6097 5.2764 5.2764 5.4893 5.4893 5.8183 5.8183 6.8993 6.8993 10.4733 10.4733 10.6158 10.6158 11.8051 11.8051 12.0132 12.0132 k = 0.1600 0.0924 0.2933 ( 5938 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8538 -35.8538 -35.5668 -35.5668 -35.5639 -35.5639 -4.6204 -4.6204 -3.7737 -3.7737 3.0095 3.0095 3.5439 3.5439 5.2286 5.2286 5.4368 5.4368 5.6776 5.6776 6.8522 6.8522 10.4058 10.4058 10.5640 10.5640 11.8095 11.8095 12.1190 12.1190 k = 0.1700 0.0981 0.2933 ( 5942 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8539 -35.8539 -35.5669 -35.5669 -35.5639 -35.5639 -4.5877 -4.5877 -3.7423 -3.7423 3.0387 3.0387 3.4707 3.4707 5.1811 5.1811 5.3836 5.3836 5.5428 5.5428 6.8044 6.8044 10.3378 10.3378 10.5116 10.5116 11.7962 11.7962 12.2258 12.2258 k = 0.1800 0.1039 0.2933 ( 5942 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8540 -35.8540 -35.5670 -35.5670 -35.5639 -35.5639 -4.5532 -4.5532 -3.7093 -3.7093 3.0688 3.0688 3.3908 3.3908 5.1269 5.1269 5.3298 5.3298 5.4218 5.4218 6.7562 6.7562 10.2698 10.2698 10.4589 10.4589 11.7663 11.7663 12.3320 12.3320 k = 0.1900 0.1097 0.2933 ( 5934 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8540 -35.8540 -35.5671 -35.5671 -35.5639 -35.5639 -4.5170 -4.5170 -3.6749 -3.6749 3.0993 3.0993 3.3049 3.3049 5.0538 5.0538 5.2755 5.2755 5.3273 5.3273 6.7078 6.7078 10.2020 10.2020 10.4063 10.4063 11.7213 11.7213 12.4361 12.4361 k = 0.2000 0.1155 0.2933 ( 5930 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8540 -35.8540 -35.5672 -35.5672 -35.5639 -35.5639 -4.4790 -4.4790 -3.6391 -3.6391 3.1287 3.1287 3.2151 3.2151 4.9534 4.9534 5.2225 5.2225 5.2664 5.2664 6.6594 6.6594 10.1348 10.1348 10.3541 10.3541 11.6636 11.6636 12.5297 12.5297 k = 0.2100 0.1212 0.2933 ( 5934 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8541 -35.8541 -35.5673 -35.5673 -35.5639 -35.5639 -4.4394 -4.4394 -3.6020 -3.6020 3.1096 3.1096 3.1690 3.1690 4.8330 4.8330 5.1713 5.1713 5.2317 5.2317 6.6112 6.6112 10.0683 10.0683 10.3025 10.3025 11.5955 11.5955 12.5167 12.5167 k = 0.2200 0.1270 0.2933 ( 5942 PWs) bands (ev): -92.9558 -92.9558 -92.9543 -92.9543 -68.9004 -68.9004 -35.8542 -35.8542 -35.5674 -35.5674 -35.5639 -35.5639 -4.3982 -4.3982 -3.5637 -3.5637 3.0131 3.0131 3.1958 3.1958 4.7041 4.7041 5.1203 5.1203 5.2137 5.2137 6.5635 6.5635 10.0027 10.0027 10.2516 10.2516 11.5191 11.5191 12.4696 12.4696 k = 0.2300 0.1328 0.2933 ( 5938 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8542 -35.8542 -35.5675 -35.5675 -35.5639 -35.5639 -4.3554 -4.3554 -3.5243 -3.5243 2.9106 2.9106 3.2239 3.2239 4.5737 4.5737 5.0698 5.0698 5.2061 5.2061 6.5163 6.5163 9.9383 9.9383 10.2017 10.2017 11.4363 11.4363 12.3987 12.3987 k = 0.2400 0.1386 0.2933 ( 5950 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8543 -35.8543 -35.5676 -35.5676 -35.5640 -35.5640 -4.3111 -4.3111 -3.4840 -3.4840 2.8056 2.8056 3.2492 3.2492 4.4463 4.4463 5.0200 5.0200 5.2052 5.2052 6.4699 6.4699 9.8751 9.8751 10.1529 10.1529 11.3490 11.3490 12.3110 12.3110 k = 0.2500 0.1443 0.2933 ( 5948 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8544 -35.8544 -35.5677 -35.5677 -35.5640 -35.5640 -4.2654 -4.2654 -3.4428 -3.4428 2.6992 2.6992 3.2692 3.2692 4.3255 4.3255 4.9712 4.9712 5.2092 5.2092 6.4244 6.4244 9.8134 9.8134 10.1054 10.1054 11.2586 11.2586 12.2117 12.2117 k = 0.2600 0.1501 0.2933 ( 5946 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8544 -35.8544 -35.5678 -35.5678 -35.5640 -35.5640 -4.2184 -4.2184 -3.4011 -3.4011 2.5922 2.5922 3.2806 3.2806 4.2153 4.2153 4.9235 4.9235 5.2167 5.2167 6.3800 6.3800 9.7533 9.7533 10.0593 10.0593 11.1663 11.1663 12.1045 12.1045 k = 0.2700 0.1559 0.2933 ( 5948 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9003 -68.9003 -35.8545 -35.8545 -35.5679 -35.5679 -35.5640 -35.5640 -4.1701 -4.1701 -3.3588 -3.3588 2.4852 2.4852 3.2789 3.2789 4.1206 4.1206 4.8772 4.8772 5.2269 5.2269 6.3366 6.3366 9.6949 9.6949 10.0147 10.0147 11.0732 11.0732 11.9923 11.9923 k = 0.2800 0.1617 0.2933 ( 5952 PWs) bands (ev): -92.9557 -92.9557 -92.9544 -92.9544 -68.9003 -68.9003 -35.8545 -35.8545 -35.5680 -35.5680 -35.5640 -35.5640 -4.1206 -4.1206 -3.3162 -3.3162 2.3790 2.3790 3.2590 3.2590 4.0469 4.0469 4.8322 4.8322 5.2390 5.2390 6.2945 6.2945 9.6383 9.6383 9.9718 9.9718 10.9801 10.9801 11.8768 11.8768 k = 0.2900 0.1674 0.2933 ( 5954 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8546 -35.8546 -35.5681 -35.5681 -35.5640 -35.5640 -4.0701 -4.0701 -3.2735 -3.2735 2.2740 2.2740 3.2172 3.2172 3.9984 3.9984 4.7888 4.7888 5.2524 5.2524 6.2538 6.2538 9.5837 9.5837 9.9305 9.9305 10.8880 10.8880 11.7596 11.7596 k = 0.3000 0.1732 0.2933 ( 5962 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8547 -35.8547 -35.5683 -35.5683 -35.5640 -35.5640 -4.0187 -4.0187 -3.2309 -3.2309 2.1710 2.1710 3.1532 3.1532 3.9752 3.9752 4.7469 4.7469 5.2665 5.2665 6.2144 6.2144 9.5313 9.5313 9.8910 9.8910 10.7975 10.7975 11.6417 11.6417 k = 0.3100 0.1790 0.2933 ( 5970 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8547 -35.8547 -35.5684 -35.5684 -35.5641 -35.5641 -3.9665 -3.9665 -3.1887 -3.1887 2.0703 2.0703 3.0708 3.0708 3.9738 3.9738 4.7067 4.7067 5.2810 5.2810 6.1766 6.1766 9.4812 9.4812 9.8533 9.8533 10.7091 10.7091 11.5240 11.5240 k = 0.3200 0.1848 0.2933 ( 5972 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8548 -35.8548 -35.5685 -35.5685 -35.5641 -35.5641 -3.9136 -3.9136 -3.1471 -3.1471 1.9726 1.9726 2.9755 2.9755 3.9890 3.9890 4.6682 4.6682 5.2953 5.2953 6.1404 6.1404 9.4336 9.4336 9.8175 9.8175 10.6235 10.6235 11.4071 11.4071 k = 0.3300 0.1905 0.2933 ( 5968 PWs) bands (ev): -92.9556 -92.9556 -92.9545 -92.9545 -68.9003 -68.9003 -35.8548 -35.8548 -35.5686 -35.5686 -35.5641 -35.5641 -3.8602 -3.8602 -3.1063 -3.1063 1.8783 1.8783 2.8722 2.8722 4.0158 4.0158 4.6315 4.6315 5.3091 5.3091 6.1058 6.1058 9.3887 9.3887 9.7837 9.7837 10.5411 10.5411 11.2916 11.2916 k = 0.3400 0.1963 0.2933 ( 5974 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8549 -35.8549 -35.5687 -35.5687 -35.5641 -35.5641 -3.8065 -3.8065 -3.0667 -3.0667 1.7878 1.7878 2.7646 2.7646 4.0507 4.0507 4.5967 4.5967 5.3218 5.3218 6.0730 6.0730 9.3466 9.3466 9.7519 9.7519 10.4623 10.4623 11.1780 11.1780 k = 0.3500 0.2021 0.2933 ( 5968 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8549 -35.8549 -35.5688 -35.5688 -35.5641 -35.5641 -3.7527 -3.7527 -3.0285 -3.0285 1.7018 1.7018 2.6554 2.6554 4.0911 4.0911 4.5637 4.5637 5.3333 5.3333 6.0419 6.0419 9.3076 9.3076 9.7220 9.7220 10.3874 10.3874 11.0667 11.0667 k = 0.3600 0.2078 0.2933 ( 5970 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8550 -35.8550 -35.5688 -35.5688 -35.5641 -35.5641 -3.6991 -3.6991 -2.9921 -2.9921 1.6206 1.6206 2.5463 2.5463 4.1352 4.1352 4.5327 4.5327 5.3431 5.3431 6.0126 6.0126 9.2717 9.2717 9.6942 9.6942 10.3169 10.3169 10.9582 10.9582 k = 0.3700 0.2136 0.2933 ( 5972 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8550 -35.8550 -35.5689 -35.5689 -35.5641 -35.5641 -3.6458 -3.6458 -2.9577 -2.9577 1.5448 1.5448 2.4389 2.4389 4.1818 4.1818 4.5038 4.5038 5.3510 5.3510 5.9852 5.9852 9.2393 9.2393 9.6684 9.6684 10.2510 10.2510 10.8528 10.8528 k = 0.3800 0.2194 0.2933 ( 5972 PWs) bands (ev): -92.9555 -92.9555 -92.9546 -92.9546 -68.9003 -68.9003 -35.8551 -35.8551 -35.5690 -35.5690 -35.5641 -35.5641 -3.5932 -3.5932 -2.9257 -2.9257 1.4746 1.4746 2.3340 2.3340 4.2299 4.2299 4.4768 4.4768 5.3568 5.3568 5.9596 5.9596 9.2105 9.2105 9.6446 9.6446 10.1899 10.1899 10.7508 10.7508 k = 0.3900 0.2252 0.2933 ( 5978 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8551 -35.8551 -35.5691 -35.5691 -35.5641 -35.5641 -3.5415 -3.5415 -2.8964 -2.8964 1.4104 1.4104 2.2326 2.2326 4.2785 4.2785 4.4521 4.4521 5.3602 5.3602 5.9360 5.9360 9.1853 9.1853 9.6228 9.6228 10.1341 10.1341 10.6528 10.6528 k = 0.4000 0.2309 0.2933 ( 5982 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8551 -35.8551 -35.5692 -35.5692 -35.5641 -35.5641 -3.4913 -3.4913 -2.8700 -2.8700 1.3527 1.3527 2.1354 2.1354 4.3269 4.3269 4.4297 4.4297 5.3613 5.3613 5.9144 5.9144 9.1638 9.1638 9.6029 9.6029 10.0836 10.0836 10.5590 10.5590 k = 0.4100 0.2367 0.2933 ( 5978 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8552 -35.8552 -35.5692 -35.5692 -35.5641 -35.5641 -3.4429 -3.4429 -2.8468 -2.8468 1.3017 1.3017 2.0431 2.0431 4.3728 4.3728 4.4111 4.4111 5.3600 5.3600 5.8947 5.8947 9.1460 9.1460 9.5849 9.5849 10.0389 10.0389 10.4698 10.4698 k = 0.4200 0.2425 0.2933 ( 5974 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8552 -35.8552 -35.5693 -35.5693 -35.5641 -35.5641 -3.3967 -3.3967 -2.8268 -2.8268 1.2575 1.2575 1.9566 1.9566 4.3858 4.3858 4.4262 4.4262 5.3565 5.3565 5.8771 5.8771 9.1319 9.1319 9.5686 9.5686 10.0001 10.0001 10.3858 10.3858 k = 0.4300 0.2483 0.2933 ( 5970 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8552 -35.8552 -35.5693 -35.5693 -35.5641 -35.5641 -3.3534 -3.3534 -2.8101 -2.8101 1.2203 1.2203 1.8764 1.8764 4.3713 4.3713 4.4689 4.4689 5.3509 5.3509 5.8615 5.8615 9.1212 9.1212 9.5541 9.5541 9.9677 9.9677 10.3072 10.3072 k = 0.4400 0.2540 0.2933 ( 5982 PWs) bands (ev): -92.9554 -92.9554 -92.9547 -92.9547 -68.9003 -68.9003 -35.8553 -35.8553 -35.5694 -35.5694 -35.5642 -35.5642 -3.3135 -3.3135 -2.7967 -2.7967 1.1898 1.1898 1.8036 1.8036 4.3574 4.3574 4.5102 4.5102 5.3438 5.3438 5.8479 5.8479 9.1136 9.1136 9.5413 9.5413 9.9420 9.9420 10.2345 10.2345 k = 0.4500 0.2598 0.2933 ( 5992 PWs) bands (ev): -92.9554 -92.9554 -92.9547 -92.9547 -68.9003 -68.9003 -35.8553 -35.8553 -35.5694 -35.5694 -35.5642 -35.5642 -3.2777 -3.2777 -2.7864 -2.7864 1.1659 1.1659 1.7389 1.7389 4.3454 4.3454 4.5480 4.5480 5.3356 5.3356 5.8364 5.8364 9.1086 9.1086 9.5301 9.5301 9.9234 9.9234 10.1683 10.1683 k = 0.4600 0.2656 0.2933 ( 6000 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2469 -3.2469 -2.7790 -2.7790 1.1480 1.1480 1.6836 1.6836 4.3356 4.3356 4.5811 4.5811 5.3272 5.3272 5.8269 5.8269 9.1058 9.1058 9.5206 9.5206 9.9120 9.9120 10.1088 10.1088 k = 0.4700 0.2714 0.2933 ( 5990 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2217 -3.2217 -2.7739 -2.7739 1.1354 1.1354 1.6386 1.6386 4.3279 4.3279 4.6085 4.6085 5.3192 5.3192 5.8196 5.8196 9.1045 9.1045 9.5129 9.5129 9.9084 9.9084 10.0565 10.0565 k = 0.4800 0.2771 0.2933 ( 5988 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2030 -3.2030 -2.7708 -2.7708 1.1274 1.1274 1.6053 1.6053 4.3223 4.3223 4.6290 4.6290 5.3126 5.3126 5.8143 5.8143 9.1041 9.1041 9.5072 9.5072 9.9127 9.9127 10.0119 10.0119 k = 0.4900 0.2829 0.2933 ( 5984 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1915 -3.1915 -2.7692 -2.7692 1.1230 1.1230 1.5848 1.5848 4.3190 4.3190 4.6417 4.6417 5.3083 5.3083 5.8112 5.8112 9.1042 9.1042 9.5037 9.5037 9.9250 9.9250 9.9752 9.9752 k = 0.5000 0.2887 0.2933 ( 5984 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1876 -3.1876 -2.7687 -2.7687 1.1217 1.1217 1.5778 1.5778 4.3179 4.3179 4.6461 4.6461 5.3068 5.3068 5.8101 5.8101 9.1042 9.1042 9.5025 9.5025 9.9416 9.9416 9.9504 9.9504 k = 0.5000 0.2887 0.2933 ( 5984 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1876 -3.1876 -2.7687 -2.7687 1.1217 1.1217 1.5778 1.5778 4.3179 4.3179 4.6461 4.6461 5.3068 5.3068 5.8101 5.8101 9.1042 9.1042 9.5025 9.5025 9.9416 9.9416 9.9504 9.9504 k = 0.4943 0.2986 0.2933 ( 5984 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1868 -3.1868 -2.7683 -2.7683 1.1228 1.1228 1.5789 1.5789 4.3080 4.3080 4.6462 4.6462 5.3114 5.3114 5.8011 5.8011 9.1089 9.1089 9.5095 9.5095 9.9473 9.9473 9.9553 9.9553 k = 0.4885 0.3086 0.2933 ( 5992 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1846 -3.1846 -2.7670 -2.7670 1.1261 1.1261 1.5820 1.5820 4.2788 4.2788 4.6467 4.6467 5.3246 5.3246 5.7745 5.7745 9.1227 9.1227 9.5296 9.5296 9.9649 9.9649 9.9699 9.9699 k = 0.4828 0.3185 0.2933 ( 5990 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1809 -3.1809 -2.7650 -2.7650 1.1316 1.1316 1.5872 1.5872 4.2324 4.2324 4.6473 4.6473 5.3447 5.3447 5.7316 5.7316 9.1450 9.1450 9.5600 9.5600 9.9947 9.9947 9.9962 9.9962 k = 0.4770 0.3285 0.2933 ( 5990 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1757 -3.1757 -2.7622 -2.7622 1.1393 1.1393 1.5944 1.5944 4.1714 4.1714 4.6477 4.6477 5.3694 5.3694 5.6743 5.6743 9.1744 9.1744 9.5965 9.5965 10.0307 10.0307 10.0433 10.0433 k = 0.4713 0.3384 0.2933 ( 5978 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1691 -3.1691 -2.7587 -2.7587 1.1493 1.1493 1.6037 1.6037 4.0984 4.0984 4.6473 4.6473 5.3967 5.3967 5.6053 5.6053 9.2095 9.2095 9.6347 9.6347 10.0783 10.0783 10.1087 10.1087 k = 0.4655 0.3484 0.2933 ( 5978 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1610 -3.1610 -2.7545 -2.7545 1.1614 1.1614 1.6150 1.6150 4.0160 4.0160 4.6453 4.6453 5.4243 5.4243 5.5280 5.5280 9.2487 9.2487 9.6714 9.6714 10.1384 10.1384 10.1929 10.1929 k = 0.4598 0.3584 0.2933 ( 5978 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1516 -3.1516 -2.7497 -2.7497 1.1757 1.1757 1.6283 1.6283 3.9260 3.9260 4.6403 4.6403 5.4337 5.4337 5.4630 5.4630 9.2903 9.2903 9.7053 9.7053 10.2118 10.2118 10.2949 10.2949 k = 0.4540 0.3683 0.2933 ( 5974 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1407 -3.1407 -2.7442 -2.7442 1.1923 1.1923 1.6436 1.6436 3.8305 3.8305 4.6303 4.6303 5.3558 5.3558 5.4825 5.4825 9.3329 9.3329 9.7364 9.7364 10.2988 10.2988 10.4118 10.4118 k = 0.4483 0.3783 0.2933 ( 5974 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5642 -35.5642 -3.1286 -3.1286 -2.7383 -2.7383 1.2110 1.2110 1.6607 1.6607 3.7306 3.7306 4.6122 4.6122 5.2745 5.2745 5.5068 5.5068 9.3755 9.3755 9.7654 9.7654 10.3992 10.3992 10.5402 10.5402 k = 0.4425 0.3882 0.2933 ( 5972 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5642 -35.5642 -3.1151 -3.1151 -2.7320 -2.7320 1.2319 1.2319 1.6797 1.6797 3.6278 3.6278 4.5823 4.5823 5.2013 5.2013 5.5294 5.5294 9.4175 9.4175 9.7933 9.7933 10.5123 10.5123 10.6763 10.6763 k = 0.4368 0.3982 0.2933 ( 5972 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5642 -35.5642 -3.1005 -3.1005 -2.7254 -2.7254 1.2549 1.2549 1.7005 1.7005 3.5231 3.5231 4.5367 4.5367 5.1418 5.1418 5.5497 5.5497 9.4586 9.4586 9.8207 9.8207 10.6368 10.6368 10.8164 10.8164 k = 0.4310 0.4081 0.2933 ( 5972 PWs) bands (ev): -92.9553 -92.9553 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5643 -35.5643 -3.0846 -3.0846 -2.7186 -2.7186 1.2801 1.2801 1.7229 1.7229 3.4173 3.4173 4.4733 4.4733 5.0994 5.0994 5.5674 5.5674 9.4987 9.4987 9.8481 9.8481 10.7705 10.7705 10.9561 10.9561 k = 0.4253 0.4181 0.2933 ( 5976 PWs) bands (ev): -92.9553 -92.9553 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5643 -35.5643 -3.0676 -3.0676 -2.7117 -2.7117 1.3075 1.3075 1.7469 1.7469 3.3113 3.3113 4.3932 4.3932 5.0740 5.0740 5.5825 5.5825 9.5380 9.5380 9.8758 9.8758 10.9103 10.9103 11.0908 11.0908 k = 0.4195 0.4280 0.2933 ( 5978 PWs) bands (ev): -92.9553 -92.9553 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5643 -35.5643 -3.0496 -3.0496 -2.7049 -2.7049 1.3371 1.3371 1.7723 1.7723 3.2058 3.2058 4.3000 4.3000 5.0630 5.0630 5.5949 5.5949 9.5768 9.5768 9.9040 9.9040 11.0503 11.0503 11.2150 11.2150 k = 0.4138 0.4380 0.2933 ( 5974 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5643 -35.5643 -3.0307 -3.0307 -2.6983 -2.6983 1.3687 1.3687 1.7990 1.7990 3.1014 3.1014 4.1978 4.1978 5.0630 5.0630 5.6047 5.6047 9.6153 9.6153 9.9328 9.9328 11.1798 11.1798 11.3224 11.3224 k = 0.4080 0.4479 0.2933 ( 5986 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5696 -35.5696 -35.5643 -35.5643 -3.0108 -3.0108 -2.6920 -2.6920 1.4025 1.4025 1.8267 1.8267 2.9988 2.9988 4.0904 4.0904 5.0712 5.0712 5.6117 5.6117 9.6536 9.6536 9.9620 9.9620 11.2785 11.2785 11.4068 11.4068 k = 0.4023 0.4579 0.2933 ( 5986 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.9902 -2.9902 -2.6864 -2.6864 1.4384 1.4384 1.8553 1.8553 2.8985 2.8985 3.9806 3.9806 5.0854 5.0854 5.6159 5.6159 9.6919 9.6919 9.9915 9.9915 11.3225 11.3225 11.4633 11.4633 k = 0.3966 0.4679 0.2933 ( 5990 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.9689 -2.9689 -2.6814 -2.6814 1.4763 1.4763 1.8843 1.8843 2.8009 2.8009 3.8706 3.8706 5.1042 5.1042 5.6174 5.6174 9.7303 9.7303 10.0211 10.0211 11.3111 11.3111 11.4901 11.4901 k = 0.3908 0.4778 0.2933 ( 5988 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.9471 -2.9471 -2.6774 -2.6774 1.5164 1.5164 1.9133 1.9133 2.7066 2.7066 3.7623 3.7623 5.1265 5.1265 5.6160 5.6160 9.7690 9.7690 10.0505 10.0505 11.2669 11.2669 11.4895 11.4895 k = 0.3851 0.4878 0.2933 ( 5992 PWs) bands (ev): -92.9552 -92.9552 -92.9549 -92.9549 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.9249 -2.9249 -2.6745 -2.6745 1.5585 1.5585 1.9419 1.9419 2.6161 2.6161 3.6572 3.6572 5.1516 5.1516 5.6118 5.6118 9.8077 9.8077 10.0791 10.0791 11.2092 11.2092 11.4663 11.4663 k = 0.3793 0.4977 0.2933 ( 5992 PWs) bands (ev): -92.9552 -92.9552 -92.9549 -92.9549 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.9023 -2.9023 -2.6729 -2.6729 1.6026 1.6026 1.9692 1.9692 2.5297 2.5297 3.5568 3.5568 5.1789 5.1789 5.6046 5.6046 9.8466 9.8466 10.1063 10.1063 11.1481 11.1481 11.4270 11.4270 k = 0.3736 0.5077 0.2933 ( 5984 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.8797 -2.8797 -2.6729 -2.6729 1.6488 1.6488 1.9946 1.9946 2.4479 2.4479 3.4627 3.4627 5.2080 5.2080 5.5944 5.5944 9.8853 9.8853 10.1312 10.1312 11.0887 11.0887 11.3776 11.3776 k = 0.3678 0.5176 0.2933 ( 5988 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.8570 -2.8570 -2.6746 -2.6746 1.6969 1.6969 2.0168 2.0168 2.3711 2.3711 3.3763 3.3763 5.2385 5.2385 5.5812 5.5812 9.9239 9.9239 10.1528 10.1528 11.0338 11.0338 11.3236 11.3236 k = 0.3621 0.5276 0.2933 ( 5988 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.8346 -2.8346 -2.6783 -2.6783 1.7470 1.7470 2.0347 2.0347 2.2995 2.2995 3.2995 3.2995 5.2703 5.2703 5.5649 5.5649 9.9619 9.9619 10.1697 10.1697 10.9851 10.9851 11.2697 11.2697 k = 0.3563 0.5375 0.2933 ( 6000 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8556 -35.8556 -35.5697 -35.5697 -35.5645 -35.5645 -2.8126 -2.8126 -2.6841 -2.6841 1.7991 1.7991 2.0469 2.0469 2.2337 2.2337 3.2341 3.2341 5.3028 5.3028 5.5455 5.5455 9.9992 9.9992 10.1804 10.1804 10.9438 10.9438 11.2200 11.2200 k = 0.3506 0.5475 0.2933 ( 5996 PWs) bands (ev): -92.9551 -92.9551 -92.9550 -92.9550 -68.9002 -68.9002 -35.8556 -35.8556 -35.5696 -35.5696 -35.5645 -35.5645 -2.7912 -2.7912 -2.6923 -2.6923 1.8530 1.8530 2.0521 2.0521 2.1739 2.1739 3.1817 3.1817 5.3360 5.3360 5.5230 5.5230 10.0353 10.0353 10.1832 10.1832 10.9107 10.9107 11.1779 11.1779 k = 0.3448 0.5574 0.2933 ( 5996 PWs) bands (ev): -92.9551 -92.9551 -92.9550 -92.9550 -68.9002 -68.9002 -35.8556 -35.8556 -35.5697 -35.5697 -35.5645 -35.5645 -2.7705 -2.7705 -2.7030 -2.7030 1.9086 1.9086 2.0491 2.0491 2.1205 2.1205 3.1438 3.1438 5.3695 5.3695 5.4973 5.4973 10.0700 10.0700 10.1768 10.1768 10.8867 10.8867 11.1463 11.1463 k = 0.3391 0.5674 0.2933 ( 6004 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8556 -35.8556 -35.5697 -35.5697 -35.5645 -35.5645 -2.7509 -2.7509 -2.7164 -2.7164 1.9657 1.9657 2.0377 2.0377 2.0740 2.0740 3.1212 3.1212 5.4031 5.4031 5.4687 5.4687 10.1031 10.1031 10.1605 10.1605 10.8721 10.8721 11.1270 11.1270 k = 0.3333 0.5774 0.2933 ( 6012 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8556 -35.8556 -35.5697 -35.5697 -35.5645 -35.5645 -2.7326 -2.7326 -2.7325 -2.7325 2.0128 2.0128 2.0231 2.0231 2.0409 2.0409 3.1138 3.1138 5.4332 5.4332 5.4402 5.4402 10.1332 10.1332 10.1357 10.1357 10.8673 10.8673 11.1206 11.1206 k = 0.3333 0.5774 0.2933 ( 6012 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8556 -35.8556 -35.5697 -35.5697 -35.5645 -35.5645 -2.7326 -2.7326 -2.7325 -2.7325 2.0128 2.0128 2.0231 2.0231 2.0409 2.0409 3.1138 3.1138 5.4332 5.4332 5.4402 5.4402 10.1332 10.1332 10.1357 10.1357 10.8673 10.8673 11.1206 11.1206 k = 0.3276 0.5674 0.2933 ( 6006 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8556 -35.8556 -35.5697 -35.5697 -35.5645 -35.5645 -2.7517 -2.7517 -2.7157 -2.7157 1.9896 1.9896 1.9988 1.9988 2.0895 2.0895 3.1208 3.1208 5.4018 5.4018 5.4699 5.4699 10.1000 10.1000 10.1642 10.1642 10.8721 10.8721 11.1267 11.1267 k = 0.3218 0.5574 0.2933 ( 6010 PWs) bands (ev): -92.9551 -92.9551 -92.9550 -92.9550 -68.9002 -68.9002 -35.8556 -35.8556 -35.5697 -35.5697 -35.5645 -35.5645 -2.7738 -2.7738 -2.7006 -2.7006 1.9589 1.9589 1.9718 1.9718 2.1518 2.1518 3.1407 3.1407 5.3643 5.3643 5.5021 5.5021 10.0589 10.0589 10.1926 10.1926 10.8861 10.8861 11.1439 11.1439 k = 0.3161 0.5475 0.2933 ( 5994 PWs) bands (ev): -92.9551 -92.9551 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5645 -35.5645 -2.7989 -2.7989 -2.6874 -2.6874 1.9245 1.9245 1.9519 1.9519 2.2163 2.2163 3.1717 3.1717 5.3241 5.3241 5.5333 5.5333 10.0134 10.0134 10.2203 10.2203 10.9088 10.9088 11.1705 11.1705 k = 0.3103 0.5375 0.2933 ( 5996 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5645 -35.5645 -2.8270 -2.8270 -2.6764 -2.6764 1.8884 1.8884 1.9395 1.9395 2.2825 2.2825 3.2122 3.2122 5.2813 5.2813 5.5633 5.5633 9.9656 9.9656 10.2480 10.2480 10.9393 10.9393 11.2049 11.2049 k = 0.3046 0.5276 0.2933 ( 5996 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5645 -35.5645 -2.8582 -2.8582 -2.6679 -2.6679 1.8527 1.8527 1.9343 1.9343 2.3503 2.3503 3.2606 3.2606 5.2362 5.2362 5.5917 5.5917 9.9173 9.9173 10.2764 10.2764 10.9766 10.9766 11.2456 11.2456 k = 0.2989 0.5176 0.2933 ( 5980 PWs) bands (ev): -92.9552 -92.9552 -92.9550 -92.9550 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.8922 -2.8922 -2.6620 -2.6620 1.8189 1.8189 1.9362 1.9362 2.4196 2.4196 3.3158 3.3158 5.1889 5.1889 5.6182 5.6182 9.8701 9.8701 10.3062 10.3062 11.0198 11.0198 11.2912 11.2912 k = 0.2931 0.5077 0.2933 ( 5980 PWs) bands (ev): -92.9552 -92.9552 -92.9549 -92.9549 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.9290 -2.9290 -2.6589 -2.6589 1.7882 1.7882 1.9452 1.9452 2.4903 2.4903 3.3767 3.3767 5.1398 5.1398 5.6425 5.6425 9.8254 9.8254 10.3380 10.3380 11.0678 11.0678 11.3405 11.3405 k = 0.2874 0.4977 0.2933 ( 5968 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8555 -35.8555 -35.5695 -35.5695 -35.5644 -35.5644 -2.9686 -2.9686 -2.6588 -2.6588 1.7617 1.7617 1.9611 1.9611 2.5623 2.5623 3.4425 3.4425 5.0890 5.0890 5.6643 5.6643 9.7841 9.7841 10.3725 10.3725 11.1197 11.1197 11.3928 11.3928 k = 0.2816 0.4878 0.2933 ( 5968 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5644 -35.5644 -3.0106 -3.0106 -2.6619 -2.6619 1.7399 1.7399 1.9838 1.9838 2.6355 2.6355 3.5126 3.5126 5.0370 5.0370 5.6835 5.6835 9.7472 9.7472 10.4098 10.4098 11.1748 11.1748 11.4472 11.4472 k = 0.2759 0.4778 0.2933 ( 5972 PWs) bands (ev): -92.9553 -92.9553 -92.9549 -92.9549 -68.9002 -68.9002 -35.8554 -35.8554 -35.5695 -35.5695 -35.5644 -35.5644 -3.0550 -3.0550 -2.6682 -2.6682 1.7236 1.7236 2.0131 2.0131 2.7098 2.7098 3.5865 3.5865 4.9839 4.9839 5.6996 5.6996 9.7153 9.7153 10.4503 10.4503 11.2321 11.2321 11.5030 11.5030 k = 0.2701 0.4679 0.2933 ( 5968 PWs) bands (ev): -92.9553 -92.9553 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5694 -35.5694 -35.5644 -35.5644 -3.1015 -3.1015 -2.6777 -2.6777 1.7131 1.7131 2.0488 2.0488 2.7849 2.7849 3.6637 3.6637 4.9301 4.9301 5.7126 5.7126 9.6891 9.6891 10.4941 10.4941 11.2909 11.2909 11.5595 11.5595 k = 0.2644 0.4579 0.2933 ( 5978 PWs) bands (ev): -92.9553 -92.9553 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5694 -35.5694 -35.5644 -35.5644 -3.1500 -3.1500 -2.6906 -2.6906 1.7087 1.7087 2.0907 2.0907 2.8608 2.8608 3.7439 3.7439 4.8761 4.8761 5.7223 5.7223 9.6689 9.6689 10.5413 10.5413 11.3502 11.3502 11.6162 11.6162 k = 0.2586 0.4479 0.2933 ( 5986 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8554 -35.8554 -35.5694 -35.5694 -35.5644 -35.5644 -3.2002 -3.2002 -2.7067 -2.7067 1.7107 1.7107 2.1385 2.1385 2.9372 2.9372 3.8268 3.8268 4.8221 4.8221 5.7285 5.7285 9.6550 9.6550 10.5917 10.5917 11.4090 11.4090 11.6723 11.6723 k = 0.2529 0.4380 0.2933 ( 5986 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5693 -35.5693 -35.5643 -35.5643 -3.2519 -3.2519 -2.7260 -2.7260 1.7191 1.7191 2.1921 2.1921 3.0137 3.0137 3.9122 3.9122 4.7687 4.7687 5.7312 5.7312 9.6477 9.6477 10.6453 10.6453 11.4661 11.4661 11.7273 11.7273 k = 0.2471 0.4280 0.2933 ( 5986 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5693 -35.5693 -35.5643 -35.5643 -3.3049 -3.3049 -2.7485 -2.7485 1.7339 1.7339 2.2511 2.2511 3.0901 3.0901 3.9999 3.9999 4.7164 4.7164 5.7304 5.7304 9.6470 9.6470 10.7018 10.7018 11.5198 11.5198 11.7805 11.7805 k = 0.2414 0.4181 0.2933 ( 5994 PWs) bands (ev): -92.9554 -92.9554 -92.9547 -92.9547 -68.9003 -68.9003 -35.8553 -35.8553 -35.5692 -35.5692 -35.5643 -35.5643 -3.3589 -3.3589 -2.7739 -2.7739 1.7551 1.7551 2.3152 2.3152 3.1660 3.1660 4.0897 4.0897 4.6658 4.6658 5.7261 5.7261 9.6530 9.6530 10.7612 10.7612 11.5684 11.5684 11.8313 11.8313 k = 0.2356 0.4081 0.2933 ( 5988 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8552 -35.8552 -35.5692 -35.5692 -35.5643 -35.5643 -3.4139 -3.4139 -2.8021 -2.8021 1.7826 1.7826 2.3842 2.3842 3.2407 3.2407 4.1814 4.1814 4.6178 4.6178 5.7185 5.7185 9.6656 9.6656 10.8230 10.8230 11.6093 11.6093 11.8788 11.8789 k = 0.2299 0.3982 0.2933 ( 5988 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8552 -35.8552 -35.5691 -35.5691 -35.5643 -35.5643 -3.4694 -3.4694 -2.8329 -2.8329 1.8162 1.8162 2.4577 2.4577 3.3135 3.3135 4.2748 4.2748 4.5731 4.5731 5.7077 5.7077 9.6845 9.6845 10.8869 10.8869 11.6398 11.6398 11.9225 11.9225 k = 0.2241 0.3882 0.2933 ( 5988 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8551 -35.8551 -35.5690 -35.5690 -35.5643 -35.5643 -3.5255 -3.5255 -2.8660 -2.8660 1.8557 1.8557 2.5354 2.5354 3.3834 3.3834 4.3698 4.3698 4.5332 4.5332 5.6941 5.6941 9.7096 9.7096 10.9526 10.9526 11.6573 11.6573 11.9615 11.9615 k = 0.2184 0.3783 0.2933 ( 5992 PWs) bands (ev): -92.9555 -92.9555 -92.9547 -92.9547 -68.9003 -68.9003 -35.8551 -35.8551 -35.5690 -35.5690 -35.5643 -35.5643 -3.5818 -3.5818 -2.9013 -2.9013 1.9008 1.9008 2.6168 2.6168 3.4493 3.4493 4.4659 4.4659 4.4995 4.4995 5.6778 5.6778 9.7404 9.7404 11.0195 11.0195 11.6604 11.6604 11.9950 11.9950 k = 0.2126 0.3683 0.2933 ( 5988 PWs) bands (ev): -92.9555 -92.9555 -92.9546 -92.9546 -68.9003 -68.9003 -35.8551 -35.8551 -35.5689 -35.5689 -35.5642 -35.5642 -3.6381 -3.6381 -2.9385 -2.9385 1.9514 1.9514 2.7015 2.7015 3.5097 3.5097 4.4731 4.4731 4.5638 4.5638 5.6594 5.6594 9.7767 9.7767 11.0870 11.0870 11.6489 11.6489 12.0222 12.0222 k = 0.2069 0.3584 0.2933 ( 5988 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8550 -35.8550 -35.5688 -35.5688 -35.5642 -35.5642 -3.6944 -3.6944 -2.9773 -2.9773 2.0070 2.0070 2.7887 2.7887 3.5629 3.5629 4.4572 4.4572 4.6622 4.6622 5.6390 5.6390 9.8179 9.8179 11.1545 11.1545 11.6249 11.6249 12.0420 12.0420 k = 0.2011 0.3484 0.2933 ( 5980 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8549 -35.8549 -35.5687 -35.5687 -35.5642 -35.5642 -3.7505 -3.7505 -3.0175 -3.0175 2.0674 2.0674 2.8776 2.8776 3.6077 3.6077 4.4533 4.4533 4.7612 4.7612 5.6174 5.6174 9.8637 9.8637 11.2211 11.2211 11.5912 11.5912 12.0529 12.0529 k = 0.1954 0.3384 0.2933 ( 5976 PWs) bands (ev): -92.9556 -92.9556 -92.9546 -92.9546 -68.9003 -68.9003 -35.8549 -35.8549 -35.5686 -35.5686 -35.5642 -35.5642 -3.8062 -3.8062 -3.0588 -3.0588 2.1322 2.1322 2.9670 2.9670 3.6435 3.6435 4.4632 4.4632 4.8606 4.8606 5.5951 5.5951 9.9133 9.9133 11.2857 11.2857 11.5510 11.5510 12.0531 12.0531 k = 0.1897 0.3285 0.2933 ( 5960 PWs) bands (ev): -92.9556 -92.9556 -92.9545 -92.9545 -68.9003 -68.9003 -35.8548 -35.8548 -35.5685 -35.5685 -35.5641 -35.5641 -3.8613 -3.8613 -3.1011 -3.1011 2.2011 2.2011 3.0548 3.0548 3.6714 3.6714 4.4874 4.4874 4.9595 4.9595 5.5729 5.5729 9.9663 9.9663 11.3463 11.3463 11.5079 11.5079 12.0406 12.0406 k = 0.1839 0.3185 0.2933 ( 5960 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8548 -35.8548 -35.5684 -35.5684 -35.5641 -35.5641 -3.9158 -3.9158 -3.1440 -3.1440 2.2738 2.2738 3.1380 3.1380 3.6949 3.6949 4.5254 4.5254 5.0570 5.0570 5.5522 5.5522 10.0222 10.0222 11.3956 11.3956 11.4703 11.4703 12.0146 12.0146 k = 0.1782 0.3086 0.2933 ( 5952 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8547 -35.8547 -35.5683 -35.5683 -35.5641 -35.5641 -3.9695 -3.9695 -3.1873 -3.1873 2.3499 2.3499 3.2118 3.2118 3.7203 3.7203 4.5754 4.5754 5.1509 5.1509 5.5352 5.5352 10.0801 10.0801 11.3925 11.3925 11.4795 11.4795 11.9768 11.9768 k = 0.1724 0.2986 0.2933 ( 5948 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8546 -35.8546 -35.5682 -35.5682 -35.5641 -35.5641 -4.0223 -4.0223 -3.2309 -3.2309 2.4289 2.4289 3.2699 3.2699 3.7557 3.7557 4.6354 4.6354 5.2364 5.2364 5.5271 5.5271 10.1396 10.1396 11.3513 11.3513 11.5212 11.5212 11.9307 11.9307 k = 0.1667 0.2887 0.2933 ( 5950 PWs) bands (ev): -92.9557 -92.9557 -92.9545 -92.9545 -68.9003 -68.9003 -35.8546 -35.8546 -35.5681 -35.5681 -35.5641 -35.5641 -4.0741 -4.0741 -3.2746 -3.2746 2.5106 2.5106 3.3071 3.3071 3.8083 3.8083 4.7032 4.7032 5.3024 5.3024 5.5391 5.5391 10.2001 10.2001 11.3062 11.3062 11.5608 11.5608 11.8796 11.8796 k = 0.1609 0.2787 0.2933 ( 5950 PWs) bands (ev): -92.9557 -92.9557 -92.9544 -92.9544 -68.9003 -68.9003 -35.8545 -35.8545 -35.5680 -35.5680 -35.5641 -35.5641 -4.1249 -4.1249 -3.3180 -3.3180 2.5944 2.5944 3.3227 3.3227 3.8803 3.8803 4.7770 4.7770 5.3360 5.3360 5.5845 5.5845 10.2608 10.2608 11.2618 11.2618 11.5937 11.5937 11.8261 11.8261 k = 0.1552 0.2688 0.2933 ( 5942 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9003 -68.9003 -35.8545 -35.8545 -35.5679 -35.5679 -35.5640 -35.5640 -4.1744 -4.1744 -3.3612 -3.3612 2.6799 2.6799 3.3206 3.3206 3.9690 3.9690 4.8554 4.8554 5.3416 5.3416 5.6588 5.6588 10.3211 10.3211 11.2192 11.2192 11.6186 11.6186 11.7719 11.7719 k = 0.1494 0.2588 0.2933 ( 5950 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8544 -35.8544 -35.5678 -35.5678 -35.5640 -35.5640 -4.2227 -4.2227 -3.4039 -3.4039 2.7666 2.7666 3.3063 3.3063 4.0696 4.0696 4.9372 4.9372 5.3341 5.3341 5.7476 5.7476 10.3806 10.3806 11.1790 11.1790 11.6352 11.6352 11.7179 11.7179 k = 0.1437 0.2489 0.2933 ( 5942 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8543 -35.8543 -35.5677 -35.5677 -35.5640 -35.5640 -4.2697 -4.2697 -3.4459 -3.4459 2.8541 2.8541 3.2842 3.2842 4.1783 4.1783 5.0218 5.0218 5.3222 5.3222 5.8422 5.8422 10.4388 10.4388 11.1416 11.1416 11.6439 11.6439 11.6648 11.6648 k = 0.1379 0.2389 0.2933 ( 5942 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8543 -35.8543 -35.5676 -35.5676 -35.5640 -35.5640 -4.3153 -4.3153 -3.4871 -3.4871 2.9417 2.9417 3.2572 3.2572 4.2924 4.2924 5.1084 5.1084 5.3100 5.3100 5.9390 5.9390 10.4951 10.4951 11.1073 11.1073 11.6130 11.6130 11.6453 11.6453 k = 0.1322 0.2289 0.2933 ( 5940 PWs) bands (ev): -92.9558 -92.9558 -92.9544 -92.9544 -68.9004 -68.9004 -35.8542 -35.8542 -35.5675 -35.5675 -35.5640 -35.5640 -4.3594 -4.3594 -3.5275 -3.5275 3.0288 3.0288 3.2273 3.2273 4.4097 4.4097 5.1967 5.1967 5.2995 5.2995 6.0363 6.0363 10.5493 10.5493 11.0761 11.0761 11.5628 11.5628 11.6403 11.6403 k = 0.1264 0.2190 0.2933 ( 5940 PWs) bands (ev): -92.9558 -92.9558 -92.9543 -92.9543 -68.9004 -68.9004 -35.8542 -35.8542 -35.5674 -35.5674 -35.5639 -35.5639 -4.4020 -4.4020 -3.5668 -3.5668 3.1147 3.1147 3.1961 3.1961 4.5288 4.5288 5.2793 5.2793 5.2990 5.2990 6.1329 6.1329 10.6011 10.6011 11.0482 11.0482 11.5145 11.5145 11.6299 11.6299 k = 0.1207 0.2090 0.2933 ( 5940 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8541 -35.8541 -35.5673 -35.5673 -35.5639 -35.5639 -4.4430 -4.4430 -3.6050 -3.6050 3.1624 3.1624 3.2004 3.2004 4.6485 4.6485 5.2847 5.2847 5.3813 5.3813 6.2284 6.2284 10.6505 10.6505 11.0238 11.0238 11.4681 11.4681 11.6150 11.6150 k = 0.1149 0.1991 0.2933 ( 5932 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8540 -35.8540 -35.5672 -35.5672 -35.5639 -35.5639 -4.4823 -4.4823 -3.6420 -3.6420 3.1308 3.1308 3.2816 3.2816 4.7674 4.7674 5.2848 5.2848 5.4749 5.4749 6.3221 6.3221 10.6975 10.6975 11.0028 11.0028 11.4237 11.4237 11.5966 11.5966 k = 0.1092 0.1891 0.2933 ( 5926 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8540 -35.8540 -35.5670 -35.5670 -35.5639 -35.5639 -4.5200 -4.5200 -3.6777 -3.6777 3.0989 3.0989 3.3601 3.3601 4.8845 4.8845 5.2896 5.2896 5.5711 5.5711 6.4136 6.4136 10.7421 10.7421 10.9853 10.9853 11.3815 11.3815 11.5754 11.5754 k = 0.1034 0.1792 0.2933 ( 5934 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8539 -35.8539 -35.5670 -35.5670 -35.5639 -35.5639 -4.5560 -4.5560 -3.7119 -3.7119 3.0676 3.0676 3.4348 3.4348 4.9985 4.9985 5.2999 5.2999 5.6699 5.6699 6.5024 6.5024 10.7845 10.7845 10.9713 10.9713 11.3415 11.3415 11.5520 11.5520 k = 0.0977 0.1692 0.2933 ( 5934 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8539 -35.8539 -35.5669 -35.5669 -35.5639 -35.5639 -4.5903 -4.5903 -3.7447 -3.7447 3.0372 3.0372 3.5047 3.5047 5.1082 5.1082 5.3162 5.3162 5.7719 5.7719 6.5882 6.5882 10.8249 10.8249 10.9607 10.9607 11.3038 11.3038 11.5270 11.5270 k = 0.0920 0.1593 0.2933 ( 5934 PWs) bands (ev): -92.9559 -92.9559 -92.9543 -92.9543 -68.9004 -68.9004 -35.8538 -35.8538 -35.5668 -35.5668 -35.5639 -35.5639 -4.6227 -4.6227 -3.7759 -3.7759 3.0079 3.0079 3.5695 3.5695 5.2125 5.2125 5.3389 5.3389 5.8772 5.8772 6.6706 6.6706 10.8634 10.8634 10.9534 10.9534 11.2685 11.2685 11.5006 11.5006 k = 0.0862 0.1493 0.2933 ( 5930 PWs) bands (ev): -92.9559 -92.9559 -92.9542 -92.9542 -68.9004 -68.9004 -35.8538 -35.8538 -35.5667 -35.5667 -35.5639 -35.5639 -4.6533 -4.6533 -3.8055 -3.8055 2.9799 2.9799 3.6284 3.6284 5.3100 5.3100 5.3685 5.3685 5.9861 5.9861 6.7492 6.7492 10.9000 10.9000 10.9494 10.9494 11.2359 11.2359 11.4732 11.4732 k = 0.0805 0.1394 0.2933 ( 5938 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8537 -35.8537 -35.5666 -35.5666 -35.5639 -35.5639 -4.6821 -4.6821 -3.8334 -3.8334 2.9533 2.9533 3.6813 3.6813 5.3936 5.3936 5.4114 5.4114 6.0983 6.0983 6.8236 6.8236 10.9343 10.9343 10.9483 10.9483 11.2064 11.2064 11.4448 11.4448 k = 0.0747 0.1294 0.2933 ( 5938 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8537 -35.8537 -35.5665 -35.5665 -35.5639 -35.5639 -4.7090 -4.7090 -3.8596 -3.8596 2.9283 2.9283 3.7280 3.7280 5.4415 5.4415 5.4886 5.4886 6.2135 6.2135 6.8936 6.8936 10.9499 10.9499 10.9658 10.9658 11.1808 11.1808 11.4155 11.4155 k = 0.0690 0.1195 0.2933 ( 5938 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8537 -35.8537 -35.5665 -35.5665 -35.5639 -35.5639 -4.7340 -4.7340 -3.8841 -3.8841 2.9048 2.9048 3.7687 3.7687 5.4884 5.4884 5.5646 5.5646 6.3308 6.3308 6.9587 6.9587 10.9540 10.9540 10.9922 10.9922 11.1611 11.1611 11.3850 11.3850 k = 0.0632 0.1095 0.2933 ( 5936 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8536 -35.8536 -35.5664 -35.5664 -35.5638 -35.5638 -4.7571 -4.7571 -3.9067 -3.9067 2.8830 2.8830 3.8035 3.8035 5.5391 5.5391 5.6338 5.6338 6.4491 6.4491 7.0187 7.0187 10.9601 10.9601 11.0099 11.0099 11.1506 11.1506 11.3532 11.3532 k = 0.0575 0.0995 0.2933 ( 5934 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9004 -68.9004 -35.8536 -35.8536 -35.5663 -35.5663 -35.5638 -35.5638 -4.7782 -4.7782 -3.9275 -3.9275 2.8630 2.8630 3.8328 3.8328 5.5927 5.5927 5.6962 5.6962 6.5670 6.5670 7.0735 7.0735 10.9675 10.9675 11.0149 11.0149 11.1530 11.1530 11.3196 11.3196 k = 0.0517 0.0896 0.2933 ( 5930 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8536 -35.8536 -35.5663 -35.5663 -35.5638 -35.5638 -4.7973 -4.7973 -3.9464 -3.9464 2.8447 2.8447 3.8572 3.8572 5.6481 5.6481 5.7518 5.7518 6.6830 6.6830 7.1228 7.1228 10.9754 10.9754 11.0077 11.0077 11.1666 11.1666 11.2839 11.2839 k = 0.0460 0.0796 0.2933 ( 5940 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5662 -35.5662 -35.5638 -35.5638 -4.8145 -4.8145 -3.9634 -3.9634 2.8283 2.8283 3.8773 3.8773 5.7036 5.7036 5.8011 5.8011 6.7954 6.7954 7.1665 7.1665 10.9825 10.9825 10.9930 10.9930 11.1853 11.1853 11.2464 11.2464 k = 0.0402 0.0697 0.2933 ( 5944 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5662 -35.5662 -35.5638 -35.5638 -4.8297 -4.8297 -3.9785 -3.9785 2.8137 2.8137 3.8936 3.8936 5.7577 5.7577 5.8442 5.8442 6.9022 6.9022 7.2046 7.2046 10.9744 10.9744 10.9862 10.9862 11.2019 11.2019 11.2096 11.2096 k = 0.0345 0.0597 0.2933 ( 5948 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5662 -35.5662 -35.5638 -35.5638 -4.8429 -4.8429 -3.9915 -3.9915 2.8010 2.8010 3.9065 3.9065 5.8087 5.8087 5.8815 5.8815 7.0014 7.0014 7.2372 7.2372 10.9539 10.9539 10.9823 10.9823 11.1735 11.1735 11.2147 11.2147 k = 0.0287 0.0498 0.2933 ( 5948 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5661 -35.5661 -35.5638 -35.5638 -4.8541 -4.8541 -4.0027 -4.0027 2.7902 2.7902 3.9167 3.9167 5.8549 5.8549 5.9132 5.9132 7.0907 7.0907 7.2645 7.2645 10.9324 10.9324 10.9661 10.9661 11.1495 11.1495 11.2133 11.2133 k = 0.0230 0.0398 0.2933 ( 5944 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8535 -35.8535 -35.5661 -35.5661 -35.5638 -35.5638 -4.8633 -4.8633 -4.0118 -4.0118 2.7814 2.7814 3.9244 3.9244 5.8945 5.8945 5.9398 5.9398 7.1675 7.1675 7.2871 7.2871 10.9111 10.9111 10.9374 10.9374 11.1388 11.1388 11.1986 11.1986 k = 0.0172 0.0299 0.2933 ( 5940 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8704 -4.8704 -4.0189 -4.0189 2.7745 2.7745 3.9301 3.9301 5.9258 5.9258 5.9616 5.9616 7.2289 7.2289 7.3056 7.3056 10.8915 10.8915 10.9035 10.9035 11.1378 11.1378 11.1785 11.1785 k = 0.0115 0.0199 0.2933 ( 5936 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8755 -4.8755 -4.0239 -4.0239 2.7695 2.7695 3.9340 3.9340 5.9475 5.9475 5.9786 5.9786 7.2716 7.2716 7.3215 7.3215 10.8733 10.8733 10.8755 10.8755 11.1410 11.1410 11.1610 11.1610 k = 0.0057 0.0100 0.2933 ( 5930 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8785 -4.8785 -4.0270 -4.0270 2.7666 2.7666 3.9362 3.9362 5.9600 5.9600 5.9898 5.9898 7.2940 7.2940 7.3350 7.3350 10.8530 10.8530 10.8650 10.8650 11.1445 11.1445 11.1499 11.1499 k = 0.0000 0.0000 0.2933 ( 5938 PWs) bands (ev): -92.9560 -92.9560 -92.9542 -92.9542 -68.9005 -68.9005 -35.8534 -35.8534 -35.5661 -35.5661 -35.5638 -35.5638 -4.8796 -4.8796 -4.0280 -4.0280 2.7656 2.7656 3.9369 3.9369 5.9639 5.9639 5.9938 5.9938 7.3003 7.3003 7.3408 7.3408 10.8458 10.8458 10.8613 10.8613 11.1453 11.1453 11.1467 11.1467 k = 0.5000 0.2887 0.2933 ( 5984 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1876 -3.1876 -2.7687 -2.7687 1.1217 1.1217 1.5778 1.5778 4.3179 4.3179 4.6461 4.6461 5.3068 5.3068 5.8101 5.8101 9.1042 9.1042 9.5025 9.5025 9.9416 9.9416 9.9504 9.9504 k = 0.5000 0.2887 0.2820 ( 5984 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1883 -3.1883 -2.7681 -2.7681 1.1218 1.1218 1.5809 1.5809 4.3171 4.3171 4.6362 4.6362 5.3091 5.3091 5.8118 5.8118 9.0942 9.0942 9.5073 9.5073 9.9336 9.9336 9.9775 9.9775 k = 0.5000 0.2887 0.2708 ( 5986 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1903 -3.1903 -2.7663 -2.7663 1.1221 1.1221 1.5901 1.5901 4.3147 4.3147 4.6077 4.6077 5.3152 5.3152 5.8167 5.8167 9.0687 9.0687 9.5149 9.5149 9.9493 9.9493 10.0211 10.0211 k = 0.5000 0.2887 0.2595 ( 5994 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1937 -3.1937 -2.7635 -2.7635 1.1228 1.1228 1.6051 1.6051 4.3108 4.3108 4.5631 4.5631 5.3223 5.3223 5.8249 5.8249 9.0371 9.0371 9.5144 9.5144 9.9972 9.9972 10.0741 10.0741 k = 0.5000 0.2887 0.2482 ( 5986 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.1983 -3.1983 -2.7596 -2.7596 1.1243 1.1243 1.6256 1.6256 4.3053 4.3053 4.5055 4.5055 5.3277 5.3277 5.8362 5.8362 9.0072 9.0072 9.5024 9.5024 10.0720 10.0720 10.1374 10.1374 k = 0.5000 0.2887 0.2369 ( 5984 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2039 -3.2039 -2.7549 -2.7549 1.1267 1.1267 1.6512 1.6512 4.2985 4.2985 4.4382 4.4382 5.3284 5.3284 5.8504 5.8504 8.9835 8.9835 9.4823 9.4823 10.1550 10.1550 10.2210 10.2210 k = 0.5000 0.2887 0.2256 ( 5980 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2105 -3.2105 -2.7495 -2.7495 1.1304 1.1304 1.6814 1.6814 4.2899 4.2899 4.3641 4.3641 5.3226 5.3226 5.8672 5.8672 8.9684 8.9684 9.4589 9.4589 10.2287 10.2287 10.3349 10.3349 k = 0.5000 0.2887 0.2143 ( 5994 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2177 -3.2177 -2.7435 -2.7435 1.1356 1.1356 1.7158 1.7158 4.2714 4.2714 4.2935 4.2935 5.3090 5.3090 5.8864 5.8864 8.9625 8.9625 9.4358 9.4358 10.2971 10.2971 10.4694 10.4694 k = 0.5000 0.2887 0.2031 ( 5994 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2256 -3.2256 -2.7371 -2.7371 1.1427 1.1427 1.7539 1.7539 4.1964 4.1964 4.2750 4.2750 5.2869 5.2869 5.9077 5.9077 8.9651 8.9651 9.4163 9.4163 10.3644 10.3644 10.6167 10.6167 k = 0.5000 0.2887 0.1918 ( 5990 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2339 -3.2339 -2.7304 -2.7304 1.1516 1.1516 1.7954 1.7954 4.1107 4.1107 4.2640 4.2640 5.2563 5.2563 5.9308 5.9308 8.9742 8.9742 9.4034 9.4034 10.4316 10.4316 10.7732 10.7732 k = 0.5000 0.2887 0.1805 ( 5984 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2424 -3.2424 -2.7235 -2.7235 1.1626 1.1626 1.8397 1.8397 4.0232 4.0232 4.2532 4.2532 5.2176 5.2176 5.9553 5.9553 8.9865 8.9865 9.4003 9.4003 10.4984 10.4984 10.9370 10.9370 k = 0.5000 0.2887 0.1692 ( 5984 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2511 -3.2511 -2.7167 -2.7167 1.1756 1.1756 1.8864 1.8864 3.9352 3.9352 4.2423 4.2423 5.1717 5.1717 5.9809 5.9809 8.9981 8.9981 9.4107 9.4107 10.5643 10.5643 11.1067 11.1067 k = 0.5000 0.2887 0.1579 ( 5980 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2598 -3.2598 -2.7099 -2.7099 1.1906 1.1906 1.9352 1.9352 3.8475 3.8475 4.2313 4.2313 5.1195 5.1195 6.0072 6.0072 9.0054 9.0054 9.4372 9.4372 10.6285 10.6285 11.2812 11.2812 k = 0.5000 0.2887 0.1467 ( 5976 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5641 -35.5641 -3.2683 -3.2683 -2.7033 -2.7033 1.2075 1.2075 1.9855 1.9855 3.7611 3.7611 4.2205 4.2205 5.0622 5.0622 6.0338 6.0338 9.0069 9.0069 9.4805 9.4805 10.6902 10.6902 11.4597 11.4597 k = 0.5000 0.2887 0.1354 ( 5974 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5641 -35.5641 -3.2766 -3.2766 -2.6970 -2.6970 1.2262 1.2262 2.0369 2.0369 3.6765 3.6765 4.2099 4.2099 5.0010 5.0010 6.0605 6.0605 9.0027 9.0027 9.5391 9.5391 10.7484 10.7484 11.6411 11.6411 k = 0.5000 0.2887 0.1241 ( 5982 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2845 -3.2845 -2.6910 -2.6910 1.2463 1.2463 2.0888 2.0888 3.5946 3.5946 4.1997 4.1997 4.9373 4.9373 6.0868 6.0868 8.9944 8.9944 9.6103 9.6103 10.8017 10.8017 11.8242 11.8242 k = 0.5000 0.2887 0.1128 ( 5982 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2920 -3.2920 -2.6854 -2.6854 1.2675 1.2675 2.1407 2.1407 3.5159 3.5159 4.1900 4.1900 4.8723 4.8723 6.1123 6.1123 8.9836 8.9836 9.6914 9.6914 10.8489 10.8489 11.8827 11.8827 k = 0.5000 0.2887 0.1015 ( 5980 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5642 -35.5642 -3.2990 -3.2990 -2.6803 -2.6803 1.2895 1.2895 2.1919 2.1919 3.4411 3.4411 4.1809 4.1809 4.8073 4.8073 6.1367 6.1367 8.9717 8.9717 9.7797 9.7797 10.8884 10.8884 11.8079 11.8079 k = 0.5000 0.2887 0.0903 ( 5976 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9003 -68.9003 -35.8553 -35.8553 -35.5695 -35.5695 -35.5641 -35.5641 -3.3055 -3.3055 -2.6756 -2.6756 1.3118 1.3118 2.2416 2.2416 3.3711 3.3711 4.1725 4.1725 4.7438 4.7438 6.1596 6.1596 8.9595 8.9595 9.8730 9.8730 10.9186 10.9186 11.7398 11.7398 k = 0.5000 0.2887 0.0790 ( 5968 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5641 -35.5641 -3.3113 -3.3113 -2.6714 -2.6714 1.3339 1.3339 2.2890 2.2890 3.3065 3.3065 4.1649 4.1649 4.6831 4.6831 6.1808 6.1808 8.9477 8.9477 9.9694 9.9694 10.9381 10.9381 11.6789 11.6789 k = 0.5000 0.2887 0.0677 ( 5968 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5641 -35.5641 -3.3164 -3.3164 -2.6677 -2.6677 1.3551 1.3551 2.3332 2.3332 3.2482 3.2482 4.1582 4.1582 4.6265 4.6265 6.1998 6.1998 8.9370 8.9370 10.0670 10.0670 10.9458 10.9458 11.6254 11.6254 k = 0.5000 0.2887 0.0564 ( 5964 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5641 -35.5641 -3.3208 -3.3208 -2.6646 -2.6646 1.3747 1.3747 2.3732 2.3732 3.1969 3.1969 4.1524 4.1524 4.5755 4.5755 6.2164 6.2164 8.9275 8.9275 10.1638 10.1638 10.9410 10.9410 11.5796 11.5796 k = 0.5000 0.2887 0.0451 ( 5960 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5641 -35.5641 -3.3245 -3.3245 -2.6620 -2.6620 1.3922 1.3922 2.4079 2.4079 3.1534 3.1534 4.1476 4.1476 4.5313 4.5313 6.2304 6.2304 8.9194 8.9194 10.2576 10.2576 10.9242 10.9242 11.5418 11.5418 k = 0.5000 0.2887 0.0338 ( 5954 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5641 -35.5641 -3.3273 -3.3273 -2.6600 -2.6600 1.4066 1.4066 2.4363 2.4363 3.1187 3.1187 4.1438 4.1438 4.4953 4.4953 6.2416 6.2416 8.9131 8.9131 10.3454 10.3454 10.8971 10.8971 11.5121 11.5121 k = 0.5000 0.2887 0.0226 ( 5952 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5641 -35.5641 -3.3294 -3.3294 -2.6586 -2.6586 1.4175 1.4175 2.4574 2.4574 3.0932 3.0932 4.1411 4.1411 4.4686 4.4686 6.2496 6.2496 8.9084 8.9084 10.4222 10.4222 10.8638 10.8638 11.4908 11.4908 k = 0.5000 0.2887 0.0113 ( 5956 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5695 -35.5695 -35.5641 -35.5641 -3.3307 -3.3307 -2.6577 -2.6577 1.4242 1.4242 2.4704 2.4704 3.0778 3.0778 4.1394 4.1394 4.4522 4.4522 6.2545 6.2545 8.9056 8.9056 10.4791 10.4791 10.8331 10.8331 11.4780 11.4780 k = 0.5000 0.2887-0.0000 ( 5944 PWs) bands (ev): -92.9554 -92.9554 -92.9548 -92.9548 -68.9002 -68.9002 -35.8553 -35.8553 -35.5694 -35.5694 -35.5641 -35.5641 -3.3311 -3.3311 -2.6574 -2.6574 1.4265 1.4265 2.4748 2.4748 3.0725 3.0725 4.1389 4.1389 4.4466 4.4466 6.2562 6.2562 8.9047 8.9047 10.5013 10.5013 10.8197 10.8197 11.4737 11.4737 k = 0.3333 0.5774-0.0000 ( 5952 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7635 -2.7635 -2.7635 -2.7635 1.6707 1.6707 2.7270 2.7270 2.7439 2.7439 3.9666 3.9666 4.0141 4.0141 4.0146 4.0146 8.1378 8.1378 13.1731 13.1731 13.1785 13.1785 13.8107 13.8110 k = 0.3333 0.5774 0.0113 ( 5958 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7634 -2.7634 -2.7633 -2.7633 1.6716 1.6716 2.7222 2.7222 2.7391 2.7391 3.9638 3.9638 4.0208 4.0208 4.0211 4.0211 8.1436 8.1436 13.1312 13.1312 13.1361 13.1361 13.8421 13.8421 k = 0.3333 0.5774 0.0226 ( 5958 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7630 -2.7630 -2.7630 -2.7630 1.6745 1.6745 2.7084 2.7084 2.7251 2.7251 3.9549 3.9549 4.0406 4.0406 4.0407 4.0407 8.1610 8.1610 13.0253 13.0253 13.0293 13.0293 13.9143 13.9143 k = 0.3333 0.5774 0.0338 ( 5958 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7625 -2.7625 -2.7625 -2.7625 1.6792 1.6792 2.6864 2.6864 2.7027 2.7027 3.9398 3.9398 4.0726 4.0726 4.0726 4.0726 8.1899 8.1899 12.8852 12.8852 12.8883 12.8883 13.9983 13.9984 k = 0.3333 0.5774 0.0451 ( 5958 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7617 -2.7617 -2.7617 -2.7617 1.6858 1.6858 2.6574 2.6574 2.6733 2.6733 3.9187 3.9187 4.1154 4.1154 4.1157 4.1157 8.2299 8.2299 12.7281 12.7281 12.7306 12.7306 14.0770 14.0771 k = 0.3333 0.5774 0.0564 ( 5949 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7608 -2.7608 -2.7608 -2.7608 1.6942 1.6942 2.6230 2.6230 2.6384 2.6384 3.8922 3.8922 4.1674 4.1674 4.1681 4.1681 8.2807 8.2807 12.5627 12.5627 12.5647 12.5647 14.1435 14.1436 k = 0.3333 0.5774 0.0677 ( 5943 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7597 -2.7597 -2.7596 -2.7596 1.7044 1.7044 2.5846 2.5846 2.5995 2.5995 3.8607 3.8607 4.2272 4.2272 4.2283 4.2283 8.3418 8.3418 12.3934 12.3934 12.3949 12.3949 14.1978 14.1982 k = 0.3333 0.5774 0.0790 ( 5949 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7584 -2.7584 -2.7583 -2.7583 1.7163 1.7163 2.5433 2.5433 2.5578 2.5578 3.8249 3.8249 4.2933 4.2933 4.2949 4.2949 8.4126 8.4126 12.2228 12.2228 12.2240 12.2240 14.1888 14.1888 k = 0.3333 0.5774 0.0903 ( 5958 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7569 -2.7569 -2.7569 -2.7569 1.7299 1.7299 2.5005 2.5005 2.5145 2.5145 3.7853 3.7853 4.3643 4.3643 4.3664 4.3664 8.4926 8.4926 12.0528 12.0528 12.0537 12.0537 14.1014 14.1014 k = 0.3333 0.5774 0.1015 ( 5979 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5697 -35.5697 -35.5644 -35.5644 -2.7553 -2.7553 -2.7553 -2.7553 1.7451 1.7451 2.4568 2.4568 2.4704 2.4704 3.7424 3.7424 4.4393 4.4393 4.4418 4.4418 8.5814 8.5814 11.8846 11.8846 11.8852 11.8852 13.9736 13.9736 k = 0.3333 0.5774 0.1128 ( 5976 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5697 -35.5697 -35.5644 -35.5644 -2.7537 -2.7537 -2.7536 -2.7536 1.7618 1.7618 2.4132 2.4132 2.4265 2.4265 3.6970 3.6970 4.5171 4.5171 4.5200 4.5200 8.6783 8.6783 11.7194 11.7194 11.7197 11.7197 13.8284 13.8284 k = 0.3333 0.5774 0.1241 ( 5979 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5697 -35.5697 -35.5644 -35.5644 -2.7519 -2.7519 -2.7518 -2.7518 1.7799 1.7799 2.3703 2.3703 2.3832 2.3832 3.6496 3.6496 4.5967 4.5967 4.6001 4.6001 8.7828 8.7828 11.5578 11.5578 11.5579 11.5579 13.6728 13.6728 k = 0.3333 0.5774 0.1354 ( 5976 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5697 -35.5697 -35.5644 -35.5644 -2.7501 -2.7501 -2.7500 -2.7500 1.7992 1.7992 2.3285 2.3285 2.3412 2.3412 3.6009 3.6009 4.6774 4.6774 4.6812 4.6812 8.8945 8.8945 11.4007 11.4007 11.4009 11.4009 13.5093 13.5093 k = 0.3333 0.5774 0.1467 ( 5982 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5697 -35.5697 -35.5644 -35.5644 -2.7482 -2.7482 -2.7482 -2.7482 1.8197 1.8197 2.2883 2.2883 2.3007 2.3007 3.5513 3.5513 4.7583 4.7583 4.7625 4.7625 9.0127 9.0127 11.2488 11.2488 11.2492 11.2492 13.3400 13.3400 k = 0.3333 0.5774 0.1579 ( 5988 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5697 -35.5697 -35.5645 -35.5645 -2.7464 -2.7464 -2.7463 -2.7463 1.8411 1.8411 2.2500 2.2500 2.2623 2.2623 3.5016 3.5016 4.8385 4.8385 4.8430 4.8430 9.1371 9.1371 11.1030 11.1030 11.1037 11.1037 13.1662 13.1662 k = 0.3333 0.5774 0.1692 ( 5985 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5697 -35.5697 -35.5645 -35.5645 -2.7445 -2.7445 -2.7444 -2.7444 1.8631 1.8631 2.2140 2.2140 2.2260 2.2260 3.4522 3.4522 4.9173 4.9173 4.9221 4.9221 9.2673 9.2673 10.9641 10.9641 10.9650 10.9650 12.9889 12.9889 k = 0.3333 0.5774 0.1805 ( 5985 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5697 -35.5697 -35.5645 -35.5645 -2.7427 -2.7427 -2.7427 -2.7427 1.8856 1.8856 2.1805 2.1805 2.1923 2.1923 3.4038 3.4038 4.9937 4.9937 4.9989 4.9989 9.4027 9.4027 10.8328 10.8328 10.8339 10.8339 12.8092 12.8092 k = 0.3333 0.5774 0.1918 ( 5982 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5697 -35.5697 -35.5644 -35.5644 -2.7410 -2.7410 -2.7409 -2.7409 1.9082 1.9082 2.1496 2.1496 2.1613 2.1613 3.3570 3.3570 5.0669 5.0669 5.0724 5.0724 9.5431 9.5431 10.7101 10.7101 10.7114 10.7114 12.6278 12.6278 k = 0.3333 0.5774 0.2031 ( 5970 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7394 -2.7394 -2.7393 -2.7393 1.9305 1.9305 2.1215 2.1215 2.1331 2.1331 3.3124 3.3124 5.1361 5.1361 5.1418 5.1418 9.6881 9.6881 10.5967 10.5967 10.5982 10.5982 12.4454 12.4454 k = 0.3333 0.5774 0.2143 ( 5964 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7379 -2.7379 -2.7378 -2.7378 1.9521 1.9521 2.0965 2.0965 2.1080 2.1080 3.2706 3.2706 5.2001 5.2001 5.2061 5.2061 9.8373 9.8373 10.4936 10.4936 10.4953 10.4953 12.2628 12.2628 k = 0.3333 0.5774 0.2256 ( 5976 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5696 -35.5696 -35.5644 -35.5644 -2.7366 -2.7366 -2.7365 -2.7365 1.9726 1.9726 2.0746 2.0746 2.0860 2.0860 3.2323 3.2323 5.2582 5.2582 5.2644 5.2644 9.9903 9.9903 10.4018 10.4018 10.4036 10.4036 12.0804 12.0804 k = 0.3333 0.5774 0.2369 ( 5982 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8555 -35.8555 -35.5697 -35.5697 -35.5644 -35.5644 -2.7354 -2.7354 -2.7353 -2.7353 1.9913 1.9913 2.0558 2.0558 2.0673 2.0673 3.1982 3.1982 5.3093 5.3093 5.3158 5.3158 10.1467 10.1467 10.3221 10.3221 10.3241 10.3241 11.8989 11.8989 k = 0.3333 0.5774 0.2482 ( 6000 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8556 -35.8556 -35.5697 -35.5697 -35.5645 -35.5645 -2.7344 -2.7344 -2.7343 -2.7343 2.0076 2.0076 2.0404 2.0404 2.0519 2.0519 3.1690 3.1690 5.3527 5.3527 5.3593 5.3593 10.2552 10.2552 10.2575 10.2575 10.3061 10.3061 11.7190 11.7190 k = 0.3333 0.5774 0.2595 ( 6003 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8556 -35.8556 -35.5697 -35.5697 -35.5645 -35.5645 -2.7337 -2.7337 -2.7336 -2.7336 2.0208 2.0208 2.0284 2.0284 2.0402 2.0402 3.1454 3.1454 5.3873 5.3873 5.3941 5.3941 10.2025 10.2025 10.2048 10.2048 10.4671 10.4671 11.5418 11.5418 k = 0.3333 0.5774 0.2708 ( 6009 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8556 -35.8556 -35.5697 -35.5697 -35.5645 -35.5645 -2.7331 -2.7331 -2.7330 -2.7330 2.0197 2.0197 2.0276 2.0276 2.0349 2.0349 3.1281 3.1281 5.4126 5.4126 5.4195 5.4195 10.1642 10.1642 10.1666 10.1666 10.6277 10.6277 11.3695 11.3695 k = 0.3333 0.5774 0.2820 ( 6012 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8556 -35.8556 -35.5697 -35.5697 -35.5645 -35.5645 -2.7327 -2.7327 -2.7326 -2.7326 2.0145 2.0145 2.0246 2.0246 2.0390 2.0390 3.1174 3.1174 5.4281 5.4281 5.4350 5.4350 10.1410 10.1410 10.1434 10.1434 10.7796 10.7796 11.2107 11.2107 k = 0.3333 0.5774 0.2933 ( 6012 PWs) bands (ev): -92.9551 -92.9551 -92.9551 -92.9551 -68.9002 -68.9002 -35.8556 -35.8556 -35.5697 -35.5697 -35.5645 -35.5645 -2.7326 -2.7326 -2.7325 -2.7325 2.0128 2.0128 2.0231 2.0231 2.0409 2.0409 3.1138 3.1138 5.4332 5.4332 5.4402 5.4402 10.1332 10.1332 10.1357 10.1357 10.8673 10.8673 11.1206 11.1206 Writing output data file MgxBePx2.save init_run : 0.46s CPU 0.73s WALL ( 1 calls) electrons : 126.09s CPU 128.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.06s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 126.08s CPU 128.23s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 361 calls) cegterg : 115.50s CPU 117.15s WALL ( 527 calls) Called by sum_band: Called by *egterg: h_psi : 71.60s CPU 73.03s WALL ( 8539 calls) s_psi : 3.28s CPU 3.20s WALL ( 8539 calls) g_psi : 0.28s CPU 0.26s WALL ( 7651 calls) cdiaghg : 33.08s CPU 33.88s WALL ( 8012 calls) cegterg:over : 5.04s CPU 5.03s WALL ( 7651 calls) cegterg:upda : 5.50s CPU 5.15s WALL ( 7651 calls) cegterg:last : 2.79s CPU 2.70s WALL ( 1485 calls) cdiaghg:chol : 2.04s CPU 2.00s WALL ( 8012 calls) cdiaghg:inve : 0.90s CPU 0.92s WALL ( 8012 calls) cdiaghg:para : 1.98s CPU 2.04s WALL ( 16024 calls) Called by h_psi: h_psi:vloc : 63.10s CPU 64.56s WALL ( 8539 calls) h_psi:vnl : 8.25s CPU 8.24s WALL ( 8539 calls) add_vuspsi : 4.09s CPU 3.94s WALL ( 8539 calls) General routines calbec : 4.14s CPU 4.27s WALL ( 8539 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 54.59s CPU 55.62s WALL ( 646876 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.21s WALL ( 722 calls) Parallel routines fft_scatter : 21.30s CPU 21.70s WALL ( 646899 calls) PWSCF : 2m22.08s CPU 2m34.68s WALL This run was terminated on: 14:24:41 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=