Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:43:23 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: ./Mg.save/ file Mg.rel-pbe-spnl-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 27 16 5 1139 532 87 Max 29 17 6 1142 563 93 Sum 1003 595 187 41085 19687 3285 bravais-lattice index = 14 lattice parameter (alat) = 6.1121 a.u. unit-cell volume = 321.1376 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.112111 celldm(2)= 1.000000 celldm(3)= 1.624003 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 1.624003 ) 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 0.615762 ) 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 atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8120016 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8120016 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8120016 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8120016 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8120016 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8120016 ) isym = 11 180 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 = 12 180 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 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8120016 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8120016 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8120016 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8120016 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8120016 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8120016 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 409 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 2) = ( 0.0087719 0.0050645 -0.0000000), wk = 0.0024450 k( 3) = ( 0.0175439 0.0101290 -0.0000000), wk = 0.0024450 k( 4) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0024450 k( 5) = ( 0.0350877 0.0202579 -0.0000000), wk = 0.0024450 k( 6) = ( 0.0438597 0.0253224 -0.0000000), wk = 0.0024450 k( 7) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0024450 k( 8) = ( 0.0614035 0.0354513 -0.0000000), wk = 0.0024450 k( 9) = ( 0.0701754 0.0405158 -0.0000000), wk = 0.0024450 k( 10) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0024450 k( 11) = ( 0.0877193 0.0506448 -0.0000000), wk = 0.0024450 k( 12) = ( 0.0964912 0.0557092 -0.0000000), wk = 0.0024450 k( 13) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0024450 k( 14) = ( 0.1140351 0.0658382 -0.0000000), wk = 0.0024450 k( 15) = ( 0.1228070 0.0709027 -0.0000000), wk = 0.0024450 k( 16) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0024450 k( 17) = ( 0.1403509 0.0810316 -0.0000000), wk = 0.0024450 k( 18) = ( 0.1491228 0.0860961 -0.0000000), wk = 0.0024450 k( 19) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0024450 k( 20) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0024450 k( 21) = ( 0.1754386 0.1012895 -0.0000000), wk = 0.0024450 k( 22) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0024450 k( 23) = ( 0.1929825 0.1114185 -0.0000000), wk = 0.0024450 k( 24) = ( 0.2017544 0.1164830 -0.0000000), wk = 0.0024450 k( 25) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0024450 k( 26) = ( 0.2192983 0.1266119 -0.0000000), wk = 0.0024450 k( 27) = ( 0.2280702 0.1316764 -0.0000000), wk = 0.0024450 k( 28) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0024450 k( 29) = ( 0.2456140 0.1418053 -0.0000000), wk = 0.0024450 k( 30) = ( 0.2543860 0.1468698 -0.0000000), wk = 0.0024450 k( 31) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0024450 k( 32) = ( 0.2719298 0.1569988 -0.0000000), wk = 0.0024450 k( 33) = ( 0.2807018 0.1620632 -0.0000000), wk = 0.0024450 k( 34) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0024450 k( 35) = ( 0.2982456 0.1721922 -0.0000000), wk = 0.0024450 k( 36) = ( 0.3070175 0.1772567 -0.0000000), wk = 0.0024450 k( 37) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0024450 k( 38) = ( 0.3245614 0.1873856 -0.0000000), wk = 0.0024450 k( 39) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0024450 k( 40) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0024450 k( 41) = ( 0.3508772 0.2025790 -0.0000000), wk = 0.0024450 k( 42) = ( 0.3596491 0.2076435 -0.0000000), wk = 0.0024450 k( 43) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0024450 k( 44) = ( 0.3771930 0.2177725 -0.0000000), wk = 0.0024450 k( 45) = ( 0.3859649 0.2228369 -0.0000000), wk = 0.0024450 k( 46) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0024450 k( 47) = ( 0.4035088 0.2329659 -0.0000000), wk = 0.0024450 k( 48) = ( 0.4122807 0.2380304 -0.0000000), wk = 0.0024450 k( 49) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0024450 k( 50) = ( 0.4298246 0.2481593 -0.0000000), wk = 0.0024450 k( 51) = ( 0.4385965 0.2532238 -0.0000000), wk = 0.0024450 k( 52) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0024450 k( 53) = ( 0.4561404 0.2633528 -0.0000000), wk = 0.0024450 k( 54) = ( 0.4649123 0.2684172 -0.0000000), wk = 0.0024450 k( 55) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0024450 k( 56) = ( 0.4824561 0.2785462 -0.0000000), wk = 0.0024450 k( 57) = ( 0.4912281 0.2836107 -0.0000000), wk = 0.0024450 k( 58) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024450 k( 59) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024450 k( 60) = ( 0.4949495 0.2974229 -0.0000000), wk = 0.0024450 k( 61) = ( 0.4898990 0.3061706 -0.0000000), wk = 0.0024450 k( 62) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0024450 k( 63) = ( 0.4797980 0.3236661 -0.0000000), wk = 0.0024450 k( 64) = ( 0.4747475 0.3324138 -0.0000000), wk = 0.0024450 k( 65) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0024450 k( 66) = ( 0.4646465 0.3499093 -0.0000000), wk = 0.0024450 k( 67) = ( 0.4595960 0.3586570 -0.0000000), wk = 0.0024450 k( 68) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0024450 k( 69) = ( 0.4494950 0.3761524 -0.0000000), wk = 0.0024450 k( 70) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0024450 k( 71) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0024450 k( 72) = ( 0.4343434 0.4023956 -0.0000000), wk = 0.0024450 k( 73) = ( 0.4292929 0.4111434 -0.0000000), wk = 0.0024450 k( 74) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0024450 k( 75) = ( 0.4191919 0.4286388 -0.0000000), wk = 0.0024450 k( 76) = ( 0.4141414 0.4373866 -0.0000000), wk = 0.0024450 k( 77) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0024450 k( 78) = ( 0.4040404 0.4548820 -0.0000000), wk = 0.0024450 k( 79) = ( 0.3989899 0.4636298 -0.0000000), wk = 0.0024450 k( 80) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0024450 k( 81) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0024450 k( 82) = ( 0.3838384 0.4898730 -0.0000000), wk = 0.0024450 k( 83) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0024450 k( 84) = ( 0.3737374 0.5073684 -0.0000000), wk = 0.0024450 k( 85) = ( 0.3686869 0.5161161 -0.0000000), wk = 0.0024450 k( 86) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0024450 k( 87) = ( 0.3585859 0.5336116 -0.0000000), wk = 0.0024450 k( 88) = ( 0.3535354 0.5423593 -0.0000000), wk = 0.0024450 k( 89) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0024450 k( 90) = ( 0.3434343 0.5598548 -0.0000000), wk = 0.0024450 k( 91) = ( 0.3383838 0.5686025 -0.0000000), wk = 0.0024450 k( 92) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024450 k( 93) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024450 k( 94) = ( 0.3282051 0.5684680 -0.0000000), wk = 0.0024450 k( 95) = ( 0.3230769 0.5595856 -0.0000000), wk = 0.0024450 k( 96) = ( 0.3179487 0.5507033 -0.0000000), wk = 0.0024450 k( 97) = ( 0.3128205 0.5418210 -0.0000000), wk = 0.0024450 k( 98) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0024450 k( 99) = ( 0.3025641 0.5240564 -0.0000000), wk = 0.0024450 k( 100) = ( 0.2974359 0.5151741 -0.0000000), wk = 0.0024450 k( 101) = ( 0.2923077 0.5062918 -0.0000000), wk = 0.0024450 k( 102) = ( 0.2871795 0.4974095 -0.0000000), wk = 0.0024450 k( 103) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0024450 k( 104) = ( 0.2769231 0.4796448 -0.0000000), wk = 0.0024450 k( 105) = ( 0.2717949 0.4707625 -0.0000000), wk = 0.0024450 k( 106) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0024450 k( 107) = ( 0.2615385 0.4529979 -0.0000000), wk = 0.0024450 k( 108) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0024450 k( 109) = ( 0.2512820 0.4352333 -0.0000000), wk = 0.0024450 k( 110) = ( 0.2461539 0.4263510 -0.0000000), wk = 0.0024450 k( 111) = ( 0.2410256 0.4174687 -0.0000000), wk = 0.0024450 k( 112) = ( 0.2358974 0.4085864 -0.0000000), wk = 0.0024450 k( 113) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0024450 k( 114) = ( 0.2256410 0.3908217 -0.0000000), wk = 0.0024450 k( 115) = ( 0.2205128 0.3819394 -0.0000000), wk = 0.0024450 k( 116) = ( 0.2153846 0.3730571 -0.0000000), wk = 0.0024450 k( 117) = ( 0.2102564 0.3641748 -0.0000000), wk = 0.0024450 k( 118) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0024450 k( 119) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0024450 k( 120) = ( 0.1948718 0.3375278 -0.0000000), wk = 0.0024450 k( 121) = ( 0.1897436 0.3286455 -0.0000000), wk = 0.0024450 k( 122) = ( 0.1846154 0.3197632 -0.0000000), wk = 0.0024450 k( 123) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0024450 k( 124) = ( 0.1743590 0.3019986 -0.0000000), wk = 0.0024450 k( 125) = ( 0.1692308 0.2931163 -0.0000000), wk = 0.0024450 k( 126) = ( 0.1641026 0.2842340 -0.0000000), wk = 0.0024450 k( 127) = ( 0.1589744 0.2753517 -0.0000000), wk = 0.0024450 k( 128) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0024450 k( 129) = ( 0.1487179 0.2575870 -0.0000000), wk = 0.0024450 k( 130) = ( 0.1435897 0.2487047 -0.0000000), wk = 0.0024450 k( 131) = ( 0.1384615 0.2398224 -0.0000000), wk = 0.0024450 k( 132) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0024450 k( 133) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0024450 k( 134) = ( 0.1230769 0.2131755 -0.0000000), wk = 0.0024450 k( 135) = ( 0.1179487 0.2042932 -0.0000000), wk = 0.0024450 k( 136) = ( 0.1128205 0.1954109 -0.0000000), wk = 0.0024450 k( 137) = ( 0.1076923 0.1865286 -0.0000000), wk = 0.0024450 k( 138) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0024450 k( 139) = ( 0.0974359 0.1687639 -0.0000000), wk = 0.0024450 k( 140) = ( 0.0923077 0.1598816 -0.0000000), wk = 0.0024450 k( 141) = ( 0.0871795 0.1509993 -0.0000000), wk = 0.0024450 k( 142) = ( 0.0820513 0.1421170 -0.0000000), wk = 0.0024450 k( 143) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0024450 k( 144) = ( 0.0717949 0.1243524 -0.0000000), wk = 0.0024450 k( 145) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0024450 k( 146) = ( 0.0615385 0.1065877 -0.0000000), wk = 0.0024450 k( 147) = ( 0.0564103 0.0977054 -0.0000000), wk = 0.0024450 k( 148) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0024450 k( 149) = ( 0.0461539 0.0799408 -0.0000000), wk = 0.0024450 k( 150) = ( 0.0410256 0.0710585 -0.0000000), wk = 0.0024450 k( 151) = ( 0.0358974 0.0621762 -0.0000000), wk = 0.0024450 k( 152) = ( 0.0307692 0.0532939 -0.0000000), wk = 0.0024450 k( 153) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0024450 k( 154) = ( 0.0205128 0.0355292 -0.0000000), wk = 0.0024450 k( 155) = ( 0.0153846 0.0266469 -0.0000000), wk = 0.0024450 k( 156) = ( 0.0102564 0.0177646 -0.0000000), wk = 0.0024450 k( 157) = ( 0.0051282 0.0088823 -0.0000000), wk = 0.0024450 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 160) = ( 0.0000000 0.0000000 0.0102627), wk = 0.0024450 k( 161) = ( 0.0000000 0.0000000 0.0205254), wk = 0.0024450 k( 162) = ( 0.0000000 0.0000000 0.0307881), wk = 0.0024450 k( 163) = ( 0.0000000 0.0000000 0.0410508), wk = 0.0024450 k( 164) = ( 0.0000000 0.0000000 0.0513135), wk = 0.0024450 k( 165) = ( 0.0000000 0.0000000 0.0615762), wk = 0.0024450 k( 166) = ( 0.0000000 0.0000000 0.0718389), wk = 0.0024450 k( 167) = ( 0.0000000 0.0000000 0.0821016), wk = 0.0024450 k( 168) = ( 0.0000000 0.0000000 0.0923643), wk = 0.0024450 k( 169) = ( 0.0000000 0.0000000 0.1026271), wk = 0.0024450 k( 170) = ( 0.0000000 0.0000000 0.1128898), wk = 0.0024450 k( 171) = ( 0.0000000 0.0000000 0.1231525), wk = 0.0024450 k( 172) = ( 0.0000000 0.0000000 0.1334152), wk = 0.0024450 k( 173) = ( 0.0000000 0.0000000 0.1436779), wk = 0.0024450 k( 174) = ( 0.0000000 0.0000000 0.1539406), wk = 0.0024450 k( 175) = ( 0.0000000 0.0000000 0.1642033), wk = 0.0024450 k( 176) = ( 0.0000000 0.0000000 0.1744660), wk = 0.0024450 k( 177) = ( 0.0000000 0.0000000 0.1847287), wk = 0.0024450 k( 178) = ( 0.0000000 0.0000000 0.1949914), wk = 0.0024450 k( 179) = ( 0.0000000 0.0000000 0.2052541), wk = 0.0024450 k( 180) = ( 0.0000000 0.0000000 0.2155168), wk = 0.0024450 k( 181) = ( 0.0000000 0.0000000 0.2257795), wk = 0.0024450 k( 182) = ( 0.0000000 0.0000000 0.2360422), wk = 0.0024450 k( 183) = ( 0.0000000 0.0000000 0.2463049), wk = 0.0024450 k( 184) = ( 0.0000000 0.0000000 0.2565676), wk = 0.0024450 k( 185) = ( 0.0000000 0.0000000 0.2668303), wk = 0.0024450 k( 186) = ( 0.0000000 0.0000000 0.2770930), wk = 0.0024450 k( 187) = ( 0.0000000 0.0000000 0.2873557), wk = 0.0024450 k( 188) = ( 0.0000000 0.0000000 0.2976184), wk = 0.0024450 k( 189) = ( 0.0000000 0.0000000 0.3078811), wk = 0.0024450 k( 190) = ( 0.0000000 0.0000000 0.3078811), wk = 0.0024450 k( 191) = ( 0.0087719 0.0050645 0.3078811), wk = 0.0024450 k( 192) = ( 0.0175439 0.0101290 0.3078811), wk = 0.0024450 k( 193) = ( 0.0263158 0.0151934 0.3078811), wk = 0.0024450 k( 194) = ( 0.0350877 0.0202579 0.3078811), wk = 0.0024450 k( 195) = ( 0.0438597 0.0253224 0.3078811), wk = 0.0024450 k( 196) = ( 0.0526316 0.0303869 0.3078811), wk = 0.0024450 k( 197) = ( 0.0614035 0.0354513 0.3078811), wk = 0.0024450 k( 198) = ( 0.0701754 0.0405158 0.3078811), wk = 0.0024450 k( 199) = ( 0.0789474 0.0455803 0.3078811), wk = 0.0024450 k( 200) = ( 0.0877193 0.0506448 0.3078811), wk = 0.0024450 k( 201) = ( 0.0964912 0.0557092 0.3078811), wk = 0.0024450 k( 202) = ( 0.1052632 0.0607737 0.3078811), wk = 0.0024450 k( 203) = ( 0.1140351 0.0658382 0.3078811), wk = 0.0024450 k( 204) = ( 0.1228070 0.0709027 0.3078811), wk = 0.0024450 k( 205) = ( 0.1315790 0.0759671 0.3078811), wk = 0.0024450 k( 206) = ( 0.1403509 0.0810316 0.3078811), wk = 0.0024450 k( 207) = ( 0.1491228 0.0860961 0.3078811), wk = 0.0024450 k( 208) = ( 0.1578947 0.0911606 0.3078811), wk = 0.0024450 k( 209) = ( 0.1666667 0.0962250 0.3078811), wk = 0.0024450 k( 210) = ( 0.1754386 0.1012895 0.3078811), wk = 0.0024450 k( 211) = ( 0.1842105 0.1063540 0.3078811), wk = 0.0024450 k( 212) = ( 0.1929825 0.1114185 0.3078811), wk = 0.0024450 k( 213) = ( 0.2017544 0.1164830 0.3078811), wk = 0.0024450 k( 214) = ( 0.2105263 0.1215474 0.3078811), wk = 0.0024450 k( 215) = ( 0.2192983 0.1266119 0.3078811), wk = 0.0024450 k( 216) = ( 0.2280702 0.1316764 0.3078811), wk = 0.0024450 k( 217) = ( 0.2368421 0.1367409 0.3078811), wk = 0.0024450 k( 218) = ( 0.2456140 0.1418053 0.3078811), wk = 0.0024450 k( 219) = ( 0.2543860 0.1468698 0.3078811), wk = 0.0024450 k( 220) = ( 0.2631579 0.1519343 0.3078811), wk = 0.0024450 k( 221) = ( 0.2719298 0.1569988 0.3078811), wk = 0.0024450 k( 222) = ( 0.2807018 0.1620632 0.3078811), wk = 0.0024450 k( 223) = ( 0.2894737 0.1671277 0.3078811), wk = 0.0024450 k( 224) = ( 0.2982456 0.1721922 0.3078811), wk = 0.0024450 k( 225) = ( 0.3070175 0.1772567 0.3078811), wk = 0.0024450 k( 226) = ( 0.3157895 0.1823211 0.3078811), wk = 0.0024450 k( 227) = ( 0.3245614 0.1873856 0.3078811), wk = 0.0024450 k( 228) = ( 0.3333333 0.1924501 0.3078811), wk = 0.0024450 k( 229) = ( 0.3421053 0.1975146 0.3078811), wk = 0.0024450 k( 230) = ( 0.3508772 0.2025790 0.3078811), wk = 0.0024450 k( 231) = ( 0.3596491 0.2076435 0.3078811), wk = 0.0024450 k( 232) = ( 0.3684211 0.2127080 0.3078811), wk = 0.0024450 k( 233) = ( 0.3771930 0.2177725 0.3078811), wk = 0.0024450 k( 234) = ( 0.3859649 0.2228369 0.3078811), wk = 0.0024450 k( 235) = ( 0.3947368 0.2279014 0.3078811), wk = 0.0024450 k( 236) = ( 0.4035088 0.2329659 0.3078811), wk = 0.0024450 k( 237) = ( 0.4122807 0.2380304 0.3078811), wk = 0.0024450 k( 238) = ( 0.4210526 0.2430948 0.3078811), wk = 0.0024450 k( 239) = ( 0.4298246 0.2481593 0.3078811), wk = 0.0024450 k( 240) = ( 0.4385965 0.2532238 0.3078811), wk = 0.0024450 k( 241) = ( 0.4473684 0.2582883 0.3078811), wk = 0.0024450 k( 242) = ( 0.4561404 0.2633528 0.3078811), wk = 0.0024450 k( 243) = ( 0.4649123 0.2684172 0.3078811), wk = 0.0024450 k( 244) = ( 0.4736842 0.2734817 0.3078811), wk = 0.0024450 k( 245) = ( 0.4824561 0.2785462 0.3078811), wk = 0.0024450 k( 246) = ( 0.4912281 0.2836107 0.3078811), wk = 0.0024450 k( 247) = ( 0.5000000 0.2886751 0.3078811), wk = 0.0024450 k( 248) = ( 0.5000000 0.2886751 0.3078811), wk = 0.0024450 k( 249) = ( 0.4949495 0.2974229 0.3078811), wk = 0.0024450 k( 250) = ( 0.4898990 0.3061706 0.3078811), wk = 0.0024450 k( 251) = ( 0.4848485 0.3149183 0.3078811), wk = 0.0024450 k( 252) = ( 0.4797980 0.3236661 0.3078811), wk = 0.0024450 k( 253) = ( 0.4747475 0.3324138 0.3078811), wk = 0.0024450 k( 254) = ( 0.4696970 0.3411615 0.3078811), wk = 0.0024450 k( 255) = ( 0.4646465 0.3499093 0.3078811), wk = 0.0024450 k( 256) = ( 0.4595960 0.3586570 0.3078811), wk = 0.0024450 k( 257) = ( 0.4545455 0.3674047 0.3078811), wk = 0.0024450 k( 258) = ( 0.4494950 0.3761524 0.3078811), wk = 0.0024450 k( 259) = ( 0.4444444 0.3849002 0.3078811), wk = 0.0024450 k( 260) = ( 0.4393939 0.3936479 0.3078811), wk = 0.0024450 k( 261) = ( 0.4343434 0.4023956 0.3078811), wk = 0.0024450 k( 262) = ( 0.4292929 0.4111434 0.3078811), wk = 0.0024450 k( 263) = ( 0.4242424 0.4198911 0.3078811), wk = 0.0024450 k( 264) = ( 0.4191919 0.4286388 0.3078811), wk = 0.0024450 k( 265) = ( 0.4141414 0.4373866 0.3078811), wk = 0.0024450 k( 266) = ( 0.4090909 0.4461343 0.3078811), wk = 0.0024450 k( 267) = ( 0.4040404 0.4548820 0.3078811), wk = 0.0024450 k( 268) = ( 0.3989899 0.4636298 0.3078811), wk = 0.0024450 k( 269) = ( 0.3939394 0.4723775 0.3078811), wk = 0.0024450 k( 270) = ( 0.3888889 0.4811252 0.3078811), wk = 0.0024450 k( 271) = ( 0.3838384 0.4898730 0.3078811), wk = 0.0024450 k( 272) = ( 0.3787879 0.4986207 0.3078811), wk = 0.0024450 k( 273) = ( 0.3737374 0.5073684 0.3078811), wk = 0.0024450 k( 274) = ( 0.3686869 0.5161161 0.3078811), wk = 0.0024450 k( 275) = ( 0.3636364 0.5248639 0.3078811), wk = 0.0024450 k( 276) = ( 0.3585859 0.5336116 0.3078811), wk = 0.0024450 k( 277) = ( 0.3535354 0.5423593 0.3078811), wk = 0.0024450 k( 278) = ( 0.3484849 0.5511071 0.3078811), wk = 0.0024450 k( 279) = ( 0.3434343 0.5598548 0.3078811), wk = 0.0024450 k( 280) = ( 0.3383838 0.5686025 0.3078811), wk = 0.0024450 k( 281) = ( 0.3333333 0.5773503 0.3078811), wk = 0.0024450 k( 282) = ( 0.3333333 0.5773503 0.3078811), wk = 0.0024450 k( 283) = ( 0.3282051 0.5684680 0.3078811), wk = 0.0024450 k( 284) = ( 0.3230769 0.5595856 0.3078811), wk = 0.0024450 k( 285) = ( 0.3179487 0.5507033 0.3078811), wk = 0.0024450 k( 286) = ( 0.3128205 0.5418210 0.3078811), wk = 0.0024450 k( 287) = ( 0.3076923 0.5329387 0.3078811), wk = 0.0024450 k( 288) = ( 0.3025641 0.5240564 0.3078811), wk = 0.0024450 k( 289) = ( 0.2974359 0.5151741 0.3078811), wk = 0.0024450 k( 290) = ( 0.2923077 0.5062918 0.3078811), wk = 0.0024450 k( 291) = ( 0.2871795 0.4974095 0.3078811), wk = 0.0024450 k( 292) = ( 0.2820513 0.4885271 0.3078811), wk = 0.0024450 k( 293) = ( 0.2769231 0.4796448 0.3078811), wk = 0.0024450 k( 294) = ( 0.2717949 0.4707625 0.3078811), wk = 0.0024450 k( 295) = ( 0.2666667 0.4618802 0.3078811), wk = 0.0024450 k( 296) = ( 0.2615385 0.4529979 0.3078811), wk = 0.0024450 k( 297) = ( 0.2564103 0.4441156 0.3078811), wk = 0.0024450 k( 298) = ( 0.2512820 0.4352333 0.3078811), wk = 0.0024450 k( 299) = ( 0.2461539 0.4263510 0.3078811), wk = 0.0024450 k( 300) = ( 0.2410256 0.4174687 0.3078811), wk = 0.0024450 k( 301) = ( 0.2358974 0.4085864 0.3078811), wk = 0.0024450 k( 302) = ( 0.2307692 0.3997040 0.3078811), wk = 0.0024450 k( 303) = ( 0.2256410 0.3908217 0.3078811), wk = 0.0024450 k( 304) = ( 0.2205128 0.3819394 0.3078811), wk = 0.0024450 k( 305) = ( 0.2153846 0.3730571 0.3078811), wk = 0.0024450 k( 306) = ( 0.2102564 0.3641748 0.3078811), wk = 0.0024450 k( 307) = ( 0.2051282 0.3552925 0.3078811), wk = 0.0024450 k( 308) = ( 0.2000000 0.3464102 0.3078811), wk = 0.0024450 k( 309) = ( 0.1948718 0.3375278 0.3078811), wk = 0.0024450 k( 310) = ( 0.1897436 0.3286455 0.3078811), wk = 0.0024450 k( 311) = ( 0.1846154 0.3197632 0.3078811), wk = 0.0024450 k( 312) = ( 0.1794872 0.3108809 0.3078811), wk = 0.0024450 k( 313) = ( 0.1743590 0.3019986 0.3078811), wk = 0.0024450 k( 314) = ( 0.1692308 0.2931163 0.3078811), wk = 0.0024450 k( 315) = ( 0.1641026 0.2842340 0.3078811), wk = 0.0024450 k( 316) = ( 0.1589744 0.2753517 0.3078811), wk = 0.0024450 k( 317) = ( 0.1538461 0.2664693 0.3078811), wk = 0.0024450 k( 318) = ( 0.1487179 0.2575870 0.3078811), wk = 0.0024450 k( 319) = ( 0.1435897 0.2487047 0.3078811), wk = 0.0024450 k( 320) = ( 0.1384615 0.2398224 0.3078811), wk = 0.0024450 k( 321) = ( 0.1333333 0.2309401 0.3078811), wk = 0.0024450 k( 322) = ( 0.1282051 0.2220578 0.3078811), wk = 0.0024450 k( 323) = ( 0.1230769 0.2131755 0.3078811), wk = 0.0024450 k( 324) = ( 0.1179487 0.2042932 0.3078811), wk = 0.0024450 k( 325) = ( 0.1128205 0.1954109 0.3078811), wk = 0.0024450 k( 326) = ( 0.1076923 0.1865286 0.3078811), wk = 0.0024450 k( 327) = ( 0.1025641 0.1776462 0.3078811), wk = 0.0024450 k( 328) = ( 0.0974359 0.1687639 0.3078811), wk = 0.0024450 k( 329) = ( 0.0923077 0.1598816 0.3078811), wk = 0.0024450 k( 330) = ( 0.0871795 0.1509993 0.3078811), wk = 0.0024450 k( 331) = ( 0.0820513 0.1421170 0.3078811), wk = 0.0024450 k( 332) = ( 0.0769231 0.1332347 0.3078811), wk = 0.0024450 k( 333) = ( 0.0717949 0.1243524 0.3078811), wk = 0.0024450 k( 334) = ( 0.0666667 0.1154701 0.3078811), wk = 0.0024450 k( 335) = ( 0.0615385 0.1065877 0.3078811), wk = 0.0024450 k( 336) = ( 0.0564103 0.0977054 0.3078811), wk = 0.0024450 k( 337) = ( 0.0512821 0.0888231 0.3078811), wk = 0.0024450 k( 338) = ( 0.0461539 0.0799408 0.3078811), wk = 0.0024450 k( 339) = ( 0.0410256 0.0710585 0.3078811), wk = 0.0024450 k( 340) = ( 0.0358974 0.0621762 0.3078811), wk = 0.0024450 k( 341) = ( 0.0307692 0.0532939 0.3078811), wk = 0.0024450 k( 342) = ( 0.0256410 0.0444116 0.3078811), wk = 0.0024450 k( 343) = ( 0.0205128 0.0355292 0.3078811), wk = 0.0024450 k( 344) = ( 0.0153846 0.0266469 0.3078811), wk = 0.0024450 k( 345) = ( 0.0102564 0.0177646 0.3078811), wk = 0.0024450 k( 346) = ( 0.0051282 0.0088823 0.3078811), wk = 0.0024450 k( 347) = ( 0.0000000 0.0000000 0.3078811), wk = 0.0024450 k( 348) = ( 0.5000000 0.2886751 0.3078811), wk = 0.0024450 k( 349) = ( 0.5000000 0.2886751 0.2976184), wk = 0.0024450 k( 350) = ( 0.5000000 0.2886751 0.2873557), wk = 0.0024450 k( 351) = ( 0.5000000 0.2886751 0.2770930), wk = 0.0024450 k( 352) = ( 0.5000000 0.2886751 0.2668303), wk = 0.0024450 k( 353) = ( 0.5000000 0.2886751 0.2565676), wk = 0.0024450 k( 354) = ( 0.5000000 0.2886751 0.2463049), wk = 0.0024450 k( 355) = ( 0.5000000 0.2886751 0.2360422), wk = 0.0024450 k( 356) = ( 0.5000000 0.2886751 0.2257795), wk = 0.0024450 k( 357) = ( 0.5000000 0.2886751 0.2155168), wk = 0.0024450 k( 358) = ( 0.5000000 0.2886751 0.2052541), wk = 0.0024450 k( 359) = ( 0.5000000 0.2886751 0.1949914), wk = 0.0024450 k( 360) = ( 0.5000000 0.2886751 0.1847287), wk = 0.0024450 k( 361) = ( 0.5000000 0.2886751 0.1744660), wk = 0.0024450 k( 362) = ( 0.5000000 0.2886751 0.1642033), wk = 0.0024450 k( 363) = ( 0.5000000 0.2886751 0.1539406), wk = 0.0024450 k( 364) = ( 0.5000000 0.2886751 0.1436779), wk = 0.0024450 k( 365) = ( 0.5000000 0.2886751 0.1334152), wk = 0.0024450 k( 366) = ( 0.5000000 0.2886751 0.1231525), wk = 0.0024450 k( 367) = ( 0.5000000 0.2886751 0.1128898), wk = 0.0024450 k( 368) = ( 0.5000000 0.2886751 0.1026271), wk = 0.0024450 k( 369) = ( 0.5000000 0.2886751 0.0923643), wk = 0.0024450 k( 370) = ( 0.5000000 0.2886751 0.0821016), wk = 0.0024450 k( 371) = ( 0.5000000 0.2886751 0.0718389), wk = 0.0024450 k( 372) = ( 0.5000000 0.2886751 0.0615762), wk = 0.0024450 k( 373) = ( 0.5000000 0.2886751 0.0513135), wk = 0.0024450 k( 374) = ( 0.5000000 0.2886751 0.0410508), wk = 0.0024450 k( 375) = ( 0.5000000 0.2886751 0.0307881), wk = 0.0024450 k( 376) = ( 0.5000000 0.2886751 0.0205254), wk = 0.0024450 k( 377) = ( 0.5000000 0.2886751 0.0102627), wk = 0.0024450 k( 378) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024450 k( 379) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024450 k( 380) = ( 0.3333333 0.5773503 0.0102627), wk = 0.0024450 k( 381) = ( 0.3333333 0.5773503 0.0205254), wk = 0.0024450 k( 382) = ( 0.3333333 0.5773503 0.0307881), wk = 0.0024450 k( 383) = ( 0.3333333 0.5773503 0.0410508), wk = 0.0024450 k( 384) = ( 0.3333333 0.5773503 0.0513135), wk = 0.0024450 k( 385) = ( 0.3333333 0.5773503 0.0615762), wk = 0.0024450 k( 386) = ( 0.3333333 0.5773503 0.0718389), wk = 0.0024450 k( 387) = ( 0.3333333 0.5773503 0.0821016), wk = 0.0024450 k( 388) = ( 0.3333333 0.5773503 0.0923643), wk = 0.0024450 k( 389) = ( 0.3333333 0.5773503 0.1026271), wk = 0.0024450 k( 390) = ( 0.3333333 0.5773503 0.1128898), wk = 0.0024450 k( 391) = ( 0.3333333 0.5773503 0.1231525), wk = 0.0024450 k( 392) = ( 0.3333333 0.5773503 0.1334152), wk = 0.0024450 k( 393) = ( 0.3333333 0.5773503 0.1436779), wk = 0.0024450 k( 394) = ( 0.3333333 0.5773503 0.1539406), wk = 0.0024450 k( 395) = ( 0.3333333 0.5773503 0.1642033), wk = 0.0024450 k( 396) = ( 0.3333333 0.5773503 0.1744660), wk = 0.0024450 k( 397) = ( 0.3333333 0.5773503 0.1847287), wk = 0.0024450 k( 398) = ( 0.3333333 0.5773503 0.1949914), wk = 0.0024450 k( 399) = ( 0.3333333 0.5773503 0.2052541), wk = 0.0024450 k( 400) = ( 0.3333333 0.5773503 0.2155168), wk = 0.0024450 k( 401) = ( 0.3333333 0.5773503 0.2257795), wk = 0.0024450 k( 402) = ( 0.3333333 0.5773503 0.2360422), wk = 0.0024450 k( 403) = ( 0.3333333 0.5773503 0.2463049), wk = 0.0024450 k( 404) = ( 0.3333333 0.5773503 0.2565676), wk = 0.0024450 k( 405) = ( 0.3333333 0.5773503 0.2668303), wk = 0.0024450 k( 406) = ( 0.3333333 0.5773503 0.2770930), wk = 0.0024450 k( 407) = ( 0.3333333 0.5773503 0.2873557), wk = 0.0024450 k( 408) = ( 0.3333333 0.5773503 0.2976184), wk = 0.0024450 k( 409) = ( 0.3333333 0.5773503 0.3078811), wk = 0.0024450 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 2) = ( 0.0087719 -0.0000000 -0.0000000), wk = 0.0024450 k( 3) = ( 0.0175439 -0.0000000 -0.0000000), wk = 0.0024450 k( 4) = ( 0.0263158 -0.0000000 0.0000000), wk = 0.0024450 k( 5) = ( 0.0350877 -0.0000000 -0.0000000), wk = 0.0024450 k( 6) = ( 0.0438597 0.0000000 0.0000000), wk = 0.0024450 k( 7) = ( 0.0526316 -0.0000000 0.0000000), wk = 0.0024450 k( 8) = ( 0.0614035 -0.0000000 0.0000000), wk = 0.0024450 k( 9) = ( 0.0701754 -0.0000000 -0.0000000), wk = 0.0024450 k( 10) = ( 0.0789474 -0.0000000 0.0000000), wk = 0.0024450 k( 11) = ( 0.0877193 0.0000000 0.0000000), wk = 0.0024450 k( 12) = ( 0.0964912 -0.0000000 -0.0000000), wk = 0.0024450 k( 13) = ( 0.1052632 -0.0000000 0.0000000), wk = 0.0024450 k( 14) = ( 0.1140351 0.0000000 0.0000000), wk = 0.0024450 k( 15) = ( 0.1228070 -0.0000000 0.0000000), wk = 0.0024450 k( 16) = ( 0.1315790 -0.0000000 0.0000000), wk = 0.0024450 k( 17) = ( 0.1403509 -0.0000000 -0.0000000), wk = 0.0024450 k( 18) = ( 0.1491228 -0.0000000 0.0000000), wk = 0.0024450 k( 19) = ( 0.1578947 -0.0000000 0.0000000), wk = 0.0024450 k( 20) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0024450 k( 21) = ( 0.1754386 0.0000000 0.0000000), wk = 0.0024450 k( 22) = ( 0.1842105 0.0000000 0.0000000), wk = 0.0024450 k( 23) = ( 0.1929825 -0.0000000 -0.0000000), wk = 0.0024450 k( 24) = ( 0.2017544 -0.0000000 0.0000000), wk = 0.0024450 k( 25) = ( 0.2105263 -0.0000000 0.0000000), wk = 0.0024450 k( 26) = ( 0.2192983 -0.0000000 0.0000000), wk = 0.0024450 k( 27) = ( 0.2280702 0.0000000 0.0000000), wk = 0.0024450 k( 28) = ( 0.2368421 0.0000000 0.0000000), wk = 0.0024450 k( 29) = ( 0.2456140 -0.0000000 0.0000000), wk = 0.0024450 k( 30) = ( 0.2543860 -0.0000000 0.0000000), wk = 0.0024450 k( 31) = ( 0.2631579 -0.0000000 0.0000000), wk = 0.0024450 k( 32) = ( 0.2719298 -0.0000000 0.0000000), wk = 0.0024450 k( 33) = ( 0.2807018 -0.0000000 0.0000000), wk = 0.0024450 k( 34) = ( 0.2894737 -0.0000000 0.0000000), wk = 0.0024450 k( 35) = ( 0.2982456 -0.0000000 0.0000000), wk = 0.0024450 k( 36) = ( 0.3070175 -0.0000000 0.0000000), wk = 0.0024450 k( 37) = ( 0.3157895 -0.0000000 0.0000000), wk = 0.0024450 k( 38) = ( 0.3245614 -0.0000000 0.0000000), wk = 0.0024450 k( 39) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0024450 k( 40) = ( 0.3421053 -0.0000000 0.0000000), wk = 0.0024450 k( 41) = ( 0.3508772 -0.0000000 0.0000000), wk = 0.0024450 k( 42) = ( 0.3596491 -0.0000000 0.0000000), wk = 0.0024450 k( 43) = ( 0.3684211 0.0000000 0.0000000), wk = 0.0024450 k( 44) = ( 0.3771930 -0.0000000 0.0000000), wk = 0.0024450 k( 45) = ( 0.3859649 -0.0000000 0.0000000), wk = 0.0024450 k( 46) = ( 0.3947368 -0.0000000 0.0000000), wk = 0.0024450 k( 47) = ( 0.4035088 -0.0000000 -0.0000000), wk = 0.0024450 k( 48) = ( 0.4122807 -0.0000000 -0.0000000), wk = 0.0024450 k( 49) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0024450 k( 50) = ( 0.4298246 -0.0000000 0.0000000), wk = 0.0024450 k( 51) = ( 0.4385965 0.0000000 0.0000000), wk = 0.0024450 k( 52) = ( 0.4473684 0.0000000 0.0000000), wk = 0.0024450 k( 53) = ( 0.4561404 -0.0000000 0.0000000), wk = 0.0024450 k( 54) = ( 0.4649123 -0.0000000 0.0000000), wk = 0.0024450 k( 55) = ( 0.4736842 -0.0000000 0.0000000), wk = 0.0024450 k( 56) = ( 0.4824561 -0.0000000 0.0000000), wk = 0.0024450 k( 57) = ( 0.4912281 0.0000000 0.0000000), wk = 0.0024450 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024450 k( 59) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024450 k( 60) = ( 0.4949495 0.0101010 0.0000000), wk = 0.0024450 k( 61) = ( 0.4898990 0.0202020 0.0000000), wk = 0.0024450 k( 62) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0024450 k( 63) = ( 0.4797980 0.0404040 0.0000000), wk = 0.0024450 k( 64) = ( 0.4747475 0.0505050 0.0000000), wk = 0.0024450 k( 65) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0024450 k( 66) = ( 0.4646465 0.0707071 0.0000000), wk = 0.0024450 k( 67) = ( 0.4595960 0.0808081 -0.0000000), wk = 0.0024450 k( 68) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0024450 k( 69) = ( 0.4494950 0.1010101 0.0000000), wk = 0.0024450 k( 70) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0024450 k( 71) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0024450 k( 72) = ( 0.4343434 0.1313131 0.0000000), wk = 0.0024450 k( 73) = ( 0.4292929 0.1414141 0.0000000), wk = 0.0024450 k( 74) = ( 0.4242424 0.1515152 0.0000000), wk = 0.0024450 k( 75) = ( 0.4191919 0.1616162 0.0000000), wk = 0.0024450 k( 76) = ( 0.4141414 0.1717172 -0.0000000), wk = 0.0024450 k( 77) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0024450 k( 78) = ( 0.4040404 0.1919192 -0.0000000), wk = 0.0024450 k( 79) = ( 0.3989899 0.2020202 -0.0000000), wk = 0.0024450 k( 80) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0024450 k( 81) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0024450 k( 82) = ( 0.3838384 0.2323232 -0.0000000), wk = 0.0024450 k( 83) = ( 0.3787879 0.2424242 -0.0000000), wk = 0.0024450 k( 84) = ( 0.3737374 0.2525252 0.0000000), wk = 0.0024450 k( 85) = ( 0.3686869 0.2626263 0.0000000), wk = 0.0024450 k( 86) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0024450 k( 87) = ( 0.3585859 0.2828283 -0.0000000), wk = 0.0024450 k( 88) = ( 0.3535354 0.2929293 0.0000000), wk = 0.0024450 k( 89) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0024450 k( 90) = ( 0.3434343 0.3131313 -0.0000000), wk = 0.0024450 k( 91) = ( 0.3383838 0.3232323 0.0000000), wk = 0.0024450 k( 92) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024450 k( 93) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024450 k( 94) = ( 0.3282051 0.3282051 -0.0000000), wk = 0.0024450 k( 95) = ( 0.3230769 0.3230769 0.0000000), wk = 0.0024450 k( 96) = ( 0.3179487 0.3179487 -0.0000000), wk = 0.0024450 k( 97) = ( 0.3128205 0.3128205 -0.0000000), wk = 0.0024450 k( 98) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0024450 k( 99) = ( 0.3025641 0.3025641 0.0000000), wk = 0.0024450 k( 100) = ( 0.2974359 0.2974359 -0.0000000), wk = 0.0024450 k( 101) = ( 0.2923077 0.2923077 0.0000000), wk = 0.0024450 k( 102) = ( 0.2871795 0.2871795 0.0000000), wk = 0.0024450 k( 103) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0024450 k( 104) = ( 0.2769231 0.2769231 0.0000000), wk = 0.0024450 k( 105) = ( 0.2717949 0.2717949 0.0000000), wk = 0.0024450 k( 106) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0024450 k( 107) = ( 0.2615385 0.2615385 0.0000000), wk = 0.0024450 k( 108) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0024450 k( 109) = ( 0.2512820 0.2512820 0.0000000), wk = 0.0024450 k( 110) = ( 0.2461539 0.2461539 0.0000000), wk = 0.0024450 k( 111) = ( 0.2410256 0.2410256 0.0000000), wk = 0.0024450 k( 112) = ( 0.2358974 0.2358974 0.0000000), wk = 0.0024450 k( 113) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0024450 k( 114) = ( 0.2256410 0.2256410 0.0000000), wk = 0.0024450 k( 115) = ( 0.2205128 0.2205128 0.0000000), wk = 0.0024450 k( 116) = ( 0.2153846 0.2153846 0.0000000), wk = 0.0024450 k( 117) = ( 0.2102564 0.2102564 0.0000000), wk = 0.0024450 k( 118) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0024450 k( 119) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0024450 k( 120) = ( 0.1948718 0.1948718 -0.0000000), wk = 0.0024450 k( 121) = ( 0.1897436 0.1897436 -0.0000000), wk = 0.0024450 k( 122) = ( 0.1846154 0.1846154 -0.0000000), wk = 0.0024450 k( 123) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0024450 k( 124) = ( 0.1743590 0.1743590 -0.0000000), wk = 0.0024450 k( 125) = ( 0.1692308 0.1692308 0.0000000), wk = 0.0024450 k( 126) = ( 0.1641026 0.1641026 0.0000000), wk = 0.0024450 k( 127) = ( 0.1589744 0.1589744 -0.0000000), wk = 0.0024450 k( 128) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0024450 k( 129) = ( 0.1487179 0.1487179 -0.0000000), wk = 0.0024450 k( 130) = ( 0.1435897 0.1435897 0.0000000), wk = 0.0024450 k( 131) = ( 0.1384615 0.1384615 0.0000000), wk = 0.0024450 k( 132) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0024450 k( 133) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0024450 k( 134) = ( 0.1230769 0.1230769 0.0000000), wk = 0.0024450 k( 135) = ( 0.1179487 0.1179487 0.0000000), wk = 0.0024450 k( 136) = ( 0.1128205 0.1128205 -0.0000000), wk = 0.0024450 k( 137) = ( 0.1076923 0.1076923 0.0000000), wk = 0.0024450 k( 138) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0024450 k( 139) = ( 0.0974359 0.0974359 0.0000000), wk = 0.0024450 k( 140) = ( 0.0923077 0.0923077 -0.0000000), wk = 0.0024450 k( 141) = ( 0.0871795 0.0871795 0.0000000), wk = 0.0024450 k( 142) = ( 0.0820513 0.0820513 0.0000000), wk = 0.0024450 k( 143) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0024450 k( 144) = ( 0.0717949 0.0717949 0.0000000), wk = 0.0024450 k( 145) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0024450 k( 146) = ( 0.0615385 0.0615385 0.0000000), wk = 0.0024450 k( 147) = ( 0.0564103 0.0564103 0.0000000), wk = 0.0024450 k( 148) = ( 0.0512821 0.0512820 -0.0000000), wk = 0.0024450 k( 149) = ( 0.0461539 0.0461539 0.0000000), wk = 0.0024450 k( 150) = ( 0.0410256 0.0410256 0.0000000), wk = 0.0024450 k( 151) = ( 0.0358974 0.0358974 -0.0000000), wk = 0.0024450 k( 152) = ( 0.0307692 0.0307692 0.0000000), wk = 0.0024450 k( 153) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0024450 k( 154) = ( 0.0205128 0.0205128 0.0000000), wk = 0.0024450 k( 155) = ( 0.0153846 0.0153846 -0.0000000), wk = 0.0024450 k( 156) = ( 0.0102564 0.0102564 0.0000000), wk = 0.0024450 k( 157) = ( 0.0051282 0.0051282 0.0000000), wk = 0.0024450 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 160) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0024450 k( 161) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0024450 k( 162) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0024450 k( 163) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0024450 k( 164) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024450 k( 165) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024450 k( 166) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0024450 k( 167) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0024450 k( 168) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0024450 k( 169) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024450 k( 170) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0024450 k( 171) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024450 k( 172) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0024450 k( 173) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0024450 k( 174) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024450 k( 175) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0024450 k( 176) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0024450 k( 177) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024450 k( 178) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0024450 k( 179) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024450 k( 180) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0024450 k( 181) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0024450 k( 182) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0024450 k( 183) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024450 k( 184) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024450 k( 185) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0024450 k( 186) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0024450 k( 187) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0024450 k( 188) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0024450 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024450 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024450 k( 191) = ( 0.0087719 -0.0000000 0.5000000), wk = 0.0024450 k( 192) = ( 0.0175439 -0.0000000 0.5000000), wk = 0.0024450 k( 193) = ( 0.0263158 -0.0000000 0.5000000), wk = 0.0024450 k( 194) = ( 0.0350877 -0.0000000 0.5000000), wk = 0.0024450 k( 195) = ( 0.0438597 0.0000000 0.5000000), wk = 0.0024450 k( 196) = ( 0.0526316 -0.0000000 0.5000000), wk = 0.0024450 k( 197) = ( 0.0614035 -0.0000000 0.5000000), wk = 0.0024450 k( 198) = ( 0.0701754 -0.0000000 0.5000000), wk = 0.0024450 k( 199) = ( 0.0789474 -0.0000000 0.5000000), wk = 0.0024450 k( 200) = ( 0.0877193 0.0000000 0.5000000), wk = 0.0024450 k( 201) = ( 0.0964912 -0.0000000 0.5000000), wk = 0.0024450 k( 202) = ( 0.1052632 -0.0000000 0.5000000), wk = 0.0024450 k( 203) = ( 0.1140351 0.0000000 0.5000000), wk = 0.0024450 k( 204) = ( 0.1228070 -0.0000000 0.5000000), wk = 0.0024450 k( 205) = ( 0.1315790 -0.0000000 0.5000000), wk = 0.0024450 k( 206) = ( 0.1403509 -0.0000000 0.5000000), wk = 0.0024450 k( 207) = ( 0.1491228 -0.0000000 0.5000000), wk = 0.0024450 k( 208) = ( 0.1578947 -0.0000000 0.5000000), wk = 0.0024450 k( 209) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0024450 k( 210) = ( 0.1754386 0.0000000 0.5000000), wk = 0.0024450 k( 211) = ( 0.1842105 0.0000000 0.5000000), wk = 0.0024450 k( 212) = ( 0.1929825 -0.0000000 0.5000000), wk = 0.0024450 k( 213) = ( 0.2017544 -0.0000000 0.5000000), wk = 0.0024450 k( 214) = ( 0.2105263 -0.0000000 0.5000000), wk = 0.0024450 k( 215) = ( 0.2192983 -0.0000000 0.5000000), wk = 0.0024450 k( 216) = ( 0.2280702 0.0000000 0.5000000), wk = 0.0024450 k( 217) = ( 0.2368421 0.0000000 0.5000000), wk = 0.0024450 k( 218) = ( 0.2456140 -0.0000000 0.5000000), wk = 0.0024450 k( 219) = ( 0.2543860 -0.0000000 0.5000000), wk = 0.0024450 k( 220) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0024450 k( 221) = ( 0.2719298 -0.0000000 0.5000000), wk = 0.0024450 k( 222) = ( 0.2807018 -0.0000000 0.5000000), wk = 0.0024450 k( 223) = ( 0.2894737 -0.0000000 0.5000000), wk = 0.0024450 k( 224) = ( 0.2982456 -0.0000000 0.5000000), wk = 0.0024450 k( 225) = ( 0.3070175 -0.0000000 0.5000000), wk = 0.0024450 k( 226) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0024450 k( 227) = ( 0.3245614 -0.0000000 0.5000000), wk = 0.0024450 k( 228) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0024450 k( 229) = ( 0.3421053 -0.0000000 0.5000000), wk = 0.0024450 k( 230) = ( 0.3508772 -0.0000000 0.5000000), wk = 0.0024450 k( 231) = ( 0.3596491 -0.0000000 0.5000000), wk = 0.0024450 k( 232) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0024450 k( 233) = ( 0.3771930 -0.0000000 0.5000000), wk = 0.0024450 k( 234) = ( 0.3859649 -0.0000000 0.5000000), wk = 0.0024450 k( 235) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0024450 k( 236) = ( 0.4035088 -0.0000000 0.5000000), wk = 0.0024450 k( 237) = ( 0.4122807 -0.0000000 0.5000000), wk = 0.0024450 k( 238) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0024450 k( 239) = ( 0.4298246 -0.0000000 0.5000000), wk = 0.0024450 k( 240) = ( 0.4385965 0.0000000 0.5000000), wk = 0.0024450 k( 241) = ( 0.4473684 0.0000000 0.5000000), wk = 0.0024450 k( 242) = ( 0.4561404 -0.0000000 0.5000000), wk = 0.0024450 k( 243) = ( 0.4649123 -0.0000000 0.5000000), wk = 0.0024450 k( 244) = ( 0.4736842 -0.0000000 0.5000000), wk = 0.0024450 k( 245) = ( 0.4824561 -0.0000000 0.5000000), wk = 0.0024450 k( 246) = ( 0.4912281 0.0000000 0.5000000), wk = 0.0024450 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024450 k( 248) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024450 k( 249) = ( 0.4949495 0.0101010 0.5000000), wk = 0.0024450 k( 250) = ( 0.4898990 0.0202020 0.5000000), wk = 0.0024450 k( 251) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0024450 k( 252) = ( 0.4797980 0.0404040 0.5000000), wk = 0.0024450 k( 253) = ( 0.4747475 0.0505050 0.5000000), wk = 0.0024450 k( 254) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0024450 k( 255) = ( 0.4646465 0.0707071 0.5000000), wk = 0.0024450 k( 256) = ( 0.4595960 0.0808081 0.5000000), wk = 0.0024450 k( 257) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0024450 k( 258) = ( 0.4494950 0.1010101 0.5000000), wk = 0.0024450 k( 259) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0024450 k( 260) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0024450 k( 261) = ( 0.4343434 0.1313131 0.5000000), wk = 0.0024450 k( 262) = ( 0.4292929 0.1414141 0.5000000), wk = 0.0024450 k( 263) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0024450 k( 264) = ( 0.4191919 0.1616162 0.5000000), wk = 0.0024450 k( 265) = ( 0.4141414 0.1717172 0.5000000), wk = 0.0024450 k( 266) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0024450 k( 267) = ( 0.4040404 0.1919192 0.5000000), wk = 0.0024450 k( 268) = ( 0.3989899 0.2020202 0.5000000), wk = 0.0024450 k( 269) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0024450 k( 270) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0024450 k( 271) = ( 0.3838384 0.2323232 0.5000000), wk = 0.0024450 k( 272) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0024450 k( 273) = ( 0.3737374 0.2525252 0.5000000), wk = 0.0024450 k( 274) = ( 0.3686869 0.2626263 0.5000000), wk = 0.0024450 k( 275) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0024450 k( 276) = ( 0.3585859 0.2828283 0.5000000), wk = 0.0024450 k( 277) = ( 0.3535354 0.2929293 0.5000000), wk = 0.0024450 k( 278) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0024450 k( 279) = ( 0.3434343 0.3131313 0.5000000), wk = 0.0024450 k( 280) = ( 0.3383838 0.3232323 0.5000000), wk = 0.0024450 k( 281) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024450 k( 282) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024450 k( 283) = ( 0.3282051 0.3282051 0.5000000), wk = 0.0024450 k( 284) = ( 0.3230769 0.3230769 0.5000000), wk = 0.0024450 k( 285) = ( 0.3179487 0.3179487 0.5000000), wk = 0.0024450 k( 286) = ( 0.3128205 0.3128205 0.5000000), wk = 0.0024450 k( 287) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0024450 k( 288) = ( 0.3025641 0.3025641 0.5000000), wk = 0.0024450 k( 289) = ( 0.2974359 0.2974359 0.5000000), wk = 0.0024450 k( 290) = ( 0.2923077 0.2923077 0.5000000), wk = 0.0024450 k( 291) = ( 0.2871795 0.2871795 0.5000000), wk = 0.0024450 k( 292) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0024450 k( 293) = ( 0.2769231 0.2769231 0.5000000), wk = 0.0024450 k( 294) = ( 0.2717949 0.2717949 0.5000000), wk = 0.0024450 k( 295) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0024450 k( 296) = ( 0.2615385 0.2615385 0.5000000), wk = 0.0024450 k( 297) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0024450 k( 298) = ( 0.2512820 0.2512820 0.5000000), wk = 0.0024450 k( 299) = ( 0.2461539 0.2461539 0.5000000), wk = 0.0024450 k( 300) = ( 0.2410256 0.2410256 0.5000000), wk = 0.0024450 k( 301) = ( 0.2358974 0.2358974 0.5000000), wk = 0.0024450 k( 302) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0024450 k( 303) = ( 0.2256410 0.2256410 0.5000000), wk = 0.0024450 k( 304) = ( 0.2205128 0.2205128 0.5000000), wk = 0.0024450 k( 305) = ( 0.2153846 0.2153846 0.5000000), wk = 0.0024450 k( 306) = ( 0.2102564 0.2102564 0.5000000), wk = 0.0024450 k( 307) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0024450 k( 308) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0024450 k( 309) = ( 0.1948718 0.1948718 0.5000000), wk = 0.0024450 k( 310) = ( 0.1897436 0.1897436 0.5000000), wk = 0.0024450 k( 311) = ( 0.1846154 0.1846154 0.5000000), wk = 0.0024450 k( 312) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0024450 k( 313) = ( 0.1743590 0.1743590 0.5000000), wk = 0.0024450 k( 314) = ( 0.1692308 0.1692308 0.5000000), wk = 0.0024450 k( 315) = ( 0.1641026 0.1641026 0.5000000), wk = 0.0024450 k( 316) = ( 0.1589744 0.1589744 0.5000000), wk = 0.0024450 k( 317) = ( 0.1538461 0.1538462 0.5000000), wk = 0.0024450 k( 318) = ( 0.1487179 0.1487179 0.5000000), wk = 0.0024450 k( 319) = ( 0.1435897 0.1435897 0.5000000), wk = 0.0024450 k( 320) = ( 0.1384615 0.1384615 0.5000000), wk = 0.0024450 k( 321) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0024450 k( 322) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0024450 k( 323) = ( 0.1230769 0.1230769 0.5000000), wk = 0.0024450 k( 324) = ( 0.1179487 0.1179487 0.5000000), wk = 0.0024450 k( 325) = ( 0.1128205 0.1128205 0.5000000), wk = 0.0024450 k( 326) = ( 0.1076923 0.1076923 0.5000000), wk = 0.0024450 k( 327) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0024450 k( 328) = ( 0.0974359 0.0974359 0.5000000), wk = 0.0024450 k( 329) = ( 0.0923077 0.0923077 0.5000000), wk = 0.0024450 k( 330) = ( 0.0871795 0.0871795 0.5000000), wk = 0.0024450 k( 331) = ( 0.0820513 0.0820513 0.5000000), wk = 0.0024450 k( 332) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0024450 k( 333) = ( 0.0717949 0.0717949 0.5000000), wk = 0.0024450 k( 334) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0024450 k( 335) = ( 0.0615385 0.0615385 0.5000000), wk = 0.0024450 k( 336) = ( 0.0564103 0.0564103 0.5000000), wk = 0.0024450 k( 337) = ( 0.0512821 0.0512820 0.5000000), wk = 0.0024450 k( 338) = ( 0.0461539 0.0461539 0.5000000), wk = 0.0024450 k( 339) = ( 0.0410256 0.0410256 0.5000000), wk = 0.0024450 k( 340) = ( 0.0358974 0.0358974 0.5000000), wk = 0.0024450 k( 341) = ( 0.0307692 0.0307692 0.5000000), wk = 0.0024450 k( 342) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0024450 k( 343) = ( 0.0205128 0.0205128 0.5000000), wk = 0.0024450 k( 344) = ( 0.0153846 0.0153846 0.5000000), wk = 0.0024450 k( 345) = ( 0.0102564 0.0102564 0.5000000), wk = 0.0024450 k( 346) = ( 0.0051282 0.0051282 0.5000000), wk = 0.0024450 k( 347) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024450 k( 348) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024450 k( 349) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0024450 k( 350) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0024450 k( 351) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0024450 k( 352) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0024450 k( 353) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0024450 k( 354) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0024450 k( 355) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0024450 k( 356) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0024450 k( 357) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0024450 k( 358) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0024450 k( 359) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0024450 k( 360) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0024450 k( 361) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0024450 k( 362) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0024450 k( 363) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0024450 k( 364) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0024450 k( 365) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0024450 k( 366) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0024450 k( 367) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0024450 k( 368) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0024450 k( 369) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0024450 k( 370) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0024450 k( 371) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0024450 k( 372) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0024450 k( 373) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0024450 k( 374) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0024450 k( 375) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0024450 k( 376) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0024450 k( 377) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0024450 k( 378) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024450 k( 379) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024450 k( 380) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0024450 k( 381) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0024450 k( 382) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0024450 k( 383) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0024450 k( 384) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0024450 k( 385) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0024450 k( 386) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0024450 k( 387) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0024450 k( 388) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0024450 k( 389) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0024450 k( 390) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0024450 k( 391) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0024450 k( 392) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0024450 k( 393) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0024450 k( 394) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0024450 k( 395) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0024450 k( 396) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0024450 k( 397) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0024450 k( 398) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0024450 k( 399) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0024450 k( 400) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0024450 k( 401) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0024450 k( 402) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0024450 k( 403) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0024450 k( 404) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0024450 k( 405) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0024450 k( 406) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0024450 k( 407) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0024450 k( 408) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0024450 k( 409) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024450 Dense grid: 41085 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 19687 G-vectors FFT dimensions: ( 30, 30, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 150, 28) NL pseudopotentials 0.03 Mb ( 75, 28) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1141) G-vector shells 0.00 Mb ( 534) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 150, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.02 Mb ( 28, 2, 28) Check: negative/imaginary core charge= -0.000022 0.000000 The potential is recalculated from file : ./Mg.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs + 8 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 0.8 secs Computing kpt #: 2 total cpu time spent up to now is 0.9 secs Computing kpt #: 3 total cpu time spent up to now is 1.1 secs Computing kpt #: 4 total cpu time spent up to now is 1.2 secs Computing kpt #: 5 total cpu time spent up to now is 1.3 secs Computing kpt #: 6 total cpu time spent up to now is 1.4 secs Computing kpt #: 7 total cpu time spent up to now is 1.6 secs Computing kpt #: 8 total cpu time spent up to now is 1.7 secs Computing kpt #: 9 total cpu time spent up to now is 1.8 secs Computing kpt #: 10 total cpu time spent up to now is 1.9 secs Computing kpt #: 11 total cpu time spent up to now is 2.0 secs Computing kpt #: 12 total cpu time spent up to now is 2.1 secs Computing kpt #: 13 total cpu time spent up to now is 2.3 secs Computing kpt #: 14 total cpu time spent up to now is 2.4 secs Computing kpt #: 15 total cpu time spent up to now is 2.5 secs Computing kpt #: 16 total cpu time spent up to now is 2.6 secs Computing kpt #: 17 total cpu time spent up to now is 2.7 secs Computing kpt #: 18 total cpu time spent up to now is 2.8 secs Computing kpt #: 19 total cpu time spent up to now is 2.9 secs Computing kpt #: 20 total cpu time spent up to now is 3.1 secs Computing kpt #: 21 total cpu time spent up to now is 3.2 secs Computing kpt #: 22 total cpu time spent up to now is 3.3 secs Computing kpt #: 23 total cpu time spent up to now is 3.4 secs Computing kpt #: 24 total cpu time spent up to now is 3.5 secs Computing kpt #: 25 total cpu time spent up to now is 3.6 secs Computing kpt #: 26 total cpu time spent up to now is 3.8 secs Computing kpt #: 27 total cpu time spent up to now is 3.9 secs Computing kpt #: 28 total cpu time spent up to now is 4.0 secs Computing kpt #: 29 total cpu time spent up to now is 4.1 secs Computing kpt #: 30 total cpu time spent up to now is 4.2 secs Computing kpt #: 31 total cpu time spent up to now is 4.3 secs Computing kpt #: 32 total cpu time spent up to now is 4.5 secs Computing kpt #: 33 total cpu time spent up to now is 4.6 secs Computing kpt #: 34 total cpu time spent up to now is 4.7 secs Computing kpt #: 35 total cpu time spent up to now is 4.8 secs Computing kpt #: 36 total cpu time spent up to now is 4.9 secs Computing kpt #: 37 total cpu time spent up to now is 5.0 secs Computing kpt #: 38 total cpu time spent up to now is 5.1 secs Computing kpt #: 39 total cpu time spent up to now is 5.3 secs Computing kpt #: 40 total cpu time spent up to now is 5.4 secs Computing kpt #: 41 total cpu time spent up to now is 5.5 secs Computing kpt #: 42 total cpu time spent up to now is 5.6 secs Computing kpt #: 43 total cpu time spent up to now is 5.7 secs Computing kpt #: 44 total cpu time spent up to now is 5.8 secs Computing kpt #: 45 total cpu time spent up to now is 5.9 secs Computing kpt #: 46 total cpu time spent up to now is 6.0 secs Computing kpt #: 47 total cpu time spent up to now is 6.1 secs Computing kpt #: 48 total cpu time spent up to now is 6.2 secs Computing kpt #: 49 total cpu time spent up to now is 6.3 secs Computing kpt #: 50 total cpu time spent up to now is 6.4 secs Computing kpt #: 51 total cpu time spent up to now is 6.5 secs Computing kpt #: 52 total cpu time spent up to now is 6.6 secs Computing kpt #: 53 total cpu time spent up to now is 6.7 secs Computing kpt #: 54 total cpu time spent up to now is 6.8 secs Computing kpt #: 55 total cpu time spent up to now is 6.9 secs Computing kpt #: 56 total cpu time spent up to now is 7.0 secs Computing kpt #: 57 total cpu time spent up to now is 7.1 secs Computing kpt #: 58 total cpu time spent up to now is 7.2 secs Computing kpt #: 59 total cpu time spent up to now is 7.3 secs Computing kpt #: 60 total cpu time spent up to now is 7.4 secs Computing kpt #: 61 total cpu time spent up to now is 7.5 secs Computing kpt #: 62 total cpu time spent up to now is 7.6 secs Computing kpt #: 63 total cpu time spent up to now is 7.7 secs Computing kpt #: 64 total cpu time spent up to now is 7.8 secs Computing kpt #: 65 total cpu time spent up to now is 7.9 secs Computing kpt #: 66 total cpu time spent up to now is 8.0 secs Computing kpt #: 67 total cpu time spent up to now is 8.1 secs Computing kpt #: 68 total cpu time spent up to now is 8.2 secs Computing kpt #: 69 total cpu time spent up to now is 8.3 secs Computing kpt #: 70 total cpu time spent up to now is 8.5 secs Computing kpt #: 71 total cpu time spent up to now is 8.6 secs Computing kpt #: 72 total cpu time spent up to now is 8.7 secs Computing kpt #: 73 total cpu time spent up to now is 8.8 secs Computing kpt #: 74 total cpu time spent up to now is 8.9 secs Computing kpt #: 75 total cpu time spent up to now is 9.0 secs Computing kpt #: 76 total cpu time spent up to now is 9.1 secs Computing kpt #: 77 total cpu time spent up to now is 9.2 secs Computing kpt #: 78 total cpu time spent up to now is 9.3 secs Computing kpt #: 79 total cpu time spent up to now is 9.4 secs Computing kpt #: 80 total cpu time spent up to now is 9.5 secs Computing kpt #: 81 total cpu time spent up to now is 9.6 secs Computing kpt #: 82 total cpu time spent up to now is 9.7 secs Computing kpt #: 83 total cpu time spent up to now is 9.8 secs Computing kpt #: 84 total cpu time spent up to now is 9.9 secs Computing kpt #: 85 total cpu time spent up to now is 10.0 secs Computing kpt #: 86 total cpu time spent up to now is 10.1 secs Computing kpt #: 87 total cpu time spent up to now is 10.2 secs Computing kpt #: 88 total cpu time spent up to now is 10.3 secs Computing kpt #: 89 total cpu time spent up to now is 10.4 secs Computing kpt #: 90 total cpu time spent up to now is 10.6 secs Computing kpt #: 91 total cpu time spent up to now is 10.7 secs Computing kpt #: 92 total cpu time spent up to now is 10.8 secs Computing kpt #: 93 total cpu time spent up to now is 10.9 secs Computing kpt #: 94 total cpu time spent up to now is 11.0 secs Computing kpt #: 95 total cpu time spent up to now is 11.1 secs Computing kpt #: 96 total cpu time spent up to now is 11.2 secs Computing kpt #: 97 total cpu time spent up to now is 11.3 secs Computing kpt #: 98 total cpu time spent up to now is 11.4 secs Computing kpt #: 99 total cpu time spent up to now is 11.5 secs Computing kpt #: 100 total cpu time spent up to now is 11.6 secs Computing kpt #: 101 total cpu time spent up to now is 11.7 secs Computing kpt #: 102 total cpu time spent up to now is 11.8 secs Computing kpt #: 103 total cpu time spent up to now is 11.9 secs Computing kpt #: 104 total cpu time spent up to now is 12.0 secs Computing kpt #: 105 total cpu time spent up to now is 12.1 secs Computing kpt #: 106 total cpu time spent up to now is 12.2 secs Computing kpt #: 107 total cpu time spent up to now is 12.4 secs Computing kpt #: 108 total cpu time spent up to now is 12.5 secs Computing kpt #: 109 total cpu time spent up to now is 12.6 secs Computing kpt #: 110 total cpu time spent up to now is 12.7 secs Computing kpt #: 111 total cpu time spent up to now is 12.8 secs Computing kpt #: 112 total cpu time spent up to now is 12.9 secs Computing kpt #: 113 total cpu time spent up to now is 13.0 secs Computing kpt #: 114 total cpu time spent up to now is 13.2 secs Computing kpt #: 115 total cpu time spent up to now is 13.3 secs Computing kpt #: 116 total cpu time spent up to now is 13.4 secs Computing kpt #: 117 total cpu time spent up to now is 13.5 secs Computing kpt #: 118 total cpu time spent up to now is 13.6 secs Computing kpt #: 119 total cpu time spent up to now is 13.7 secs Computing kpt #: 120 total cpu time spent up to now is 13.9 secs Computing kpt #: 121 total cpu time spent up to now is 14.0 secs Computing kpt #: 122 total cpu time spent up to now is 14.1 secs Computing kpt #: 123 total cpu time spent up to now is 14.2 secs Computing kpt #: 124 total cpu time spent up to now is 14.3 secs Computing kpt #: 125 total cpu time spent up to now is 14.4 secs Computing kpt #: 126 total cpu time spent up to now is 14.5 secs Computing kpt #: 127 total cpu time spent up to now is 14.7 secs Computing kpt #: 128 total cpu time spent up to now is 14.8 secs Computing kpt #: 129 total cpu time spent up to now is 14.9 secs Computing kpt #: 130 total cpu time spent up to now is 15.0 secs Computing kpt #: 131 total cpu time spent up to now is 15.2 secs Computing kpt #: 132 total cpu time spent up to now is 15.3 secs Computing kpt #: 133 total cpu time spent up to now is 15.4 secs Computing kpt #: 134 total cpu time spent up to now is 15.6 secs Computing kpt #: 135 total cpu time spent up to now is 15.7 secs Computing kpt #: 136 total cpu time spent up to now is 15.8 secs Computing kpt #: 137 total cpu time spent up to now is 16.0 secs Computing kpt #: 138 total cpu time spent up to now is 16.2 secs Computing kpt #: 139 total cpu time spent up to now is 16.4 secs Computing kpt #: 140 total cpu time spent up to now is 16.6 secs Computing kpt #: 141 total cpu time spent up to now is 16.8 secs Computing kpt #: 142 total cpu time spent up to now is 17.0 secs Computing kpt #: 143 total cpu time spent up to now is 17.2 secs Computing kpt #: 144 total cpu time spent up to now is 17.4 secs Computing kpt #: 145 total cpu time spent up to now is 17.5 secs Computing kpt #: 146 total cpu time spent up to now is 17.7 secs Computing kpt #: 147 total cpu time spent up to now is 17.8 secs Computing kpt #: 148 total cpu time spent up to now is 18.0 secs Computing kpt #: 149 total cpu time spent up to now is 18.1 secs Computing kpt #: 150 total cpu time spent up to now is 18.2 secs Computing kpt #: 151 total cpu time spent up to now is 18.3 secs Computing kpt #: 152 total cpu time spent up to now is 18.5 secs Computing kpt #: 153 total cpu time spent up to now is 18.6 secs Computing kpt #: 154 total cpu time spent up to now is 18.7 secs Computing kpt #: 155 total cpu time spent up to now is 18.9 secs Computing kpt #: 156 total cpu time spent up to now is 19.0 secs Computing kpt #: 157 total cpu time spent up to now is 19.1 secs Computing kpt #: 158 total cpu time spent up to now is 19.3 secs Computing kpt #: 159 total cpu time spent up to now is 19.4 secs Computing kpt #: 160 total cpu time spent up to now is 19.6 secs Computing kpt #: 161 total cpu time spent up to now is 19.7 secs Computing kpt #: 162 total cpu time spent up to now is 19.9 secs Computing kpt #: 163 total cpu time spent up to now is 20.1 secs Computing kpt #: 164 total cpu time spent up to now is 20.3 secs Computing kpt #: 165 total cpu time spent up to now is 20.6 secs Computing kpt #: 166 total cpu time spent up to now is 20.8 secs Computing kpt #: 167 total cpu time spent up to now is 21.0 secs Computing kpt #: 168 total cpu time spent up to now is 21.2 secs Computing kpt #: 169 total cpu time spent up to now is 21.5 secs Computing kpt #: 170 total cpu time spent up to now is 21.7 secs Computing kpt #: 171 total cpu time spent up to now is 22.0 secs Computing kpt #: 172 total cpu time spent up to now is 22.2 secs Computing kpt #: 173 total cpu time spent up to now is 22.4 secs Computing kpt #: 174 total cpu time spent up to now is 22.7 secs Computing kpt #: 175 total cpu time spent up to now is 22.9 secs Computing kpt #: 176 total cpu time spent up to now is 23.2 secs Computing kpt #: 177 total cpu time spent up to now is 23.4 secs Computing kpt #: 178 total cpu time spent up to now is 23.7 secs Computing kpt #: 179 total cpu time spent up to now is 23.9 secs Computing kpt #: 180 total cpu time spent up to now is 24.2 secs Computing kpt #: 181 total cpu time spent up to now is 24.4 secs Computing kpt #: 182 total cpu time spent up to now is 24.7 secs Computing kpt #: 183 total cpu time spent up to now is 24.9 secs Computing kpt #: 184 total cpu time spent up to now is 25.1 secs Computing kpt #: 185 total cpu time spent up to now is 25.3 secs Computing kpt #: 186 total cpu time spent up to now is 25.6 secs Computing kpt #: 187 total cpu time spent up to now is 25.8 secs Computing kpt #: 188 total cpu time spent up to now is 26.1 secs Computing kpt #: 189 total cpu time spent up to now is 26.2 secs Computing kpt #: 190 total cpu time spent up to now is 26.4 secs Computing kpt #: 191 total cpu time spent up to now is 26.6 secs Computing kpt #: 192 total cpu time spent up to now is 26.8 secs Computing kpt #: 193 total cpu time spent up to now is 26.9 secs Computing kpt #: 194 total cpu time spent up to now is 27.1 secs Computing kpt #: 195 total cpu time spent up to now is 27.2 secs Computing kpt #: 196 total cpu time spent up to now is 27.4 secs Computing kpt #: 197 total cpu time spent up to now is 27.5 secs Computing kpt #: 198 total cpu time spent up to now is 27.7 secs Computing kpt #: 199 total cpu time spent up to now is 27.8 secs Computing kpt #: 200 total cpu time spent up to now is 27.9 secs Computing kpt #: 201 total cpu time spent up to now is 28.0 secs Computing kpt #: 202 total cpu time spent up to now is 28.1 secs Computing kpt #: 203 total cpu time spent up to now is 28.3 secs Computing kpt #: 204 total cpu time spent up to now is 28.4 secs Computing kpt #: 205 total cpu time spent up to now is 28.5 secs Computing kpt #: 206 total cpu time spent up to now is 28.6 secs Computing kpt #: 207 total cpu time spent up to now is 28.7 secs Computing kpt #: 208 total cpu time spent up to now is 28.8 secs Computing kpt #: 209 total cpu time spent up to now is 28.9 secs Computing kpt #: 210 total cpu time spent up to now is 29.0 secs Computing kpt #: 211 total cpu time spent up to now is 29.1 secs Computing kpt #: 212 total cpu time spent up to now is 29.2 secs Computing kpt #: 213 total cpu time spent up to now is 29.3 secs Computing kpt #: 214 total cpu time spent up to now is 29.4 secs Computing kpt #: 215 total cpu time spent up to now is 29.5 secs Computing kpt #: 216 total cpu time spent up to now is 29.6 secs Computing kpt #: 217 total cpu time spent up to now is 29.7 secs Computing kpt #: 218 total cpu time spent up to now is 29.9 secs Computing kpt #: 219 total cpu time spent up to now is 30.0 secs Computing kpt #: 220 total cpu time spent up to now is 30.1 secs Computing kpt #: 221 total cpu time spent up to now is 30.2 secs Computing kpt #: 222 total cpu time spent up to now is 30.3 secs Computing kpt #: 223 total cpu time spent up to now is 30.4 secs Computing kpt #: 224 total cpu time spent up to now is 30.5 secs Computing kpt #: 225 total cpu time spent up to now is 30.6 secs Computing kpt #: 226 total cpu time spent up to now is 30.7 secs Computing kpt #: 227 total cpu time spent up to now is 30.8 secs Computing kpt #: 228 total cpu time spent up to now is 31.0 secs Computing kpt #: 229 total cpu time spent up to now is 31.1 secs Computing kpt #: 230 total cpu time spent up to now is 31.2 secs Computing kpt #: 231 total cpu time spent up to now is 31.3 secs Computing kpt #: 232 total cpu time spent up to now is 31.4 secs Computing kpt #: 233 total cpu time spent up to now is 31.5 secs Computing kpt #: 234 total cpu time spent up to now is 31.6 secs Computing kpt #: 235 total cpu time spent up to now is 31.7 secs Computing kpt #: 236 total cpu time spent up to now is 31.9 secs Computing kpt #: 237 total cpu time spent up to now is 32.0 secs Computing kpt #: 238 total cpu time spent up to now is 32.1 secs Computing kpt #: 239 total cpu time spent up to now is 32.2 secs Computing kpt #: 240 total cpu time spent up to now is 32.3 secs Computing kpt #: 241 total cpu time spent up to now is 32.5 secs Computing kpt #: 242 total cpu time spent up to now is 32.7 secs Computing kpt #: 243 total cpu time spent up to now is 32.8 secs Computing kpt #: 244 total cpu time spent up to now is 33.0 secs Computing kpt #: 245 total cpu time spent up to now is 33.1 secs Computing kpt #: 246 total cpu time spent up to now is 33.3 secs Computing kpt #: 247 total cpu time spent up to now is 33.4 secs Computing kpt #: 248 total cpu time spent up to now is 33.6 secs Computing kpt #: 249 total cpu time spent up to now is 33.7 secs Computing kpt #: 250 total cpu time spent up to now is 33.8 secs Computing kpt #: 251 total cpu time spent up to now is 34.0 secs Computing kpt #: 252 total cpu time spent up to now is 34.1 secs Computing kpt #: 253 total cpu time spent up to now is 34.2 secs Computing kpt #: 254 total cpu time spent up to now is 34.3 secs Computing kpt #: 255 total cpu time spent up to now is 34.4 secs Computing kpt #: 256 total cpu time spent up to now is 34.5 secs Computing kpt #: 257 total cpu time spent up to now is 34.6 secs Computing kpt #: 258 total cpu time spent up to now is 34.7 secs Computing kpt #: 259 total cpu time spent up to now is 34.8 secs Computing kpt #: 260 total cpu time spent up to now is 34.9 secs Computing kpt #: 261 total cpu time spent up to now is 35.0 secs Computing kpt #: 262 total cpu time spent up to now is 35.1 secs Computing kpt #: 263 total cpu time spent up to now is 35.2 secs Computing kpt #: 264 total cpu time spent up to now is 35.3 secs Computing kpt #: 265 total cpu time spent up to now is 35.3 secs Computing kpt #: 266 total cpu time spent up to now is 35.4 secs Computing kpt #: 267 total cpu time spent up to now is 35.5 secs Computing kpt #: 268 total cpu time spent up to now is 35.6 secs Computing kpt #: 269 total cpu time spent up to now is 35.7 secs Computing kpt #: 270 total cpu time spent up to now is 35.8 secs Computing kpt #: 271 total cpu time spent up to now is 35.9 secs Computing kpt #: 272 total cpu time spent up to now is 35.9 secs Computing kpt #: 273 total cpu time spent up to now is 36.0 secs Computing kpt #: 274 total cpu time spent up to now is 36.1 secs Computing kpt #: 275 total cpu time spent up to now is 36.2 secs Computing kpt #: 276 total cpu time spent up to now is 36.3 secs Computing kpt #: 277 total cpu time spent up to now is 36.4 secs Computing kpt #: 278 total cpu time spent up to now is 36.4 secs Computing kpt #: 279 total cpu time spent up to now is 36.5 secs Computing kpt #: 280 total cpu time spent up to now is 36.6 secs Computing kpt #: 281 total cpu time spent up to now is 36.7 secs Computing kpt #: 282 total cpu time spent up to now is 36.8 secs Computing kpt #: 283 total cpu time spent up to now is 36.8 secs Computing kpt #: 284 total cpu time spent up to now is 36.9 secs Computing kpt #: 285 total cpu time spent up to now is 37.0 secs Computing kpt #: 286 total cpu time spent up to now is 37.1 secs Computing kpt #: 287 total cpu time spent up to now is 37.2 secs Computing kpt #: 288 total cpu time spent up to now is 37.2 secs Computing kpt #: 289 total cpu time spent up to now is 37.3 secs Computing kpt #: 290 total cpu time spent up to now is 37.4 secs Computing kpt #: 291 total cpu time spent up to now is 37.5 secs Computing kpt #: 292 total cpu time spent up to now is 37.6 secs Computing kpt #: 293 total cpu time spent up to now is 37.7 secs Computing kpt #: 294 total cpu time spent up to now is 37.8 secs Computing kpt #: 295 total cpu time spent up to now is 37.9 secs Computing kpt #: 296 total cpu time spent up to now is 38.0 secs Computing kpt #: 297 total cpu time spent up to now is 38.0 secs Computing kpt #: 298 total cpu time spent up to now is 38.1 secs Computing kpt #: 299 total cpu time spent up to now is 38.2 secs Computing kpt #: 300 total cpu time spent up to now is 38.3 secs Computing kpt #: 301 total cpu time spent up to now is 38.4 secs Computing kpt #: 302 total cpu time spent up to now is 38.5 secs Computing kpt #: 303 total cpu time spent up to now is 38.6 secs Computing kpt #: 304 total cpu time spent up to now is 38.8 secs Computing kpt #: 305 total cpu time spent up to now is 38.9 secs Computing kpt #: 306 total cpu time spent up to now is 39.0 secs Computing kpt #: 307 total cpu time spent up to now is 39.1 secs Computing kpt #: 308 total cpu time spent up to now is 39.2 secs Computing kpt #: 309 total cpu time spent up to now is 39.3 secs Computing kpt #: 310 total cpu time spent up to now is 39.4 secs Computing kpt #: 311 total cpu time spent up to now is 39.5 secs Computing kpt #: 312 total cpu time spent up to now is 39.6 secs Computing kpt #: 313 total cpu time spent up to now is 39.7 secs Computing kpt #: 314 total cpu time spent up to now is 39.8 secs Computing kpt #: 315 total cpu time spent up to now is 39.9 secs Computing kpt #: 316 total cpu time spent up to now is 40.0 secs Computing kpt #: 317 total cpu time spent up to now is 40.2 secs Computing kpt #: 318 total cpu time spent up to now is 40.3 secs Computing kpt #: 319 total cpu time spent up to now is 40.4 secs Computing kpt #: 320 total cpu time spent up to now is 40.5 secs Computing kpt #: 321 total cpu time spent up to now is 40.6 secs Computing kpt #: 322 total cpu time spent up to now is 40.7 secs Computing kpt #: 323 total cpu time spent up to now is 40.8 secs Computing kpt #: 324 total cpu time spent up to now is 41.0 secs Computing kpt #: 325 total cpu time spent up to now is 41.1 secs Computing kpt #: 326 total cpu time spent up to now is 41.2 secs Computing kpt #: 327 total cpu time spent up to now is 41.3 secs Computing kpt #: 328 total cpu time spent up to now is 41.4 secs Computing kpt #: 329 total cpu time spent up to now is 41.5 secs Computing kpt #: 330 total cpu time spent up to now is 41.6 secs Computing kpt #: 331 total cpu time spent up to now is 41.7 secs Computing kpt #: 332 total cpu time spent up to now is 41.9 secs Computing kpt #: 333 total cpu time spent up to now is 42.0 secs Computing kpt #: 334 total cpu time spent up to now is 42.1 secs Computing kpt #: 335 total cpu time spent up to now is 42.2 secs Computing kpt #: 336 total cpu time spent up to now is 42.3 secs Computing kpt #: 337 total cpu time spent up to now is 42.5 secs Computing kpt #: 338 total cpu time spent up to now is 42.6 secs Computing kpt #: 339 total cpu time spent up to now is 42.7 secs Computing kpt #: 340 total cpu time spent up to now is 42.9 secs Computing kpt #: 341 total cpu time spent up to now is 43.0 secs Computing kpt #: 342 total cpu time spent up to now is 43.1 secs Computing kpt #: 343 total cpu time spent up to now is 43.3 secs Computing kpt #: 344 total cpu time spent up to now is 43.5 secs Computing kpt #: 345 total cpu time spent up to now is 43.7 secs Computing kpt #: 346 total cpu time spent up to now is 43.9 secs Computing kpt #: 347 total cpu time spent up to now is 44.2 secs Computing kpt #: 348 total cpu time spent up to now is 44.3 secs Computing kpt #: 349 total cpu time spent up to now is 44.5 secs Computing kpt #: 350 total cpu time spent up to now is 44.6 secs Computing kpt #: 351 total cpu time spent up to now is 44.7 secs Computing kpt #: 352 total cpu time spent up to now is 44.9 secs Computing kpt #: 353 total cpu time spent up to now is 45.0 secs Computing kpt #: 354 total cpu time spent up to now is 45.1 secs Computing kpt #: 355 total cpu time spent up to now is 45.3 secs Computing kpt #: 356 total cpu time spent up to now is 45.4 secs Computing kpt #: 357 total cpu time spent up to now is 45.5 secs Computing kpt #: 358 total cpu time spent up to now is 45.6 secs Computing kpt #: 359 total cpu time spent up to now is 45.7 secs Computing kpt #: 360 total cpu time spent up to now is 45.8 secs Computing kpt #: 361 total cpu time spent up to now is 46.0 secs Computing kpt #: 362 total cpu time spent up to now is 46.1 secs Computing kpt #: 363 total cpu time spent up to now is 46.2 secs Computing kpt #: 364 total cpu time spent up to now is 46.3 secs Computing kpt #: 365 total cpu time spent up to now is 46.4 secs Computing kpt #: 366 total cpu time spent up to now is 46.5 secs Computing kpt #: 367 total cpu time spent up to now is 46.6 secs Computing kpt #: 368 total cpu time spent up to now is 46.7 secs Computing kpt #: 369 total cpu time spent up to now is 46.8 secs Computing kpt #: 370 total cpu time spent up to now is 46.9 secs Computing kpt #: 371 total cpu time spent up to now is 47.0 secs Computing kpt #: 372 total cpu time spent up to now is 47.1 secs Computing kpt #: 373 total cpu time spent up to now is 47.2 secs Computing kpt #: 374 total cpu time spent up to now is 47.3 secs Computing kpt #: 375 total cpu time spent up to now is 47.4 secs Computing kpt #: 376 total cpu time spent up to now is 47.5 secs Computing kpt #: 377 total cpu time spent up to now is 47.6 secs Computing kpt #: 378 total cpu time spent up to now is 47.7 secs Computing kpt #: 379 total cpu time spent up to now is 47.8 secs Computing kpt #: 380 total cpu time spent up to now is 47.9 secs Computing kpt #: 381 total cpu time spent up to now is 48.1 secs Computing kpt #: 382 total cpu time spent up to now is 48.2 secs Computing kpt #: 383 total cpu time spent up to now is 48.3 secs Computing kpt #: 384 total cpu time spent up to now is 48.4 secs Computing kpt #: 385 total cpu time spent up to now is 48.5 secs Computing kpt #: 386 total cpu time spent up to now is 48.6 secs Computing kpt #: 387 total cpu time spent up to now is 48.7 secs Computing kpt #: 388 total cpu time spent up to now is 48.8 secs Computing kpt #: 389 total cpu time spent up to now is 48.9 secs Computing kpt #: 390 total cpu time spent up to now is 49.0 secs Computing kpt #: 391 total cpu time spent up to now is 49.1 secs Computing kpt #: 392 total cpu time spent up to now is 49.2 secs Computing kpt #: 393 total cpu time spent up to now is 49.3 secs Computing kpt #: 394 total cpu time spent up to now is 49.4 secs Computing kpt #: 395 total cpu time spent up to now is 49.5 secs Computing kpt #: 396 total cpu time spent up to now is 49.6 secs Computing kpt #: 397 total cpu time spent up to now is 49.7 secs Computing kpt #: 398 total cpu time spent up to now is 49.8 secs Computing kpt #: 399 total cpu time spent up to now is 49.9 secs Computing kpt #: 400 total cpu time spent up to now is 50.0 secs Computing kpt #: 401 total cpu time spent up to now is 50.0 secs Computing kpt #: 402 total cpu time spent up to now is 50.1 secs Computing kpt #: 403 total cpu time spent up to now is 50.2 secs Computing kpt #: 404 total cpu time spent up to now is 50.3 secs Computing kpt #: 405 total cpu time spent up to now is 50.4 secs Computing kpt #: 406 total cpu time spent up to now is 50.5 secs Computing kpt #: 407 total cpu time spent up to now is 50.5 secs Computing kpt #: 408 total cpu time spent up to now is 50.6 secs Computing kpt #: 409 total cpu time spent up to now is 50.7 secs ethr = 5.00E-08, avg # of iterations = 15.9 total cpu time spent up to now is 50.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2479 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8828 -37.8828 -37.8705 -37.8705 -37.6019 -37.6019 -37.5866 -37.5866 -37.5822 -37.5822 -37.5821 -37.5821 -1.6723 -1.6723 3.4862 3.4862 3.8584 3.8584 15.8367 15.8367 15.8408 15.8408 15.8839 15.8839 k = 0.0088 0.0051-0.0000 ( 2487 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8829 -37.8829 -37.8705 -37.8705 -37.6019 -37.6019 -37.5867 -37.5867 -37.5822 -37.5822 -37.5821 -37.5821 -1.6708 -1.6708 3.4875 3.4875 3.8598 3.8598 15.6940 15.6940 15.7222 15.7222 15.9796 15.9796 k = 0.0175 0.0101-0.0000 ( 2487 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8829 -37.8829 -37.8705 -37.8705 -37.6019 -37.6019 -37.5867 -37.5867 -37.5823 -37.5823 -37.5822 -37.5822 -1.6664 -1.6664 3.4915 3.4915 3.8642 3.8642 15.4891 15.4891 15.5851 15.5851 16.0255 16.0255 k = 0.0263 0.0152-0.0000 ( 2491 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8829 -37.8829 -37.8706 -37.8706 -37.6019 -37.6019 -37.5867 -37.5867 -37.5824 -37.5824 -37.5822 -37.5822 -1.6590 -1.6590 3.4983 3.4983 3.8714 3.8714 15.2603 15.2603 15.4495 15.4495 16.0161 16.0161 k = 0.0351 0.0203-0.0000 ( 2483 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8828 -37.8828 -37.8707 -37.8707 -37.6019 -37.6019 -37.5867 -37.5867 -37.5824 -37.5824 -37.5823 -37.5823 -1.6486 -1.6486 3.5078 3.5078 3.8816 3.8816 15.0172 15.0172 15.3163 15.3163 15.9689 15.9689 k = 0.0439 0.0253-0.0000 ( 2485 PWs) bands (ev): -70.9453 -70.9453 -70.9429 -70.9429 -37.8829 -37.8829 -37.8707 -37.8707 -37.6019 -37.6019 -37.5868 -37.5868 -37.5826 -37.5826 -37.5823 -37.5823 -1.6352 -1.6352 3.5199 3.5199 3.8946 3.8946 14.7648 14.7648 15.1852 15.1852 15.8971 15.8971 k = 0.0526 0.0304-0.0000 ( 2485 PWs) bands (ev): -70.9453 -70.9453 -70.9429 -70.9429 -37.8829 -37.8829 -37.8708 -37.8708 -37.6019 -37.6019 -37.5869 -37.5869 -37.5827 -37.5827 -37.5823 -37.5823 -1.6189 -1.6189 3.5348 3.5348 3.9105 3.9105 14.5067 14.5067 15.0565 15.0565 15.8091 15.8091 k = 0.0614 0.0355-0.0000 ( 2481 PWs) bands (ev): -70.9453 -70.9453 -70.9429 -70.9429 -37.8829 -37.8829 -37.8709 -37.8709 -37.6018 -37.6018 -37.5870 -37.5870 -37.5828 -37.5828 -37.5824 -37.5824 -1.5996 -1.5996 3.5524 3.5524 3.9293 3.9293 14.2450 14.2450 14.9302 14.9302 15.7101 15.7101 k = 0.0702 0.0405-0.0000 ( 2477 PWs) bands (ev): -70.9453 -70.9453 -70.9429 -70.9429 -37.8830 -37.8830 -37.8710 -37.8710 -37.6018 -37.6018 -37.5871 -37.5871 -37.5830 -37.5830 -37.5824 -37.5824 -1.5774 -1.5774 3.5727 3.5727 3.9510 3.9510 13.9812 13.9812 14.8064 14.8064 15.6034 15.6034 k = 0.0789 0.0456-0.0000 ( 2477 PWs) bands (ev): -70.9452 -70.9452 -70.9428 -70.9428 -37.8830 -37.8830 -37.8712 -37.8712 -37.6018 -37.6018 -37.5873 -37.5873 -37.5832 -37.5832 -37.5824 -37.5824 -1.5522 -1.5522 3.5957 3.5957 3.9755 3.9755 13.7162 13.7162 14.6850 14.6850 15.4912 15.4912 k = 0.0877 0.0506-0.0000 ( 2479 PWs) bands (ev): -70.9452 -70.9452 -70.9428 -70.9428 -37.8831 -37.8831 -37.8713 -37.8713 -37.6018 -37.6018 -37.5874 -37.5874 -37.5835 -37.5835 -37.5825 -37.5825 -1.5241 -1.5241 3.6214 3.6214 4.0029 4.0029 13.4508 13.4508 14.5661 14.5661 15.3749 15.3749 k = 0.0965 0.0557-0.0000 ( 2471 PWs) bands (ev): -70.9452 -70.9452 -70.9428 -70.9428 -37.8831 -37.8831 -37.8714 -37.8714 -37.6017 -37.6017 -37.5876 -37.5876 -37.5837 -37.5837 -37.5825 -37.5825 -1.4929 -1.4929 3.6499 3.6499 4.0331 4.0331 13.1857 13.1857 14.4497 14.4497 15.2559 15.2559 k = 0.1053 0.0608-0.0000 ( 2465 PWs) bands (ev): -70.9451 -70.9451 -70.9428 -70.9428 -37.8831 -37.8831 -37.8716 -37.8716 -37.6017 -37.6017 -37.5878 -37.5878 -37.5840 -37.5840 -37.5826 -37.5826 -1.4589 -1.4589 3.6810 3.6810 4.0662 4.0662 12.9212 12.9212 14.3360 14.3360 15.1347 15.1347 k = 0.1140 0.0658-0.0000 ( 2463 PWs) bands (ev): -70.9451 -70.9451 -70.9428 -70.9428 -37.8832 -37.8832 -37.8718 -37.8718 -37.6017 -37.6017 -37.5880 -37.5880 -37.5843 -37.5843 -37.5827 -37.5827 -1.4219 -1.4219 3.7149 3.7149 4.1020 4.1020 12.6576 12.6576 14.2246 14.2246 15.0120 15.0120 k = 0.1228 0.0709-0.0000 ( 2463 PWs) bands (ev): -70.9451 -70.9451 -70.9428 -70.9428 -37.8833 -37.8833 -37.8720 -37.8720 -37.6016 -37.6016 -37.5882 -37.5882 -37.5846 -37.5846 -37.5827 -37.5827 -1.3819 -1.3819 3.7514 3.7514 4.1407 4.1407 12.3952 12.3952 14.1156 14.1156 14.8881 14.8881 k = 0.1316 0.0760-0.0000 ( 2463 PWs) bands (ev): -70.9450 -70.9450 -70.9427 -70.9427 -37.8834 -37.8834 -37.8722 -37.8722 -37.6016 -37.6016 -37.5884 -37.5884 -37.5849 -37.5849 -37.5828 -37.5828 -1.3391 -1.3391 3.7907 3.7907 4.1822 4.1822 12.1342 12.1342 14.0092 14.0092 14.7633 14.7633 k = 0.1404 0.0810-0.0000 ( 2465 PWs) bands (ev): -70.9450 -70.9450 -70.9427 -70.9427 -37.8835 -37.8835 -37.8724 -37.8724 -37.6016 -37.6016 -37.5887 -37.5887 -37.5853 -37.5853 -37.5829 -37.5829 -1.2933 -1.2933 3.8326 3.8326 4.2264 4.2264 11.8749 11.8749 13.9053 13.9053 14.6377 14.6377 k = 0.1491 0.0861-0.0000 ( 2467 PWs) bands (ev): -70.9449 -70.9449 -70.9427 -70.9427 -37.8835 -37.8835 -37.8727 -37.8727 -37.6016 -37.6016 -37.5889 -37.5889 -37.5856 -37.5856 -37.5830 -37.5830 -1.2445 -1.2445 3.8773 3.8773 4.2734 4.2734 11.6173 11.6173 13.8039 13.8039 14.5115 14.5115 k = 0.1579 0.0912-0.0000 ( 2463 PWs) bands (ev): -70.9449 -70.9449 -70.9427 -70.9427 -37.8836 -37.8836 -37.8729 -37.8729 -37.6015 -37.6015 -37.5892 -37.5892 -37.5860 -37.5860 -37.5831 -37.5831 -1.1928 -1.1928 3.9247 3.9247 4.3231 4.3231 11.3616 11.3616 13.7050 13.7050 14.3846 14.3846 k = 0.1667 0.0962-0.0000 ( 2463 PWs) bands (ev): -70.9448 -70.9448 -70.9427 -70.9427 -37.8837 -37.8837 -37.8731 -37.8731 -37.6015 -37.6015 -37.5894 -37.5894 -37.5864 -37.5864 -37.5832 -37.5832 -1.1383 -1.1383 3.9748 3.9748 4.3755 4.3755 11.1079 11.1079 13.6087 13.6087 14.2571 14.2571 k = 0.1754 0.1013-0.0000 ( 2463 PWs) bands (ev): -70.9448 -70.9448 -70.9426 -70.9426 -37.8838 -37.8838 -37.8734 -37.8734 -37.6015 -37.6015 -37.5897 -37.5897 -37.5868 -37.5868 -37.5834 -37.5834 -1.0808 -1.0808 4.0277 4.0277 4.4305 4.4305 10.8564 10.8564 13.5148 13.5148 14.1288 14.1288 k = 0.1842 0.1064-0.0000 ( 2471 PWs) bands (ev): -70.9447 -70.9447 -70.9426 -70.9426 -37.8839 -37.8839 -37.8737 -37.8737 -37.6015 -37.6015 -37.5900 -37.5900 -37.5872 -37.5872 -37.5835 -37.5835 -1.0203 -1.0203 4.0832 4.0832 4.4881 4.4881 10.6070 10.6070 13.4235 13.4235 13.9997 13.9997 k = 0.1930 0.1114-0.0000 ( 2471 PWs) bands (ev): -70.9447 -70.9447 -70.9426 -70.9426 -37.8840 -37.8840 -37.8740 -37.8740 -37.6014 -37.6014 -37.5903 -37.5903 -37.5877 -37.5877 -37.5836 -37.5836 -0.9570 -0.9570 4.1415 4.1415 4.5484 4.5484 10.3600 10.3600 13.3347 13.3347 13.8695 13.8695 k = 0.2018 0.1165-0.0000 ( 2471 PWs) bands (ev): -70.9446 -70.9446 -70.9426 -70.9426 -37.8841 -37.8841 -37.8743 -37.8743 -37.6014 -37.6014 -37.5906 -37.5906 -37.5881 -37.5881 -37.5838 -37.5838 -0.8908 -0.8908 4.2025 4.2025 4.6111 4.6111 10.1153 10.1153 13.2485 13.2485 13.7382 13.7382 k = 0.2105 0.1215-0.0000 ( 2471 PWs) bands (ev): -70.9446 -70.9446 -70.9425 -70.9425 -37.8842 -37.8842 -37.8746 -37.8746 -37.6014 -37.6014 -37.5909 -37.5909 -37.5885 -37.5885 -37.5839 -37.5839 -0.8217 -0.8217 4.2662 4.2662 4.6763 4.6763 9.8733 9.8733 13.1647 13.1647 13.6054 13.6054 k = 0.2193 0.1266-0.0000 ( 2467 PWs) bands (ev): -70.9445 -70.9445 -70.9425 -70.9425 -37.8843 -37.8843 -37.8748 -37.8748 -37.6014 -37.6014 -37.5911 -37.5911 -37.5890 -37.5890 -37.5840 -37.5840 -0.7497 -0.7497 4.3326 4.3326 4.7439 4.7439 9.6338 9.6338 13.0835 13.0835 13.4710 13.4710 k = 0.2281 0.1317-0.0000 ( 2463 PWs) bands (ev): -70.9444 -70.9444 -70.9425 -70.9425 -37.8844 -37.8844 -37.8751 -37.8751 -37.6013 -37.6013 -37.5914 -37.5914 -37.5894 -37.5894 -37.5841 -37.5841 -0.6748 -0.6748 4.4017 4.4017 4.8137 4.8137 9.3969 9.3969 13.0048 13.0048 13.3348 13.3348 k = 0.2368 0.1367-0.0000 ( 2463 PWs) bands (ev): -70.9444 -70.9444 -70.9425 -70.9425 -37.8845 -37.8845 -37.8754 -37.8754 -37.6013 -37.6013 -37.5917 -37.5917 -37.5898 -37.5898 -37.5843 -37.5843 -0.5971 -0.5971 4.4736 4.4736 4.8857 4.8857 9.1629 9.1629 12.9286 12.9286 13.1966 13.1966 k = 0.2456 0.1418-0.0000 ( 2463 PWs) bands (ev): -70.9443 -70.9443 -70.9425 -70.9425 -37.8846 -37.8846 -37.8757 -37.8757 -37.6013 -37.6013 -37.5920 -37.5920 -37.5903 -37.5903 -37.5844 -37.5844 -0.5165 -0.5165 4.5482 4.5482 4.9597 4.9597 8.9319 8.9319 12.8549 12.8549 13.0562 13.0562 k = 0.2544 0.1469-0.0000 ( 2467 PWs) bands (ev): -70.9442 -70.9442 -70.9424 -70.9424 -37.8847 -37.8847 -37.8760 -37.8760 -37.6013 -37.6013 -37.5923 -37.5923 -37.5908 -37.5908 -37.5845 -37.5845 -0.4331 -0.4331 4.6254 4.6254 5.0355 5.0355 8.7041 8.7041 12.7837 12.7837 12.9134 12.9134 k = 0.2632 0.1519-0.0000 ( 2463 PWs) bands (ev): -70.9442 -70.9442 -70.9424 -70.9424 -37.8848 -37.8848 -37.8764 -37.8764 -37.6013 -37.6013 -37.5925 -37.5925 -37.5912 -37.5912 -37.5847 -37.5847 -0.3468 -0.3468 4.7054 4.7054 5.1128 5.1128 8.4798 8.4798 12.7150 12.7150 12.7683 12.7683 k = 0.2719 0.1570-0.0000 ( 2463 PWs) bands (ev): -70.9441 -70.9441 -70.9424 -70.9424 -37.8849 -37.8849 -37.8767 -37.8767 -37.6013 -37.6013 -37.5927 -37.5927 -37.5917 -37.5917 -37.5848 -37.5848 -0.2577 -0.2577 4.7881 4.7881 5.1914 5.1914 8.2594 8.2594 12.6203 12.6203 12.6491 12.6491 k = 0.2807 0.1621-0.0000 ( 2459 PWs) bands (ev): -70.9441 -70.9441 -70.9424 -70.9424 -37.8850 -37.8850 -37.8770 -37.8770 -37.6012 -37.6012 -37.5930 -37.5930 -37.5922 -37.5922 -37.5850 -37.5850 -0.1657 -0.1657 4.8736 4.8736 5.2706 5.2706 8.0434 8.0434 12.4703 12.4703 12.5853 12.5853 k = 0.2895 0.1671-0.0000 ( 2461 PWs) bands (ev): -70.9440 -70.9440 -70.9424 -70.9424 -37.8851 -37.8851 -37.8773 -37.8773 -37.6013 -37.6013 -37.5932 -37.5932 -37.5926 -37.5926 -37.5851 -37.5851 -0.0709 -0.0709 4.9617 4.9617 5.3498 5.3498 7.8324 7.8324 12.3179 12.3179 12.4438 12.4438 k = 0.2982 0.1722-0.0000 ( 2469 PWs) bands (ev): -70.9439 -70.9439 -70.9423 -70.9423 -37.8852 -37.8852 -37.8776 -37.8776 -37.6013 -37.6013 -37.5935 -37.5935 -37.5931 -37.5931 -37.5853 -37.5853 0.0267 0.0267 5.0527 5.0527 5.4277 5.4277 7.6275 7.6275 12.1632 12.1632 12.2249 12.2249 k = 0.3070 0.1773-0.0000 ( 2473 PWs) bands (ev): -70.9439 -70.9439 -70.9423 -70.9423 -37.8853 -37.8853 -37.8780 -37.8780 -37.6013 -37.6013 -37.5938 -37.5938 -37.5935 -37.5935 -37.5854 -37.5854 0.1271 0.1271 5.1463 5.1463 5.5029 5.5029 7.4305 7.4305 12.0048 12.0048 12.0100 12.0100 k = 0.3158 0.1823-0.0000 ( 2471 PWs) bands (ev): -70.9438 -70.9438 -70.9423 -70.9423 -37.8854 -37.8854 -37.8783 -37.8783 -37.6013 -37.6013 -37.5941 -37.5941 -37.5937 -37.5937 -37.5856 -37.5856 0.2303 0.2303 5.2426 5.2426 5.5725 5.5725 7.2440 7.2440 11.7943 11.7943 11.8481 11.8481 k = 0.3246 0.1874-0.0000 ( 2471 PWs) bands (ev): -70.9438 -70.9438 -70.9423 -70.9423 -37.8854 -37.8854 -37.8786 -37.8786 -37.6013 -37.6013 -37.5945 -37.5945 -37.5939 -37.5939 -37.5857 -37.5857 0.3362 0.3362 5.3417 5.3417 5.6323 5.6323 7.0724 7.0724 11.5832 11.5832 11.6879 11.6879 k = 0.3333 0.1925-0.0000 ( 2463 PWs) bands (ev): -70.9437 -70.9437 -70.9423 -70.9423 -37.8855 -37.8855 -37.8789 -37.8789 -37.6013 -37.6013 -37.5949 -37.5949 -37.5941 -37.5941 -37.5859 -37.5859 0.4450 0.4450 5.4435 5.4435 5.6754 5.6754 6.9226 6.9226 11.3747 11.3747 11.5266 11.5266 k = 0.3421 0.1975-0.0000 ( 2463 PWs) bands (ev): -70.9436 -70.9436 -70.9423 -70.9423 -37.8855 -37.8855 -37.8791 -37.8791 -37.6013 -37.6013 -37.5953 -37.5953 -37.5943 -37.5943 -37.5860 -37.5860 0.5565 0.5565 5.5479 5.5479 5.6914 5.6914 6.8048 6.8048 11.1688 11.1688 11.3642 11.3642 k = 0.3509 0.2026-0.0000 ( 2459 PWs) bands (ev): -70.9436 -70.9436 -70.9422 -70.9422 -37.8856 -37.8856 -37.8794 -37.8794 -37.6013 -37.6013 -37.5957 -37.5957 -37.5944 -37.5944 -37.5861 -37.5861 0.6708 0.6708 5.6539 5.6539 5.6702 5.6702 6.7301 6.7301 10.9658 10.9658 11.2010 11.2010 k = 0.3596 0.2076-0.0000 ( 2455 PWs) bands (ev): -70.9435 -70.9435 -70.9422 -70.9422 -37.8856 -37.8856 -37.8797 -37.8797 -37.6013 -37.6013 -37.5961 -37.5961 -37.5945 -37.5945 -37.5863 -37.5863 0.7878 0.7878 5.6024 5.6024 5.7653 5.7653 6.7045 6.7045 10.7653 10.7653 11.0373 11.0373 k = 0.3684 0.2127-0.0000 ( 2455 PWs) bands (ev): -70.9435 -70.9435 -70.9422 -70.9422 -37.8857 -37.8857 -37.8800 -37.8800 -37.6013 -37.6013 -37.5965 -37.5965 -37.5946 -37.5946 -37.5864 -37.5864 0.9075 0.9075 5.4966 5.4966 5.8778 5.8778 6.7233 6.7233 10.5677 10.5677 10.8734 10.8734 k = 0.3772 0.2178-0.0000 ( 2457 PWs) bands (ev): -70.9434 -70.9434 -70.9422 -70.9422 -37.8857 -37.8857 -37.8802 -37.8802 -37.6013 -37.6013 -37.5969 -37.5969 -37.5947 -37.5947 -37.5865 -37.5865 1.0299 1.0299 5.3622 5.3622 5.9930 5.9930 6.7753 6.7753 10.3727 10.3727 10.7096 10.7096 k = 0.3860 0.2228-0.0000 ( 2459 PWs) bands (ev): -70.9434 -70.9434 -70.9422 -70.9422 -37.8858 -37.8858 -37.8805 -37.8805 -37.6013 -37.6013 -37.5972 -37.5972 -37.5948 -37.5948 -37.5867 -37.5867 1.1551 1.1551 5.2100 5.2100 6.1109 6.1109 6.8500 6.8500 10.1806 10.1806 10.5461 10.5461 k = 0.3947 0.2279-0.0000 ( 2463 PWs) bands (ev): -70.9433 -70.9433 -70.9422 -70.9422 -37.8858 -37.8858 -37.8807 -37.8807 -37.6013 -37.6013 -37.5976 -37.5976 -37.5948 -37.5948 -37.5868 -37.5868 1.2829 1.2829 5.0472 5.0472 6.2314 6.2314 6.9401 6.9401 9.9913 9.9913 10.3830 10.3830 k = 0.4035 0.2330-0.0000 ( 2459 PWs) bands (ev): -70.9433 -70.9433 -70.9422 -70.9422 -37.8858 -37.8858 -37.8809 -37.8809 -37.6013 -37.6013 -37.5979 -37.5979 -37.5949 -37.5949 -37.5869 -37.5869 1.4134 1.4134 4.8784 4.8784 6.3546 6.3546 7.0409 7.0409 9.8048 9.8048 10.2207 10.2207 k = 0.4123 0.2380-0.0000 ( 2459 PWs) bands (ev): -70.9432 -70.9432 -70.9422 -70.9422 -37.8858 -37.8858 -37.8812 -37.8812 -37.6013 -37.6013 -37.5982 -37.5982 -37.5949 -37.5949 -37.5870 -37.5870 1.5466 1.5466 4.7065 4.7065 6.4804 6.4804 7.1494 7.1494 9.6213 9.6213 10.0593 10.0593 k = 0.4211 0.2431-0.0000 ( 2455 PWs) bands (ev): -70.9432 -70.9432 -70.9422 -70.9422 -37.8859 -37.8859 -37.8813 -37.8813 -37.6013 -37.6013 -37.5985 -37.5985 -37.5950 -37.5950 -37.5871 -37.5871 1.6824 1.6824 4.5332 4.5332 6.6087 6.6087 7.2639 7.2639 9.4408 9.4408 9.8992 9.8992 k = 0.4298 0.2482-0.0000 ( 2453 PWs) bands (ev): -70.9431 -70.9431 -70.9422 -70.9422 -37.8859 -37.8859 -37.8815 -37.8815 -37.6012 -37.6012 -37.5988 -37.5988 -37.5950 -37.5950 -37.5872 -37.5872 1.8208 1.8208 4.3597 4.3597 6.7394 6.7394 7.3830 7.3830 9.2633 9.2633 9.7405 9.7405 k = 0.4386 0.2532-0.0000 ( 2449 PWs) bands (ev): -70.9431 -70.9431 -70.9422 -70.9422 -37.8858 -37.8858 -37.8817 -37.8817 -37.6012 -37.6012 -37.5991 -37.5991 -37.5950 -37.5950 -37.5872 -37.5872 1.9618 1.9618 4.1867 4.1867 6.8724 6.8724 7.5059 7.5059 9.0890 9.0890 9.5836 9.5836 k = 0.4474 0.2583-0.0000 ( 2445 PWs) bands (ev): -70.9431 -70.9431 -70.9422 -70.9422 -37.8858 -37.8858 -37.8818 -37.8818 -37.6011 -37.6011 -37.5993 -37.5993 -37.5950 -37.5950 -37.5873 -37.5873 2.1054 2.1054 4.0147 4.0147 7.0074 7.0074 7.6316 7.6316 8.9182 8.9182 9.4289 9.4289 k = 0.4561 0.2634-0.0000 ( 2451 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8820 -37.8820 -37.6011 -37.6011 -37.5995 -37.5995 -37.5950 -37.5950 -37.5874 -37.5874 2.2515 2.2515 3.8442 3.8442 7.1440 7.1440 7.7593 7.7593 8.7512 8.7512 9.2768 9.2768 k = 0.4649 0.2684-0.0000 ( 2451 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8821 -37.8821 -37.6010 -37.6010 -37.5997 -37.5997 -37.5951 -37.5951 -37.5874 -37.5874 2.4001 2.4001 3.6753 3.6753 7.2816 7.2816 7.8879 7.8879 8.5888 8.5888 9.1285 9.1285 k = 0.4737 0.2735-0.0000 ( 2452 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8822 -37.8822 -37.6010 -37.6010 -37.5999 -37.5999 -37.5951 -37.5951 -37.5875 -37.5875 2.5513 2.5513 3.5082 3.5082 7.4183 7.4183 8.0153 8.0153 8.4328 8.4328 8.9859 8.9859 k = 0.4825 0.2785-0.0000 ( 2452 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8822 -37.8822 -37.6009 -37.6009 -37.6001 -37.6001 -37.5951 -37.5951 -37.5875 -37.5875 2.7048 2.7048 3.3433 3.3433 7.5501 7.5501 8.1367 8.1367 8.2873 8.2873 8.8537 8.8537 k = 0.4912 0.2836-0.0000 ( 2452 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8822 -37.8822 -37.6008 -37.6008 -37.6002 -37.6002 -37.5951 -37.5951 -37.5875 -37.5875 2.8606 2.8606 3.1806 3.1806 7.6635 7.6635 8.1655 8.1655 8.2386 8.2386 8.7453 8.7453 k = 0.5000 0.2887-0.0000 ( 2452 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8822 -37.8822 -37.6008 -37.6008 -37.6002 -37.6002 -37.5951 -37.5951 -37.5875 -37.5875 3.0077 3.0077 3.0312 3.0312 7.7163 7.7163 8.1100 8.1100 8.2842 8.2842 8.6975 8.6975 k = 0.5000 0.2887-0.0000 ( 2452 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8822 -37.8822 -37.6008 -37.6008 -37.6002 -37.6002 -37.5951 -37.5951 -37.5875 -37.5875 3.0077 3.0077 3.0312 3.0312 7.7163 7.7163 8.1100 8.1100 8.2842 8.2842 8.6975 8.6975 k = 0.4949 0.2974-0.0000 ( 2448 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8822 -37.8822 -37.6008 -37.6008 -37.6002 -37.6002 -37.5951 -37.5951 -37.5875 -37.5875 3.0091 3.0091 3.0326 3.0326 7.7177 7.7177 8.1113 8.1113 8.2855 8.2855 8.6963 8.6963 k = 0.4899 0.3062-0.0000 ( 2446 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8822 -37.8822 -37.6008 -37.6008 -37.6002 -37.6002 -37.5951 -37.5951 -37.5876 -37.5876 3.0134 3.0134 3.0368 3.0368 7.7217 7.7217 8.1155 8.1155 8.2893 8.2893 8.6922 8.6922 k = 0.4848 0.3149-0.0000 ( 2446 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8823 -37.8823 -37.6008 -37.6008 -37.6002 -37.6002 -37.5951 -37.5951 -37.5876 -37.5876 3.0205 3.0205 3.0436 3.0436 7.7283 7.7283 8.1224 8.1224 8.2957 8.2957 8.6851 8.6851 k = 0.4798 0.3237-0.0000 ( 2446 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8823 -37.8823 -37.6007 -37.6007 -37.6002 -37.6002 -37.5952 -37.5952 -37.5876 -37.5876 3.0304 3.0304 3.0533 3.0533 7.7375 7.7375 8.1320 8.1320 8.3046 8.3046 8.6741 8.6741 k = 0.4747 0.3324-0.0000 ( 2450 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8823 -37.8823 -37.6007 -37.6007 -37.6002 -37.6002 -37.5952 -37.5952 -37.5877 -37.5877 3.0432 3.0432 3.0657 3.0657 7.7494 7.7494 8.1444 8.1444 8.3160 8.3160 8.6583 8.6583 k = 0.4697 0.3412-0.0000 ( 2448 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8858 -37.8858 -37.8824 -37.8824 -37.6006 -37.6006 -37.6002 -37.6002 -37.5952 -37.5952 -37.5878 -37.5878 3.0588 3.0588 3.0808 3.0808 7.7640 7.7640 8.1595 8.1595 8.3300 8.3300 8.6363 8.6363 k = 0.4646 0.3499-0.0000 ( 2454 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8824 -37.8824 -37.6006 -37.6006 -37.6002 -37.6002 -37.5953 -37.5953 -37.5880 -37.5880 3.0772 3.0772 3.0987 3.0987 7.7811 7.7811 8.1773 8.1773 8.3465 8.3465 8.6063 8.6063 k = 0.4596 0.3587-0.0000 ( 2446 PWs) bands (ev): -70.9429 -70.9429 -70.9422 -70.9422 -37.8858 -37.8858 -37.8824 -37.8824 -37.6005 -37.6005 -37.6001 -37.6001 -37.5953 -37.5953 -37.5881 -37.5881 3.0984 3.0984 3.1194 3.1194 7.8009 7.8009 8.1979 8.1979 8.3655 8.3655 8.5663 8.5663 k = 0.4545 0.3674-0.0000 ( 2446 PWs) bands (ev): -70.9429 -70.9429 -70.9422 -70.9422 -37.8858 -37.8858 -37.8825 -37.8825 -37.6004 -37.6004 -37.6001 -37.6001 -37.5954 -37.5954 -37.5882 -37.5882 3.1225 3.1225 3.1428 3.1428 7.8234 7.8234 8.2213 8.2213 8.3869 8.3869 8.5137 8.5137 k = 0.4495 0.3762-0.0000 ( 2446 PWs) bands (ev): -70.9429 -70.9429 -70.9422 -70.9422 -37.8858 -37.8858 -37.8826 -37.8826 -37.6004 -37.6004 -37.6001 -37.6001 -37.5955 -37.5955 -37.5884 -37.5884 3.1494 3.1494 3.1689 3.1689 7.8486 7.8486 8.2473 8.2473 8.4107 8.4107 8.4463 8.4463 k = 0.4444 0.3849-0.0000 ( 2446 PWs) bands (ev): -70.9429 -70.9429 -70.9422 -70.9422 -37.8858 -37.8858 -37.8826 -37.8826 -37.6003 -37.6003 -37.6001 -37.6001 -37.5956 -37.5956 -37.5886 -37.5886 3.1791 3.1791 3.1979 3.1979 7.8764 7.8764 8.2760 8.2760 8.3616 8.3616 8.4373 8.4373 k = 0.4394 0.3936-0.0000 ( 2450 PWs) bands (ev): -70.9429 -70.9429 -70.9422 -70.9422 -37.8858 -37.8858 -37.8827 -37.8827 -37.6002 -37.6002 -37.6000 -37.6000 -37.5957 -37.5957 -37.5888 -37.5888 3.2115 3.2115 3.2295 3.2295 7.9068 7.9068 8.2593 8.2593 8.3075 8.3075 8.4659 8.4659 k = 0.4343 0.4024-0.0000 ( 2450 PWs) bands (ev): -70.9429 -70.9429 -70.9422 -70.9422 -37.8858 -37.8858 -37.8828 -37.8828 -37.6002 -37.6002 -37.5999 -37.5999 -37.5958 -37.5958 -37.5890 -37.5890 3.2469 3.2469 3.2640 3.2640 7.9398 7.9398 8.1394 8.1394 8.3417 8.3417 8.4970 8.4970 k = 0.4293 0.4111-0.0000 ( 2454 PWs) bands (ev): -70.9428 -70.9428 -70.9422 -70.9422 -37.8858 -37.8858 -37.8829 -37.8829 -37.6001 -37.6001 -37.5999 -37.5999 -37.5959 -37.5959 -37.5892 -37.5892 3.2849 3.2849 3.3011 3.3011 7.9749 7.9749 8.0037 8.0037 8.3785 8.3785 8.5306 8.5306 k = 0.4242 0.4199-0.0000 ( 2454 PWs) bands (ev): -70.9428 -70.9428 -70.9422 -70.9422 -37.8858 -37.8858 -37.8830 -37.8830 -37.6001 -37.6001 -37.5998 -37.5998 -37.5960 -37.5960 -37.5895 -37.5895 3.3258 3.3258 3.3411 3.3411 7.8527 7.8527 8.0140 8.0140 8.4179 8.4179 8.5663 8.5663 k = 0.4192 0.4286-0.0000 ( 2452 PWs) bands (ev): -70.9428 -70.9428 -70.9422 -70.9422 -37.8858 -37.8858 -37.8830 -37.8830 -37.6000 -37.6000 -37.5996 -37.5996 -37.5961 -37.5961 -37.5897 -37.5897 3.3694 3.3694 3.3838 3.3838 7.6907 7.6907 8.0550 8.0550 8.4600 8.4600 8.6043 8.6043 k = 0.4141 0.4374-0.0000 ( 2444 PWs) bands (ev): -70.9428 -70.9428 -70.9422 -70.9422 -37.8857 -37.8857 -37.8831 -37.8831 -37.6000 -37.6000 -37.5995 -37.5995 -37.5961 -37.5961 -37.5899 -37.5899 3.4159 3.4159 3.4292 3.4292 7.5197 7.5197 8.0987 8.0987 8.5046 8.5046 8.6445 8.6445 k = 0.4091 0.4461-0.0000 ( 2444 PWs) bands (ev): -70.9428 -70.9428 -70.9422 -70.9422 -37.8857 -37.8857 -37.8832 -37.8832 -37.6000 -37.6000 -37.5994 -37.5994 -37.5962 -37.5962 -37.5902 -37.5902 3.4650 3.4650 3.4774 3.4774 7.3415 7.3415 8.1450 8.1450 8.5518 8.5518 8.6868 8.6868 k = 0.4040 0.4549-0.0000 ( 2450 PWs) bands (ev): -70.9427 -70.9427 -70.9422 -70.9422 -37.8857 -37.8857 -37.8833 -37.8833 -37.6000 -37.6000 -37.5993 -37.5993 -37.5962 -37.5962 -37.5905 -37.5905 3.5169 3.5169 3.5283 3.5283 7.1582 7.1582 8.1940 8.1940 8.6014 8.6014 8.7310 8.7310 k = 0.3990 0.4636-0.0000 ( 2444 PWs) bands (ev): -70.9427 -70.9427 -70.9422 -70.9422 -37.8856 -37.8856 -37.8834 -37.8834 -37.5999 -37.5999 -37.5992 -37.5992 -37.5963 -37.5963 -37.5907 -37.5907 3.5715 3.5715 3.5820 3.5820 6.9713 6.9713 8.2457 8.2457 8.6535 8.6535 8.7770 8.7770 k = 0.3939 0.4724-0.0000 ( 2444 PWs) bands (ev): -70.9427 -70.9427 -70.9422 -70.9422 -37.8856 -37.8856 -37.8835 -37.8835 -37.5999 -37.5999 -37.5991 -37.5991 -37.5963 -37.5963 -37.5910 -37.5910 3.6288 3.6288 3.6385 3.6385 6.7819 6.7819 8.3000 8.3000 8.7079 8.7079 8.8248 8.8248 k = 0.3889 0.4811-0.0000 ( 2448 PWs) bands (ev): -70.9427 -70.9427 -70.9422 -70.9422 -37.8856 -37.8856 -37.8836 -37.8836 -37.5999 -37.5999 -37.5990 -37.5990 -37.5963 -37.5963 -37.5913 -37.5913 3.6888 3.6888 3.6976 3.6976 6.5909 6.5909 8.3570 8.3570 8.7644 8.7644 8.8740 8.8740 k = 0.3838 0.4899-0.0000 ( 2448 PWs) bands (ev): -70.9426 -70.9426 -70.9423 -70.9423 -37.8855 -37.8855 -37.8837 -37.8837 -37.5999 -37.5999 -37.5990 -37.5990 -37.5963 -37.5963 -37.5916 -37.5916 3.7514 3.7514 3.7595 3.7595 6.3992 6.3992 8.4166 8.4166 8.8228 8.8228 8.9245 8.9245 k = 0.3788 0.4986-0.0000 ( 2446 PWs) bands (ev): -70.9426 -70.9426 -70.9423 -70.9423 -37.8855 -37.8855 -37.8838 -37.8838 -37.5998 -37.5998 -37.5989 -37.5989 -37.5962 -37.5962 -37.5919 -37.5919 3.8168 3.8168 3.8242 3.8242 6.2072 6.2072 8.4789 8.4789 8.8830 8.8830 8.9759 8.9759 k = 0.3737 0.5074-0.0000 ( 2446 PWs) bands (ev): -70.9426 -70.9426 -70.9423 -70.9423 -37.8855 -37.8855 -37.8839 -37.8839 -37.5998 -37.5998 -37.5989 -37.5989 -37.5961 -37.5961 -37.5922 -37.5922 3.8847 3.8847 3.8917 3.8917 6.0155 6.0155 8.5439 8.5439 8.9444 8.9444 9.0278 9.0278 k = 0.3687 0.5161-0.0000 ( 2444 PWs) bands (ev): -70.9426 -70.9426 -70.9423 -70.9423 -37.8854 -37.8854 -37.8841 -37.8841 -37.5998 -37.5998 -37.5989 -37.5989 -37.5960 -37.5960 -37.5924 -37.5924 3.9552 3.9552 3.9618 3.9618 5.8246 5.8246 8.6115 8.6115 9.0063 9.0063 9.0797 9.0797 k = 0.3636 0.5249-0.0000 ( 2448 PWs) bands (ev): -70.9425 -70.9425 -70.9423 -70.9423 -37.8853 -37.8853 -37.8842 -37.8842 -37.5998 -37.5998 -37.5989 -37.5989 -37.5958 -37.5958 -37.5927 -37.5927 4.0284 4.0284 4.0346 4.0346 5.6344 5.6344 8.6818 8.6818 9.0678 9.0678 9.1307 9.1307 k = 0.3586 0.5336-0.0000 ( 2444 PWs) bands (ev): -70.9425 -70.9425 -70.9423 -70.9423 -37.8852 -37.8852 -37.8843 -37.8843 -37.5998 -37.5998 -37.5988 -37.5988 -37.5957 -37.5957 -37.5930 -37.5930 4.1041 4.1041 4.1102 4.1102 5.4455 5.4455 8.7548 8.7548 9.1270 9.1270 9.1799 9.1799 k = 0.3535 0.5424-0.0000 ( 2446 PWs) bands (ev): -70.9425 -70.9425 -70.9423 -70.9423 -37.8852 -37.8852 -37.8844 -37.8844 -37.5998 -37.5998 -37.5989 -37.5989 -37.5955 -37.5955 -37.5932 -37.5932 4.1823 4.1823 4.1886 4.1886 5.2579 5.2579 8.8304 8.8304 9.1806 9.1806 9.2259 9.2259 k = 0.3485 0.5511-0.0000 ( 2450 PWs) bands (ev): -70.9425 -70.9425 -70.9423 -70.9423 -37.8851 -37.8851 -37.8845 -37.8845 -37.5998 -37.5998 -37.5989 -37.5989 -37.5954 -37.5954 -37.5935 -37.5935 4.2629 4.2629 4.2697 4.2697 5.0719 5.0719 8.9087 8.9087 9.2226 9.2226 9.2669 9.2669 k = 0.3434 0.5599-0.0000 ( 2450 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8846 -37.8846 -37.5998 -37.5998 -37.5989 -37.5989 -37.5952 -37.5952 -37.5937 -37.5937 4.3461 4.3461 4.3535 4.3535 4.8876 4.8876 8.9896 8.9896 9.2423 9.2423 9.3003 9.3003 k = 0.3384 0.5686-0.0000 ( 2450 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8847 -37.8847 -37.5998 -37.5998 -37.5989 -37.5989 -37.5951 -37.5951 -37.5938 -37.5938 4.4315 4.4315 4.4399 4.4399 4.7052 4.7052 9.0733 9.0733 9.2245 9.2245 9.3231 9.3231 k = 0.3333 0.5774-0.0000 ( 2442 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8848 -37.8848 -37.8848 -37.8848 -37.5998 -37.5998 -37.5988 -37.5988 -37.5950 -37.5950 -37.5939 -37.5939 4.5169 4.5169 4.5225 4.5225 4.5338 4.5338 9.1595 9.1595 9.1597 9.1597 9.3316 9.3316 k = 0.3333 0.5774-0.0000 ( 2442 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8848 -37.8848 -37.8848 -37.8848 -37.5998 -37.5998 -37.5988 -37.5988 -37.5950 -37.5950 -37.5939 -37.5939 4.5169 4.5169 4.5225 4.5225 4.5338 4.5338 9.1595 9.1595 9.1597 9.1597 9.3316 9.3316 k = 0.3282 0.5685-0.0000 ( 2446 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8847 -37.8847 -37.5998 -37.5998 -37.5989 -37.5989 -37.5951 -37.5951 -37.5938 -37.5938 4.3429 4.3429 4.6110 4.6110 4.6229 4.6229 9.0522 9.0522 9.2499 9.2499 9.3217 9.3217 k = 0.3231 0.5596-0.0000 ( 2446 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8846 -37.8846 -37.5998 -37.5998 -37.5989 -37.5989 -37.5952 -37.5952 -37.5937 -37.5937 4.1639 4.1639 4.7046 4.7046 4.7191 4.7191 8.9187 8.9187 9.2899 9.2899 9.3435 9.3435 k = 0.3179 0.5507-0.0000 ( 2442 PWs) bands (ev): -70.9425 -70.9425 -70.9423 -70.9423 -37.8851 -37.8851 -37.8845 -37.8845 -37.5998 -37.5998 -37.5989 -37.5989 -37.5953 -37.5953 -37.5935 -37.5935 3.9870 3.9870 4.8004 4.8004 4.8182 4.8182 8.7716 8.7716 9.2365 9.2365 9.4392 9.4392 k = 0.3128 0.5418-0.0000 ( 2440 PWs) bands (ev): -70.9425 -70.9425 -70.9423 -70.9423 -37.8852 -37.8852 -37.8843 -37.8843 -37.5998 -37.5998 -37.5989 -37.5989 -37.5955 -37.5955 -37.5932 -37.5932 3.8123 3.8123 4.8981 4.8981 4.9201 4.9201 8.6179 8.6179 9.1627 9.1627 9.5379 9.5379 k = 0.3077 0.5329-0.0000 ( 2440 PWs) bands (ev): -70.9425 -70.9425 -70.9423 -70.9423 -37.8853 -37.8853 -37.8842 -37.8842 -37.5997 -37.5997 -37.5989 -37.5989 -37.5956 -37.5956 -37.5930 -37.5930 3.6399 3.6399 4.9977 4.9977 5.0248 5.0248 8.4614 8.4614 9.0722 9.0722 9.6393 9.6393 k = 0.3026 0.5241-0.0000 ( 2440 PWs) bands (ev): -70.9426 -70.9426 -70.9423 -70.9423 -37.8854 -37.8854 -37.8841 -37.8841 -37.5997 -37.5997 -37.5989 -37.5989 -37.5958 -37.5958 -37.5927 -37.5927 3.4700 3.4700 5.0989 5.0989 5.1323 5.1323 8.3042 8.3042 8.9692 8.9692 9.7435 9.7435 k = 0.2974 0.5152-0.0000 ( 2436 PWs) bands (ev): -70.9426 -70.9426 -70.9423 -70.9423 -37.8854 -37.8854 -37.8839 -37.8839 -37.5996 -37.5996 -37.5989 -37.5989 -37.5959 -37.5959 -37.5924 -37.5924 3.3024 3.3024 5.2014 5.2014 5.2427 5.2427 8.1474 8.1474 8.8579 8.8579 9.8505 9.8505 k = 0.2923 0.5063-0.0000 ( 2444 PWs) bands (ev): -70.9426 -70.9426 -70.9423 -70.9423 -37.8855 -37.8855 -37.8837 -37.8837 -37.5996 -37.5996 -37.5990 -37.5990 -37.5960 -37.5960 -37.5922 -37.5922 3.1372 3.1372 5.3049 5.3049 5.3558 5.3558 7.9918 7.9918 8.7413 8.7413 9.9603 9.9603 k = 0.2872 0.4974-0.0000 ( 2448 PWs) bands (ev): -70.9427 -70.9427 -70.9422 -70.9422 -37.8856 -37.8856 -37.8836 -37.8836 -37.5995 -37.5995 -37.5991 -37.5991 -37.5961 -37.5961 -37.5919 -37.5919 2.9746 2.9746 5.4090 5.4090 5.4717 5.4717 7.8379 7.8379 8.6223 8.6223 10.0728 10.0728 k = 0.2821 0.4885-0.0000 ( 2452 PWs) bands (ev): -70.9427 -70.9427 -70.9422 -70.9422 -37.8857 -37.8857 -37.8834 -37.8834 -37.5994 -37.5994 -37.5991 -37.5991 -37.5961 -37.5961 -37.5916 -37.5916 2.8144 2.8144 5.5132 5.5132 5.5905 5.5905 7.6859 7.6859 8.5033 8.5033 10.1881 10.1881 k = 0.2769 0.4796-0.0000 ( 2448 PWs) bands (ev): -70.9427 -70.9427 -70.9422 -70.9422 -37.8857 -37.8857 -37.8832 -37.8832 -37.5994 -37.5994 -37.5991 -37.5991 -37.5961 -37.5961 -37.5913 -37.5913 2.6568 2.6568 5.6169 5.6169 5.7120 5.7120 7.5362 7.5362 8.3861 8.3861 10.3062 10.3062 k = 0.2718 0.4708-0.0000 ( 2442 PWs) bands (ev): -70.9428 -70.9428 -70.9422 -70.9422 -37.8857 -37.8857 -37.8830 -37.8830 -37.5994 -37.5994 -37.5991 -37.5991 -37.5961 -37.5961 -37.5910 -37.5910 2.5018 2.5018 5.7190 5.7190 5.8364 5.8364 7.3887 7.3887 8.2727 8.2727 10.4271 10.4271 k = 0.2667 0.4619-0.0000 ( 2442 PWs) bands (ev): -70.9428 -70.9428 -70.9422 -70.9422 -37.8858 -37.8858 -37.8828 -37.8828 -37.5994 -37.5994 -37.5989 -37.5989 -37.5961 -37.5961 -37.5907 -37.5907 2.3494 2.3494 5.8182 5.8182 5.9636 5.9636 7.2437 7.2437 8.1648 8.1648 10.5507 10.5507 k = 0.2615 0.4530-0.0000 ( 2437 PWs) bands (ev): -70.9429 -70.9429 -70.9422 -70.9422 -37.8858 -37.8858 -37.8825 -37.8825 -37.5995 -37.5995 -37.5988 -37.5988 -37.5960 -37.5960 -37.5904 -37.5904 2.1996 2.1996 5.9131 5.9131 6.0936 6.0936 7.1012 7.1012 8.0647 8.0647 10.6772 10.6772 k = 0.2564 0.4441-0.0000 ( 2437 PWs) bands (ev): -70.9429 -70.9429 -70.9422 -70.9422 -37.8858 -37.8858 -37.8823 -37.8823 -37.5996 -37.5996 -37.5986 -37.5986 -37.5959 -37.5959 -37.5901 -37.5901 2.0524 2.0524 6.0012 6.0012 6.2263 6.2263 6.9613 6.9613 7.9749 7.9749 10.8064 10.8064 k = 0.2513 0.4352-0.0000 ( 2441 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8858 -37.8858 -37.8821 -37.8821 -37.5997 -37.5997 -37.5984 -37.5984 -37.5958 -37.5958 -37.5899 -37.5899 1.9079 1.9079 6.0798 6.0798 6.3619 6.3619 6.8240 6.8240 7.8987 7.8987 10.9383 10.9383 k = 0.2462 0.4264-0.0000 ( 2439 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8858 -37.8858 -37.8819 -37.8819 -37.5998 -37.5998 -37.5982 -37.5982 -37.5957 -37.5957 -37.5896 -37.5896 1.7660 1.7660 6.1454 6.1454 6.5002 6.5002 6.6895 6.6895 7.8398 7.8398 11.0730 11.0730 k = 0.2410 0.4175-0.0000 ( 2439 PWs) bands (ev): -70.9431 -70.9431 -70.9422 -70.9422 -37.8858 -37.8858 -37.8816 -37.8816 -37.5999 -37.5999 -37.5980 -37.5980 -37.5956 -37.5956 -37.5893 -37.5893 1.6269 1.6269 6.1943 6.1943 6.5573 6.5573 6.6415 6.6415 7.8020 7.8020 11.2106 11.2106 k = 0.2359 0.4086-0.0000 ( 2447 PWs) bands (ev): -70.9431 -70.9431 -70.9422 -70.9422 -37.8858 -37.8858 -37.8814 -37.8814 -37.6000 -37.6000 -37.5978 -37.5978 -37.5955 -37.5955 -37.5890 -37.5890 1.4904 1.4904 6.2230 6.2230 6.4282 6.4282 6.7853 6.7853 7.7888 7.7888 11.3509 11.3509 k = 0.2308 0.3997-0.0000 ( 2447 PWs) bands (ev): -70.9432 -70.9432 -70.9422 -70.9422 -37.8858 -37.8858 -37.8811 -37.8811 -37.6001 -37.6001 -37.5975 -37.5975 -37.5953 -37.5953 -37.5888 -37.5888 1.3567 1.3567 6.2296 6.2296 6.3019 6.3019 6.9320 6.9320 7.8024 7.8024 11.4940 11.4940 k = 0.2256 0.3908-0.0000 ( 2443 PWs) bands (ev): -70.9432 -70.9432 -70.9422 -70.9422 -37.8857 -37.8857 -37.8808 -37.8808 -37.6002 -37.6002 -37.5973 -37.5973 -37.5951 -37.5951 -37.5885 -37.5885 1.2257 1.2257 6.1774 6.1774 6.2154 6.2154 7.0814 7.0814 7.8427 7.8427 11.6399 11.6399 k = 0.2205 0.3819-0.0000 ( 2449 PWs) bands (ev): -70.9433 -70.9433 -70.9422 -70.9422 -37.8857 -37.8857 -37.8806 -37.8806 -37.6003 -37.6003 -37.5970 -37.5970 -37.5949 -37.5949 -37.5882 -37.5882 1.0974 1.0974 6.0567 6.0567 6.1804 6.1804 7.2336 7.2336 7.9074 7.9074 11.7884 11.7884 k = 0.2154 0.3731-0.0000 ( 2453 PWs) bands (ev): -70.9434 -70.9434 -70.9422 -70.9422 -37.8857 -37.8857 -37.8803 -37.8803 -37.6003 -37.6003 -37.5967 -37.5967 -37.5947 -37.5947 -37.5880 -37.5880 0.9720 0.9720 5.9385 5.9385 6.1297 6.1297 7.3886 7.3886 7.9931 7.9931 11.9397 11.9397 k = 0.2103 0.3642-0.0000 ( 2453 PWs) bands (ev): -70.9434 -70.9434 -70.9422 -70.9422 -37.8856 -37.8856 -37.8800 -37.8800 -37.6004 -37.6004 -37.5964 -37.5964 -37.5945 -37.5945 -37.5877 -37.5877 0.8493 0.8493 5.8230 5.8230 6.0666 6.0666 7.5464 7.5464 8.0962 8.0962 12.0938 12.0938 k = 0.2051 0.3553-0.0000 ( 2449 PWs) bands (ev): -70.9435 -70.9435 -70.9422 -70.9422 -37.8856 -37.8856 -37.8797 -37.8797 -37.6005 -37.6005 -37.5961 -37.5961 -37.5942 -37.5942 -37.5875 -37.5875 0.7294 0.7294 5.7103 5.7103 5.9945 5.9945 7.7069 7.7069 8.2134 8.2134 12.2508 12.2508 k = 0.2000 0.3464-0.0000 ( 2453 PWs) bands (ev): -70.9436 -70.9436 -70.9422 -70.9422 -37.8855 -37.8855 -37.8794 -37.8794 -37.6006 -37.6006 -37.5958 -37.5958 -37.5940 -37.5940 -37.5872 -37.5872 0.6123 0.6123 5.6004 5.6004 5.9161 5.9161 7.8701 7.8701 8.3419 8.3419 12.4105 12.4105 k = 0.1949 0.3375-0.0000 ( 2453 PWs) bands (ev): -70.9436 -70.9436 -70.9422 -70.9422 -37.8855 -37.8855 -37.8791 -37.8791 -37.6006 -37.6006 -37.5955 -37.5955 -37.5937 -37.5937 -37.5869 -37.5869 0.4980 0.4980 5.4932 5.4932 5.8334 5.8334 8.0361 8.0361 8.4798 8.4798 12.5730 12.5730 k = 0.1897 0.3286-0.0000 ( 2451 PWs) bands (ev): -70.9437 -70.9437 -70.9423 -70.9423 -37.8854 -37.8854 -37.8787 -37.8787 -37.6007 -37.6007 -37.5952 -37.5952 -37.5934 -37.5934 -37.5867 -37.5867 0.3866 0.3866 5.3888 5.3888 5.7481 5.7481 8.2048 8.2048 8.6255 8.6255 12.7382 12.7382 k = 0.1846 0.3198-0.0000 ( 2453 PWs) bands (ev): -70.9438 -70.9438 -70.9423 -70.9423 -37.8853 -37.8853 -37.8784 -37.8784 -37.6008 -37.6008 -37.5948 -37.5948 -37.5931 -37.5931 -37.5865 -37.5865 0.2779 0.2779 5.2873 5.2873 5.6614 5.6614 8.3762 8.3762 8.7778 8.7778 12.9062 12.9062 k = 0.1795 0.3109-0.0000 ( 2453 PWs) bands (ev): -70.9438 -70.9438 -70.9423 -70.9423 -37.8852 -37.8852 -37.8781 -37.8781 -37.6008 -37.6008 -37.5945 -37.5945 -37.5928 -37.5928 -37.5863 -37.5863 0.1722 0.1722 5.1886 5.1886 5.5741 5.5741 8.5503 8.5503 8.9358 8.9358 13.0770 13.0770 k = 0.1744 0.3020-0.0000 ( 2453 PWs) bands (ev): -70.9439 -70.9439 -70.9423 -70.9423 -37.8852 -37.8852 -37.8778 -37.8778 -37.6009 -37.6009 -37.5942 -37.5942 -37.5924 -37.5924 -37.5860 -37.5860 0.0693 0.0693 5.0926 5.0926 5.4869 5.4869 8.7271 8.7271 9.0988 9.0988 13.2505 13.2505 k = 0.1692 0.2931-0.0000 ( 2461 PWs) bands (ev): -70.9440 -70.9440 -70.9423 -70.9423 -37.8851 -37.8851 -37.8775 -37.8775 -37.6009 -37.6009 -37.5939 -37.5939 -37.5921 -37.5921 -37.5858 -37.5858 -0.0307 -0.0307 4.9993 4.9993 5.4004 5.4004 8.9067 8.9067 9.2664 9.2664 13.4266 13.4266 k = 0.1641 0.2842-0.0000 ( 2465 PWs) bands (ev): -70.9440 -70.9440 -70.9424 -70.9424 -37.8850 -37.8850 -37.8772 -37.8772 -37.6010 -37.6010 -37.5936 -37.5936 -37.5917 -37.5917 -37.5856 -37.5856 -0.1279 -0.1279 4.9089 4.9089 5.3149 5.3149 9.0888 9.0888 9.4382 9.4382 13.6056 13.6056 k = 0.1590 0.2754-0.0000 ( 2465 PWs) bands (ev): -70.9441 -70.9441 -70.9424 -70.9424 -37.8849 -37.8849 -37.8768 -37.8768 -37.6010 -37.6010 -37.5933 -37.5933 -37.5913 -37.5913 -37.5854 -37.5854 -0.2221 -0.2221 4.8213 4.8213 5.2308 5.2308 9.2737 9.2737 9.6137 9.6137 13.7873 13.7873 k = 0.1538 0.2665-0.0000 ( 2465 PWs) bands (ev): -70.9442 -70.9442 -70.9424 -70.9424 -37.8848 -37.8848 -37.8765 -37.8765 -37.6011 -37.6011 -37.5929 -37.5929 -37.5909 -37.5909 -37.5852 -37.5852 -0.3135 -0.3135 4.7364 4.7364 5.1484 5.1484 9.4612 9.4612 9.7929 9.7929 13.9718 13.9718 k = 0.1487 0.2576-0.0000 ( 2465 PWs) bands (ev): -70.9442 -70.9442 -70.9424 -70.9424 -37.8847 -37.8847 -37.8762 -37.8762 -37.6011 -37.6011 -37.5926 -37.5926 -37.5905 -37.5905 -37.5850 -37.5850 -0.4019 -0.4019 4.6543 4.6543 5.0678 5.0678 9.6514 9.6514 9.9754 9.9754 14.1589 14.1589 k = 0.1436 0.2487-0.0000 ( 2461 PWs) bands (ev): -70.9443 -70.9443 -70.9424 -70.9424 -37.8846 -37.8846 -37.8759 -37.8759 -37.6011 -37.6011 -37.5923 -37.5923 -37.5901 -37.5901 -37.5848 -37.5848 -0.4875 -0.4875 4.5751 4.5751 4.9892 4.9892 9.8442 9.8442 10.1611 10.1611 14.3487 14.3487 k = 0.1385 0.2398-0.0000 ( 2461 PWs) bands (ev): -70.9444 -70.9444 -70.9425 -70.9425 -37.8845 -37.8845 -37.8755 -37.8755 -37.6012 -37.6012 -37.5920 -37.5920 -37.5897 -37.5897 -37.5846 -37.5846 -0.5701 -0.5701 4.4987 4.4987 4.9128 4.9128 10.0395 10.0395 10.3498 10.3498 14.5412 14.5412 k = 0.1333 0.2309-0.0000 ( 2467 PWs) bands (ev): -70.9444 -70.9444 -70.9425 -70.9425 -37.8844 -37.8844 -37.8752 -37.8752 -37.6012 -37.6012 -37.5917 -37.5917 -37.5893 -37.5893 -37.5844 -37.5844 -0.6497 -0.6497 4.4250 4.4250 4.8386 4.8386 10.2375 10.2375 10.5414 10.5414 14.7362 14.7362 k = 0.1282 0.2221-0.0000 ( 2467 PWs) bands (ev): -70.9445 -70.9445 -70.9425 -70.9425 -37.8843 -37.8843 -37.8749 -37.8749 -37.6013 -37.6013 -37.5913 -37.5913 -37.5889 -37.5889 -37.5843 -37.5843 -0.7265 -0.7265 4.3540 4.3540 4.7667 4.7667 10.4379 10.4379 10.7359 10.7359 14.9339 14.9339 k = 0.1231 0.2132-0.0000 ( 2467 PWs) bands (ev): -70.9445 -70.9445 -70.9425 -70.9425 -37.8842 -37.8842 -37.8746 -37.8746 -37.6013 -37.6013 -37.5910 -37.5910 -37.5884 -37.5884 -37.5841 -37.5841 -0.8003 -0.8003 4.2859 4.2859 4.6973 4.6973 10.6409 10.6409 10.9329 10.9329 15.1342 15.1342 k = 0.1179 0.2043-0.0000 ( 2471 PWs) bands (ev): -70.9446 -70.9446 -70.9426 -70.9426 -37.8841 -37.8841 -37.8743 -37.8743 -37.6014 -37.6014 -37.5907 -37.5907 -37.5880 -37.5880 -37.5839 -37.5839 -0.8711 -0.8711 4.2206 4.2206 4.6302 4.6302 10.8464 10.8464 11.1324 11.1324 15.3371 15.3371 k = 0.1128 0.1954-0.0000 ( 2473 PWs) bands (ev): -70.9447 -70.9447 -70.9426 -70.9426 -37.8840 -37.8840 -37.8741 -37.8741 -37.6014 -37.6014 -37.5904 -37.5904 -37.5876 -37.5876 -37.5838 -37.5838 -0.9390 -0.9390 4.1581 4.1581 4.5659 4.5659 11.0542 11.0542 11.3344 11.3344 15.5424 15.5424 k = 0.1077 0.1865-0.0000 ( 2469 PWs) bands (ev): -70.9447 -70.9447 -70.9426 -70.9426 -37.8839 -37.8839 -37.8738 -37.8738 -37.6014 -37.6014 -37.5901 -37.5901 -37.5872 -37.5872 -37.5836 -37.5836 -1.0039 -1.0039 4.0983 4.0983 4.5041 4.5041 11.2645 11.2645 11.5389 11.5389 15.7503 15.7503 k = 0.1026 0.1776-0.0000 ( 2469 PWs) bands (ev): -70.9448 -70.9448 -70.9426 -70.9426 -37.8838 -37.8838 -37.8735 -37.8735 -37.6015 -37.6015 -37.5898 -37.5898 -37.5868 -37.5868 -37.5835 -37.5835 -1.0658 -1.0658 4.0414 4.0414 4.4449 4.4449 11.4772 11.4772 11.7455 11.7455 15.9606 15.9606 k = 0.0974 0.1688-0.0000 ( 2473 PWs) bands (ev): -70.9448 -70.9448 -70.9427 -70.9427 -37.8838 -37.8838 -37.8732 -37.8732 -37.6015 -37.6015 -37.5896 -37.5896 -37.5864 -37.5864 -37.5834 -37.5834 -1.1248 -1.1248 3.9872 3.9872 4.3885 4.3885 11.6920 11.6920 11.9542 11.9542 16.1733 16.1733 k = 0.0923 0.1599-0.0000 ( 2473 PWs) bands (ev): -70.9449 -70.9449 -70.9427 -70.9427 -37.8837 -37.8837 -37.8730 -37.8730 -37.6015 -37.6015 -37.5893 -37.5893 -37.5860 -37.5860 -37.5832 -37.5832 -1.1807 -1.1807 3.9358 3.9358 4.3348 4.3348 11.9091 11.9091 12.1650 12.1650 16.3457 16.3457 k = 0.0872 0.1510-0.0000 ( 2469 PWs) bands (ev): -70.9449 -70.9449 -70.9427 -70.9427 -37.8836 -37.8836 -37.8727 -37.8727 -37.6016 -37.6016 -37.5890 -37.5890 -37.5857 -37.5857 -37.5831 -37.5831 -1.2337 -1.2337 3.8873 3.8873 4.2838 4.2838 12.1284 12.1284 12.3777 12.3777 16.4224 16.4224 k = 0.0821 0.1421-0.0000 ( 2469 PWs) bands (ev): -70.9450 -70.9450 -70.9427 -70.9427 -37.8835 -37.8835 -37.8725 -37.8725 -37.6016 -37.6016 -37.5887 -37.5887 -37.5853 -37.5853 -37.5830 -37.5830 -1.2837 -1.2837 3.8414 3.8414 4.2357 4.2357 12.3497 12.3497 12.5920 12.5920 16.4785 16.4785 k = 0.0769 0.1332-0.0000 ( 2465 PWs) bands (ev): -70.9450 -70.9450 -70.9427 -70.9427 -37.8834 -37.8834 -37.8722 -37.8722 -37.6016 -37.6016 -37.5885 -37.5885 -37.5849 -37.5849 -37.5829 -37.5829 -1.3306 -1.3306 3.7984 3.7984 4.1903 4.1903 12.5730 12.5730 12.8079 12.8079 16.4683 16.4683 k = 0.0718 0.1244-0.0000 ( 2473 PWs) bands (ev): -70.9451 -70.9451 -70.9428 -70.9428 -37.8833 -37.8833 -37.8721 -37.8721 -37.6016 -37.6016 -37.5883 -37.5883 -37.5846 -37.5846 -37.5828 -37.5828 -1.3746 -1.3746 3.7581 3.7581 4.1478 4.1478 12.7980 12.7980 13.0250 13.0250 16.4380 16.4380 k = 0.0667 0.1155-0.0000 ( 2465 PWs) bands (ev): -70.9451 -70.9451 -70.9428 -70.9428 -37.8832 -37.8832 -37.8718 -37.8718 -37.6016 -37.6016 -37.5880 -37.5880 -37.5843 -37.5843 -37.5827 -37.5827 -1.4156 -1.4156 3.7207 3.7207 4.1082 4.1082 13.0248 13.0248 13.2433 13.2433 16.4079 16.4079 k = 0.0615 0.1066-0.0000 ( 2463 PWs) bands (ev): -70.9451 -70.9451 -70.9428 -70.9428 -37.8831 -37.8831 -37.8716 -37.8716 -37.6017 -37.6017 -37.5878 -37.5878 -37.5840 -37.5840 -37.5827 -37.5827 -1.4535 -1.4535 3.6860 3.6860 4.0714 4.0714 13.2530 13.2530 13.4624 13.4624 16.3786 16.3786 k = 0.0564 0.0977-0.0000 ( 2463 PWs) bands (ev): -70.9452 -70.9452 -70.9428 -70.9428 -37.8831 -37.8831 -37.8715 -37.8715 -37.6017 -37.6017 -37.5876 -37.5876 -37.5837 -37.5837 -37.5826 -37.5826 -1.4884 -1.4884 3.6541 3.6541 4.0375 4.0375 13.4825 13.4825 13.6818 13.6818 16.3505 16.3505 k = 0.0513 0.0888-0.0000 ( 2463 PWs) bands (ev): -70.9452 -70.9452 -70.9428 -70.9428 -37.8830 -37.8830 -37.8713 -37.8713 -37.6017 -37.6017 -37.5874 -37.5874 -37.5835 -37.5835 -37.5825 -37.5825 -1.5203 -1.5203 3.6249 3.6249 4.0065 4.0065 13.7130 13.7130 13.9012 13.9012 16.3238 16.3238 k = 0.0462 0.0799-0.0000 ( 2475 PWs) bands (ev): -70.9452 -70.9452 -70.9428 -70.9428 -37.8830 -37.8830 -37.8712 -37.8712 -37.6018 -37.6018 -37.5873 -37.5873 -37.5833 -37.5833 -37.5825 -37.5825 -1.5492 -1.5492 3.5985 3.5985 3.9785 3.9785 13.9440 13.9440 14.1200 14.1200 16.2983 16.2983 k = 0.0410 0.0711-0.0000 ( 2479 PWs) bands (ev): -70.9453 -70.9453 -70.9429 -70.9429 -37.8830 -37.8830 -37.8710 -37.8710 -37.6018 -37.6018 -37.5871 -37.5871 -37.5830 -37.5830 -37.5824 -37.5824 -1.5750 -1.5750 3.5749 3.5749 3.9533 3.9533 14.1753 14.1753 14.3375 14.3375 16.2742 16.2742 k = 0.0359 0.0622-0.0000 ( 2483 PWs) bands (ev): -70.9453 -70.9453 -70.9429 -70.9429 -37.8829 -37.8829 -37.8709 -37.8709 -37.6018 -37.6018 -37.5870 -37.5870 -37.5829 -37.5829 -37.5824 -37.5824 -1.5978 -1.5978 3.5540 3.5540 3.9311 3.9311 14.4062 14.4062 14.5528 14.5528 16.2510 16.2510 k = 0.0308 0.0533-0.0000 ( 2491 PWs) bands (ev): -70.9453 -70.9453 -70.9429 -70.9429 -37.8829 -37.8829 -37.8708 -37.8708 -37.6019 -37.6019 -37.5869 -37.5869 -37.5827 -37.5827 -37.5823 -37.5823 -1.6176 -1.6176 3.5360 3.5360 3.9118 3.9118 14.6358 14.6358 14.7648 14.7648 16.2279 16.2279 k = 0.0256 0.0444-0.0000 ( 2487 PWs) bands (ev): -70.9453 -70.9453 -70.9429 -70.9429 -37.8829 -37.8829 -37.8707 -37.8707 -37.6019 -37.6019 -37.5868 -37.5868 -37.5826 -37.5826 -37.5823 -37.5823 -1.6343 -1.6343 3.5208 3.5208 3.8955 3.8955 14.8631 14.8631 14.9723 14.9723 16.2034 16.2034 k = 0.0205 0.0355-0.0000 ( 2491 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8829 -37.8829 -37.8707 -37.8707 -37.6019 -37.6019 -37.5868 -37.5868 -37.5825 -37.5825 -37.5823 -37.5823 -1.6480 -1.6480 3.5083 3.5083 3.8821 3.8821 15.0864 15.0864 15.1732 15.1732 16.1749 16.1749 k = 0.0154 0.0266-0.0000 ( 2487 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8829 -37.8829 -37.8706 -37.8706 -37.6019 -37.6019 -37.5867 -37.5867 -37.5824 -37.5824 -37.5822 -37.5822 -1.6586 -1.6586 3.4986 3.4986 3.8718 3.8718 15.3033 15.3033 15.3655 15.3655 16.1372 16.1372 k = 0.0103 0.0178-0.0000 ( 2491 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8829 -37.8829 -37.8705 -37.8705 -37.6019 -37.6019 -37.5867 -37.5867 -37.5823 -37.5823 -37.5822 -37.5822 -1.6662 -1.6662 3.4917 3.4917 3.8643 3.8643 15.5097 15.5097 15.5460 15.5460 16.0810 16.0810 k = 0.0051 0.0089-0.0000 ( 2487 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8829 -37.8829 -37.8705 -37.8705 -37.6019 -37.6019 -37.5867 -37.5867 -37.5822 -37.5822 -37.5821 -37.5821 -1.6708 -1.6708 3.4875 3.4875 3.8599 3.8599 15.6986 15.6986 15.7122 15.7122 15.9929 15.9929 k = 0.0000 0.0000 0.0000 ( 2479 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8828 -37.8828 -37.8705 -37.8705 -37.6019 -37.6019 -37.5866 -37.5866 -37.5822 -37.5822 -37.5821 -37.5821 -1.6723 -1.6723 3.4862 3.4862 3.8584 3.8584 15.8367 15.8367 15.8408 15.8408 15.8839 15.8839 k = 0.0000 0.0000 0.0000 ( 2479 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8828 -37.8828 -37.8705 -37.8705 -37.6019 -37.6019 -37.5866 -37.5866 -37.5822 -37.5822 -37.5821 -37.5821 -1.6723 -1.6723 3.4862 3.4862 3.8584 3.8584 15.8367 15.8367 15.8408 15.8408 15.8839 15.8839 k = 0.0000 0.0000 0.0103 ( 2497 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8829 -37.8829 -37.8705 -37.8705 -37.6019 -37.6019 -37.5867 -37.5867 -37.5823 -37.5823 -37.5822 -37.5822 -1.6708 -1.6708 3.4188 3.4188 3.9282 3.9282 15.8379 15.8379 15.8420 15.8420 15.8850 15.8850 k = 0.0000 0.0000 0.0205 ( 2509 PWs) bands (ev): -70.9454 -70.9454 -70.9429 -70.9429 -37.8829 -37.8829 -37.8706 -37.8706 -37.6019 -37.6019 -37.5867 -37.5867 -37.5823 -37.5823 -37.5823 -37.5823 -1.6662 -1.6662 3.2832 3.2832 4.0718 4.0718 15.8416 15.8416 15.8456 15.8456 15.8881 15.8882 k = 0.0000 0.0000 0.0308 ( 2509 PWs) bands (ev): -70.9454 -70.9454 -70.9430 -70.9430 -37.8828 -37.8828 -37.8706 -37.8706 -37.6018 -37.6018 -37.5866 -37.5866 -37.5824 -37.5824 -37.5823 -37.5823 -1.6586 -1.6586 3.1305 3.1305 4.2377 4.2377 15.8477 15.8477 15.8518 15.8518 15.8935 15.8935 k = 0.0000 0.0000 0.0411 ( 2509 PWs) bands (ev): -70.9454 -70.9454 -70.9430 -70.9430 -37.8828 -37.8828 -37.8707 -37.8707 -37.6018 -37.6018 -37.5866 -37.5866 -37.5825 -37.5825 -37.5823 -37.5823 -1.6479 -1.6479 2.9738 2.9738 4.4129 4.4129 15.8564 15.8564 15.8604 15.8604 15.9011 15.9011 k = 0.0000 0.0000 0.0513 ( 2485 PWs) bands (ev): -70.9453 -70.9453 -70.9430 -70.9430 -37.8826 -37.8826 -37.8707 -37.8707 -37.6015 -37.6015 -37.5866 -37.5866 -37.5825 -37.5825 -37.5823 -37.5823 -1.6342 -1.6342 2.8168 2.8168 4.5938 4.5938 15.8675 15.8675 15.8714 15.8714 15.9109 15.9109 k = 0.0000 0.0000 0.0616 ( 2485 PWs) bands (ev): -70.9453 -70.9453 -70.9430 -70.9430 -37.8825 -37.8825 -37.8708 -37.8708 -37.6014 -37.6014 -37.5865 -37.5865 -37.5826 -37.5826 -37.5824 -37.5824 -1.6175 -1.6175 2.6610 2.6610 4.7788 4.7788 15.8809 15.8809 15.8849 15.8849 15.9227 15.9227 k = 0.0000 0.0000 0.0718 ( 2485 PWs) bands (ev): -70.9453 -70.9453 -70.9430 -70.9430 -37.8824 -37.8824 -37.8709 -37.8709 -37.6012 -37.6012 -37.5865 -37.5865 -37.5828 -37.5828 -37.5824 -37.5824 -1.5977 -1.5977 2.5069 2.5069 4.9672 4.9672 15.8963 15.8963 15.9007 15.9007 15.9127 15.9127 k = 0.0000 0.0000 0.0821 ( 2485 PWs) bands (ev): -70.9453 -70.9453 -70.9430 -70.9430 -37.8823 -37.8823 -37.8710 -37.8710 -37.6010 -37.6010 -37.5865 -37.5865 -37.5830 -37.5830 -37.5824 -37.5824 -1.5748 -1.5748 2.3550 2.3550 5.1588 5.1588 15.6933 15.6933 15.9152 15.9152 15.9189 15.9189 k = 0.0000 0.0000 0.0924 ( 2472 PWs) bands (ev): -70.9452 -70.9452 -70.9430 -70.9430 -37.8821 -37.8821 -37.8711 -37.8711 -37.6008 -37.6008 -37.5863 -37.5863 -37.5832 -37.5832 -37.5825 -37.5825 -1.5490 -1.5490 2.2054 2.2054 5.3534 5.3534 15.4608 15.4608 15.9359 15.9359 15.9395 15.9395 k = 0.0000 0.0000 0.1026 ( 2472 PWs) bands (ev): -70.9452 -70.9452 -70.9431 -70.9431 -37.8819 -37.8819 -37.8713 -37.8713 -37.6005 -37.6005 -37.5863 -37.5863 -37.5834 -37.5834 -37.5825 -37.5825 -1.5200 -1.5200 2.0583 2.0583 5.5508 5.5508 15.2177 15.2177 15.9588 15.9588 15.9624 15.9624 k = 0.0000 0.0000 0.1129 ( 2460 PWs) bands (ev): -70.9452 -70.9452 -70.9431 -70.9431 -37.8817 -37.8817 -37.8714 -37.8714 -37.6002 -37.6002 -37.5861 -37.5861 -37.5837 -37.5837 -37.5826 -37.5826 -1.4881 -1.4881 1.9137 1.9137 5.7509 5.7509 14.9669 14.9669 15.9842 15.9842 15.9876 15.9876 k = 0.0000 0.0000 0.1232 ( 2448 PWs) bands (ev): -70.9451 -70.9451 -70.9431 -70.9431 -37.8814 -37.8814 -37.8716 -37.8716 -37.5999 -37.5999 -37.5860 -37.5860 -37.5840 -37.5840 -37.5826 -37.5826 -1.4531 -1.4531 1.7717 1.7717 5.9538 5.9538 14.7105 14.7105 16.0116 16.0116 16.0149 16.0149 k = 0.0000 0.0000 0.1334 ( 2448 PWs) bands (ev): -70.9451 -70.9451 -70.9432 -70.9432 -37.8812 -37.8812 -37.8718 -37.8718 -37.5996 -37.5996 -37.5860 -37.5860 -37.5843 -37.5843 -37.5827 -37.5827 -1.4151 -1.4151 1.6324 1.6324 6.1592 6.1592 14.4501 14.4501 16.0412 16.0412 16.0443 16.0443 k = 0.0000 0.0000 0.1437 ( 2442 PWs) bands (ev): -70.9451 -70.9451 -70.9432 -70.9432 -37.8810 -37.8810 -37.8720 -37.8720 -37.5992 -37.5992 -37.5858 -37.5858 -37.5846 -37.5846 -37.5828 -37.5828 -1.3741 -1.3741 1.4957 1.4957 6.3673 6.3673 14.1870 14.1870 16.0728 16.0728 16.0758 16.0758 k = 0.0000 0.0000 0.1539 ( 2442 PWs) bands (ev): -70.9450 -70.9450 -70.9432 -70.9432 -37.8808 -37.8808 -37.8722 -37.8722 -37.5989 -37.5989 -37.5858 -37.5858 -37.5850 -37.5850 -37.5828 -37.5828 -1.3301 -1.3301 1.3618 1.3618 6.5777 6.5777 13.9224 13.9224 16.1063 16.1063 16.1091 16.1091 k = 0.0000 0.0000 0.1642 ( 2442 PWs) bands (ev): -70.9450 -70.9450 -70.9433 -70.9433 -37.8806 -37.8806 -37.8724 -37.8724 -37.5985 -37.5985 -37.5857 -37.5857 -37.5853 -37.5853 -37.5829 -37.5829 -1.2830 -1.2830 1.2306 1.2306 6.7908 6.7908 13.6566 13.6566 16.1417 16.1417 16.1443 16.1443 k = 0.0000 0.0000 0.1745 ( 2442 PWs) bands (ev): -70.9449 -70.9449 -70.9433 -70.9433 -37.8803 -37.8803 -37.8726 -37.8726 -37.5981 -37.5981 -37.5857 -37.5857 -37.5856 -37.5856 -37.5830 -37.5830 -1.2330 -1.2330 1.1021 1.1021 7.0065 7.0065 13.3904 13.3904 16.1786 16.1787 16.1810 16.1811 k = 0.0000 0.0000 0.1847 ( 2448 PWs) bands (ev): -70.9449 -70.9449 -70.9434 -70.9434 -37.8801 -37.8801 -37.8729 -37.8729 -37.5977 -37.5977 -37.5862 -37.5862 -37.5855 -37.5855 -37.5831 -37.5831 -1.1799 -1.1799 0.9764 0.9764 7.2246 7.2246 13.1243 13.1243 16.2170 16.2172 16.2191 16.2191 k = 0.0000 0.0000 0.1950 ( 2454 PWs) bands (ev): -70.9448 -70.9448 -70.9434 -70.9434 -37.8798 -37.8798 -37.8732 -37.8732 -37.5973 -37.5973 -37.5867 -37.5867 -37.5854 -37.5854 -37.5832 -37.5832 -1.1239 -1.1239 0.8535 0.8535 7.4451 7.4451 12.8586 12.8586 16.2544 16.2544 16.2565 16.2566 k = 0.0000 0.0000 0.2053 ( 2454 PWs) bands (ev): -70.9448 -70.9448 -70.9435 -70.9435 -37.8795 -37.8795 -37.8734 -37.8734 -37.5969 -37.5969 -37.5871 -37.5871 -37.5853 -37.5853 -37.5833 -37.5833 -1.0649 -1.0649 0.7334 0.7334 7.6682 7.6682 12.5938 12.5938 16.2907 16.2907 16.2969 16.2970 k = 0.0000 0.0000 0.2155 ( 2454 PWs) bands (ev): -70.9447 -70.9447 -70.9436 -70.9436 -37.8792 -37.8792 -37.8737 -37.8737 -37.5964 -37.5964 -37.5876 -37.5876 -37.5852 -37.5852 -37.5834 -37.5834 -1.0028 -1.0028 0.6161 0.6161 7.8936 7.8936 12.3300 12.3300 16.3277 16.3277 16.3377 16.3378 k = 0.0000 0.0000 0.2258 ( 2454 PWs) bands (ev): -70.9446 -70.9446 -70.9436 -70.9436 -37.8789 -37.8789 -37.8740 -37.8740 -37.5960 -37.5960 -37.5880 -37.5880 -37.5851 -37.5851 -37.5835 -37.5835 -0.9378 -0.9378 0.5016 0.5016 8.1215 8.1215 12.0674 12.0674 16.3649 16.3649 16.3747 16.3747 k = 0.0000 0.0000 0.2360 ( 2454 PWs) bands (ev): -70.9446 -70.9446 -70.9437 -70.9437 -37.8786 -37.8786 -37.8743 -37.8743 -37.5955 -37.5955 -37.5885 -37.5885 -37.5850 -37.5850 -37.5836 -37.5836 -0.8698 -0.8698 0.3900 0.3900 8.3518 8.3518 11.8063 11.8063 16.4019 16.4019 16.4109 16.4109 k = 0.0000 0.0000 0.2463 ( 2454 PWs) bands (ev): -70.9445 -70.9445 -70.9437 -70.9437 -37.8783 -37.8783 -37.8746 -37.8746 -37.5950 -37.5950 -37.5890 -37.5890 -37.5849 -37.5849 -37.5837 -37.5837 -0.7989 -0.7989 0.2812 0.2812 8.5844 8.5844 11.5467 11.5467 16.4379 16.4379 16.4461 16.4461 k = 0.0000 0.0000 0.2566 ( 2454 PWs) bands (ev): -70.9445 -70.9445 -70.9438 -70.9438 -37.8780 -37.8780 -37.8749 -37.8749 -37.5945 -37.5945 -37.5895 -37.5895 -37.5848 -37.5848 -37.5838 -37.5838 -0.7250 -0.7250 0.1753 0.1753 8.8193 8.8193 11.2888 11.2888 16.4723 16.4723 16.4794 16.4794 k = 0.0000 0.0000 0.2668 ( 2466 PWs) bands (ev): -70.9444 -70.9444 -70.9439 -70.9439 -37.8777 -37.8777 -37.8752 -37.8752 -37.5941 -37.5941 -37.5900 -37.5900 -37.5848 -37.5848 -37.5839 -37.5839 -0.6481 -0.6481 0.0721 0.0721 9.0564 9.0564 11.0326 11.0326 16.5037 16.5037 16.5098 16.5098 k = 0.0000 0.0000 0.2771 ( 2466 PWs) bands (ev): -70.9443 -70.9443 -70.9439 -70.9439 -37.8774 -37.8774 -37.8755 -37.8755 -37.5936 -37.5936 -37.5905 -37.5905 -37.5846 -37.5846 -37.5840 -37.5840 -0.5683 -0.5683 -0.0280 -0.0280 9.2959 9.2959 10.7784 10.7784 16.5313 16.5313 16.5363 16.5363 k = 0.0000 0.0000 0.2874 ( 2484 PWs) bands (ev): -70.9443 -70.9443 -70.9440 -70.9440 -37.8772 -37.8772 -37.8759 -37.8759 -37.5932 -37.5932 -37.5911 -37.5911 -37.5846 -37.5846 -37.5841 -37.5841 -0.4856 -0.4856 -0.1254 -0.1254 9.5374 9.5374 10.5260 10.5260 16.5535 16.5535 16.5573 16.5573 k = 0.0000 0.0000 0.2976 ( 2484 PWs) bands (ev): -70.9442 -70.9442 -70.9441 -70.9441 -37.8769 -37.8769 -37.8762 -37.8762 -37.5926 -37.5926 -37.5916 -37.5916 -37.5845 -37.5845 -37.5842 -37.5842 -0.3999 -0.3999 -0.2198 -0.2198 9.7813 9.7813 10.2757 10.2757 16.5692 16.5692 16.5718 16.5718 k = 0.0000 0.0000 0.3079 ( 2484 PWs) bands (ev): -70.9442 -70.9442 -70.9442 -70.9442 -37.8765 -37.8765 -37.8765 -37.8765 -37.5921 -37.5921 -37.5921 -37.5921 -37.5844 -37.5844 -37.5844 -37.5844 -0.3113 -0.3113 -0.3113 -0.3113 10.0275 10.0275 10.0275 10.0275 16.5769 16.5771 16.5780 16.5784 k = 0.0000 0.0000 0.3079 ( 2484 PWs) bands (ev): -70.9442 -70.9442 -70.9442 -70.9442 -37.8765 -37.8765 -37.8765 -37.8765 -37.5921 -37.5921 -37.5921 -37.5921 -37.5844 -37.5844 -37.5844 -37.5844 -0.3113 -0.3113 -0.3113 -0.3113 10.0275 10.0275 10.0275 10.0275 16.5769 16.5774 16.5780 16.5783 k = 0.0088 0.0051 0.3079 ( 2484 PWs) bands (ev): -70.9442 -70.9442 -70.9442 -70.9442 -37.8765 -37.8765 -37.8765 -37.8765 -37.5921 -37.5921 -37.5921 -37.5921 -37.5844 -37.5844 -37.5844 -37.5844 -0.3099 -0.3099 -0.3099 -0.3099 10.0287 10.0287 10.0287 10.0287 16.5355 16.5355 16.5355 16.5355 k = 0.0175 0.0101 0.3079 ( 2482 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8765 -37.8765 -37.8765 -37.8765 -37.5921 -37.5921 -37.5921 -37.5921 -37.5844 -37.5844 -37.5844 -37.5844 -0.3055 -0.3055 -0.3055 -0.3055 10.0323 10.0323 10.0323 10.0323 16.4202 16.4202 16.4202 16.4202 k = 0.0263 0.0152 0.3079 ( 2476 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8766 -37.8766 -37.8766 -37.8766 -37.5921 -37.5921 -37.5921 -37.5921 -37.5844 -37.5844 -37.5844 -37.5844 -0.2982 -0.2982 -0.2982 -0.2982 10.0384 10.0384 10.0384 10.0384 16.2532 16.2532 16.2532 16.2532 k = 0.0351 0.0203 0.3079 ( 2476 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8766 -37.8766 -37.8766 -37.8766 -37.5922 -37.5922 -37.5922 -37.5922 -37.5845 -37.5845 -37.5845 -37.5845 -0.2879 -0.2879 -0.2879 -0.2879 10.0468 10.0468 10.0468 10.0468 16.0533 16.0533 16.0533 16.0533 k = 0.0439 0.0253 0.3079 ( 2472 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8766 -37.8766 -37.8766 -37.8766 -37.5922 -37.5922 -37.5922 -37.5922 -37.5845 -37.5845 -37.5845 -37.5845 -0.2748 -0.2748 -0.2748 -0.2748 10.0576 10.0576 10.0576 10.0576 15.8328 15.8328 15.8328 15.8328 k = 0.0526 0.0304 0.3079 ( 2472 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8767 -37.8767 -37.8767 -37.8767 -37.5922 -37.5922 -37.5922 -37.5922 -37.5846 -37.5846 -37.5846 -37.5846 -0.2587 -0.2587 -0.2587 -0.2587 10.0708 10.0708 10.0708 10.0708 15.5993 15.5993 15.5993 15.5993 k = 0.0614 0.0355 0.3079 ( 2468 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8768 -37.8768 -37.8768 -37.8768 -37.5923 -37.5923 -37.5923 -37.5923 -37.5847 -37.5847 -37.5847 -37.5847 -0.2397 -0.2397 -0.2397 -0.2397 10.0864 10.0864 10.0864 10.0864 15.3575 15.3575 15.3575 15.3575 k = 0.0702 0.0405 0.3079 ( 2470 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8768 -37.8768 -37.8768 -37.8768 -37.5923 -37.5923 -37.5923 -37.5923 -37.5848 -37.5848 -37.5848 -37.5848 -0.2178 -0.2178 -0.2178 -0.2178 10.1042 10.1042 10.1042 10.1042 15.1104 15.1104 15.1104 15.1104 k = 0.0789 0.0456 0.3079 ( 2470 PWs) bands (ev): -70.9440 -70.9440 -70.9440 -70.9440 -37.8769 -37.8769 -37.8769 -37.8769 -37.5924 -37.5924 -37.5924 -37.5924 -37.5850 -37.5850 -37.5850 -37.5850 -0.1930 -0.1930 -0.1930 -0.1930 10.1242 10.1242 10.1242 10.1242 14.8600 14.8600 14.8601 14.8601 k = 0.0877 0.0506 0.3079 ( 2472 PWs) bands (ev): -70.9440 -70.9440 -70.9440 -70.9440 -37.8771 -37.8771 -37.8771 -37.8771 -37.5925 -37.5925 -37.5925 -37.5925 -37.5851 -37.5851 -37.5851 -37.5851 -0.1652 -0.1652 -0.1652 -0.1652 10.1465 10.1465 10.1465 10.1465 14.6080 14.6080 14.6080 14.6080 k = 0.0965 0.0557 0.3079 ( 2476 PWs) bands (ev): -70.9440 -70.9440 -70.9440 -70.9440 -37.8772 -37.8772 -37.8772 -37.8772 -37.5926 -37.5926 -37.5926 -37.5926 -37.5853 -37.5853 -37.5853 -37.5853 -0.1346 -0.1346 -0.1346 -0.1346 10.1708 10.1708 10.1708 10.1708 14.3552 14.3552 14.3552 14.3552 k = 0.1053 0.0608 0.3079 ( 2480 PWs) bands (ev): -70.9440 -70.9440 -70.9440 -70.9440 -37.8773 -37.8773 -37.8773 -37.8773 -37.5927 -37.5927 -37.5927 -37.5927 -37.5854 -37.5854 -37.5854 -37.5854 -0.1011 -0.1011 -0.1011 -0.1011 10.1971 10.1971 10.1971 10.1971 14.1023 14.1023 14.1023 14.1023 k = 0.1140 0.0658 0.3079 ( 2476 PWs) bands (ev): -70.9440 -70.9440 -70.9440 -70.9440 -37.8774 -37.8774 -37.8774 -37.8774 -37.5928 -37.5928 -37.5928 -37.5928 -37.5856 -37.5856 -37.5856 -37.5856 -0.0646 -0.0646 -0.0646 -0.0646 10.2253 10.2253 10.2253 10.2253 13.8502 13.8502 13.8502 13.8502 k = 0.1228 0.0709 0.3079 ( 2472 PWs) bands (ev): -70.9439 -70.9439 -70.9439 -70.9439 -37.8776 -37.8776 -37.8776 -37.8776 -37.5929 -37.5929 -37.5929 -37.5929 -37.5857 -37.5857 -37.5857 -37.5857 -0.0252 -0.0252 -0.0252 -0.0252 10.2553 10.2553 10.2553 10.2553 13.5994 13.5994 13.5994 13.5994 k = 0.1316 0.0760 0.3079 ( 2468 PWs) bands (ev): -70.9439 -70.9439 -70.9439 -70.9439 -37.8777 -37.8777 -37.8777 -37.8777 -37.5931 -37.5931 -37.5931 -37.5931 -37.5859 -37.5859 -37.5859 -37.5859 0.0170 0.0170 0.0170 0.0170 10.2867 10.2867 10.2867 10.2867 13.3504 13.3504 13.3504 13.3504 k = 0.1404 0.0810 0.3079 ( 2468 PWs) bands (ev): -70.9439 -70.9439 -70.9439 -70.9439 -37.8779 -37.8779 -37.8779 -37.8779 -37.5932 -37.5932 -37.5932 -37.5932 -37.5861 -37.5861 -37.5861 -37.5861 0.0622 0.0622 0.0622 0.0622 10.3191 10.3191 10.3191 10.3191 13.1038 13.1038 13.1038 13.1038 k = 0.1491 0.0861 0.3079 ( 2468 PWs) bands (ev): -70.9438 -70.9438 -70.9438 -70.9438 -37.8780 -37.8780 -37.8780 -37.8780 -37.5934 -37.5934 -37.5934 -37.5934 -37.5862 -37.5862 -37.5862 -37.5862 0.1102 0.1102 0.1102 0.1102 10.3523 10.3523 10.3523 10.3523 12.8602 12.8602 12.8602 12.8602 k = 0.1579 0.0912 0.3079 ( 2472 PWs) bands (ev): -70.9438 -70.9438 -70.9438 -70.9438 -37.8782 -37.8782 -37.8782 -37.8782 -37.5936 -37.5936 -37.5936 -37.5936 -37.5864 -37.5864 -37.5864 -37.5864 0.1611 0.1611 0.1611 0.1611 10.3853 10.3853 10.3853 10.3853 12.6205 12.6205 12.6205 12.6205 k = 0.1667 0.0962 0.3079 ( 2472 PWs) bands (ev): -70.9438 -70.9438 -70.9438 -70.9438 -37.8784 -37.8784 -37.8784 -37.8784 -37.5937 -37.5937 -37.5937 -37.5937 -37.5866 -37.5866 -37.5866 -37.5866 0.2149 0.2149 0.2149 0.2149 10.4173 10.4173 10.4173 10.4173 12.3859 12.3859 12.3859 12.3859 k = 0.1754 0.1013 0.3079 ( 2472 PWs) bands (ev): -70.9437 -70.9437 -70.9437 -70.9437 -37.8786 -37.8786 -37.8786 -37.8786 -37.5939 -37.5939 -37.5939 -37.5939 -37.5868 -37.5868 -37.5868 -37.5868 0.2715 0.2715 0.2715 0.2715 10.4464 10.4464 10.4464 10.4464 12.1582 12.1582 12.1582 12.1582 k = 0.1842 0.1064 0.3079 ( 2464 PWs) bands (ev): -70.9437 -70.9437 -70.9437 -70.9437 -37.8787 -37.8787 -37.8787 -37.8787 -37.5941 -37.5941 -37.5941 -37.5941 -37.5869 -37.5869 -37.5869 -37.5869 0.3310 0.3310 0.3310 0.3310 10.4699 10.4699 10.4699 10.4699 11.9403 11.9403 11.9403 11.9403 k = 0.1930 0.1114 0.3079 ( 2464 PWs) bands (ev): -70.9436 -70.9436 -70.9436 -70.9436 -37.8789 -37.8789 -37.8789 -37.8789 -37.5944 -37.5944 -37.5944 -37.5944 -37.5871 -37.5871 -37.5871 -37.5871 0.3934 0.3934 0.3934 0.3934 10.4832 10.4832 10.4832 10.4832 11.7369 11.7369 11.7369 11.7369 k = 0.2018 0.1165 0.3079 ( 2462 PWs) bands (ev): -70.9436 -70.9436 -70.9436 -70.9436 -37.8791 -37.8791 -37.8791 -37.8791 -37.5946 -37.5946 -37.5946 -37.5946 -37.5873 -37.5873 -37.5873 -37.5873 0.4586 0.4586 0.4586 0.4586 10.4784 10.4784 10.4784 10.4784 11.5557 11.5557 11.5557 11.5557 k = 0.2105 0.1215 0.3079 ( 2458 PWs) bands (ev): -70.9435 -70.9435 -70.9435 -70.9435 -37.8793 -37.8793 -37.8793 -37.8793 -37.5948 -37.5948 -37.5948 -37.5948 -37.5874 -37.5874 -37.5874 -37.5874 0.5267 0.5267 0.5267 0.5267 10.4442 10.4442 10.4442 10.4442 11.4082 11.4082 11.4082 11.4082 k = 0.2193 0.1266 0.3079 ( 2462 PWs) bands (ev): -70.9435 -70.9435 -70.9435 -70.9435 -37.8795 -37.8795 -37.8795 -37.8795 -37.5951 -37.5951 -37.5951 -37.5951 -37.5876 -37.5876 -37.5876 -37.5876 0.5976 0.5976 0.5976 0.5976 10.3688 10.3688 10.3688 10.3688 11.3061 11.3061 11.3061 11.3061 k = 0.2281 0.1317 0.3079 ( 2470 PWs) bands (ev): -70.9435 -70.9435 -70.9435 -70.9435 -37.8798 -37.8798 -37.8798 -37.8798 -37.5954 -37.5954 -37.5954 -37.5954 -37.5878 -37.5878 -37.5878 -37.5878 0.6714 0.6714 0.6714 0.6714 10.2489 10.2489 10.2489 10.2489 11.2529 11.2529 11.2529 11.2529 k = 0.2368 0.1367 0.3079 ( 2468 PWs) bands (ev): -70.9434 -70.9434 -70.9434 -70.9434 -37.8800 -37.8800 -37.8800 -37.8800 -37.5957 -37.5957 -37.5957 -37.5957 -37.5879 -37.5879 -37.5879 -37.5879 0.7480 0.7480 0.7480 0.7480 10.0924 10.0924 10.0924 10.0924 11.2406 11.2406 11.2406 11.2406 k = 0.2456 0.1418 0.3079 ( 2466 PWs) bands (ev): -70.9434 -70.9434 -70.9434 -70.9434 -37.8802 -37.8802 -37.8802 -37.8802 -37.5960 -37.5960 -37.5960 -37.5960 -37.5880 -37.5880 -37.5880 -37.5880 0.8274 0.8274 0.8274 0.8274 9.9117 9.9117 9.9117 9.9117 11.2567 11.2567 11.2567 11.2567 k = 0.2544 0.1469 0.3079 ( 2470 PWs) bands (ev): -70.9433 -70.9433 -70.9433 -70.9433 -37.8804 -37.8804 -37.8804 -37.8804 -37.5963 -37.5963 -37.5963 -37.5963 -37.5882 -37.5882 -37.5882 -37.5882 0.9096 0.9096 0.9096 0.9096 9.7166 9.7166 9.7166 9.7166 11.2914 11.2914 11.2914 11.2914 k = 0.2632 0.1519 0.3079 ( 2474 PWs) bands (ev): -70.9433 -70.9433 -70.9433 -70.9433 -37.8806 -37.8806 -37.8806 -37.8806 -37.5966 -37.5966 -37.5966 -37.5966 -37.5883 -37.5883 -37.5883 -37.5883 0.9946 0.9946 0.9946 0.9946 9.5134 9.5134 9.5134 9.5134 11.3384 11.3384 11.3384 11.3384 k = 0.2719 0.1570 0.3079 ( 2474 PWs) bands (ev): -70.9433 -70.9433 -70.9433 -70.9433 -37.8808 -37.8808 -37.8808 -37.8808 -37.5969 -37.5969 -37.5969 -37.5969 -37.5884 -37.5884 -37.5884 -37.5884 1.0824 1.0824 1.0824 1.0824 9.3060 9.3060 9.3060 9.3060 11.3938 11.3938 11.3938 11.3938 k = 0.2807 0.1621 0.3079 ( 2474 PWs) bands (ev): -70.9432 -70.9432 -70.9432 -70.9432 -37.8810 -37.8810 -37.8810 -37.8810 -37.5972 -37.5972 -37.5972 -37.5972 -37.5885 -37.5885 -37.5885 -37.5885 1.1729 1.1729 1.1729 1.1729 9.0965 9.0965 9.0965 9.0965 11.4554 11.4554 11.4554 11.4554 k = 0.2895 0.1671 0.3079 ( 2470 PWs) bands (ev): -70.9432 -70.9432 -70.9432 -70.9432 -37.8812 -37.8812 -37.8812 -37.8812 -37.5975 -37.5975 -37.5975 -37.5975 -37.5886 -37.5886 -37.5886 -37.5886 1.2663 1.2663 1.2663 1.2663 8.8863 8.8863 8.8863 8.8863 11.5218 11.5218 11.5218 11.5218 k = 0.2982 0.1722 0.3079 ( 2470 PWs) bands (ev): -70.9431 -70.9431 -70.9431 -70.9431 -37.8814 -37.8814 -37.8814 -37.8814 -37.5978 -37.5978 -37.5978 -37.5978 -37.5887 -37.5887 -37.5887 -37.5887 1.3624 1.3624 1.3624 1.3624 8.6762 8.6762 8.6762 8.6762 11.5919 11.5919 11.5919 11.5919 k = 0.3070 0.1773 0.3079 ( 2462 PWs) bands (ev): -70.9431 -70.9431 -70.9431 -70.9431 -37.8816 -37.8816 -37.8816 -37.8816 -37.5981 -37.5981 -37.5981 -37.5981 -37.5888 -37.5888 -37.5888 -37.5888 1.4612 1.4612 1.4612 1.4612 8.4670 8.4670 8.4670 8.4670 11.6650 11.6650 11.6650 11.6650 k = 0.3158 0.1823 0.3079 ( 2458 PWs) bands (ev): -70.9431 -70.9431 -70.9431 -70.9431 -37.8818 -37.8818 -37.8818 -37.8818 -37.5984 -37.5984 -37.5984 -37.5984 -37.5889 -37.5889 -37.5889 -37.5889 1.5628 1.5628 1.5628 1.5628 8.2591 8.2591 8.2591 8.2591 11.7405 11.7405 11.7405 11.7405 k = 0.3246 0.1874 0.3079 ( 2454 PWs) bands (ev): -70.9430 -70.9430 -70.9430 -70.9430 -37.8820 -37.8820 -37.8820 -37.8820 -37.5986 -37.5986 -37.5986 -37.5986 -37.5889 -37.5889 -37.5889 -37.5889 1.6671 1.6671 1.6671 1.6671 8.0525 8.0525 8.0525 8.0525 11.8181 11.8181 11.8181 11.8181 k = 0.3333 0.1925 0.3079 ( 2452 PWs) bands (ev): -70.9430 -70.9430 -70.9430 -70.9430 -37.8822 -37.8822 -37.8822 -37.8822 -37.5989 -37.5989 -37.5989 -37.5989 -37.5890 -37.5890 -37.5890 -37.5890 1.7741 1.7741 1.7741 1.7741 7.8478 7.8478 7.8478 7.8478 11.8973 11.8973 11.8973 11.8973 k = 0.3421 0.1975 0.3079 ( 2452 PWs) bands (ev): -70.9429 -70.9429 -70.9429 -70.9429 -37.8824 -37.8824 -37.8824 -37.8824 -37.5992 -37.5992 -37.5992 -37.5992 -37.5891 -37.5891 -37.5891 -37.5891 1.8838 1.8838 1.8838 1.8838 7.6449 7.6449 7.6449 7.6449 11.9777 11.9777 11.9777 11.9777 k = 0.3509 0.2026 0.3079 ( 2456 PWs) bands (ev): -70.9429 -70.9429 -70.9429 -70.9429 -37.8826 -37.8826 -37.8826 -37.8826 -37.5995 -37.5995 -37.5995 -37.5995 -37.5892 -37.5892 -37.5892 -37.5892 1.9961 1.9961 1.9961 1.9961 7.4441 7.4441 7.4441 7.4441 12.0589 12.0589 12.0589 12.0589 k = 0.3596 0.2076 0.3079 ( 2456 PWs) bands (ev): -70.9429 -70.9429 -70.9429 -70.9429 -37.8827 -37.8827 -37.8827 -37.8827 -37.5998 -37.5998 -37.5998 -37.5998 -37.5892 -37.5892 -37.5892 -37.5892 2.1110 2.1110 2.1110 2.1110 7.2454 7.2454 7.2454 7.2454 12.1405 12.1405 12.1405 12.1405 k = 0.3684 0.2127 0.3079 ( 2464 PWs) bands (ev): -70.9428 -70.9428 -70.9428 -70.9428 -37.8829 -37.8829 -37.8829 -37.8829 -37.6001 -37.6001 -37.6001 -37.6001 -37.5893 -37.5893 -37.5893 -37.5893 2.2285 2.2285 2.2285 2.2285 7.0490 7.0490 7.0490 7.0490 12.2221 12.2221 12.2221 12.2221 k = 0.3772 0.2178 0.3079 ( 2456 PWs) bands (ev): -70.9428 -70.9428 -70.9428 -70.9428 -37.8830 -37.8830 -37.8830 -37.8830 -37.6003 -37.6003 -37.6003 -37.6003 -37.5893 -37.5893 -37.5893 -37.5893 2.3487 2.3487 2.3487 2.3487 6.8551 6.8551 6.8551 6.8551 12.3032 12.3032 12.3032 12.3032 k = 0.3860 0.2228 0.3079 ( 2466 PWs) bands (ev): -70.9428 -70.9428 -70.9428 -70.9428 -37.8832 -37.8832 -37.8832 -37.8832 -37.6005 -37.6005 -37.6005 -37.6005 -37.5894 -37.5894 -37.5894 -37.5894 2.4713 2.4713 2.4713 2.4713 6.6635 6.6635 6.6635 6.6635 12.3833 12.3833 12.3833 12.3833 k = 0.3947 0.2279 0.3079 ( 2470 PWs) bands (ev): -70.9428 -70.9428 -70.9428 -70.9428 -37.8834 -37.8834 -37.8834 -37.8834 -37.6008 -37.6008 -37.6008 -37.6008 -37.5894 -37.5894 -37.5894 -37.5894 2.5963 2.5963 2.5963 2.5963 6.4744 6.4744 6.4744 6.4744 12.4618 12.4618 12.4618 12.4618 k = 0.4035 0.2330 0.3079 ( 2470 PWs) bands (ev): -70.9427 -70.9427 -70.9427 -70.9427 -37.8835 -37.8835 -37.8835 -37.8835 -37.6010 -37.6010 -37.6010 -37.6010 -37.5895 -37.5895 -37.5895 -37.5895 2.7238 2.7238 2.7238 2.7238 6.2881 6.2881 6.2881 6.2881 12.5380 12.5380 12.5380 12.5380 k = 0.4123 0.2380 0.3079 ( 2466 PWs) bands (ev): -70.9427 -70.9427 -70.9427 -70.9427 -37.8836 -37.8836 -37.8836 -37.8836 -37.6012 -37.6012 -37.6012 -37.6012 -37.5895 -37.5895 -37.5895 -37.5895 2.8536 2.8536 2.8536 2.8536 6.1045 6.1045 6.1045 6.1045 12.6112 12.6112 12.6112 12.6112 k = 0.4211 0.2431 0.3079 ( 2462 PWs) bands (ev): -70.9427 -70.9427 -70.9427 -70.9427 -37.8837 -37.8837 -37.8837 -37.8837 -37.6013 -37.6013 -37.6013 -37.6013 -37.5895 -37.5895 -37.5895 -37.5895 2.9854 2.9854 2.9854 2.9854 5.9239 5.9239 5.9239 5.9239 12.6807 12.6807 12.6807 12.6807 k = 0.4298 0.2482 0.3079 ( 2464 PWs) bands (ev): -70.9427 -70.9427 -70.9427 -70.9427 -37.8838 -37.8838 -37.8838 -37.8838 -37.6015 -37.6015 -37.6015 -37.6015 -37.5896 -37.5896 -37.5896 -37.5896 3.1193 3.1193 3.1193 3.1193 5.7464 5.7464 5.7464 5.7464 12.7456 12.7456 12.7456 12.7456 k = 0.4386 0.2532 0.3079 ( 2460 PWs) bands (ev): -70.9427 -70.9427 -70.9427 -70.9427 -37.8839 -37.8839 -37.8839 -37.8839 -37.6016 -37.6016 -37.6016 -37.6016 -37.5896 -37.5896 -37.5896 -37.5896 3.2547 3.2547 3.2547 3.2547 5.5725 5.5725 5.5725 5.5725 12.8051 12.8051 12.8051 12.8051 k = 0.4474 0.2583 0.3079 ( 2452 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8839 -37.8839 -37.8839 -37.8839 -37.6017 -37.6017 -37.6017 -37.6017 -37.5896 -37.5896 -37.5896 -37.5896 3.3913 3.3913 3.3913 3.3913 5.4025 5.4025 5.4025 5.4025 12.8584 12.8584 12.8584 12.8584 k = 0.4561 0.2634 0.3079 ( 2452 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8840 -37.8840 -37.8840 -37.8840 -37.6018 -37.6018 -37.6018 -37.6018 -37.5896 -37.5896 -37.5896 -37.5896 3.5281 3.5281 3.5281 3.5281 5.2374 5.2374 5.2374 5.2374 12.9047 12.9047 12.9047 12.9047 k = 0.4649 0.2684 0.3079 ( 2446 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8840 -37.8840 -37.8840 -37.8840 -37.6019 -37.6019 -37.6019 -37.6019 -37.5896 -37.5896 -37.5896 -37.5896 3.6638 3.6638 3.6638 3.6638 5.0786 5.0786 5.0786 5.0786 12.9434 12.9434 12.9434 12.9434 k = 0.4737 0.2735 0.3079 ( 2444 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8841 -37.8841 -37.8841 -37.8841 -37.6019 -37.6019 -37.6019 -37.6019 -37.5896 -37.5896 -37.5896 -37.5896 3.7952 3.7952 3.7952 3.7952 4.9291 4.9291 4.9291 4.9291 12.9718 12.9718 12.9718 12.9718 k = 0.4825 0.2785 0.3079 ( 2444 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8841 -37.8841 -37.8841 -37.8841 -37.6020 -37.6020 -37.6020 -37.6020 -37.5896 -37.5896 -37.5896 -37.5896 3.9158 3.9158 3.9158 3.9158 4.7957 4.7957 4.7957 4.7957 12.9667 12.9667 12.9667 12.9667 k = 0.4912 0.2836 0.3079 ( 2448 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8841 -37.8841 -37.8841 -37.8841 -37.6020 -37.6020 -37.6020 -37.6020 -37.5897 -37.5897 -37.5897 -37.5897 4.0100 4.0100 4.0100 4.0100 4.6937 4.6937 4.6937 4.6937 12.9630 12.9630 12.9630 12.9630 k = 0.5000 0.2887 0.3079 ( 2456 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8842 -37.8842 -37.8842 -37.8842 -37.6020 -37.6020 -37.6020 -37.6020 -37.5897 -37.5897 -37.5897 -37.5897 4.0484 4.0484 4.0484 4.0484 4.6527 4.6527 4.6527 4.6527 12.9617 12.9617 12.9617 12.9617 k = 0.5000 0.2887 0.3079 ( 2456 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8842 -37.8842 -37.8842 -37.8842 -37.6020 -37.6020 -37.6020 -37.6020 -37.5897 -37.5897 -37.5897 -37.5897 4.0484 4.0484 4.0484 4.0484 4.6527 4.6527 4.6527 4.6527 12.9617 12.9617 12.9617 12.9617 k = 0.4949 0.2974 0.3079 ( 2448 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8842 -37.8842 -37.8841 -37.8841 -37.6021 -37.6021 -37.6019 -37.6019 -37.5898 -37.5898 -37.5896 -37.5896 4.0497 4.0497 4.0498 4.0498 4.6541 4.6541 4.6542 4.6542 12.7703 12.7703 12.7716 12.7716 k = 0.4899 0.3062 0.3079 ( 2448 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8842 -37.8842 -37.8841 -37.8841 -37.6022 -37.6022 -37.6018 -37.6018 -37.5899 -37.5899 -37.5895 -37.5895 4.0537 4.0537 4.0539 4.0539 4.6583 4.6583 4.6585 4.6585 12.5511 12.5511 12.5524 12.5524 k = 0.4848 0.3149 0.3079 ( 2448 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8842 -37.8842 -37.8841 -37.8841 -37.6023 -37.6023 -37.6017 -37.6017 -37.5900 -37.5900 -37.5895 -37.5895 4.0603 4.0603 4.0606 4.0606 4.6654 4.6654 4.6656 4.6656 12.3281 12.3281 12.3293 12.3293 k = 0.4798 0.3237 0.3079 ( 2448 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8842 -37.8842 -37.8842 -37.8842 -37.6023 -37.6023 -37.6016 -37.6016 -37.5901 -37.5901 -37.5894 -37.5894 4.0695 4.0695 4.0699 4.0699 4.6753 4.6753 4.6756 4.6756 12.1025 12.1025 12.1037 12.1037 k = 0.4747 0.3324 0.3079 ( 2444 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8842 -37.8842 -37.8842 -37.8842 -37.6024 -37.6024 -37.6015 -37.6015 -37.5902 -37.5902 -37.5894 -37.5894 4.0814 4.0814 4.0819 4.0819 4.6880 4.6880 4.6885 4.6885 11.8753 11.8753 11.8764 11.8764 k = 0.4697 0.3412 0.3079 ( 2448 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8842 -37.8842 -37.8842 -37.8842 -37.6025 -37.6025 -37.6015 -37.6015 -37.5904 -37.5904 -37.5894 -37.5894 4.0960 4.0960 4.0966 4.0966 4.7036 4.7036 4.7041 4.7041 11.6471 11.6471 11.6481 11.6481 k = 0.4646 0.3499 0.3079 ( 2446 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8843 -37.8843 -37.8842 -37.8842 -37.6026 -37.6026 -37.6013 -37.6013 -37.5905 -37.5905 -37.5893 -37.5893 4.1132 4.1132 4.1139 4.1139 4.7220 4.7220 4.7226 4.7226 11.4185 11.4185 11.4195 11.4195 k = 0.4596 0.3587 0.3079 ( 2450 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8843 -37.8843 -37.8842 -37.8842 -37.6026 -37.6026 -37.6012 -37.6012 -37.5907 -37.5907 -37.5893 -37.5893 4.1330 4.1330 4.1338 4.1338 4.7431 4.7431 4.7439 4.7439 11.1898 11.1898 11.1909 11.1909 k = 0.4545 0.3674 0.3079 ( 2446 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8843 -37.8843 -37.8842 -37.8842 -37.6027 -37.6027 -37.6011 -37.6011 -37.5908 -37.5908 -37.5893 -37.5893 4.1556 4.1556 4.1565 4.1565 4.7671 4.7671 4.7680 4.7680 10.9616 10.9616 10.9626 10.9626 k = 0.4495 0.3762 0.3079 ( 2438 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8843 -37.8843 -37.8842 -37.8842 -37.6027 -37.6027 -37.6010 -37.6010 -37.5910 -37.5910 -37.5893 -37.5893 4.1807 4.1807 4.1817 4.1817 4.7939 4.7939 4.7949 4.7949 10.7343 10.7343 10.7353 10.7353 k = 0.4444 0.3849 0.3079 ( 2438 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8844 -37.8844 -37.8843 -37.8843 -37.6028 -37.6028 -37.6009 -37.6009 -37.5912 -37.5912 -37.5894 -37.5894 4.2085 4.2085 4.2096 4.2096 4.8235 4.8235 4.8245 4.8245 10.5079 10.5079 10.5089 10.5089 k = 0.4394 0.3936 0.3079 ( 2438 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8844 -37.8844 -37.8843 -37.8843 -37.6029 -37.6029 -37.6007 -37.6007 -37.5914 -37.5914 -37.5894 -37.5894 4.2390 4.2390 4.2402 4.2402 4.8557 4.8557 4.8569 4.8569 10.2828 10.2828 10.2838 10.2838 k = 0.4343 0.4024 0.3079 ( 2438 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8844 -37.8844 -37.8843 -37.8843 -37.6029 -37.6029 -37.6006 -37.6006 -37.5916 -37.5916 -37.5894 -37.5894 4.2720 4.2720 4.2734 4.2734 4.8907 4.8907 4.8919 4.8919 10.0592 10.0592 10.0601 10.0601 k = 0.4293 0.4111 0.3079 ( 2438 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8845 -37.8845 -37.8843 -37.8843 -37.6030 -37.6030 -37.6005 -37.6005 -37.5918 -37.5918 -37.5895 -37.5895 4.3077 4.3077 4.3091 4.3091 4.9284 4.9284 4.9297 4.9297 9.8372 9.8372 9.8382 9.8382 k = 0.4242 0.4199 0.3079 ( 2438 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8845 -37.8845 -37.8844 -37.8844 -37.6030 -37.6030 -37.6004 -37.6004 -37.5920 -37.5920 -37.5895 -37.5895 4.3460 4.3460 4.3475 4.3475 4.9687 4.9687 4.9702 4.9702 9.6171 9.6171 9.6181 9.6181 k = 0.4192 0.4286 0.3079 ( 2444 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8846 -37.8846 -37.8844 -37.8844 -37.6031 -37.6031 -37.6003 -37.6003 -37.5923 -37.5923 -37.5896 -37.5896 4.3869 4.3869 4.3885 4.3885 5.0117 5.0117 5.0132 5.0132 9.3990 9.3990 9.4000 9.4000 k = 0.4141 0.4374 0.3079 ( 2440 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8846 -37.8846 -37.8845 -37.8845 -37.6031 -37.6031 -37.6001 -37.6001 -37.5925 -37.5925 -37.5896 -37.5896 4.4303 4.4303 4.4321 4.4321 5.0572 5.0572 5.0588 5.0588 9.1831 9.1831 9.1841 9.1841 k = 0.4091 0.4461 0.3079 ( 2440 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8846 -37.8846 -37.8845 -37.8845 -37.6032 -37.6032 -37.6000 -37.6000 -37.5927 -37.5927 -37.5896 -37.5896 4.4763 4.4763 4.4783 4.4783 5.1052 5.1052 5.1069 5.1069 8.9696 8.9696 8.9705 8.9705 k = 0.4040 0.4549 0.3079 ( 2440 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8847 -37.8847 -37.8845 -37.8845 -37.6032 -37.6032 -37.5999 -37.5999 -37.5929 -37.5929 -37.5897 -37.5897 4.5249 4.5249 4.5269 4.5269 5.1555 5.1555 5.1574 5.1574 8.7585 8.7585 8.7595 8.7595 k = 0.3990 0.4636 0.3079 ( 2448 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8848 -37.8848 -37.8846 -37.8846 -37.6033 -37.6033 -37.5998 -37.5998 -37.5931 -37.5931 -37.5898 -37.5898 4.5759 4.5759 4.5781 4.5781 5.2082 5.2082 5.2102 5.2102 8.5502 8.5502 8.5511 8.5511 k = 0.3939 0.4724 0.3079 ( 2444 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8848 -37.8848 -37.8846 -37.8846 -37.6034 -37.6034 -37.5997 -37.5997 -37.5933 -37.5933 -37.5898 -37.5898 4.6294 4.6294 4.6318 4.6318 5.2630 5.2630 5.2652 5.2652 8.3449 8.3449 8.3458 8.3458 k = 0.3889 0.4811 0.3079 ( 2440 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8848 -37.8848 -37.8846 -37.8846 -37.6034 -37.6034 -37.5995 -37.5995 -37.5935 -37.5935 -37.5898 -37.5898 4.6852 4.6852 4.6878 4.6878 5.3198 5.3198 5.3222 5.3222 8.1428 8.1428 8.1438 8.1438 k = 0.3838 0.4899 0.3079 ( 2444 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8847 -37.8847 -37.6035 -37.6035 -37.5994 -37.5994 -37.5937 -37.5937 -37.5899 -37.5899 4.7434 4.7434 4.7462 4.7462 5.3783 5.3783 5.3808 5.3808 7.9443 7.9443 7.9453 7.9453 k = 0.3788 0.4986 0.3079 ( 2444 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8847 -37.8847 -37.6035 -37.6035 -37.5993 -37.5993 -37.5939 -37.5939 -37.5899 -37.5899 4.8039 4.8039 4.8068 4.8068 5.4381 5.4381 5.4408 5.4408 7.7500 7.7500 7.7509 7.7509 k = 0.3737 0.5074 0.3079 ( 2444 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8847 -37.8847 -37.6035 -37.6035 -37.5992 -37.5992 -37.5941 -37.5941 -37.5900 -37.5900 4.8663 4.8663 4.8695 4.8695 5.4987 5.4987 5.5017 5.5017 7.5605 7.5605 7.5614 7.5614 k = 0.3687 0.5161 0.3079 ( 2444 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6036 -37.6036 -37.5991 -37.5991 -37.5943 -37.5943 -37.5900 -37.5900 4.9305 4.9305 4.9340 4.9340 5.5594 5.5594 5.5626 5.5626 7.3769 7.3769 7.3778 7.3778 k = 0.3636 0.5249 0.3079 ( 2448 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6036 -37.6036 -37.5990 -37.5990 -37.5944 -37.5944 -37.5901 -37.5901 4.9961 4.9961 5.0000 5.0000 5.6189 5.6189 5.6225 5.6225 7.2007 7.2007 7.2016 7.2016 k = 0.3586 0.5336 0.3079 ( 2440 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6036 -37.6036 -37.5989 -37.5989 -37.5946 -37.5946 -37.5901 -37.5901 5.0626 5.0626 5.0668 5.0668 5.6754 5.6754 5.6794 5.6794 7.0345 7.0345 7.0353 7.0353 k = 0.3535 0.5424 0.3079 ( 2436 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6036 -37.6036 -37.5989 -37.5989 -37.5947 -37.5947 -37.5901 -37.5901 5.1288 5.1288 5.1335 5.1335 5.7259 5.7259 5.7306 5.7306 6.8821 6.8821 6.8829 6.8829 k = 0.3485 0.5511 0.3079 ( 2436 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6037 -37.6037 -37.5988 -37.5988 -37.5947 -37.5947 -37.5901 -37.5901 5.1928 5.1928 5.1982 5.1982 5.7660 5.7660 5.7715 5.7715 6.7500 6.7500 6.7506 6.7506 k = 0.3434 0.5599 0.3079 ( 2430 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6037 -37.6037 -37.5988 -37.5988 -37.5948 -37.5948 -37.5901 -37.5901 5.2510 5.2510 5.2573 5.2573 5.7904 5.7904 5.7970 5.7970 6.6471 6.6471 6.6475 6.6475 k = 0.3384 0.5686 0.3079 ( 2418 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6037 -37.6037 -37.5987 -37.5987 -37.5948 -37.5948 -37.5901 -37.5901 5.2963 5.2963 5.3034 5.3034 5.7966 5.7966 5.8043 5.8043 6.5832 6.5832 6.5833 6.5833 k = 0.3333 0.5774 0.3079 ( 2412 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6037 -37.6037 -37.5987 -37.5987 -37.5948 -37.5948 -37.5900 -37.5900 5.3152 5.3152 5.3228 5.3228 5.7940 5.7940 5.8023 5.8023 6.5626 6.5626 6.5626 6.5626 k = 0.3333 0.5774 0.3079 ( 2412 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6037 -37.6037 -37.5987 -37.5987 -37.5948 -37.5948 -37.5900 -37.5900 5.3152 5.3152 5.3228 5.3228 5.7940 5.7940 5.8023 5.8023 6.5626 6.5626 6.5626 6.5626 k = 0.3282 0.5685 0.3079 ( 2418 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6037 -37.6037 -37.5987 -37.5987 -37.5948 -37.5948 -37.5901 -37.5901 5.2909 5.2909 5.2978 5.2978 5.8049 5.8049 5.8124 5.8124 6.5807 6.5807 6.5808 6.5808 k = 0.3231 0.5596 0.3079 ( 2424 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6037 -37.6037 -37.5988 -37.5988 -37.5948 -37.5948 -37.5901 -37.5901 5.2183 5.2183 5.2237 5.2237 5.8440 5.8440 5.8498 5.8498 6.6277 6.6277 6.6280 6.6280 k = 0.3179 0.5507 0.3079 ( 2440 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8849 -37.8849 -37.6037 -37.6037 -37.5988 -37.5988 -37.5948 -37.5948 -37.5901 -37.5901 5.1097 5.1097 5.1138 5.1138 5.9074 5.9074 5.9116 5.9116 6.6942 6.6942 6.6946 6.6946 k = 0.3128 0.5418 0.3079 ( 2440 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6036 -37.6036 -37.5988 -37.5988 -37.5947 -37.5947 -37.5901 -37.5901 4.9800 4.9800 4.9830 4.9830 5.9867 5.9867 5.9896 5.9896 6.7738 6.7738 6.7745 6.7745 k = 0.3077 0.5329 0.3079 ( 2440 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6036 -37.6036 -37.5989 -37.5989 -37.5946 -37.5946 -37.5901 -37.5901 4.8387 4.8387 4.8409 4.8409 6.0760 6.0760 6.0780 6.0780 6.8628 6.8628 6.8636 6.8636 k = 0.3026 0.5241 0.3079 ( 2448 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6036 -37.6036 -37.5989 -37.5989 -37.5945 -37.5945 -37.5901 -37.5901 4.6910 4.6910 4.6927 4.6927 6.1723 6.1723 6.1737 6.1737 6.9587 6.9587 6.9598 6.9598 k = 0.2974 0.5152 0.3079 ( 2444 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8847 -37.8847 -37.6035 -37.6035 -37.5990 -37.5990 -37.5944 -37.5944 -37.5900 -37.5900 4.5402 4.5402 4.5416 4.5416 6.2741 6.2741 6.2750 6.2750 7.0603 7.0603 7.0615 7.0615 k = 0.2923 0.5063 0.3079 ( 2446 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8847 -37.8847 -37.6034 -37.6034 -37.5990 -37.5990 -37.5942 -37.5942 -37.5900 -37.5900 4.3881 4.3881 4.3893 4.3893 6.3804 6.3804 6.3810 6.3810 7.1666 7.1666 7.1679 7.1679 k = 0.2872 0.4974 0.3079 ( 2446 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8848 -37.8848 -37.8846 -37.8846 -37.6034 -37.6034 -37.5990 -37.5990 -37.5941 -37.5941 -37.5899 -37.5899 4.2359 4.2359 4.2368 4.2368 6.4907 6.4907 6.4909 6.4909 7.2769 7.2769 7.2783 7.2783 k = 0.2821 0.4885 0.3079 ( 2442 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8847 -37.8847 -37.8846 -37.8846 -37.6032 -37.6032 -37.5990 -37.5990 -37.5939 -37.5939 -37.5899 -37.5899 4.0843 4.0843 4.0852 4.0852 6.6045 6.6045 6.6046 6.6046 7.3908 7.3908 7.3923 7.3923 k = 0.2769 0.4796 0.3079 ( 2450 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8847 -37.8847 -37.8845 -37.8845 -37.6032 -37.6032 -37.5990 -37.5990 -37.5938 -37.5938 -37.5898 -37.5898 3.9339 3.9339 3.9346 3.9346 6.7216 6.7216 6.7218 6.7218 7.5080 7.5080 7.5096 7.5096 k = 0.2718 0.4708 0.3079 ( 2458 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8846 -37.8846 -37.8844 -37.8844 -37.6031 -37.6031 -37.5990 -37.5990 -37.5937 -37.5937 -37.5898 -37.5898 3.7849 3.7849 3.7855 3.7855 6.8419 6.8419 6.8423 6.8423 7.6282 7.6282 7.6299 7.6299 k = 0.2667 0.4619 0.3079 ( 2452 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8845 -37.8845 -37.8843 -37.8843 -37.6029 -37.6029 -37.5990 -37.5990 -37.5935 -37.5935 -37.5897 -37.5897 3.6378 3.6378 3.6383 3.6383 6.9655 6.9655 6.9661 6.9661 7.7513 7.7513 7.7531 7.7531 k = 0.2615 0.4530 0.3079 ( 2456 PWs) bands (ev): -70.9425 -70.9425 -70.9425 -70.9425 -37.8844 -37.8844 -37.8842 -37.8842 -37.6028 -37.6028 -37.5990 -37.5990 -37.5933 -37.5933 -37.5897 -37.5897 3.4927 3.4927 3.4931 3.4931 7.0921 7.0921 7.0929 7.0929 7.8771 7.8771 7.8790 7.8790 k = 0.2564 0.4441 0.3079 ( 2452 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8843 -37.8843 -37.8841 -37.8841 -37.6026 -37.6026 -37.5989 -37.5989 -37.5931 -37.5931 -37.5896 -37.5896 3.3497 3.3497 3.3501 3.3501 7.2219 7.2219 7.2227 7.2227 8.0054 8.0054 8.0074 8.0074 k = 0.2513 0.4352 0.3079 ( 2456 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8842 -37.8842 -37.8840 -37.8840 -37.6025 -37.6025 -37.5988 -37.5988 -37.5930 -37.5930 -37.5895 -37.5895 3.2089 3.2089 3.2092 3.2092 7.3546 7.3546 7.3556 7.3556 8.1360 8.1360 8.1381 8.1381 k = 0.2462 0.4264 0.3079 ( 2456 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8841 -37.8841 -37.8839 -37.8839 -37.6023 -37.6023 -37.5988 -37.5988 -37.5928 -37.5928 -37.5895 -37.5895 3.0704 3.0704 3.0707 3.0707 7.4903 7.4903 7.4914 7.4914 8.2689 8.2689 8.2710 8.2710 k = 0.2410 0.4175 0.3079 ( 2460 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8839 -37.8839 -37.8838 -37.8838 -37.6021 -37.6021 -37.5987 -37.5987 -37.5926 -37.5926 -37.5894 -37.5894 2.9344 2.9344 2.9347 2.9347 7.6290 7.6290 7.6301 7.6301 8.4039 8.4039 8.4061 8.4061 k = 0.2359 0.4086 0.3079 ( 2464 PWs) bands (ev): -70.9427 -70.9427 -70.9427 -70.9427 -37.8838 -37.8838 -37.8837 -37.8837 -37.6019 -37.6019 -37.5986 -37.5986 -37.5925 -37.5925 -37.5893 -37.5893 2.8008 2.8008 2.8011 2.8011 7.7705 7.7705 7.7718 7.7718 8.5407 8.5407 8.5430 8.5430 k = 0.2308 0.3997 0.3079 ( 2464 PWs) bands (ev): -70.9427 -70.9427 -70.9427 -70.9427 -37.8836 -37.8836 -37.8835 -37.8835 -37.6016 -37.6016 -37.5985 -37.5985 -37.5923 -37.5923 -37.5893 -37.5893 2.6698 2.6698 2.6700 2.6700 7.9150 7.9150 7.9164 7.9164 8.6793 8.6793 8.6816 8.6816 k = 0.2256 0.3908 0.3079 ( 2460 PWs) bands (ev): -70.9427 -70.9427 -70.9427 -70.9427 -37.8835 -37.8835 -37.8833 -37.8833 -37.6014 -37.6014 -37.5983 -37.5983 -37.5921 -37.5921 -37.5892 -37.5892 2.5413 2.5413 2.5415 2.5415 8.0625 8.0625 8.0639 8.0639 8.8194 8.8194 8.8218 8.8218 k = 0.2205 0.3819 0.3079 ( 2464 PWs) bands (ev): -70.9428 -70.9428 -70.9428 -70.9428 -37.8833 -37.8833 -37.8832 -37.8832 -37.6012 -37.6012 -37.5982 -37.5982 -37.5919 -37.5919 -37.5891 -37.5891 2.4155 2.4155 2.4157 2.4157 8.2128 8.2128 8.2143 8.2143 8.9607 8.9607 8.9631 8.9631 k = 0.2154 0.3731 0.3079 ( 2464 PWs) bands (ev): -70.9428 -70.9428 -70.9428 -70.9428 -37.8831 -37.8831 -37.8830 -37.8830 -37.6009 -37.6009 -37.5981 -37.5981 -37.5917 -37.5917 -37.5890 -37.5890 2.2923 2.2923 2.2924 2.2924 8.3659 8.3659 8.3675 8.3675 9.1029 9.1029 9.1054 9.1054 k = 0.2103 0.3642 0.3079 ( 2464 PWs) bands (ev): -70.9428 -70.9428 -70.9428 -70.9428 -37.8830 -37.8830 -37.8829 -37.8829 -37.6006 -37.6006 -37.5979 -37.5979 -37.5915 -37.5915 -37.5889 -37.5889 2.1717 2.1717 2.1719 2.1719 8.5220 8.5220 8.5236 8.5236 9.2458 9.2458 9.2483 9.2483 k = 0.2051 0.3553 0.3079 ( 2464 PWs) bands (ev): -70.9429 -70.9429 -70.9429 -70.9429 -37.8828 -37.8828 -37.8827 -37.8827 -37.6004 -37.6004 -37.5977 -37.5977 -37.5914 -37.5914 -37.5888 -37.5888 2.0539 2.0539 2.0540 2.0540 8.6809 8.6809 8.6826 8.6826 9.3887 9.3887 9.3912 9.3912 k = 0.2000 0.3464 0.3079 ( 2460 PWs) bands (ev): -70.9429 -70.9429 -70.9429 -70.9429 -37.8826 -37.8826 -37.8825 -37.8825 -37.6001 -37.6001 -37.5975 -37.5975 -37.5912 -37.5912 -37.5887 -37.5887 1.9387 1.9387 1.9388 1.9388 8.8426 8.8426 8.8444 8.8444 9.5311 9.5311 9.5337 9.5337 k = 0.1949 0.3375 0.3079 ( 2468 PWs) bands (ev): -70.9430 -70.9430 -70.9430 -70.9430 -37.8824 -37.8824 -37.8823 -37.8823 -37.5998 -37.5998 -37.5974 -37.5974 -37.5910 -37.5910 -37.5887 -37.5887 1.8263 1.8263 1.8264 1.8264 9.0072 9.0072 9.0090 9.0090 9.6722 9.6722 9.6749 9.6749 k = 0.1897 0.3286 0.3079 ( 2466 PWs) bands (ev): -70.9430 -70.9430 -70.9430 -70.9430 -37.8822 -37.8822 -37.8821 -37.8821 -37.5995 -37.5995 -37.5972 -37.5972 -37.5908 -37.5908 -37.5886 -37.5886 1.7166 1.7166 1.7167 1.7167 9.1746 9.1746 9.1765 9.1765 9.8112 9.8112 9.8139 9.8139 k = 0.1846 0.3198 0.3079 ( 2462 PWs) bands (ev): -70.9430 -70.9430 -70.9430 -70.9430 -37.8820 -37.8820 -37.8819 -37.8819 -37.5991 -37.5991 -37.5970 -37.5970 -37.5906 -37.5906 -37.5885 -37.5885 1.6098 1.6098 1.6099 1.6099 9.3448 9.3448 9.3468 9.3468 9.9467 9.9467 9.9494 9.9494 k = 0.1795 0.3109 0.3079 ( 2462 PWs) bands (ev): -70.9431 -70.9431 -70.9431 -70.9431 -37.8818 -37.8818 -37.8817 -37.8817 -37.5988 -37.5988 -37.5967 -37.5967 -37.5904 -37.5904 -37.5884 -37.5884 1.5057 1.5057 1.5057 1.5057 9.5178 9.5178 9.5199 9.5199 10.0770 10.0770 10.0798 10.0798 k = 0.1744 0.3020 0.3079 ( 2462 PWs) bands (ev): -70.9431 -70.9431 -70.9431 -70.9431 -37.8816 -37.8816 -37.8815 -37.8815 -37.5985 -37.5985 -37.5965 -37.5965 -37.5902 -37.5902 -37.5883 -37.5883 1.4044 1.4044 1.4044 1.4044 9.6935 9.6935 9.6958 9.6958 10.2001 10.2001 10.2029 10.2029 k = 0.1692 0.2931 0.3079 ( 2462 PWs) bands (ev): -70.9432 -70.9432 -70.9432 -70.9432 -37.8814 -37.8814 -37.8813 -37.8813 -37.5982 -37.5982 -37.5963 -37.5963 -37.5900 -37.5900 -37.5882 -37.5882 1.3059 1.3059 1.3059 1.3059 9.8720 9.8720 9.8744 9.8744 10.3135 10.3135 10.3163 10.3163 k = 0.1641 0.2842 0.3079 ( 2462 PWs) bands (ev): -70.9432 -70.9432 -70.9432 -70.9432 -37.8811 -37.8811 -37.8811 -37.8811 -37.5978 -37.5978 -37.5961 -37.5961 -37.5898 -37.5898 -37.5881 -37.5881 1.2102 1.2102 1.2103 1.2103 10.0530 10.0530 10.0556 10.0556 10.4142 10.4142 10.4170 10.4170 k = 0.1590 0.2754 0.3079 ( 2466 PWs) bands (ev): -70.9432 -70.9432 -70.9432 -70.9432 -37.8809 -37.8809 -37.8809 -37.8809 -37.5975 -37.5975 -37.5959 -37.5959 -37.5896 -37.5896 -37.5880 -37.5880 1.1174 1.1174 1.1174 1.1174 10.2364 10.2364 10.2393 10.2393 10.4995 10.4995 10.5025 10.5025 k = 0.1538 0.2665 0.3079 ( 2464 PWs) bands (ev): -70.9433 -70.9433 -70.9433 -70.9433 -37.8807 -37.8807 -37.8807 -37.8807 -37.5972 -37.5972 -37.5956 -37.5956 -37.5894 -37.5894 -37.5879 -37.5879 1.0274 1.0274 1.0274 1.0274 10.4204 10.4204 10.4244 10.4244 10.5680 10.5680 10.5718 10.5718 k = 0.1487 0.2576 0.3079 ( 2472 PWs) bands (ev): -70.9433 -70.9433 -70.9433 -70.9433 -37.8805 -37.8805 -37.8805 -37.8805 -37.5969 -37.5969 -37.5955 -37.5955 -37.5892 -37.5892 -37.5878 -37.5878 0.9403 0.9403 0.9403 0.9403 10.5830 10.5830 10.5889 10.5889 10.6404 10.6404 10.6458 10.6458 k = 0.1436 0.2487 0.3079 ( 2488 PWs) bands (ev): -70.9434 -70.9434 -70.9434 -70.9434 -37.8803 -37.8803 -37.8803 -37.8803 -37.5966 -37.5966 -37.5953 -37.5953 -37.5890 -37.5890 -37.5877 -37.5877 0.8560 0.8560 0.8560 0.8560 10.6337 10.6337 10.6344 10.6344 10.8152 10.8152 10.8152 10.8152 k = 0.1385 0.2398 0.3079 ( 2480 PWs) bands (ev): -70.9434 -70.9434 -70.9434 -70.9434 -37.8801 -37.8801 -37.8801 -37.8801 -37.5963 -37.5963 -37.5950 -37.5950 -37.5888 -37.5888 -37.5876 -37.5876 0.7746 0.7746 0.7746 0.7746 10.6472 10.6472 10.6472 10.6472 11.0078 11.0078 11.0088 11.0088 k = 0.1333 0.2309 0.3079 ( 2480 PWs) bands (ev): -70.9435 -70.9435 -70.9435 -70.9435 -37.8799 -37.8799 -37.8798 -37.8798 -37.5960 -37.5960 -37.5948 -37.5948 -37.5885 -37.5885 -37.5875 -37.5875 0.6961 0.6961 0.6961 0.6961 10.6444 10.6444 10.6446 10.6446 11.2049 11.2049 11.2064 11.2064 k = 0.1282 0.2221 0.3079 ( 2484 PWs) bands (ev): -70.9435 -70.9435 -70.9435 -70.9435 -37.8797 -37.8797 -37.8796 -37.8796 -37.5957 -37.5957 -37.5946 -37.5946 -37.5883 -37.5883 -37.5873 -37.5873 0.6205 0.6205 0.6205 0.6205 10.6301 10.6301 10.6304 10.6304 11.4052 11.4052 11.4069 11.4069 k = 0.1231 0.2132 0.3079 ( 2486 PWs) bands (ev): -70.9436 -70.9436 -70.9436 -70.9436 -37.8795 -37.8795 -37.8794 -37.8794 -37.5954 -37.5954 -37.5944 -37.5944 -37.5881 -37.5881 -37.5872 -37.5872 0.5478 0.5478 0.5478 0.5478 10.6076 10.6076 10.6078 10.6078 11.6085 11.6085 11.6103 11.6103 k = 0.1179 0.2043 0.3079 ( 2482 PWs) bands (ev): -70.9436 -70.9436 -70.9436 -70.9436 -37.8792 -37.8792 -37.8792 -37.8792 -37.5951 -37.5951 -37.5942 -37.5942 -37.5879 -37.5879 -37.5871 -37.5871 0.4780 0.4780 0.4780 0.4780 10.5791 10.5791 10.5793 10.5793 11.8145 11.8145 11.8164 11.8164 k = 0.1128 0.1954 0.3079 ( 2482 PWs) bands (ev): -70.9436 -70.9436 -70.9436 -70.9436 -37.8790 -37.8790 -37.8790 -37.8790 -37.5948 -37.5948 -37.5940 -37.5940 -37.5876 -37.5876 -37.5869 -37.5869 0.4112 0.4112 0.4112 0.4112 10.5465 10.5465 10.5467 10.5467 12.0232 12.0232 12.0252 12.0252 k = 0.1077 0.1865 0.3079 ( 2486 PWs) bands (ev): -70.9437 -70.9437 -70.9437 -70.9437 -37.8789 -37.8789 -37.8788 -37.8788 -37.5945 -37.5945 -37.5939 -37.5939 -37.5874 -37.5874 -37.5868 -37.5868 0.3472 0.3472 0.3472 0.3472 10.5114 10.5114 10.5115 10.5115 12.2344 12.2344 12.2365 12.2365 k = 0.1026 0.1776 0.3079 ( 2486 PWs) bands (ev): -70.9437 -70.9437 -70.9437 -70.9437 -37.8787 -37.8787 -37.8786 -37.8786 -37.5943 -37.5943 -37.5937 -37.5937 -37.5872 -37.5872 -37.5866 -37.5866 0.2862 0.2862 0.2862 0.2862 10.4748 10.4748 10.4749 10.4749 12.4482 12.4482 12.4504 12.4504 k = 0.0974 0.1688 0.3079 ( 2486 PWs) bands (ev): -70.9438 -70.9438 -70.9438 -70.9438 -37.8785 -37.8785 -37.8785 -37.8785 -37.5941 -37.5941 -37.5936 -37.5936 -37.5870 -37.5870 -37.5865 -37.5865 0.2281 0.2281 0.2281 0.2281 10.4376 10.4376 10.4377 10.4377 12.6645 12.6645 12.6668 12.6668 k = 0.0923 0.1599 0.3079 ( 2486 PWs) bands (ev): -70.9438 -70.9438 -70.9438 -70.9438 -37.8783 -37.8783 -37.8783 -37.8783 -37.5938 -37.5938 -37.5934 -37.5934 -37.5867 -37.5867 -37.5863 -37.5863 0.1730 0.1730 0.1730 0.1730 10.4006 10.4006 10.4006 10.4006 12.8833 12.8833 12.8856 12.8856 k = 0.0872 0.1510 0.3079 ( 2486 PWs) bands (ev): -70.9438 -70.9438 -70.9438 -70.9438 -37.8781 -37.8781 -37.8781 -37.8781 -37.5936 -37.5936 -37.5933 -37.5933 -37.5865 -37.5865 -37.5862 -37.5862 0.1208 0.1208 0.1208 0.1208 10.3641 10.3641 10.3642 10.3642 13.1044 13.1044 13.1068 13.1068 k = 0.0821 0.1421 0.3079 ( 2482 PWs) bands (ev): -70.9439 -70.9439 -70.9439 -70.9439 -37.8779 -37.8779 -37.8779 -37.8779 -37.5934 -37.5934 -37.5931 -37.5931 -37.5863 -37.5863 -37.5860 -37.5860 0.0716 0.0716 0.0716 0.0716 10.3286 10.3286 10.3286 10.3286 13.3277 13.3277 13.3302 13.3302 k = 0.0769 0.1332 0.3079 ( 2478 PWs) bands (ev): -70.9439 -70.9439 -70.9439 -70.9439 -37.8778 -37.8778 -37.8778 -37.8778 -37.5932 -37.5932 -37.5930 -37.5930 -37.5861 -37.5861 -37.5858 -37.5858 0.0253 0.0253 0.0253 0.0253 10.2944 10.2944 10.2944 10.2944 13.5532 13.5532 13.5557 13.5557 k = 0.0718 0.1244 0.3079 ( 2478 PWs) bands (ev): -70.9439 -70.9439 -70.9439 -70.9439 -37.8776 -37.8776 -37.8776 -37.8776 -37.5931 -37.5931 -37.5929 -37.5929 -37.5859 -37.5859 -37.5857 -37.5857 -0.0180 -0.0180 -0.0180 -0.0180 10.2617 10.2617 10.2617 10.2617 13.7805 13.7805 13.7831 13.7831 k = 0.0667 0.1155 0.3079 ( 2474 PWs) bands (ev): -70.9439 -70.9439 -70.9439 -70.9439 -37.8775 -37.8775 -37.8774 -37.8774 -37.5929 -37.5929 -37.5928 -37.5928 -37.5857 -37.5857 -37.5855 -37.5855 -0.0584 -0.0584 -0.0584 -0.0584 10.2307 10.2307 10.2307 10.2307 14.0097 14.0097 14.0124 14.0124 k = 0.0615 0.1066 0.3079 ( 2472 PWs) bands (ev): -70.9440 -70.9440 -70.9440 -70.9440 -37.8773 -37.8773 -37.8773 -37.8773 -37.5928 -37.5928 -37.5926 -37.5926 -37.5855 -37.5855 -37.5854 -37.5854 -0.0957 -0.0957 -0.0957 -0.0957 10.2016 10.2016 10.2016 10.2016 14.2404 14.2404 14.2432 14.2432 k = 0.0564 0.0977 0.3079 ( 2472 PWs) bands (ev): -70.9440 -70.9440 -70.9440 -70.9440 -37.8772 -37.8772 -37.8772 -37.8772 -37.5927 -37.5927 -37.5926 -37.5926 -37.5853 -37.5853 -37.5852 -37.5852 -0.1301 -0.1301 -0.1301 -0.1301 10.1745 10.1745 10.1745 10.1745 14.4722 14.4722 14.4751 14.4751 k = 0.0513 0.0888 0.3079 ( 2476 PWs) bands (ev): -70.9440 -70.9440 -70.9440 -70.9440 -37.8771 -37.8771 -37.8771 -37.8771 -37.5926 -37.5926 -37.5925 -37.5925 -37.5852 -37.5852 -37.5851 -37.5851 -0.1615 -0.1615 -0.1615 -0.1615 10.1495 10.1495 10.1495 10.1495 14.7049 14.7049 14.7078 14.7078 k = 0.0462 0.0799 0.3079 ( 2476 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8770 -37.8770 -37.8770 -37.8770 -37.5925 -37.5925 -37.5924 -37.5924 -37.5850 -37.5850 -37.5850 -37.5850 -0.1900 -0.1900 -0.1900 -0.1900 10.1267 10.1267 10.1267 10.1267 14.9377 14.9377 14.9408 14.9408 k = 0.0410 0.0711 0.3079 ( 2472 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8769 -37.8769 -37.8769 -37.8769 -37.5924 -37.5924 -37.5923 -37.5923 -37.5849 -37.5849 -37.5848 -37.5848 -0.2154 -0.2154 -0.2154 -0.2154 10.1061 10.1061 10.1061 10.1061 15.1700 15.1700 15.1731 15.1731 k = 0.0359 0.0622 0.3079 ( 2472 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8768 -37.8768 -37.8768 -37.8768 -37.5923 -37.5923 -37.5923 -37.5923 -37.5847 -37.5847 -37.5847 -37.5847 -0.2379 -0.2379 -0.2379 -0.2379 10.0878 10.0878 10.0878 10.0878 15.4005 15.4005 15.4037 15.4037 k = 0.0308 0.0533 0.3079 ( 2472 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8767 -37.8767 -37.8767 -37.8767 -37.5922 -37.5922 -37.5922 -37.5922 -37.5846 -37.5846 -37.5846 -37.5846 -0.2574 -0.2574 -0.2574 -0.2574 10.0719 10.0719 10.0719 10.0719 15.6276 15.6276 15.6309 15.6309 k = 0.0256 0.0444 0.3079 ( 2472 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8766 -37.8766 -37.8766 -37.8766 -37.5922 -37.5922 -37.5922 -37.5922 -37.5845 -37.5845 -37.5845 -37.5845 -0.2739 -0.2739 -0.2739 -0.2738 10.0584 10.0584 10.0584 10.0584 15.8485 15.8485 15.8519 15.8519 k = 0.0205 0.0355 0.3079 ( 2476 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8766 -37.8766 -37.8766 -37.8766 -37.5922 -37.5922 -37.5922 -37.5922 -37.5845 -37.5845 -37.5845 -37.5845 -0.2873 -0.2873 -0.2873 -0.2873 10.0473 10.0473 10.0473 10.0473 16.0593 16.0593 16.0626 16.0626 k = 0.0154 0.0266 0.3079 ( 2480 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8766 -37.8766 -37.8766 -37.8766 -37.5922 -37.5922 -37.5922 -37.5922 -37.5844 -37.5844 -37.5844 -37.5844 -0.2978 -0.2978 -0.2978 -0.2978 10.0386 10.0386 10.0386 10.0386 16.2529 16.2529 16.2561 16.2561 k = 0.0103 0.0178 0.3079 ( 2480 PWs) bands (ev): -70.9441 -70.9441 -70.9441 -70.9441 -37.8765 -37.8765 -37.8765 -37.8765 -37.5921 -37.5921 -37.5921 -37.5921 -37.5844 -37.5844 -37.5844 -37.5844 -0.3053 -0.3053 -0.3053 -0.3053 10.0324 10.0324 10.0324 10.0324 16.4175 16.4176 16.4202 16.4202 k = 0.0051 0.0089 0.3079 ( 2484 PWs) bands (ev): -70.9442 -70.9442 -70.9442 -70.9442 -37.8765 -37.8765 -37.8765 -37.8765 -37.5921 -37.5921 -37.5921 -37.5921 -37.5844 -37.5844 -37.5844 -37.5844 -0.3098 -0.3098 -0.3098 -0.3098 10.0287 10.0287 10.0287 10.0287 16.5339 16.5339 16.5355 16.5355 k = 0.0000 0.0000 0.3079 ( 2484 PWs) bands (ev): -70.9442 -70.9442 -70.9442 -70.9442 -37.8765 -37.8765 -37.8765 -37.8765 -37.5921 -37.5921 -37.5921 -37.5921 -37.5844 -37.5844 -37.5844 -37.5844 -0.3113 -0.3113 -0.3113 -0.3113 10.0275 10.0275 10.0275 10.0275 16.5768 16.5768 16.5768 16.5780 k = 0.5000 0.2887 0.3079 ( 2456 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8842 -37.8842 -37.8842 -37.8842 -37.6020 -37.6020 -37.6020 -37.6020 -37.5897 -37.5897 -37.5897 -37.5897 4.0484 4.0484 4.0484 4.0484 4.6527 4.6527 4.6527 4.6527 12.9617 12.9617 12.9617 12.9617 k = 0.5000 0.2887 0.2976 ( 2448 PWs) bands (ev): -70.9426 -70.9426 -70.9426 -70.9426 -37.8842 -37.8842 -37.8840 -37.8840 -37.6020 -37.6020 -37.6020 -37.6020 -37.5898 -37.5898 -37.5895 -37.5895 4.0370 4.0370 4.0384 4.0384 4.6643 4.6643 4.6681 4.6681 12.8859 12.8859 12.9366 12.9366 k = 0.5000 0.2887 0.2874 ( 2444 PWs) bands (ev): -70.9426 -70.9426 -70.9425 -70.9425 -37.8843 -37.8843 -37.8839 -37.8839 -37.6020 -37.6020 -37.6019 -37.6019 -37.5900 -37.5900 -37.5893 -37.5893 4.0069 4.0069 4.0092 4.0092 4.7007 4.7007 4.7078 4.7078 12.8125 12.8125 12.8373 12.8373 k = 0.5000 0.2887 0.2771 ( 2448 PWs) bands (ev): -70.9426 -70.9426 -70.9425 -70.9425 -37.8844 -37.8844 -37.8839 -37.8839 -37.6021 -37.6021 -37.6019 -37.6019 -37.5902 -37.5902 -37.5892 -37.5892 3.9636 3.9636 3.9662 3.9662 4.7565 4.7565 4.7660 4.7660 12.7218 12.7218 12.7419 12.7419 k = 0.5000 0.2887 0.2668 ( 2448 PWs) bands (ev): -70.9427 -70.9427 -70.9425 -70.9425 -37.8845 -37.8845 -37.8838 -37.8838 -37.6021 -37.6021 -37.6019 -37.6019 -37.5904 -37.5904 -37.5890 -37.5890 3.9125 3.9125 3.9148 3.9148 4.8263 4.8263 4.8377 4.8377 12.5942 12.5942 12.6737 12.6737 k = 0.5000 0.2887 0.2566 ( 2452 PWs) bands (ev): -70.9427 -70.9427 -70.9425 -70.9425 -37.8846 -37.8846 -37.8837 -37.8837 -37.6021 -37.6021 -37.6018 -37.6018 -37.5906 -37.5906 -37.5889 -37.5889 3.8571 3.8571 3.8590 3.8590 4.9063 4.9063 4.9189 4.9189 12.4572 12.4572 12.6082 12.6082 k = 0.5000 0.2887 0.2463 ( 2448 PWs) bands (ev): -70.9427 -70.9427 -70.9425 -70.9425 -37.8847 -37.8847 -37.8836 -37.8836 -37.6021 -37.6021 -37.6017 -37.6017 -37.5908 -37.5908 -37.5888 -37.5888 3.7996 3.7996 3.8015 3.8015 4.9940 4.9940 5.0075 5.0075 12.3126 12.3126 12.5453 12.5453 k = 0.5000 0.2887 0.2360 ( 2454 PWs) bands (ev): -70.9427 -70.9427 -70.9425 -70.9425 -37.8848 -37.8848 -37.8835 -37.8835 -37.6021 -37.6021 -37.6017 -37.6017 -37.5911 -37.5911 -37.5886 -37.5886 3.7414 3.7414 3.7439 3.7439 5.0876 5.0876 5.1017 5.1017 12.1618 12.1618 12.4847 12.4847 k = 0.5000 0.2887 0.2258 ( 2450 PWs) bands (ev): -70.9427 -70.9427 -70.9424 -70.9424 -37.8849 -37.8849 -37.8834 -37.8834 -37.6020 -37.6020 -37.6016 -37.6016 -37.5913 -37.5913 -37.5885 -37.5885 3.6836 3.6836 3.6871 3.6871 5.1864 5.1864 5.2007 5.2007 12.0058 12.0058 12.3563 12.3563 k = 0.5000 0.2887 0.2155 ( 2450 PWs) bands (ev): -70.9428 -70.9428 -70.9424 -70.9424 -37.8850 -37.8850 -37.8833 -37.8833 -37.6020 -37.6020 -37.6015 -37.6015 -37.5915 -37.5915 -37.5884 -37.5884 3.6270 3.6270 3.6317 3.6317 5.2897 5.2897 5.3038 5.3038 11.8455 11.8455 12.1692 12.1692 k = 0.5000 0.2887 0.2053 ( 2446 PWs) bands (ev): -70.9428 -70.9428 -70.9424 -70.9424 -37.8850 -37.8850 -37.8832 -37.8832 -37.6020 -37.6020 -37.6015 -37.6015 -37.5917 -37.5917 -37.5883 -37.5883 3.5719 3.5719 3.5780 3.5780 5.3969 5.3969 5.4105 5.4105 11.6817 11.6817 11.9763 11.9763 k = 0.5000 0.2887 0.1950 ( 2442 PWs) bands (ev): -70.9428 -70.9428 -70.9424 -70.9424 -37.8851 -37.8851 -37.8831 -37.8831 -37.6019 -37.6019 -37.6014 -37.6014 -37.5919 -37.5919 -37.5882 -37.5882 3.5189 3.5189 3.5264 3.5264 5.5078 5.5078 5.5206 5.5206 11.5151 11.5151 11.7797 11.7797 k = 0.5000 0.2887 0.1847 ( 2442 PWs) bands (ev): -70.9428 -70.9428 -70.9424 -70.9424 -37.8852 -37.8852 -37.8830 -37.8830 -37.6018 -37.6018 -37.6013 -37.6013 -37.5922 -37.5922 -37.5881 -37.5881 3.4679 3.4679 3.4768 3.4768 5.6222 5.6222 5.6338 5.6338 11.3462 11.3462 11.5810 11.5810 k = 0.5000 0.2887 0.1745 ( 2438 PWs) bands (ev): -70.9428 -70.9428 -70.9423 -70.9423 -37.8852 -37.8852 -37.8829 -37.8829 -37.6018 -37.6018 -37.6012 -37.6012 -37.5924 -37.5924 -37.5880 -37.5880 3.4194 3.4194 3.4296 3.4296 5.7399 5.7399 5.7499 5.7499 11.1757 11.1757 11.3813 11.3813 k = 0.5000 0.2887 0.1642 ( 2436 PWs) bands (ev): -70.9428 -70.9428 -70.9423 -70.9423 -37.8853 -37.8853 -37.8828 -37.8828 -37.6017 -37.6017 -37.6011 -37.6011 -37.5926 -37.5926 -37.5879 -37.5879 3.3732 3.3732 3.3848 3.3848 5.8608 5.8608 5.8688 5.8688 11.0039 11.0039 11.1813 11.1813 k = 0.5000 0.2887 0.1539 ( 2436 PWs) bands (ev): -70.9429 -70.9429 -70.9423 -70.9423 -37.8854 -37.8854 -37.8828 -37.8828 -37.6016 -37.6016 -37.6010 -37.6010 -37.5928 -37.5928 -37.5879 -37.5879 3.3296 3.3296 3.3426 3.3426 5.9847 5.9847 5.9903 5.9903 10.8315 10.8315 10.9818 10.9818 k = 0.5000 0.2887 0.1437 ( 2442 PWs) bands (ev): -70.9429 -70.9429 -70.9423 -70.9423 -37.8855 -37.8855 -37.8827 -37.8827 -37.6016 -37.6016 -37.6010 -37.6010 -37.5931 -37.5931 -37.5878 -37.5878 3.2886 3.2886 3.3028 3.3028 6.1109 6.1109 6.1148 6.1148 10.6587 10.6587 10.7830 10.7830 k = 0.5000 0.2887 0.1334 ( 2442 PWs) bands (ev): -70.9429 -70.9429 -70.9423 -70.9423 -37.8855 -37.8855 -37.8826 -37.8826 -37.6015 -37.6015 -37.6009 -37.6009 -37.5933 -37.5933 -37.5877 -37.5877 3.2503 3.2503 3.2657 3.2657 6.2383 6.2383 6.2435 6.2435 10.4862 10.4862 10.5855 10.5855 k = 0.5000 0.2887 0.1232 ( 2456 PWs) bands (ev): -70.9429 -70.9429 -70.9423 -70.9423 -37.8856 -37.8856 -37.8826 -37.8826 -37.6015 -37.6015 -37.6008 -37.6008 -37.5935 -37.5935 -37.5878 -37.5878 3.2147 3.2147 3.2312 3.2312 6.3666 6.3666 6.3762 6.3762 10.3142 10.3142 10.3894 10.3894 k = 0.5000 0.2887 0.1129 ( 2452 PWs) bands (ev): -70.9429 -70.9429 -70.9423 -70.9423 -37.8856 -37.8856 -37.8826 -37.8826 -37.6014 -37.6014 -37.6008 -37.6008 -37.5937 -37.5937 -37.5877 -37.5877 3.1818 3.1818 3.1994 3.1994 6.4966 6.4966 6.5120 6.5120 10.1433 10.1433 10.1950 10.1950 k = 0.5000 0.2887 0.1026 ( 2448 PWs) bands (ev): -70.9429 -70.9429 -70.9422 -70.9422 -37.8856 -37.8856 -37.8825 -37.8825 -37.6013 -37.6013 -37.6007 -37.6007 -37.5939 -37.5939 -37.5877 -37.5877 3.1518 3.1518 3.1703 3.1703 6.6280 6.6280 6.6508 6.6508 9.9739 9.9739 10.0026 10.0026 k = 0.5000 0.2887 0.0924 ( 2448 PWs) bands (ev): -70.9429 -70.9429 -70.9422 -70.9422 -37.8857 -37.8857 -37.8825 -37.8825 -37.6012 -37.6012 -37.6006 -37.6006 -37.5941 -37.5941 -37.5876 -37.5876 3.1245 3.1245 3.1440 3.1440 6.7605 6.7605 6.7925 6.7925 9.8062 9.8062 9.8124 9.8124 k = 0.5000 0.2887 0.0821 ( 2444 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8857 -37.8857 -37.8824 -37.8824 -37.6011 -37.6011 -37.6005 -37.6005 -37.5943 -37.5943 -37.5876 -37.5876 3.1001 3.1001 3.1204 3.1204 6.8938 6.8938 6.9369 6.9369 9.6238 9.6238 9.6419 9.6419 k = 0.5000 0.2887 0.0718 ( 2436 PWs) bands (ev): -70.9429 -70.9429 -70.9422 -70.9422 -37.8857 -37.8857 -37.8823 -37.8823 -37.6010 -37.6010 -37.6004 -37.6004 -37.5944 -37.5944 -37.5875 -37.5875 3.0785 3.0785 3.0995 3.0995 7.0270 7.0270 7.0841 7.0841 9.4379 9.4379 9.4805 9.4805 k = 0.5000 0.2887 0.0616 ( 2442 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8858 -37.8858 -37.8823 -37.8823 -37.6010 -37.6010 -37.6004 -37.6004 -37.5946 -37.5946 -37.5875 -37.5875 3.0597 3.0597 3.0814 3.0814 7.1591 7.1591 7.2339 7.2339 9.2543 9.2543 9.3238 9.3238 k = 0.5000 0.2887 0.0513 ( 2448 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8858 -37.8858 -37.8823 -37.8823 -37.6010 -37.6010 -37.6003 -37.6003 -37.5948 -37.5948 -37.5875 -37.5875 3.0438 3.0438 3.0661 3.0661 7.2885 7.2885 7.3862 7.3862 9.0733 9.0733 9.1734 9.1734 k = 0.5000 0.2887 0.0411 ( 2448 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8858 -37.8858 -37.8823 -37.8823 -37.6009 -37.6009 -37.6003 -37.6003 -37.5949 -37.5949 -37.5875 -37.5875 3.0308 3.0308 3.0536 3.0536 7.4126 7.4126 7.5410 7.5410 8.8950 8.8950 9.0321 9.0321 k = 0.5000 0.2887 0.0308 ( 2448 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8858 -37.8858 -37.8823 -37.8823 -37.6009 -37.6009 -37.6002 -37.6002 -37.5950 -37.5950 -37.5875 -37.5875 3.0207 3.0207 3.0438 3.0438 7.5269 7.5269 7.6977 7.6977 8.7200 8.7200 8.9044 8.9044 k = 0.5000 0.2887 0.0205 ( 2448 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8822 -37.8822 -37.6008 -37.6008 -37.6002 -37.6002 -37.5950 -37.5950 -37.5875 -37.5875 3.0135 3.0135 3.0368 3.0368 7.6238 7.6238 7.8554 7.8554 8.5493 8.5493 8.7979 8.7979 k = 0.5000 0.2887 0.0103 ( 2452 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8823 -37.8823 -37.6008 -37.6008 -37.6002 -37.6002 -37.5951 -37.5951 -37.5875 -37.5875 3.0091 3.0091 3.0326 3.0326 7.6915 7.6915 8.0092 8.0092 8.3876 8.3876 8.7243 8.7243 k = 0.5000 0.2887-0.0000 ( 2452 PWs) bands (ev): -70.9430 -70.9430 -70.9422 -70.9422 -37.8859 -37.8859 -37.8822 -37.8822 -37.6008 -37.6008 -37.6002 -37.6002 -37.5951 -37.5951 -37.5875 -37.5875 3.0077 3.0077 3.0312 3.0312 7.7163 7.7163 8.1100 8.1100 8.2842 8.2842 8.6975 8.6975 k = 0.3333 0.5774-0.0000 ( 2442 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8848 -37.8848 -37.8848 -37.8848 -37.5998 -37.5998 -37.5988 -37.5988 -37.5950 -37.5950 -37.5939 -37.5939 4.5169 4.5169 4.5225 4.5225 4.5338 4.5338 9.1595 9.1595 9.1597 9.1597 9.3316 9.3316 k = 0.3333 0.5774 0.0103 ( 2448 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8848 -37.8848 -37.5999 -37.5999 -37.5989 -37.5989 -37.5950 -37.5950 -37.5939 -37.5939 4.5182 4.5182 4.5238 4.5238 4.5352 4.5352 9.1442 9.1442 9.1444 9.1444 9.2873 9.2873 k = 0.3333 0.5774 0.0205 ( 2448 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8848 -37.8848 -37.5999 -37.5999 -37.5989 -37.5989 -37.5950 -37.5950 -37.5938 -37.5938 4.5222 4.5222 4.5278 4.5278 4.5394 4.5394 9.1001 9.1001 9.1003 9.1003 9.1815 9.1815 k = 0.3333 0.5774 0.0308 ( 2448 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8848 -37.8848 -37.6000 -37.6000 -37.5988 -37.5988 -37.5950 -37.5950 -37.5938 -37.5938 4.5288 4.5288 4.5344 4.5344 4.5465 4.5465 9.0312 9.0312 9.0320 9.0320 9.0502 9.0502 k = 0.3333 0.5774 0.0411 ( 2451 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8848 -37.8848 -37.6002 -37.6002 -37.5988 -37.5988 -37.5950 -37.5950 -37.5937 -37.5937 4.5380 4.5380 4.5436 4.5436 4.5563 4.5563 8.9062 8.9062 8.9453 8.9453 8.9463 8.9463 k = 0.3333 0.5774 0.0513 ( 2451 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8848 -37.8848 -37.6003 -37.6003 -37.5988 -37.5988 -37.5950 -37.5950 -37.5935 -37.5935 4.5499 4.5499 4.5555 4.5555 4.5689 4.5689 8.7606 8.7606 8.8454 8.8454 8.8463 8.8463 k = 0.3333 0.5774 0.0616 ( 2448 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8848 -37.8848 -37.6005 -37.6005 -37.5988 -37.5988 -37.5950 -37.5950 -37.5934 -37.5934 4.5643 4.5643 4.5699 4.5699 4.5844 4.5844 8.6141 8.6141 8.7365 8.7365 8.7374 8.7374 k = 0.3333 0.5774 0.0718 ( 2448 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8848 -37.8848 -37.6006 -37.6006 -37.5988 -37.5988 -37.5950 -37.5950 -37.5932 -37.5932 4.5813 4.5813 4.5869 4.5869 4.6026 4.6026 8.4684 8.4684 8.6215 8.6215 8.6225 8.6225 k = 0.3333 0.5774 0.0821 ( 2448 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8848 -37.8848 -37.6008 -37.6008 -37.5988 -37.5988 -37.5950 -37.5950 -37.5930 -37.5930 4.6008 4.6008 4.6064 4.6064 4.6237 4.6237 8.3241 8.3241 8.5028 8.5028 8.5040 8.5040 k = 0.3333 0.5774 0.0924 ( 2451 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8849 -37.8849 -37.6010 -37.6010 -37.5988 -37.5988 -37.5950 -37.5950 -37.5929 -37.5929 4.6229 4.6229 4.6285 4.6285 4.6476 4.6476 8.1817 8.1817 8.3821 8.3821 8.3833 8.3833 k = 0.3333 0.5774 0.1026 ( 2457 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8849 -37.8849 -37.6012 -37.6012 -37.5988 -37.5988 -37.5950 -37.5950 -37.5927 -37.5927 4.6473 4.6473 4.6530 4.6530 4.6742 4.6742 8.0415 8.0415 8.2606 8.2606 8.2619 8.2619 k = 0.3333 0.5774 0.1129 ( 2451 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8849 -37.8849 -37.6014 -37.6014 -37.5988 -37.5988 -37.5950 -37.5950 -37.5925 -37.5925 4.6742 4.6742 4.6799 4.6799 4.7037 4.7037 7.9037 7.9037 8.1393 8.1393 8.1406 8.1406 k = 0.3333 0.5774 0.1232 ( 2445 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8849 -37.8849 -37.8848 -37.8848 -37.6016 -37.6016 -37.5988 -37.5988 -37.5950 -37.5950 -37.5923 -37.5923 4.7034 4.7034 4.7092 4.7092 4.7360 4.7360 7.7683 7.7683 8.0188 8.0188 8.0201 8.0201 k = 0.3333 0.5774 0.1334 ( 2457 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8849 -37.8849 -37.6018 -37.6018 -37.5988 -37.5988 -37.5950 -37.5950 -37.5921 -37.5921 4.7348 4.7348 4.7406 4.7406 4.7711 4.7711 7.6355 7.6355 7.8995 7.8995 7.9009 7.9009 k = 0.3333 0.5774 0.1437 ( 2457 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8849 -37.8849 -37.6020 -37.6020 -37.5988 -37.5988 -37.5950 -37.5950 -37.5919 -37.5919 4.7684 4.7684 4.7742 4.7742 4.8090 4.8090 7.5054 7.5054 7.7822 7.7822 7.7836 7.7836 k = 0.3333 0.5774 0.1539 ( 2457 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8849 -37.8849 -37.6022 -37.6022 -37.5988 -37.5988 -37.5950 -37.5950 -37.5917 -37.5917 4.8040 4.8040 4.8099 4.8099 4.8497 4.8497 7.3779 7.3779 7.6671 7.6671 7.6685 7.6685 k = 0.3333 0.5774 0.1642 ( 2457 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8849 -37.8849 -37.6024 -37.6024 -37.5988 -37.5988 -37.5950 -37.5950 -37.5915 -37.5915 4.8415 4.8415 4.8474 4.8474 4.8932 4.8932 7.2531 7.2531 7.5547 7.5547 7.5561 7.5561 k = 0.3333 0.5774 0.1745 ( 2457 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8849 -37.8849 -37.6026 -37.6026 -37.5988 -37.5988 -37.5950 -37.5950 -37.5914 -37.5914 4.8807 4.8807 4.8867 4.8867 4.9396 4.9396 7.1311 7.1311 7.4452 7.4452 7.4466 7.4466 k = 0.3333 0.5774 0.1847 ( 2451 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8849 -37.8849 -37.6027 -37.6027 -37.5988 -37.5988 -37.5949 -37.5949 -37.5912 -37.5912 4.9214 4.9214 4.9275 4.9275 4.9887 4.9887 7.0119 7.0119 7.3391 7.3391 7.3404 7.3404 k = 0.3333 0.5774 0.1950 ( 2457 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8849 -37.8849 -37.6029 -37.6029 -37.5988 -37.5988 -37.5950 -37.5950 -37.5910 -37.5910 4.9632 4.9632 4.9694 4.9694 5.0406 5.0406 6.8954 6.8954 7.2367 7.2367 7.2380 7.2380 k = 0.3333 0.5774 0.2053 ( 2454 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8851 -37.8851 -37.8849 -37.8849 -37.6030 -37.6030 -37.5988 -37.5988 -37.5949 -37.5949 -37.5909 -37.5909 5.0060 5.0060 5.0122 5.0122 5.0955 5.0955 6.7816 6.7816 7.1385 7.1385 7.1397 7.1397 k = 0.3333 0.5774 0.2155 ( 2451 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8851 -37.8851 -37.8849 -37.8849 -37.6032 -37.6032 -37.5988 -37.5988 -37.5949 -37.5949 -37.5907 -37.5907 5.0491 5.0491 5.0554 5.0554 5.1531 5.1531 6.6706 6.6706 7.0450 7.0450 7.0461 7.0461 k = 0.3333 0.5774 0.2258 ( 2451 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8851 -37.8851 -37.8849 -37.8849 -37.6033 -37.6033 -37.5988 -37.5988 -37.5949 -37.5949 -37.5906 -37.5906 5.0921 5.0921 5.0986 5.0986 5.2135 5.2135 6.5624 6.5624 6.9568 6.9568 6.9578 6.9578 k = 0.3333 0.5774 0.2360 ( 2439 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8849 -37.8849 -37.6033 -37.6033 -37.5987 -37.5987 -37.5949 -37.5949 -37.5905 -37.5905 5.1343 5.1343 5.1409 5.1409 5.2768 5.2768 6.4571 6.4571 6.8747 6.8747 6.8755 6.8755 k = 0.3333 0.5774 0.2463 ( 2433 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6034 -37.6034 -37.5987 -37.5987 -37.5949 -37.5949 -37.5904 -37.5904 5.1748 5.1748 5.1816 5.1816 5.3428 5.3428 6.3546 6.3546 6.7994 6.7994 6.8001 6.8001 k = 0.3333 0.5774 0.2566 ( 2427 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6035 -37.6035 -37.5987 -37.5987 -37.5949 -37.5949 -37.5903 -37.5903 5.2126 5.2126 5.2196 5.2196 5.4117 5.4117 6.2549 6.2549 6.7322 6.7322 6.7327 6.7327 k = 0.3333 0.5774 0.2668 ( 2427 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6036 -37.6036 -37.5987 -37.5987 -37.5948 -37.5948 -37.5902 -37.5902 5.2465 5.2465 5.2536 5.2536 5.4833 5.4833 6.1579 6.1579 6.6742 6.6742 6.6746 6.6746 k = 0.3333 0.5774 0.2771 ( 2427 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6036 -37.6036 -37.5987 -37.5987 -37.5948 -37.5948 -37.5902 -37.5902 5.2750 5.2750 5.2823 5.2823 5.5578 5.5578 6.0637 6.0637 6.6269 6.6269 6.6271 6.6271 k = 0.3333 0.5774 0.2874 ( 2427 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6037 -37.6037 -37.5987 -37.5987 -37.5948 -37.5948 -37.5901 -37.5901 5.2968 5.2968 5.3042 5.3042 5.6351 5.6351 5.9724 5.9724 6.5917 6.5917 6.5918 6.5918 k = 0.3333 0.5774 0.2976 ( 2421 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6037 -37.6037 -37.5987 -37.5987 -37.5948 -37.5948 -37.5901 -37.5901 5.3105 5.3105 5.3180 5.3180 5.7151 5.7151 5.8840 5.8840 6.5699 6.5699 6.5699 6.5699 k = 0.3333 0.5774 0.3079 ( 2412 PWs) bands (ev): -70.9424 -70.9424 -70.9424 -70.9424 -37.8850 -37.8850 -37.8848 -37.8848 -37.6037 -37.6037 -37.5987 -37.5987 -37.5948 -37.5948 -37.5900 -37.5900 5.3152 5.3152 5.3228 5.3228 5.7940 5.7940 5.8023 5.8023 6.5626 6.5626 6.5626 6.5626 Writing output data file Mg.save init_run : 0.05s CPU 0.15s WALL ( 1 calls) electrons : 48.79s CPU 50.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 48.78s CPU 50.05s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 409 calls) cegterg : 45.10s CPU 45.98s WALL ( 477 calls) Called by sum_band: Called by *egterg: h_psi : 22.13s CPU 22.71s WALL ( 7407 calls) s_psi : 0.25s CPU 0.25s WALL ( 7407 calls) g_psi : 0.07s CPU 0.07s WALL ( 6521 calls) cdiaghg : 22.35s CPU 22.64s WALL ( 6930 calls) cegterg:over : 1.23s CPU 1.36s WALL ( 6521 calls) cegterg:upda : 1.01s CPU 1.05s WALL ( 6521 calls) cegterg:last : 0.52s CPU 0.47s WALL ( 979 calls) cdiaghg:chol : 1.14s CPU 1.13s WALL ( 6930 calls) cdiaghg:inve : 0.51s CPU 0.51s WALL ( 6930 calls) cdiaghg:para : 1.49s CPU 1.37s WALL ( 13860 calls) Called by h_psi: h_psi:vloc : 21.30s CPU 21.88s WALL ( 7407 calls) h_psi:vnl : 0.80s CPU 0.80s WALL ( 7407 calls) add_vuspsi : 0.31s CPU 0.30s WALL ( 7407 calls) General routines calbec : 0.48s CPU 0.48s WALL ( 7407 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.08s CPU 20.65s WALL ( 370396 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.11s WALL ( 818 calls) Parallel routines fft_scatter : 8.61s CPU 8.84s WALL ( 370419 calls) PWSCF : 0m57.45s CPU 1m 7.49s WALL This run was terminated on: 20:44:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=