Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:18: 1 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: ./Y.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 23 14 4 865 402 66 Max 24 15 5 872 423 73 Sum 847 511 163 31249 14725 2465 bravais-lattice index = 14 lattice parameter (alat) = 6.8926 a.u. unit-cell volume = 445.5475 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 39.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.892587 celldm(2)= 1.000000 celldm(3)= 1.571147 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 1.571147 ) 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 0.636478 ) PseudoPot. # 1 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Y 11.00 88.90590 Y( 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 ) ( -0.7855733 ) 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 ) ( 0.7855733 ) 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 ) ( -0.7855733 ) 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 ) ( -0.7855733 ) 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 ) ( 0.7855733 ) 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 ) ( 0.7855733 ) 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 ) ( 0.7855733 ) 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 ) ( -0.7855733 ) 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 ) ( 0.7855733 ) 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 ) ( 0.7855733 ) 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 ) ( -0.7855733 ) 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 ) ( -0.7855733 ) 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= 367 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0027248 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0027248 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0027248 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0027248 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0027248 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0027248 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0027248 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0027248 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0027248 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0027248 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0027248 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0027248 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0027248 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0027248 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0027248 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0027248 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0027248 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0027248 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0027248 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0027248 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0027248 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0027248 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0027248 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0027248 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0027248 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0027248 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0027248 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0027248 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0027248 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0027248 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0027248 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0027248 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0027248 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0027248 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0027248 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0027248 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0027248 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0027248 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0027248 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0027248 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0027248 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0027248 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0027248 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0027248 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0027248 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0027248 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0027248 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0027248 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0027248 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027248 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027248 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0027248 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0027248 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0027248 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0027248 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0027248 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0027248 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0027248 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0027248 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0027248 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0027248 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0027248 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0027248 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0027248 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0027248 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0027248 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0027248 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0027248 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0027248 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0027248 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0027248 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0027248 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0027248 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0027248 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0027248 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0027248 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0027248 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0027248 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0027248 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027248 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027248 k( 83) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0027248 k( 84) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0027248 k( 85) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0027248 k( 86) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0027248 k( 87) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0027248 k( 88) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0027248 k( 89) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0027248 k( 90) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0027248 k( 91) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0027248 k( 92) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0027248 k( 93) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0027248 k( 94) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0027248 k( 95) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0027248 k( 96) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0027248 k( 97) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0027248 k( 98) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0027248 k( 99) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0027248 k( 100) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0027248 k( 101) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0027248 k( 102) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0027248 k( 103) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0027248 k( 104) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0027248 k( 105) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0027248 k( 106) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0027248 k( 107) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0027248 k( 108) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0027248 k( 109) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0027248 k( 110) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0027248 k( 111) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027248 k( 112) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0027248 k( 113) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0027248 k( 114) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0027248 k( 115) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0027248 k( 116) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0027248 k( 117) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0027248 k( 118) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0027248 k( 119) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0027248 k( 120) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0027248 k( 121) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0027248 k( 122) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0027248 k( 123) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0027248 k( 124) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0027248 k( 125) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0027248 k( 126) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0027248 k( 127) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0027248 k( 128) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0027248 k( 129) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0027248 k( 130) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0027248 k( 131) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0027248 k( 132) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0027248 k( 133) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0027248 k( 134) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0027248 k( 135) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0027248 k( 136) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0027248 k( 137) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0027248 k( 138) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0027248 k( 139) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0027248 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 142) = ( 0.0000000 0.0000000 0.0113657), wk = 0.0027248 k( 143) = ( 0.0000000 0.0000000 0.0227314), wk = 0.0027248 k( 144) = ( 0.0000000 0.0000000 0.0340970), wk = 0.0027248 k( 145) = ( 0.0000000 0.0000000 0.0454627), wk = 0.0027248 k( 146) = ( 0.0000000 0.0000000 0.0568284), wk = 0.0027248 k( 147) = ( 0.0000000 0.0000000 0.0681941), wk = 0.0027248 k( 148) = ( 0.0000000 0.0000000 0.0795597), wk = 0.0027248 k( 149) = ( 0.0000000 0.0000000 0.0909254), wk = 0.0027248 k( 150) = ( 0.0000000 0.0000000 0.1022911), wk = 0.0027248 k( 151) = ( 0.0000000 0.0000000 0.1136568), wk = 0.0027248 k( 152) = ( 0.0000000 0.0000000 0.1250224), wk = 0.0027248 k( 153) = ( 0.0000000 0.0000000 0.1363881), wk = 0.0027248 k( 154) = ( 0.0000000 0.0000000 0.1477538), wk = 0.0027248 k( 155) = ( 0.0000000 0.0000000 0.1591195), wk = 0.0027248 k( 156) = ( 0.0000000 0.0000000 0.1704851), wk = 0.0027248 k( 157) = ( 0.0000000 0.0000000 0.1818508), wk = 0.0027248 k( 158) = ( 0.0000000 0.0000000 0.1932165), wk = 0.0027248 k( 159) = ( 0.0000000 0.0000000 0.2045822), wk = 0.0027248 k( 160) = ( 0.0000000 0.0000000 0.2159478), wk = 0.0027248 k( 161) = ( 0.0000000 0.0000000 0.2273135), wk = 0.0027248 k( 162) = ( 0.0000000 0.0000000 0.2386792), wk = 0.0027248 k( 163) = ( 0.0000000 0.0000000 0.2500449), wk = 0.0027248 k( 164) = ( 0.0000000 0.0000000 0.2614106), wk = 0.0027248 k( 165) = ( 0.0000000 0.0000000 0.2727762), wk = 0.0027248 k( 166) = ( 0.0000000 0.0000000 0.2841419), wk = 0.0027248 k( 167) = ( 0.0000000 0.0000000 0.2955076), wk = 0.0027248 k( 168) = ( 0.0000000 0.0000000 0.3068733), wk = 0.0027248 k( 169) = ( 0.0000000 0.0000000 0.3182389), wk = 0.0027248 k( 170) = ( 0.0000000 0.0000000 0.3182389), wk = 0.0027248 k( 171) = ( 0.0100000 0.0057735 0.3182389), wk = 0.0027248 k( 172) = ( 0.0200000 0.0115470 0.3182389), wk = 0.0027248 k( 173) = ( 0.0300000 0.0173205 0.3182389), wk = 0.0027248 k( 174) = ( 0.0400000 0.0230940 0.3182389), wk = 0.0027248 k( 175) = ( 0.0500000 0.0288675 0.3182389), wk = 0.0027248 k( 176) = ( 0.0600000 0.0346410 0.3182389), wk = 0.0027248 k( 177) = ( 0.0700000 0.0404145 0.3182389), wk = 0.0027248 k( 178) = ( 0.0800000 0.0461880 0.3182389), wk = 0.0027248 k( 179) = ( 0.0900000 0.0519615 0.3182389), wk = 0.0027248 k( 180) = ( 0.1000000 0.0577350 0.3182389), wk = 0.0027248 k( 181) = ( 0.1100000 0.0635085 0.3182389), wk = 0.0027248 k( 182) = ( 0.1200000 0.0692820 0.3182389), wk = 0.0027248 k( 183) = ( 0.1300000 0.0750555 0.3182389), wk = 0.0027248 k( 184) = ( 0.1400000 0.0808290 0.3182389), wk = 0.0027248 k( 185) = ( 0.1500000 0.0866025 0.3182389), wk = 0.0027248 k( 186) = ( 0.1600000 0.0923760 0.3182389), wk = 0.0027248 k( 187) = ( 0.1700000 0.0981495 0.3182389), wk = 0.0027248 k( 188) = ( 0.1800000 0.1039230 0.3182389), wk = 0.0027248 k( 189) = ( 0.1900000 0.1096966 0.3182389), wk = 0.0027248 k( 190) = ( 0.2000000 0.1154701 0.3182389), wk = 0.0027248 k( 191) = ( 0.2100000 0.1212436 0.3182389), wk = 0.0027248 k( 192) = ( 0.2200000 0.1270171 0.3182389), wk = 0.0027248 k( 193) = ( 0.2300000 0.1327906 0.3182389), wk = 0.0027248 k( 194) = ( 0.2400000 0.1385641 0.3182389), wk = 0.0027248 k( 195) = ( 0.2500000 0.1443376 0.3182389), wk = 0.0027248 k( 196) = ( 0.2600000 0.1501111 0.3182389), wk = 0.0027248 k( 197) = ( 0.2700000 0.1558846 0.3182389), wk = 0.0027248 k( 198) = ( 0.2800000 0.1616581 0.3182389), wk = 0.0027248 k( 199) = ( 0.2900000 0.1674316 0.3182389), wk = 0.0027248 k( 200) = ( 0.3000000 0.1732051 0.3182389), wk = 0.0027248 k( 201) = ( 0.3100000 0.1789786 0.3182389), wk = 0.0027248 k( 202) = ( 0.3200000 0.1847521 0.3182389), wk = 0.0027248 k( 203) = ( 0.3300000 0.1905256 0.3182389), wk = 0.0027248 k( 204) = ( 0.3400000 0.1962991 0.3182389), wk = 0.0027248 k( 205) = ( 0.3500000 0.2020726 0.3182389), wk = 0.0027248 k( 206) = ( 0.3600000 0.2078461 0.3182389), wk = 0.0027248 k( 207) = ( 0.3700000 0.2136196 0.3182389), wk = 0.0027248 k( 208) = ( 0.3800000 0.2193931 0.3182389), wk = 0.0027248 k( 209) = ( 0.3900000 0.2251666 0.3182389), wk = 0.0027248 k( 210) = ( 0.4000000 0.2309401 0.3182389), wk = 0.0027248 k( 211) = ( 0.4100000 0.2367136 0.3182389), wk = 0.0027248 k( 212) = ( 0.4200000 0.2424871 0.3182389), wk = 0.0027248 k( 213) = ( 0.4300000 0.2482606 0.3182389), wk = 0.0027248 k( 214) = ( 0.4400000 0.2540341 0.3182389), wk = 0.0027248 k( 215) = ( 0.4500000 0.2598076 0.3182389), wk = 0.0027248 k( 216) = ( 0.4600000 0.2655811 0.3182389), wk = 0.0027248 k( 217) = ( 0.4700000 0.2713546 0.3182389), wk = 0.0027248 k( 218) = ( 0.4800000 0.2771281 0.3182389), wk = 0.0027248 k( 219) = ( 0.4900000 0.2829016 0.3182389), wk = 0.0027248 k( 220) = ( 0.5000000 0.2886751 0.3182389), wk = 0.0027248 k( 221) = ( 0.5000000 0.2886751 0.3182389), wk = 0.0027248 k( 222) = ( 0.4942529 0.2986294 0.3182389), wk = 0.0027248 k( 223) = ( 0.4885058 0.3085838 0.3182389), wk = 0.0027248 k( 224) = ( 0.4827586 0.3185381 0.3182389), wk = 0.0027248 k( 225) = ( 0.4770115 0.3284924 0.3182389), wk = 0.0027248 k( 226) = ( 0.4712644 0.3384467 0.3182389), wk = 0.0027248 k( 227) = ( 0.4655172 0.3484010 0.3182389), wk = 0.0027248 k( 228) = ( 0.4597701 0.3583553 0.3182389), wk = 0.0027248 k( 229) = ( 0.4540230 0.3683097 0.3182389), wk = 0.0027248 k( 230) = ( 0.4482759 0.3782640 0.3182389), wk = 0.0027248 k( 231) = ( 0.4425287 0.3882183 0.3182389), wk = 0.0027248 k( 232) = ( 0.4367816 0.3981726 0.3182389), wk = 0.0027248 k( 233) = ( 0.4310345 0.4081269 0.3182389), wk = 0.0027248 k( 234) = ( 0.4252874 0.4180812 0.3182389), wk = 0.0027248 k( 235) = ( 0.4195402 0.4280355 0.3182389), wk = 0.0027248 k( 236) = ( 0.4137931 0.4379899 0.3182389), wk = 0.0027248 k( 237) = ( 0.4080460 0.4479442 0.3182389), wk = 0.0027248 k( 238) = ( 0.4022988 0.4578985 0.3182389), wk = 0.0027248 k( 239) = ( 0.3965517 0.4678528 0.3182389), wk = 0.0027248 k( 240) = ( 0.3908046 0.4778071 0.3182389), wk = 0.0027248 k( 241) = ( 0.3850575 0.4877614 0.3182389), wk = 0.0027248 k( 242) = ( 0.3793103 0.4977157 0.3182389), wk = 0.0027248 k( 243) = ( 0.3735632 0.5076701 0.3182389), wk = 0.0027248 k( 244) = ( 0.3678161 0.5176244 0.3182389), wk = 0.0027248 k( 245) = ( 0.3620690 0.5275787 0.3182389), wk = 0.0027248 k( 246) = ( 0.3563218 0.5375330 0.3182389), wk = 0.0027248 k( 247) = ( 0.3505747 0.5474873 0.3182389), wk = 0.0027248 k( 248) = ( 0.3448276 0.5574416 0.3182389), wk = 0.0027248 k( 249) = ( 0.3390805 0.5673960 0.3182389), wk = 0.0027248 k( 250) = ( 0.3333333 0.5773503 0.3182389), wk = 0.0027248 k( 251) = ( 0.3333333 0.5773503 0.3182389), wk = 0.0027248 k( 252) = ( 0.3275862 0.5673960 0.3182389), wk = 0.0027248 k( 253) = ( 0.3218391 0.5574416 0.3182389), wk = 0.0027248 k( 254) = ( 0.3160920 0.5474873 0.3182389), wk = 0.0027248 k( 255) = ( 0.3103448 0.5375330 0.3182389), wk = 0.0027248 k( 256) = ( 0.3045977 0.5275787 0.3182389), wk = 0.0027248 k( 257) = ( 0.2988506 0.5176244 0.3182389), wk = 0.0027248 k( 258) = ( 0.2931034 0.5076701 0.3182389), wk = 0.0027248 k( 259) = ( 0.2873563 0.4977157 0.3182389), wk = 0.0027248 k( 260) = ( 0.2816092 0.4877614 0.3182389), wk = 0.0027248 k( 261) = ( 0.2758621 0.4778071 0.3182389), wk = 0.0027248 k( 262) = ( 0.2701149 0.4678528 0.3182389), wk = 0.0027248 k( 263) = ( 0.2643678 0.4578985 0.3182389), wk = 0.0027248 k( 264) = ( 0.2586207 0.4479442 0.3182389), wk = 0.0027248 k( 265) = ( 0.2528736 0.4379899 0.3182389), wk = 0.0027248 k( 266) = ( 0.2471264 0.4280355 0.3182389), wk = 0.0027248 k( 267) = ( 0.2413793 0.4180812 0.3182389), wk = 0.0027248 k( 268) = ( 0.2356322 0.4081269 0.3182389), wk = 0.0027248 k( 269) = ( 0.2298851 0.3981726 0.3182389), wk = 0.0027248 k( 270) = ( 0.2241379 0.3882183 0.3182389), wk = 0.0027248 k( 271) = ( 0.2183908 0.3782640 0.3182389), wk = 0.0027248 k( 272) = ( 0.2126437 0.3683097 0.3182389), wk = 0.0027248 k( 273) = ( 0.2068966 0.3583553 0.3182389), wk = 0.0027248 k( 274) = ( 0.2011494 0.3484010 0.3182389), wk = 0.0027248 k( 275) = ( 0.1954023 0.3384467 0.3182389), wk = 0.0027248 k( 276) = ( 0.1896552 0.3284924 0.3182389), wk = 0.0027248 k( 277) = ( 0.1839080 0.3185381 0.3182389), wk = 0.0027248 k( 278) = ( 0.1781609 0.3085838 0.3182389), wk = 0.0027248 k( 279) = ( 0.1724138 0.2986294 0.3182389), wk = 0.0027248 k( 280) = ( 0.1666667 0.2886751 0.3182389), wk = 0.0027248 k( 281) = ( 0.1609195 0.2787208 0.3182389), wk = 0.0027248 k( 282) = ( 0.1551724 0.2687665 0.3182389), wk = 0.0027248 k( 283) = ( 0.1494253 0.2588122 0.3182389), wk = 0.0027248 k( 284) = ( 0.1436782 0.2488579 0.3182389), wk = 0.0027248 k( 285) = ( 0.1379310 0.2389036 0.3182389), wk = 0.0027248 k( 286) = ( 0.1321839 0.2289492 0.3182389), wk = 0.0027248 k( 287) = ( 0.1264368 0.2189949 0.3182389), wk = 0.0027248 k( 288) = ( 0.1206897 0.2090406 0.3182389), wk = 0.0027248 k( 289) = ( 0.1149425 0.1990863 0.3182389), wk = 0.0027248 k( 290) = ( 0.1091954 0.1891320 0.3182389), wk = 0.0027248 k( 291) = ( 0.1034483 0.1791777 0.3182389), wk = 0.0027248 k( 292) = ( 0.0977012 0.1692234 0.3182389), wk = 0.0027248 k( 293) = ( 0.0919540 0.1592690 0.3182389), wk = 0.0027248 k( 294) = ( 0.0862069 0.1493147 0.3182389), wk = 0.0027248 k( 295) = ( 0.0804598 0.1393604 0.3182389), wk = 0.0027248 k( 296) = ( 0.0747126 0.1294061 0.3182389), wk = 0.0027248 k( 297) = ( 0.0689655 0.1194518 0.3182389), wk = 0.0027248 k( 298) = ( 0.0632184 0.1094975 0.3182389), wk = 0.0027248 k( 299) = ( 0.0574713 0.0995431 0.3182389), wk = 0.0027248 k( 300) = ( 0.0517241 0.0895888 0.3182389), wk = 0.0027248 k( 301) = ( 0.0459770 0.0796345 0.3182389), wk = 0.0027248 k( 302) = ( 0.0402299 0.0696802 0.3182389), wk = 0.0027248 k( 303) = ( 0.0344828 0.0597259 0.3182389), wk = 0.0027248 k( 304) = ( 0.0287356 0.0497716 0.3182389), wk = 0.0027248 k( 305) = ( 0.0229885 0.0398173 0.3182389), wk = 0.0027248 k( 306) = ( 0.0172414 0.0298629 0.3182389), wk = 0.0027248 k( 307) = ( 0.0114942 0.0199086 0.3182389), wk = 0.0027248 k( 308) = ( 0.0057471 0.0099543 0.3182389), wk = 0.0027248 k( 309) = ( 0.0000000 0.0000000 0.3182389), wk = 0.0027248 k( 310) = ( 0.5000000 0.2886751 0.3182389), wk = 0.0027248 k( 311) = ( 0.5000000 0.2886751 0.3068733), wk = 0.0027248 k( 312) = ( 0.5000000 0.2886751 0.2955076), wk = 0.0027248 k( 313) = ( 0.5000000 0.2886751 0.2841419), wk = 0.0027248 k( 314) = ( 0.5000000 0.2886751 0.2727762), wk = 0.0027248 k( 315) = ( 0.5000000 0.2886751 0.2614106), wk = 0.0027248 k( 316) = ( 0.5000000 0.2886751 0.2500449), wk = 0.0027248 k( 317) = ( 0.5000000 0.2886751 0.2386792), wk = 0.0027248 k( 318) = ( 0.5000000 0.2886751 0.2273135), wk = 0.0027248 k( 319) = ( 0.5000000 0.2886751 0.2159478), wk = 0.0027248 k( 320) = ( 0.5000000 0.2886751 0.2045822), wk = 0.0027248 k( 321) = ( 0.5000000 0.2886751 0.1932165), wk = 0.0027248 k( 322) = ( 0.5000000 0.2886751 0.1818508), wk = 0.0027248 k( 323) = ( 0.5000000 0.2886751 0.1704851), wk = 0.0027248 k( 324) = ( 0.5000000 0.2886751 0.1591195), wk = 0.0027248 k( 325) = ( 0.5000000 0.2886751 0.1477538), wk = 0.0027248 k( 326) = ( 0.5000000 0.2886751 0.1363881), wk = 0.0027248 k( 327) = ( 0.5000000 0.2886751 0.1250224), wk = 0.0027248 k( 328) = ( 0.5000000 0.2886751 0.1136568), wk = 0.0027248 k( 329) = ( 0.5000000 0.2886751 0.1022911), wk = 0.0027248 k( 330) = ( 0.5000000 0.2886751 0.0909254), wk = 0.0027248 k( 331) = ( 0.5000000 0.2886751 0.0795597), wk = 0.0027248 k( 332) = ( 0.5000000 0.2886751 0.0681941), wk = 0.0027248 k( 333) = ( 0.5000000 0.2886751 0.0568284), wk = 0.0027248 k( 334) = ( 0.5000000 0.2886751 0.0454627), wk = 0.0027248 k( 335) = ( 0.5000000 0.2886751 0.0340970), wk = 0.0027248 k( 336) = ( 0.5000000 0.2886751 0.0227314), wk = 0.0027248 k( 337) = ( 0.5000000 0.2886751 0.0113657), wk = 0.0027248 k( 338) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027248 k( 339) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027248 k( 340) = ( 0.3333333 0.5773503 0.0113657), wk = 0.0027248 k( 341) = ( 0.3333333 0.5773503 0.0227314), wk = 0.0027248 k( 342) = ( 0.3333333 0.5773503 0.0340970), wk = 0.0027248 k( 343) = ( 0.3333333 0.5773503 0.0454627), wk = 0.0027248 k( 344) = ( 0.3333333 0.5773503 0.0568284), wk = 0.0027248 k( 345) = ( 0.3333333 0.5773503 0.0681941), wk = 0.0027248 k( 346) = ( 0.3333333 0.5773503 0.0795597), wk = 0.0027248 k( 347) = ( 0.3333333 0.5773503 0.0909254), wk = 0.0027248 k( 348) = ( 0.3333333 0.5773503 0.1022911), wk = 0.0027248 k( 349) = ( 0.3333333 0.5773503 0.1136568), wk = 0.0027248 k( 350) = ( 0.3333333 0.5773503 0.1250224), wk = 0.0027248 k( 351) = ( 0.3333333 0.5773503 0.1363881), wk = 0.0027248 k( 352) = ( 0.3333333 0.5773503 0.1477538), wk = 0.0027248 k( 353) = ( 0.3333333 0.5773503 0.1591195), wk = 0.0027248 k( 354) = ( 0.3333333 0.5773503 0.1704851), wk = 0.0027248 k( 355) = ( 0.3333333 0.5773503 0.1818508), wk = 0.0027248 k( 356) = ( 0.3333333 0.5773503 0.1932165), wk = 0.0027248 k( 357) = ( 0.3333333 0.5773503 0.2045822), wk = 0.0027248 k( 358) = ( 0.3333333 0.5773503 0.2159478), wk = 0.0027248 k( 359) = ( 0.3333333 0.5773503 0.2273135), wk = 0.0027248 k( 360) = ( 0.3333333 0.5773503 0.2386792), wk = 0.0027248 k( 361) = ( 0.3333333 0.5773503 0.2500449), wk = 0.0027248 k( 362) = ( 0.3333333 0.5773503 0.2614106), wk = 0.0027248 k( 363) = ( 0.3333333 0.5773503 0.2727762), wk = 0.0027248 k( 364) = ( 0.3333333 0.5773503 0.2841419), wk = 0.0027248 k( 365) = ( 0.3333333 0.5773503 0.2955076), wk = 0.0027248 k( 366) = ( 0.3333333 0.5773503 0.3068733), wk = 0.0027248 k( 367) = ( 0.3333333 0.5773503 0.3182389), wk = 0.0027248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0100000 0.0000000 -0.0000000), wk = 0.0027248 k( 3) = ( 0.0200000 0.0000000 -0.0000000), wk = 0.0027248 k( 4) = ( 0.0300000 0.0000000 -0.0000000), wk = 0.0027248 k( 5) = ( 0.0400000 0.0000000 -0.0000000), wk = 0.0027248 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0027248 k( 7) = ( 0.0600000 0.0000000 -0.0000000), wk = 0.0027248 k( 8) = ( 0.0700000 0.0000000 -0.0000000), wk = 0.0027248 k( 9) = ( 0.0800000 0.0000000 -0.0000000), wk = 0.0027248 k( 10) = ( 0.0900000 -0.0000000 -0.0000000), wk = 0.0027248 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0027248 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0027248 k( 13) = ( 0.1200000 0.0000000 -0.0000000), wk = 0.0027248 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0027248 k( 15) = ( 0.1400000 0.0000000 -0.0000000), wk = 0.0027248 k( 16) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0027248 k( 17) = ( 0.1600000 0.0000000 -0.0000000), wk = 0.0027248 k( 18) = ( 0.1700000 0.0000000 -0.0000000), wk = 0.0027248 k( 19) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0027248 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0027248 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0027248 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0027248 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0027248 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0027248 k( 25) = ( 0.2400000 0.0000000 -0.0000000), wk = 0.0027248 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0027248 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0027248 k( 28) = ( 0.2700000 0.0000000 -0.0000000), wk = 0.0027248 k( 29) = ( 0.2800000 0.0000000 -0.0000000), wk = 0.0027248 k( 30) = ( 0.2900000 0.0000000 -0.0000000), wk = 0.0027248 k( 31) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0027248 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0027248 k( 33) = ( 0.3200000 0.0000000 -0.0000000), wk = 0.0027248 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0027248 k( 35) = ( 0.3400000 0.0000000 -0.0000000), wk = 0.0027248 k( 36) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0027248 k( 37) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0027248 k( 38) = ( 0.3700000 0.0000000 -0.0000000), wk = 0.0027248 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0027248 k( 40) = ( 0.3900000 0.0000000 0.0000000), wk = 0.0027248 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0027248 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0027248 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0027248 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0027248 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0027248 k( 46) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0027248 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0027248 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0027248 k( 49) = ( 0.4800000 0.0000000 -0.0000000), wk = 0.0027248 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0027248 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027248 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027248 k( 53) = ( 0.4942529 0.0114943 -0.0000000), wk = 0.0027248 k( 54) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0027248 k( 55) = ( 0.4827586 0.0344828 -0.0000000), wk = 0.0027248 k( 56) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0027248 k( 57) = ( 0.4712644 0.0574713 -0.0000000), wk = 0.0027248 k( 58) = ( 0.4655172 0.0689655 0.0000000), wk = 0.0027248 k( 59) = ( 0.4597701 0.0804598 -0.0000000), wk = 0.0027248 k( 60) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0027248 k( 61) = ( 0.4482759 0.1034483 -0.0000000), wk = 0.0027248 k( 62) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0027248 k( 63) = ( 0.4367816 0.1264368 -0.0000000), wk = 0.0027248 k( 64) = ( 0.4310345 0.1379310 0.0000000), wk = 0.0027248 k( 65) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0027248 k( 66) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0027248 k( 67) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0027248 k( 68) = ( 0.4080460 0.1839081 -0.0000000), wk = 0.0027248 k( 69) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0027248 k( 70) = ( 0.3965517 0.2068966 -0.0000000), wk = 0.0027248 k( 71) = ( 0.3908046 0.2183908 0.0000000), wk = 0.0027248 k( 72) = ( 0.3850575 0.2298851 -0.0000000), wk = 0.0027248 k( 73) = ( 0.3793103 0.2413793 -0.0000000), wk = 0.0027248 k( 74) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0027248 k( 75) = ( 0.3678161 0.2643678 -0.0000000), wk = 0.0027248 k( 76) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0027248 k( 77) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0027248 k( 78) = ( 0.3505747 0.2988506 0.0000000), wk = 0.0027248 k( 79) = ( 0.3448276 0.3103448 -0.0000000), wk = 0.0027248 k( 80) = ( 0.3390805 0.3218391 -0.0000000), wk = 0.0027248 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027248 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027248 k( 83) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0027248 k( 84) = ( 0.3218391 0.3218391 0.0000000), wk = 0.0027248 k( 85) = ( 0.3160920 0.3160920 0.0000000), wk = 0.0027248 k( 86) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0027248 k( 87) = ( 0.3045977 0.3045977 -0.0000000), wk = 0.0027248 k( 88) = ( 0.2988506 0.2988506 0.0000000), wk = 0.0027248 k( 89) = ( 0.2931034 0.2931035 0.0000000), wk = 0.0027248 k( 90) = ( 0.2873563 0.2873563 -0.0000000), wk = 0.0027248 k( 91) = ( 0.2816092 0.2816092 0.0000000), wk = 0.0027248 k( 92) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0027248 k( 93) = ( 0.2701149 0.2701149 0.0000000), wk = 0.0027248 k( 94) = ( 0.2643678 0.2643678 0.0000000), wk = 0.0027248 k( 95) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0027248 k( 96) = ( 0.2528736 0.2528736 0.0000000), wk = 0.0027248 k( 97) = ( 0.2471264 0.2471264 0.0000000), wk = 0.0027248 k( 98) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0027248 k( 99) = ( 0.2356322 0.2356322 0.0000000), wk = 0.0027248 k( 100) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0027248 k( 101) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0027248 k( 102) = ( 0.2183908 0.2183908 -0.0000000), wk = 0.0027248 k( 103) = ( 0.2126437 0.2126437 -0.0000000), wk = 0.0027248 k( 104) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0027248 k( 105) = ( 0.2011494 0.2011494 0.0000000), wk = 0.0027248 k( 106) = ( 0.1954023 0.1954023 -0.0000000), wk = 0.0027248 k( 107) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0027248 k( 108) = ( 0.1839080 0.1839081 -0.0000000), wk = 0.0027248 k( 109) = ( 0.1781609 0.1781609 0.0000000), wk = 0.0027248 k( 110) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0027248 k( 111) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027248 k( 112) = ( 0.1609195 0.1609195 0.0000000), wk = 0.0027248 k( 113) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0027248 k( 114) = ( 0.1494253 0.1494253 -0.0000000), wk = 0.0027248 k( 115) = ( 0.1436782 0.1436782 -0.0000000), wk = 0.0027248 k( 116) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0027248 k( 117) = ( 0.1321839 0.1321839 0.0000000), wk = 0.0027248 k( 118) = ( 0.1264368 0.1264368 0.0000000), wk = 0.0027248 k( 119) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0027248 k( 120) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0027248 k( 121) = ( 0.1091954 0.1091954 -0.0000000), wk = 0.0027248 k( 122) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0027248 k( 123) = ( 0.0977012 0.0977012 -0.0000000), wk = 0.0027248 k( 124) = ( 0.0919540 0.0919540 0.0000000), wk = 0.0027248 k( 125) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0027248 k( 126) = ( 0.0804598 0.0804598 0.0000000), wk = 0.0027248 k( 127) = ( 0.0747126 0.0747126 0.0000000), wk = 0.0027248 k( 128) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0027248 k( 129) = ( 0.0632184 0.0632184 0.0000000), wk = 0.0027248 k( 130) = ( 0.0574713 0.0574713 0.0000000), wk = 0.0027248 k( 131) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0027248 k( 132) = ( 0.0459770 0.0459770 0.0000000), wk = 0.0027248 k( 133) = ( 0.0402299 0.0402299 0.0000000), wk = 0.0027248 k( 134) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0027248 k( 135) = ( 0.0287356 0.0287356 0.0000000), wk = 0.0027248 k( 136) = ( 0.0229885 0.0229885 -0.0000000), wk = 0.0027248 k( 137) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0027248 k( 138) = ( 0.0114942 0.0114943 -0.0000000), wk = 0.0027248 k( 139) = ( 0.0057471 0.0057471 -0.0000000), wk = 0.0027248 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 142) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0027248 k( 143) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027248 k( 144) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0027248 k( 145) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027248 k( 146) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0027248 k( 147) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027248 k( 148) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027248 k( 149) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027248 k( 150) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0027248 k( 151) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027248 k( 152) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0027248 k( 153) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027248 k( 154) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0027248 k( 155) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027248 k( 156) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0027248 k( 157) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027248 k( 158) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0027248 k( 159) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027248 k( 160) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0027248 k( 161) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027248 k( 162) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027248 k( 163) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027248 k( 164) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0027248 k( 165) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027248 k( 166) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0027248 k( 167) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027248 k( 168) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0027248 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 171) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0027248 k( 172) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0027248 k( 173) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0027248 k( 174) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0027248 k( 175) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0027248 k( 176) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0027248 k( 177) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0027248 k( 178) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0027248 k( 179) = ( 0.0900000 -0.0000000 0.5000000), wk = 0.0027248 k( 180) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0027248 k( 181) = ( 0.1100000 -0.0000000 0.5000000), wk = 0.0027248 k( 182) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0027248 k( 183) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0027248 k( 184) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0027248 k( 185) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0027248 k( 186) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0027248 k( 187) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0027248 k( 188) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0027248 k( 189) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0027248 k( 190) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0027248 k( 191) = ( 0.2100000 -0.0000000 0.5000000), wk = 0.0027248 k( 192) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0027248 k( 193) = ( 0.2300000 -0.0000000 0.5000000), wk = 0.0027248 k( 194) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0027248 k( 195) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0027248 k( 196) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0027248 k( 197) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0027248 k( 198) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0027248 k( 199) = ( 0.2900000 0.0000000 0.5000000), wk = 0.0027248 k( 200) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0027248 k( 201) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0027248 k( 202) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0027248 k( 203) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0027248 k( 204) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0027248 k( 205) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0027248 k( 206) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0027248 k( 207) = ( 0.3700000 0.0000000 0.5000000), wk = 0.0027248 k( 208) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0027248 k( 209) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0027248 k( 210) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0027248 k( 211) = ( 0.4100000 -0.0000000 0.5000000), wk = 0.0027248 k( 212) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0027248 k( 213) = ( 0.4300000 -0.0000000 0.5000000), wk = 0.0027248 k( 214) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0027248 k( 215) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0027248 k( 216) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0027248 k( 217) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0027248 k( 218) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0027248 k( 219) = ( 0.4900000 -0.0000000 0.5000000), wk = 0.0027248 k( 220) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027248 k( 221) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027248 k( 222) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0027248 k( 223) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0027248 k( 224) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0027248 k( 225) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0027248 k( 226) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0027248 k( 227) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0027248 k( 228) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0027248 k( 229) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0027248 k( 230) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0027248 k( 231) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0027248 k( 232) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0027248 k( 233) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0027248 k( 234) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0027248 k( 235) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0027248 k( 236) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0027248 k( 237) = ( 0.4080460 0.1839081 0.5000000), wk = 0.0027248 k( 238) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0027248 k( 239) = ( 0.3965517 0.2068966 0.5000000), wk = 0.0027248 k( 240) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0027248 k( 241) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0027248 k( 242) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0027248 k( 243) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0027248 k( 244) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0027248 k( 245) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0027248 k( 246) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0027248 k( 247) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0027248 k( 248) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0027248 k( 249) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0027248 k( 250) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027248 k( 251) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027248 k( 252) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0027248 k( 253) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0027248 k( 254) = ( 0.3160920 0.3160920 0.5000000), wk = 0.0027248 k( 255) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0027248 k( 256) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0027248 k( 257) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0027248 k( 258) = ( 0.2931034 0.2931035 0.5000000), wk = 0.0027248 k( 259) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0027248 k( 260) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0027248 k( 261) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0027248 k( 262) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0027248 k( 263) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0027248 k( 264) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0027248 k( 265) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0027248 k( 266) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0027248 k( 267) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0027248 k( 268) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0027248 k( 269) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0027248 k( 270) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0027248 k( 271) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0027248 k( 272) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0027248 k( 273) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0027248 k( 274) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0027248 k( 275) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0027248 k( 276) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0027248 k( 277) = ( 0.1839080 0.1839081 0.5000000), wk = 0.0027248 k( 278) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0027248 k( 279) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0027248 k( 280) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027248 k( 281) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0027248 k( 282) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0027248 k( 283) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0027248 k( 284) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0027248 k( 285) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0027248 k( 286) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0027248 k( 287) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0027248 k( 288) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0027248 k( 289) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0027248 k( 290) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0027248 k( 291) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0027248 k( 292) = ( 0.0977012 0.0977012 0.5000000), wk = 0.0027248 k( 293) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0027248 k( 294) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0027248 k( 295) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0027248 k( 296) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0027248 k( 297) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0027248 k( 298) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0027248 k( 299) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0027248 k( 300) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0027248 k( 301) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0027248 k( 302) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0027248 k( 303) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0027248 k( 304) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0027248 k( 305) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0027248 k( 306) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0027248 k( 307) = ( 0.0114942 0.0114943 0.5000000), wk = 0.0027248 k( 308) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0027248 k( 309) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 310) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027248 k( 311) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0027248 k( 312) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0027248 k( 313) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0027248 k( 314) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0027248 k( 315) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0027248 k( 316) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0027248 k( 317) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0027248 k( 318) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0027248 k( 319) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0027248 k( 320) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0027248 k( 321) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0027248 k( 322) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0027248 k( 323) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0027248 k( 324) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0027248 k( 325) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0027248 k( 326) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0027248 k( 327) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0027248 k( 328) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0027248 k( 329) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0027248 k( 330) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0027248 k( 331) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0027248 k( 332) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0027248 k( 333) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0027248 k( 334) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0027248 k( 335) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0027248 k( 336) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0027248 k( 337) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0027248 k( 338) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027248 k( 339) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027248 k( 340) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0027248 k( 341) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0027248 k( 342) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0027248 k( 343) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0027248 k( 344) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0027248 k( 345) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0027248 k( 346) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0027248 k( 347) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0027248 k( 348) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0027248 k( 349) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0027248 k( 350) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0027248 k( 351) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0027248 k( 352) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0027248 k( 353) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0027248 k( 354) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0027248 k( 355) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0027248 k( 356) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0027248 k( 357) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0027248 k( 358) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0027248 k( 359) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0027248 k( 360) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0027248 k( 361) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0027248 k( 362) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0027248 k( 363) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0027248 k( 364) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0027248 k( 365) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0027248 k( 366) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0027248 k( 367) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027248 Dense grid: 31249 G-vectors FFT dimensions: ( 36, 36, 60) Smooth grid: 14725 G-vectors FFT dimensions: ( 27, 27, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 124, 30) NL pseudopotentials 0.06 Mb ( 62, 68) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 872) G-vector shells 0.00 Mb ( 382) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.23 Mb ( 124, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Y.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.4 secs Computing kpt #: 2 total cpu time spent up to now is 1.6 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.4 secs Computing kpt #: 15 total cpu time spent up to now is 3.6 secs Computing kpt #: 16 total cpu time spent up to now is 3.8 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.5 secs Computing kpt #: 19 total cpu time spent up to now is 4.6 secs Computing kpt #: 20 total cpu time spent up to now is 4.8 secs Computing kpt #: 21 total cpu time spent up to now is 4.9 secs Computing kpt #: 22 total cpu time spent up to now is 5.0 secs Computing kpt #: 23 total cpu time spent up to now is 5.1 secs Computing kpt #: 24 total cpu time spent up to now is 5.3 secs Computing kpt #: 25 total cpu time spent up to now is 5.4 secs Computing kpt #: 26 total cpu time spent up to now is 5.5 secs Computing kpt #: 27 total cpu time spent up to now is 5.6 secs Computing kpt #: 28 total cpu time spent up to now is 5.7 secs Computing kpt #: 29 total cpu time spent up to now is 5.8 secs Computing kpt #: 30 total cpu time spent up to now is 6.0 secs Computing kpt #: 31 total cpu time spent up to now is 6.1 secs Computing kpt #: 32 total cpu time spent up to now is 6.2 secs Computing kpt #: 33 total cpu time spent up to now is 6.3 secs Computing kpt #: 34 total cpu time spent up to now is 6.4 secs Computing kpt #: 35 total cpu time spent up to now is 6.5 secs Computing kpt #: 36 total cpu time spent up to now is 6.7 secs Computing kpt #: 37 total cpu time spent up to now is 6.8 secs Computing kpt #: 38 total cpu time spent up to now is 6.9 secs Computing kpt #: 39 total cpu time spent up to now is 7.0 secs Computing kpt #: 40 total cpu time spent up to now is 7.1 secs Computing kpt #: 41 total cpu time spent up to now is 7.3 secs Computing kpt #: 42 total cpu time spent up to now is 7.4 secs Computing kpt #: 43 total cpu time spent up to now is 7.5 secs Computing kpt #: 44 total cpu time spent up to now is 7.6 secs Computing kpt #: 45 total cpu time spent up to now is 7.7 secs Computing kpt #: 46 total cpu time spent up to now is 7.8 secs Computing kpt #: 47 total cpu time spent up to now is 7.9 secs Computing kpt #: 48 total cpu time spent up to now is 8.1 secs Computing kpt #: 49 total cpu time spent up to now is 8.2 secs Computing kpt #: 50 total cpu time spent up to now is 8.3 secs Computing kpt #: 51 total cpu time spent up to now is 8.4 secs Computing kpt #: 52 total cpu time spent up to now is 8.5 secs Computing kpt #: 53 total cpu time spent up to now is 8.6 secs Computing kpt #: 54 total cpu time spent up to now is 8.7 secs Computing kpt #: 55 total cpu time spent up to now is 8.8 secs Computing kpt #: 56 total cpu time spent up to now is 9.0 secs Computing kpt #: 57 total cpu time spent up to now is 9.1 secs Computing kpt #: 58 total cpu time spent up to now is 9.2 secs Computing kpt #: 59 total cpu time spent up to now is 9.3 secs Computing kpt #: 60 total cpu time spent up to now is 9.4 secs Computing kpt #: 61 total cpu time spent up to now is 9.5 secs Computing kpt #: 62 total cpu time spent up to now is 9.6 secs Computing kpt #: 63 total cpu time spent up to now is 9.8 secs Computing kpt #: 64 total cpu time spent up to now is 9.9 secs Computing kpt #: 65 total cpu time spent up to now is 10.0 secs Computing kpt #: 66 total cpu time spent up to now is 10.1 secs Computing kpt #: 67 total cpu time spent up to now is 10.2 secs Computing kpt #: 68 total cpu time spent up to now is 10.3 secs Computing kpt #: 69 total cpu time spent up to now is 10.5 secs Computing kpt #: 70 total cpu time spent up to now is 10.6 secs Computing kpt #: 71 total cpu time spent up to now is 10.7 secs Computing kpt #: 72 total cpu time spent up to now is 10.8 secs Computing kpt #: 73 total cpu time spent up to now is 10.9 secs Computing kpt #: 74 total cpu time spent up to now is 11.0 secs Computing kpt #: 75 total cpu time spent up to now is 11.2 secs Computing kpt #: 76 total cpu time spent up to now is 11.3 secs Computing kpt #: 77 total cpu time spent up to now is 11.4 secs Computing kpt #: 78 total cpu time spent up to now is 11.5 secs Computing kpt #: 79 total cpu time spent up to now is 11.6 secs Computing kpt #: 80 total cpu time spent up to now is 11.7 secs Computing kpt #: 81 total cpu time spent up to now is 11.9 secs Computing kpt #: 82 total cpu time spent up to now is 12.0 secs Computing kpt #: 83 total cpu time spent up to now is 12.1 secs Computing kpt #: 84 total cpu time spent up to now is 12.2 secs Computing kpt #: 85 total cpu time spent up to now is 12.3 secs Computing kpt #: 86 total cpu time spent up to now is 12.4 secs Computing kpt #: 87 total cpu time spent up to now is 12.5 secs Computing kpt #: 88 total cpu time spent up to now is 12.7 secs Computing kpt #: 89 total cpu time spent up to now is 12.8 secs Computing kpt #: 90 total cpu time spent up to now is 12.9 secs Computing kpt #: 91 total cpu time spent up to now is 13.7 secs Computing kpt #: 92 total cpu time spent up to now is 13.8 secs Computing kpt #: 93 total cpu time spent up to now is 13.9 secs Computing kpt #: 94 total cpu time spent up to now is 14.1 secs Computing kpt #: 95 total cpu time spent up to now is 14.2 secs Computing kpt #: 96 total cpu time spent up to now is 14.3 secs Computing kpt #: 97 total cpu time spent up to now is 14.4 secs Computing kpt #: 98 total cpu time spent up to now is 14.5 secs Computing kpt #: 99 total cpu time spent up to now is 14.6 secs Computing kpt #: 100 total cpu time spent up to now is 14.7 secs Computing kpt #: 101 total cpu time spent up to now is 14.9 secs Computing kpt #: 102 total cpu time spent up to now is 15.0 secs Computing kpt #: 103 total cpu time spent up to now is 15.1 secs Computing kpt #: 104 total cpu time spent up to now is 15.2 secs Computing kpt #: 105 total cpu time spent up to now is 15.3 secs Computing kpt #: 106 total cpu time spent up to now is 15.5 secs Computing kpt #: 107 total cpu time spent up to now is 15.6 secs Computing kpt #: 108 total cpu time spent up to now is 15.7 secs Computing kpt #: 109 total cpu time spent up to now is 15.8 secs Computing kpt #: 110 total cpu time spent up to now is 15.9 secs Computing kpt #: 111 total cpu time spent up to now is 16.0 secs Computing kpt #: 112 total cpu time spent up to now is 16.2 secs Computing kpt #: 113 total cpu time spent up to now is 16.3 secs Computing kpt #: 114 total cpu time spent up to now is 16.4 secs Computing kpt #: 115 total cpu time spent up to now is 16.5 secs Computing kpt #: 116 total cpu time spent up to now is 16.6 secs Computing kpt #: 117 total cpu time spent up to now is 16.7 secs Computing kpt #: 118 total cpu time spent up to now is 16.9 secs Computing kpt #: 119 total cpu time spent up to now is 17.0 secs Computing kpt #: 120 total cpu time spent up to now is 17.1 secs Computing kpt #: 121 total cpu time spent up to now is 17.3 secs Computing kpt #: 122 total cpu time spent up to now is 17.6 secs Computing kpt #: 123 total cpu time spent up to now is 17.7 secs Computing kpt #: 124 total cpu time spent up to now is 17.9 secs Computing kpt #: 125 total cpu time spent up to now is 18.0 secs Computing kpt #: 126 total cpu time spent up to now is 18.2 secs Computing kpt #: 127 total cpu time spent up to now is 18.4 secs Computing kpt #: 128 total cpu time spent up to now is 18.6 secs Computing kpt #: 129 total cpu time spent up to now is 18.8 secs Computing kpt #: 130 total cpu time spent up to now is 18.9 secs Computing kpt #: 131 total cpu time spent up to now is 19.0 secs Computing kpt #: 132 total cpu time spent up to now is 19.2 secs Computing kpt #: 133 total cpu time spent up to now is 19.3 secs Computing kpt #: 134 total cpu time spent up to now is 19.5 secs Computing kpt #: 135 total cpu time spent up to now is 19.6 secs Computing kpt #: 136 total cpu time spent up to now is 19.8 secs Computing kpt #: 137 total cpu time spent up to now is 20.0 secs Computing kpt #: 138 total cpu time spent up to now is 20.2 secs Computing kpt #: 139 total cpu time spent up to now is 20.3 secs Computing kpt #: 140 total cpu time spent up to now is 20.5 secs Computing kpt #: 141 total cpu time spent up to now is 20.6 secs Computing kpt #: 142 total cpu time spent up to now is 20.8 secs Computing kpt #: 143 total cpu time spent up to now is 21.0 secs Computing kpt #: 144 total cpu time spent up to now is 21.2 secs Computing kpt #: 145 total cpu time spent up to now is 21.3 secs Computing kpt #: 146 total cpu time spent up to now is 21.5 secs Computing kpt #: 147 total cpu time spent up to now is 21.7 secs Computing kpt #: 148 total cpu time spent up to now is 21.8 secs Computing kpt #: 149 total cpu time spent up to now is 22.0 secs Computing kpt #: 150 total cpu time spent up to now is 22.1 secs Computing kpt #: 151 total cpu time spent up to now is 22.3 secs Computing kpt #: 152 total cpu time spent up to now is 22.4 secs Computing kpt #: 153 total cpu time spent up to now is 22.6 secs Computing kpt #: 154 total cpu time spent up to now is 22.7 secs Computing kpt #: 155 total cpu time spent up to now is 22.9 secs Computing kpt #: 156 total cpu time spent up to now is 23.1 secs Computing kpt #: 157 total cpu time spent up to now is 23.2 secs Computing kpt #: 158 total cpu time spent up to now is 23.3 secs Computing kpt #: 159 total cpu time spent up to now is 23.4 secs Computing kpt #: 160 total cpu time spent up to now is 23.6 secs Computing kpt #: 161 total cpu time spent up to now is 23.7 secs Computing kpt #: 162 total cpu time spent up to now is 23.8 secs Computing kpt #: 163 total cpu time spent up to now is 24.0 secs Computing kpt #: 164 total cpu time spent up to now is 24.1 secs Computing kpt #: 165 total cpu time spent up to now is 24.3 secs Computing kpt #: 166 total cpu time spent up to now is 24.5 secs Computing kpt #: 167 total cpu time spent up to now is 24.7 secs Computing kpt #: 168 total cpu time spent up to now is 24.8 secs Computing kpt #: 169 total cpu time spent up to now is 24.9 secs Computing kpt #: 170 total cpu time spent up to now is 25.1 secs Computing kpt #: 171 total cpu time spent up to now is 25.2 secs Computing kpt #: 172 total cpu time spent up to now is 25.3 secs Computing kpt #: 173 total cpu time spent up to now is 25.5 secs Computing kpt #: 174 total cpu time spent up to now is 25.6 secs Computing kpt #: 175 total cpu time spent up to now is 25.8 secs Computing kpt #: 176 total cpu time spent up to now is 25.9 secs Computing kpt #: 177 total cpu time spent up to now is 26.0 secs Computing kpt #: 178 total cpu time spent up to now is 26.2 secs Computing kpt #: 179 total cpu time spent up to now is 26.3 secs Computing kpt #: 180 total cpu time spent up to now is 26.5 secs Computing kpt #: 181 total cpu time spent up to now is 26.6 secs Computing kpt #: 182 total cpu time spent up to now is 26.7 secs Computing kpt #: 183 total cpu time spent up to now is 26.8 secs Computing kpt #: 184 total cpu time spent up to now is 26.9 secs Computing kpt #: 185 total cpu time spent up to now is 27.1 secs Computing kpt #: 186 total cpu time spent up to now is 27.2 secs Computing kpt #: 187 total cpu time spent up to now is 27.3 secs Computing kpt #: 188 total cpu time spent up to now is 28.0 secs Computing kpt #: 189 total cpu time spent up to now is 28.1 secs Computing kpt #: 190 total cpu time spent up to now is 28.2 secs Computing kpt #: 191 total cpu time spent up to now is 28.3 secs Computing kpt #: 192 total cpu time spent up to now is 28.5 secs Computing kpt #: 193 total cpu time spent up to now is 28.6 secs Computing kpt #: 194 total cpu time spent up to now is 28.7 secs Computing kpt #: 195 total cpu time spent up to now is 28.8 secs Computing kpt #: 196 total cpu time spent up to now is 28.9 secs Computing kpt #: 197 total cpu time spent up to now is 29.0 secs Computing kpt #: 198 total cpu time spent up to now is 29.2 secs Computing kpt #: 199 total cpu time spent up to now is 29.3 secs Computing kpt #: 200 total cpu time spent up to now is 29.4 secs Computing kpt #: 201 total cpu time spent up to now is 29.5 secs Computing kpt #: 202 total cpu time spent up to now is 29.6 secs Computing kpt #: 203 total cpu time spent up to now is 29.7 secs Computing kpt #: 204 total cpu time spent up to now is 29.8 secs Computing kpt #: 205 total cpu time spent up to now is 30.0 secs Computing kpt #: 206 total cpu time spent up to now is 30.1 secs Computing kpt #: 207 total cpu time spent up to now is 30.2 secs Computing kpt #: 208 total cpu time spent up to now is 30.3 secs Computing kpt #: 209 total cpu time spent up to now is 30.4 secs Computing kpt #: 210 total cpu time spent up to now is 30.6 secs Computing kpt #: 211 total cpu time spent up to now is 30.7 secs Computing kpt #: 212 total cpu time spent up to now is 30.8 secs Computing kpt #: 213 total cpu time spent up to now is 30.9 secs Computing kpt #: 214 total cpu time spent up to now is 31.0 secs Computing kpt #: 215 total cpu time spent up to now is 31.1 secs Computing kpt #: 216 total cpu time spent up to now is 31.2 secs Computing kpt #: 217 total cpu time spent up to now is 31.4 secs Computing kpt #: 218 total cpu time spent up to now is 31.5 secs Computing kpt #: 219 total cpu time spent up to now is 31.6 secs Computing kpt #: 220 total cpu time spent up to now is 31.7 secs Computing kpt #: 221 total cpu time spent up to now is 31.8 secs Computing kpt #: 222 total cpu time spent up to now is 32.0 secs Computing kpt #: 223 total cpu time spent up to now is 32.2 secs Computing kpt #: 224 total cpu time spent up to now is 32.4 secs Computing kpt #: 225 total cpu time spent up to now is 32.6 secs Computing kpt #: 226 total cpu time spent up to now is 32.8 secs Computing kpt #: 227 total cpu time spent up to now is 33.0 secs Computing kpt #: 228 total cpu time spent up to now is 33.1 secs Computing kpt #: 229 total cpu time spent up to now is 33.3 secs Computing kpt #: 230 total cpu time spent up to now is 33.5 secs Computing kpt #: 231 total cpu time spent up to now is 33.7 secs Computing kpt #: 232 total cpu time spent up to now is 33.9 secs Computing kpt #: 233 total cpu time spent up to now is 34.7 secs Computing kpt #: 234 total cpu time spent up to now is 34.8 secs Computing kpt #: 235 total cpu time spent up to now is 35.0 secs Computing kpt #: 236 total cpu time spent up to now is 35.2 secs Computing kpt #: 237 total cpu time spent up to now is 35.4 secs Computing kpt #: 238 total cpu time spent up to now is 35.6 secs Computing kpt #: 239 total cpu time spent up to now is 35.8 secs Computing kpt #: 240 total cpu time spent up to now is 35.9 secs Computing kpt #: 241 total cpu time spent up to now is 36.1 secs Computing kpt #: 242 total cpu time spent up to now is 36.3 secs Computing kpt #: 243 total cpu time spent up to now is 36.5 secs Computing kpt #: 244 total cpu time spent up to now is 36.7 secs Computing kpt #: 245 total cpu time spent up to now is 36.9 secs Computing kpt #: 246 total cpu time spent up to now is 37.0 secs Computing kpt #: 247 total cpu time spent up to now is 37.2 secs Computing kpt #: 248 total cpu time spent up to now is 37.4 secs Computing kpt #: 249 total cpu time spent up to now is 37.6 secs Computing kpt #: 250 total cpu time spent up to now is 37.7 secs Computing kpt #: 251 total cpu time spent up to now is 37.9 secs Computing kpt #: 252 total cpu time spent up to now is 38.1 secs Computing kpt #: 253 total cpu time spent up to now is 38.3 secs Computing kpt #: 254 total cpu time spent up to now is 38.5 secs Computing kpt #: 255 total cpu time spent up to now is 38.6 secs Computing kpt #: 256 total cpu time spent up to now is 38.8 secs Computing kpt #: 257 total cpu time spent up to now is 39.0 secs Computing kpt #: 258 total cpu time spent up to now is 39.2 secs Computing kpt #: 259 total cpu time spent up to now is 39.4 secs Computing kpt #: 260 total cpu time spent up to now is 39.5 secs Computing kpt #: 261 total cpu time spent up to now is 39.7 secs Computing kpt #: 262 total cpu time spent up to now is 39.9 secs Computing kpt #: 263 total cpu time spent up to now is 40.1 secs Computing kpt #: 264 total cpu time spent up to now is 40.3 secs Computing kpt #: 265 total cpu time spent up to now is 40.4 secs Computing kpt #: 266 total cpu time spent up to now is 40.6 secs Computing kpt #: 267 total cpu time spent up to now is 40.9 secs Computing kpt #: 268 total cpu time spent up to now is 41.0 secs Computing kpt #: 269 total cpu time spent up to now is 41.2 secs Computing kpt #: 270 total cpu time spent up to now is 41.4 secs Computing kpt #: 271 total cpu time spent up to now is 41.6 secs Computing kpt #: 272 total cpu time spent up to now is 41.7 secs Computing kpt #: 273 total cpu time spent up to now is 41.9 secs Computing kpt #: 274 total cpu time spent up to now is 42.1 secs Computing kpt #: 275 total cpu time spent up to now is 42.3 secs Computing kpt #: 276 total cpu time spent up to now is 42.5 secs Computing kpt #: 277 total cpu time spent up to now is 42.6 secs Computing kpt #: 278 total cpu time spent up to now is 42.8 secs Computing kpt #: 279 total cpu time spent up to now is 43.0 secs Computing kpt #: 280 total cpu time spent up to now is 43.2 secs Computing kpt #: 281 total cpu time spent up to now is 43.4 secs Computing kpt #: 282 total cpu time spent up to now is 43.6 secs Computing kpt #: 283 total cpu time spent up to now is 43.8 secs Computing kpt #: 284 total cpu time spent up to now is 44.0 secs Computing kpt #: 285 total cpu time spent up to now is 44.2 secs Computing kpt #: 286 total cpu time spent up to now is 44.4 secs Computing kpt #: 287 total cpu time spent up to now is 44.6 secs Computing kpt #: 288 total cpu time spent up to now is 44.8 secs Computing kpt #: 289 total cpu time spent up to now is 45.0 secs Computing kpt #: 290 total cpu time spent up to now is 45.2 secs Computing kpt #: 291 total cpu time spent up to now is 45.3 secs Computing kpt #: 292 total cpu time spent up to now is 45.5 secs Computing kpt #: 293 total cpu time spent up to now is 45.7 secs Computing kpt #: 294 total cpu time spent up to now is 45.9 secs Computing kpt #: 295 total cpu time spent up to now is 46.1 secs Computing kpt #: 296 total cpu time spent up to now is 46.2 secs Computing kpt #: 297 total cpu time spent up to now is 46.4 secs Computing kpt #: 298 total cpu time spent up to now is 46.5 secs Computing kpt #: 299 total cpu time spent up to now is 46.6 secs Computing kpt #: 300 total cpu time spent up to now is 46.7 secs Computing kpt #: 301 total cpu time spent up to now is 46.9 secs Computing kpt #: 302 total cpu time spent up to now is 47.1 secs Computing kpt #: 303 total cpu time spent up to now is 47.3 secs Computing kpt #: 304 total cpu time spent up to now is 47.5 secs Computing kpt #: 305 total cpu time spent up to now is 47.7 secs Computing kpt #: 306 total cpu time spent up to now is 47.9 secs Computing kpt #: 307 total cpu time spent up to now is 48.1 secs Computing kpt #: 308 total cpu time spent up to now is 48.2 secs Computing kpt #: 309 total cpu time spent up to now is 48.3 secs Computing kpt #: 310 total cpu time spent up to now is 48.4 secs Computing kpt #: 311 total cpu time spent up to now is 48.6 secs Computing kpt #: 312 total cpu time spent up to now is 48.7 secs Computing kpt #: 313 total cpu time spent up to now is 48.9 secs Computing kpt #: 314 total cpu time spent up to now is 49.0 secs Computing kpt #: 315 total cpu time spent up to now is 49.1 secs Computing kpt #: 316 total cpu time spent up to now is 49.2 secs Computing kpt #: 317 total cpu time spent up to now is 49.3 secs Computing kpt #: 318 total cpu time spent up to now is 49.4 secs Computing kpt #: 319 total cpu time spent up to now is 49.6 secs Computing kpt #: 320 total cpu time spent up to now is 49.7 secs Computing kpt #: 321 total cpu time spent up to now is 49.8 secs Computing kpt #: 322 total cpu time spent up to now is 49.9 secs Computing kpt #: 323 total cpu time spent up to now is 50.0 secs Computing kpt #: 324 total cpu time spent up to now is 50.1 secs Computing kpt #: 325 total cpu time spent up to now is 50.3 secs Computing kpt #: 326 total cpu time spent up to now is 50.4 secs Computing kpt #: 327 total cpu time spent up to now is 50.5 secs Computing kpt #: 328 total cpu time spent up to now is 50.6 secs Computing kpt #: 329 total cpu time spent up to now is 50.7 secs Computing kpt #: 330 total cpu time spent up to now is 50.8 secs Computing kpt #: 331 total cpu time spent up to now is 51.0 secs Computing kpt #: 332 total cpu time spent up to now is 51.1 secs Computing kpt #: 333 total cpu time spent up to now is 51.2 secs Computing kpt #: 334 total cpu time spent up to now is 51.3 secs Computing kpt #: 335 total cpu time spent up to now is 51.4 secs Computing kpt #: 336 total cpu time spent up to now is 51.5 secs Computing kpt #: 337 total cpu time spent up to now is 51.7 secs Computing kpt #: 338 total cpu time spent up to now is 51.8 secs Computing kpt #: 339 total cpu time spent up to now is 51.9 secs Computing kpt #: 340 total cpu time spent up to now is 52.0 secs Computing kpt #: 341 total cpu time spent up to now is 52.1 secs Computing kpt #: 342 total cpu time spent up to now is 52.2 secs Computing kpt #: 343 total cpu time spent up to now is 52.3 secs Computing kpt #: 344 total cpu time spent up to now is 52.5 secs Computing kpt #: 345 total cpu time spent up to now is 52.6 secs Computing kpt #: 346 total cpu time spent up to now is 52.7 secs Computing kpt #: 347 total cpu time spent up to now is 52.8 secs Computing kpt #: 348 total cpu time spent up to now is 52.9 secs Computing kpt #: 349 total cpu time spent up to now is 53.0 secs Computing kpt #: 350 total cpu time spent up to now is 53.2 secs Computing kpt #: 351 total cpu time spent up to now is 53.3 secs Computing kpt #: 352 total cpu time spent up to now is 53.4 secs Computing kpt #: 353 total cpu time spent up to now is 53.5 secs Computing kpt #: 354 total cpu time spent up to now is 53.6 secs Computing kpt #: 355 total cpu time spent up to now is 53.7 secs Computing kpt #: 356 total cpu time spent up to now is 53.9 secs Computing kpt #: 357 total cpu time spent up to now is 54.0 secs Computing kpt #: 358 total cpu time spent up to now is 54.1 secs Computing kpt #: 359 total cpu time spent up to now is 54.2 secs Computing kpt #: 360 total cpu time spent up to now is 54.4 secs Computing kpt #: 361 total cpu time spent up to now is 54.5 secs Computing kpt #: 362 total cpu time spent up to now is 54.6 secs Computing kpt #: 363 total cpu time spent up to now is 54.7 secs Computing kpt #: 364 total cpu time spent up to now is 54.9 secs Computing kpt #: 365 total cpu time spent up to now is 55.0 secs Computing kpt #: 366 total cpu time spent up to now is 55.2 secs Computing kpt #: 367 total cpu time spent up to now is 55.4 secs ethr = 4.55E-08, avg # of iterations = 16.1 total cpu time spent up to now is 55.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1797 PWs) bands (ev): -33.2018 -33.2018 -33.1298 -33.1298 -14.1896 -14.1896 -13.9326 -13.9326 -12.8523 -12.8523 -12.5631 -12.5631 -12.4712 -12.4712 -12.4402 -12.4402 4.8200 4.8200 7.6160 7.6160 10.3188 10.3188 11.1695 11.1695 11.2373 11.2373 11.4972 11.4972 11.7613 11.7613 k = 0.0100 0.0058-0.0000 ( 1797 PWs) bands (ev): -33.2018 -33.2018 -33.1298 -33.1298 -14.1896 -14.1896 -13.9328 -13.9328 -12.8524 -12.8524 -12.5633 -12.5633 -12.4715 -12.4715 -12.4403 -12.4403 4.8221 4.8221 7.6181 7.6181 10.3166 10.3166 11.1659 11.1659 11.2338 11.2338 11.5047 11.5047 11.7609 11.7609 k = 0.0200 0.0115-0.0000 ( 1797 PWs) bands (ev): -33.2016 -33.2016 -33.1297 -33.1297 -14.1896 -14.1896 -13.9333 -13.9333 -12.8524 -12.8524 -12.5640 -12.5640 -12.4723 -12.4723 -12.4407 -12.4407 4.8285 4.8285 7.6241 7.6241 10.3099 10.3099 11.1515 11.1515 11.2290 11.2290 11.5248 11.5248 11.7591 11.7591 k = 0.0300 0.0173-0.0000 ( 1797 PWs) bands (ev): -33.2014 -33.2014 -33.1296 -33.1296 -14.1897 -14.1897 -13.9342 -13.9342 -12.8524 -12.8524 -12.5651 -12.5651 -12.4736 -12.4736 -12.4414 -12.4414 4.8391 4.8391 7.6342 7.6342 10.2988 10.2988 11.1228 11.1228 11.2311 11.2311 11.5532 11.5532 11.7541 11.7542 k = 0.0400 0.0231-0.0000 ( 1803 PWs) bands (ev): -33.2011 -33.2011 -33.1295 -33.1295 -14.1898 -14.1898 -13.9355 -13.9355 -12.8525 -12.8525 -12.5667 -12.5667 -12.4755 -12.4755 -12.4423 -12.4423 4.8539 4.8539 7.6483 7.6483 10.2834 10.2834 11.0826 11.0826 11.2409 11.2409 11.5860 11.5860 11.7442 11.7442 k = 0.0500 0.0289-0.0000 ( 1807 PWs) bands (ev): -33.2007 -33.2007 -33.1294 -33.1294 -14.1899 -14.1899 -13.9370 -13.9370 -12.8525 -12.8525 -12.5686 -12.5686 -12.4780 -12.4780 -12.4434 -12.4434 4.8729 4.8729 7.6664 7.6664 10.2639 10.2639 11.0352 11.0352 11.2565 11.2565 11.6205 11.6205 11.7291 11.7291 k = 0.0600 0.0346-0.0000 ( 1807 PWs) bands (ev): -33.2001 -33.2001 -33.1292 -33.1292 -14.1901 -14.1901 -13.9389 -13.9389 -12.8526 -12.8526 -12.5710 -12.5710 -12.4810 -12.4810 -12.4447 -12.4447 4.8960 4.8960 7.6882 7.6882 10.2404 10.2404 10.9828 10.9828 11.2769 11.2769 11.6522 11.6522 11.7125 11.7125 k = 0.0700 0.0404-0.0000 ( 1812 PWs) bands (ev): -33.1995 -33.1995 -33.1290 -33.1290 -14.1902 -14.1902 -13.9412 -13.9412 -12.8527 -12.8527 -12.5738 -12.5738 -12.4846 -12.4846 -12.4461 -12.4461 4.9233 4.9233 7.7139 7.7139 10.2130 10.2130 10.9269 10.9269 11.3017 11.3017 11.6598 11.6599 11.7160 11.7160 k = 0.0800 0.0462-0.0000 ( 1818 PWs) bands (ev): -33.1988 -33.1988 -33.1288 -33.1288 -14.1904 -14.1904 -13.9438 -13.9438 -12.8528 -12.8528 -12.5770 -12.5770 -12.4888 -12.4888 -12.4478 -12.4478 4.9545 4.9545 7.7431 7.7431 10.1822 10.1822 10.8682 10.8682 11.3307 11.3307 11.6358 11.6358 11.7474 11.7474 k = 0.0900 0.0520-0.0000 ( 1818 PWs) bands (ev): -33.1980 -33.1980 -33.1285 -33.1285 -14.1907 -14.1907 -13.9467 -13.9467 -12.8529 -12.8529 -12.5806 -12.5806 -12.4935 -12.4935 -12.4495 -12.4495 4.9898 4.9898 7.7759 7.7759 10.1480 10.1480 10.8073 10.8073 11.3636 11.3636 11.6023 11.6023 11.7847 11.7847 k = 0.1000 0.0577-0.0000 ( 1824 PWs) bands (ev): -33.1971 -33.1971 -33.1282 -33.1282 -14.1910 -14.1910 -13.9499 -13.9499 -12.8529 -12.8529 -12.5845 -12.5845 -12.4988 -12.4988 -12.4514 -12.4514 5.0290 5.0290 7.8120 7.8120 10.1108 10.1108 10.7447 10.7447 11.4004 11.4004 11.5645 11.5645 11.8222 11.8222 k = 0.1100 0.0635-0.0000 ( 1824 PWs) bands (ev): -33.1961 -33.1961 -33.1279 -33.1279 -14.1913 -14.1913 -13.9535 -13.9535 -12.8530 -12.8530 -12.5887 -12.5887 -12.5046 -12.5046 -12.4534 -12.4534 5.0721 5.0721 7.8513 7.8513 10.0708 10.0708 10.6807 10.6807 11.4411 11.4411 11.5238 11.5238 11.8551 11.8551 k = 0.1200 0.0693-0.0000 ( 1828 PWs) bands (ev): -33.1950 -33.1950 -33.1275 -33.1275 -14.1916 -14.1916 -13.9573 -13.9573 -12.8531 -12.8531 -12.5932 -12.5932 -12.5110 -12.5110 -12.4555 -12.4555 5.1189 5.1189 7.8935 7.8935 10.0284 10.0284 10.6158 10.6158 11.4802 11.4802 11.4862 11.4862 11.8648 11.8648 k = 0.1300 0.0751-0.0000 ( 1828 PWs) bands (ev): -33.1939 -33.1939 -33.1272 -33.1272 -14.1920 -14.1920 -13.9614 -13.9614 -12.8531 -12.8531 -12.5979 -12.5979 -12.5178 -12.5178 -12.4577 -12.4577 5.1694 5.1694 7.9384 7.9384 9.9838 9.9838 10.5502 10.5502 11.4362 11.4362 11.5339 11.5339 11.8383 11.8383 k = 0.1400 0.0808-0.0000 ( 1826 PWs) bands (ev): -33.1926 -33.1926 -33.1267 -33.1267 -14.1924 -14.1924 -13.9658 -13.9658 -12.8532 -12.8532 -12.6029 -12.6029 -12.5250 -12.5250 -12.4600 -12.4600 5.2235 5.2235 7.9856 7.9856 9.9372 9.9372 10.4844 10.4844 11.3905 11.3905 11.5857 11.5857 11.7990 11.7991 k = 0.1500 0.0866-0.0000 ( 1826 PWs) bands (ev): -33.1913 -33.1913 -33.1263 -33.1263 -14.1928 -14.1928 -13.9705 -13.9705 -12.8532 -12.8532 -12.6081 -12.6081 -12.5326 -12.5326 -12.4625 -12.4625 5.2810 5.2810 8.0350 8.0350 9.8890 9.8890 10.4186 10.4186 11.3443 11.3443 11.6408 11.6408 11.7569 11.7569 k = 0.1600 0.0924-0.0000 ( 1830 PWs) bands (ev): -33.1900 -33.1900 -33.1259 -33.1259 -14.1933 -14.1933 -13.9754 -13.9754 -12.8532 -12.8532 -12.6134 -12.6134 -12.5407 -12.5407 -12.4650 -12.4650 5.3419 5.3419 8.0860 8.0860 9.8395 9.8395 10.3531 10.3531 11.2980 11.2980 11.6938 11.6938 11.7195 11.7195 k = 0.1700 0.0981-0.0000 ( 1828 PWs) bands (ev): -33.1885 -33.1885 -33.1255 -33.1255 -14.1938 -14.1938 -13.9805 -13.9805 -12.8531 -12.8531 -12.6189 -12.6189 -12.5490 -12.5490 -12.4677 -12.4677 5.4060 5.4060 8.1384 8.1384 9.7889 9.7889 10.2884 10.2884 11.2521 11.2521 11.6669 11.6669 11.7642 11.7642 k = 0.1800 0.1039-0.0000 ( 1834 PWs) bands (ev): -33.1871 -33.1871 -33.1250 -33.1250 -14.1943 -14.1943 -13.9859 -13.9859 -12.8530 -12.8530 -12.6245 -12.6245 -12.5577 -12.5577 -12.4705 -12.4705 5.4732 5.4732 8.1915 8.1915 9.7374 9.7374 10.2248 10.2248 11.2072 11.2072 11.6239 11.6239 11.7456 11.7456 k = 0.1900 0.1097-0.0000 ( 1832 PWs) bands (ev): -33.1855 -33.1855 -33.1246 -33.1246 -14.1949 -14.1949 -13.9915 -13.9915 -12.8529 -12.8529 -12.6302 -12.6302 -12.5666 -12.5666 -12.4733 -12.4733 5.5433 5.5433 8.2448 8.2448 9.6854 9.6854 10.1625 10.1625 11.1638 11.1638 11.5808 11.5808 11.7045 11.7045 k = 0.2000 0.1155-0.0000 ( 1838 PWs) bands (ev): -33.1840 -33.1840 -33.1242 -33.1242 -14.1955 -14.1955 -13.9973 -13.9973 -12.8528 -12.8528 -12.6359 -12.6359 -12.5758 -12.5758 -12.4763 -12.4763 5.6163 5.6163 8.2978 8.2978 9.6331 9.6331 10.1020 10.1020 11.1225 11.1225 11.5382 11.5382 11.6634 11.6634 k = 0.2100 0.1212-0.0000 ( 1834 PWs) bands (ev): -33.1823 -33.1823 -33.1237 -33.1237 -14.1961 -14.1961 -14.0032 -14.0032 -12.8526 -12.8526 -12.6417 -12.6417 -12.5851 -12.5851 -12.4793 -12.4793 5.6918 5.6918 8.3496 8.3496 9.5806 9.5806 10.0436 10.0436 11.0838 11.0838 11.4962 11.4962 11.6226 11.6226 k = 0.2200 0.1270-0.0000 ( 1838 PWs) bands (ev): -33.1807 -33.1807 -33.1232 -33.1232 -14.1967 -14.1967 -14.0093 -14.0093 -12.8523 -12.8523 -12.6474 -12.6474 -12.5946 -12.5946 -12.4824 -12.4824 5.7698 5.7698 8.3997 8.3997 9.5282 9.5282 9.9877 9.9877 11.0483 11.0483 11.4551 11.4551 11.5821 11.5821 k = 0.2300 0.1328-0.0000 ( 1838 PWs) bands (ev): -33.1790 -33.1790 -33.1228 -33.1228 -14.1974 -14.1974 -14.0156 -14.0156 -12.8520 -12.8520 -12.6530 -12.6530 -12.6042 -12.6042 -12.4856 -12.4856 5.8501 5.8501 8.4472 8.4472 9.4761 9.4761 9.9345 9.9345 11.0165 11.0165 11.4148 11.4148 11.5423 11.5423 k = 0.2400 0.1386-0.0000 ( 1838 PWs) bands (ev): -33.1772 -33.1772 -33.1223 -33.1223 -14.1980 -14.1980 -14.0219 -14.0219 -12.8517 -12.8517 -12.6585 -12.6585 -12.6139 -12.6139 -12.4889 -12.4889 5.9324 5.9324 8.4912 8.4912 9.4245 9.4245 9.8843 9.8843 10.9892 10.9892 11.3756 11.3756 11.5030 11.5031 k = 0.2500 0.1443-0.0000 ( 1842 PWs) bands (ev): -33.1755 -33.1755 -33.1220 -33.1220 -14.1987 -14.1987 -14.0284 -14.0284 -12.8513 -12.8513 -12.6640 -12.6640 -12.6236 -12.6236 -12.4922 -12.4922 6.0167 6.0167 8.5310 8.5310 9.3736 9.3736 9.8375 9.8375 10.9668 10.9668 11.3374 11.3374 11.4646 11.4646 k = 0.2600 0.1501-0.0000 ( 1842 PWs) bands (ev): -33.1737 -33.1737 -33.1216 -33.1216 -14.1993 -14.1993 -14.0349 -14.0349 -12.8509 -12.8509 -12.6693 -12.6693 -12.6334 -12.6334 -12.4956 -12.4956 6.1025 6.1025 8.5656 8.5656 9.3235 9.3235 9.7942 9.7942 10.9500 10.9500 11.3004 11.3004 11.4271 11.4271 k = 0.2700 0.1559-0.0000 ( 1838 PWs) bands (ev): -33.1719 -33.1719 -33.1212 -33.1212 -14.2000 -14.2000 -14.0415 -14.0415 -12.8504 -12.8504 -12.6744 -12.6744 -12.6431 -12.6431 -12.4990 -12.4990 6.1898 6.1898 8.5945 8.5945 9.2744 9.2744 9.7544 9.7544 10.9391 10.9391 11.2646 11.2646 11.3906 11.3906 k = 0.2800 0.1617-0.0000 ( 1838 PWs) bands (ev): -33.1701 -33.1701 -33.1208 -33.1208 -14.2006 -14.2006 -14.0481 -14.0481 -12.8499 -12.8499 -12.6793 -12.6793 -12.6528 -12.6528 -12.5025 -12.5025 6.2783 6.2783 8.6171 8.6171 9.2264 9.2264 9.7182 9.7182 10.9347 10.9347 11.2301 11.2301 11.3552 11.3552 k = 0.2900 0.1674-0.0000 ( 1838 PWs) bands (ev): -33.1683 -33.1683 -33.1205 -33.1205 -14.2013 -14.2013 -14.0547 -14.0547 -12.8493 -12.8493 -12.6839 -12.6839 -12.6624 -12.6624 -12.5059 -12.5059 6.3677 6.3677 8.6331 8.6331 9.1797 9.1797 9.6854 9.6854 10.9369 10.9369 11.1969 11.1969 11.3210 11.3210 k = 0.3000 0.1732-0.0000 ( 1838 PWs) bands (ev): -33.1665 -33.1665 -33.1201 -33.1201 -14.2018 -14.2018 -14.0613 -14.0613 -12.8487 -12.8487 -12.6884 -12.6884 -12.6718 -12.6718 -12.5094 -12.5094 6.4578 6.4578 8.6425 8.6425 9.1344 9.1344 9.6556 9.6556 10.9456 10.9456 11.1651 11.1651 11.2880 11.2880 k = 0.3100 0.1790-0.0000 ( 1840 PWs) bands (ev): -33.1648 -33.1648 -33.1199 -33.1199 -14.2024 -14.2024 -14.0679 -14.0679 -12.8480 -12.8480 -12.6926 -12.6926 -12.6812 -12.6812 -12.5129 -12.5129 6.5482 6.5482 8.6456 8.6456 9.0907 9.0907 9.6285 9.6285 10.9607 10.9607 11.1350 11.1350 11.2565 11.2565 k = 0.3200 0.1848-0.0000 ( 1852 PWs) bands (ev): -33.1631 -33.1631 -33.1197 -33.1197 -14.2029 -14.2029 -14.0744 -14.0744 -12.8472 -12.8472 -12.6965 -12.6965 -12.6903 -12.6903 -12.5164 -12.5164 6.6388 6.6388 8.6427 8.6427 9.0485 9.0485 9.6035 9.6035 10.9813 10.9813 11.1066 11.1066 11.2266 11.2266 k = 0.3300 0.1905-0.0000 ( 1854 PWs) bands (ev): -33.1614 -33.1614 -33.1195 -33.1195 -14.2033 -14.2033 -14.0808 -14.0808 -12.8464 -12.8464 -12.7006 -12.7006 -12.6989 -12.6989 -12.5198 -12.5198 6.7290 6.7290 8.6347 8.6347 9.0082 9.0082 9.5802 9.5802 11.0056 11.0056 11.0811 11.0811 11.1985 11.1985 k = 0.3400 0.1963-0.0000 ( 1850 PWs) bands (ev): -33.1596 -33.1596 -33.1193 -33.1193 -14.2036 -14.2036 -14.0871 -14.0871 -12.8455 -12.8455 -12.7084 -12.7084 -12.7032 -12.7032 -12.5231 -12.5231 6.8188 6.8188 8.6221 8.6221 8.9696 8.9696 9.5582 9.5582 11.0254 11.0254 11.0653 11.0653 11.1730 11.1730 k = 0.3500 0.2021-0.0000 ( 1838 PWs) bands (ev): -33.1579 -33.1579 -33.1191 -33.1191 -14.2039 -14.2039 -14.0933 -14.0933 -12.8446 -12.8446 -12.7169 -12.7169 -12.7063 -12.7063 -12.5265 -12.5265 6.9076 6.9076 8.6058 8.6058 8.9330 8.9330 9.5372 9.5372 11.0176 11.0176 11.0785 11.0785 11.1529 11.1529 k = 0.3600 0.2078-0.0000 ( 1842 PWs) bands (ev): -33.1563 -33.1563 -33.1190 -33.1190 -14.2041 -14.2041 -14.0993 -14.0993 -12.8436 -12.8436 -12.7252 -12.7252 -12.7090 -12.7090 -12.5297 -12.5297 6.9951 6.9951 8.5864 8.5864 8.8984 8.8984 9.5171 9.5171 10.9976 10.9976 11.0915 11.0915 11.1512 11.1512 k = 0.3700 0.2136-0.0000 ( 1844 PWs) bands (ev): -33.1547 -33.1547 -33.1189 -33.1189 -14.2042 -14.2042 -14.1052 -14.1052 -12.8425 -12.8425 -12.7333 -12.7333 -12.7114 -12.7114 -12.5328 -12.5328 7.0810 7.0810 8.5646 8.5646 8.8659 8.8659 9.4976 9.4976 10.9769 10.9769 11.0815 11.0815 11.1779 11.1779 k = 0.3800 0.2194-0.0000 ( 1840 PWs) bands (ev): -33.1532 -33.1532 -33.1189 -33.1189 -14.2042 -14.2042 -14.1108 -14.1108 -12.8413 -12.8413 -12.7410 -12.7410 -12.7136 -12.7136 -12.5358 -12.5358 7.1649 7.1649 8.5411 8.5411 8.8356 8.8356 9.4788 9.4788 10.9572 10.9572 11.0638 11.0638 11.2153 11.2153 k = 0.3900 0.2252-0.0000 ( 1844 PWs) bands (ev): -33.1518 -33.1518 -33.1189 -33.1189 -14.2041 -14.2041 -14.1162 -14.1162 -12.8400 -12.8400 -12.7485 -12.7485 -12.7154 -12.7154 -12.5387 -12.5387 7.2463 7.2463 8.5162 8.5162 8.8074 8.8074 9.4607 9.4607 10.9388 10.9388 11.0454 11.0454 11.2548 11.2548 k = 0.4000 0.2309-0.0000 ( 1844 PWs) bands (ev): -33.1504 -33.1504 -33.1189 -33.1189 -14.2039 -14.2039 -14.1213 -14.1213 -12.8385 -12.8385 -12.7557 -12.7557 -12.7170 -12.7170 -12.5414 -12.5414 7.3249 7.3249 8.4905 8.4905 8.7815 8.7815 9.4435 9.4435 10.9219 10.9219 11.0280 11.0280 11.2941 11.2941 k = 0.4100 0.2367-0.0000 ( 1840 PWs) bands (ev): -33.1491 -33.1491 -33.1189 -33.1189 -14.2037 -14.2037 -14.1262 -14.1262 -12.8370 -12.8370 -12.7625 -12.7625 -12.7184 -12.7184 -12.5439 -12.5439 7.4001 7.4001 8.4642 8.4642 8.7580 8.7580 9.4272 9.4272 10.9065 10.9065 11.0118 11.0118 11.3317 11.3317 k = 0.4200 0.2425-0.0000 ( 1840 PWs) bands (ev): -33.1480 -33.1480 -33.1190 -33.1190 -14.2033 -14.2033 -14.1307 -14.1307 -12.8353 -12.8353 -12.7691 -12.7691 -12.7195 -12.7195 -12.5462 -12.5462 7.4715 7.4715 8.4376 8.4376 8.7368 8.7368 9.4121 9.4121 10.8927 10.8927 10.9972 10.9972 11.3668 11.3668 k = 0.4300 0.2483-0.0000 ( 1844 PWs) bands (ev): -33.1469 -33.1469 -33.1191 -33.1191 -14.2029 -14.2029 -14.1348 -14.1348 -12.8334 -12.8334 -12.7752 -12.7752 -12.7205 -12.7205 -12.5483 -12.5483 7.5384 7.5384 8.4111 8.4111 8.7180 8.7180 9.3983 9.3983 10.8805 10.8805 10.9841 10.9841 11.3988 11.3988 k = 0.4400 0.2540-0.0000 ( 1848 PWs) bands (ev): -33.1460 -33.1460 -33.1192 -33.1192 -14.2024 -14.2024 -14.1386 -14.1386 -12.8314 -12.8314 -12.7810 -12.7810 -12.7212 -12.7212 -12.5502 -12.5502 7.6003 7.6003 8.3852 8.3852 8.7016 8.7016 9.3859 9.3859 10.8698 10.8698 10.9728 10.9728 11.4272 11.4272 k = 0.4500 0.2598-0.0000 ( 1850 PWs) bands (ev): -33.1451 -33.1451 -33.1193 -33.1193 -14.2019 -14.2019 -14.1419 -14.1419 -12.8293 -12.8293 -12.7864 -12.7864 -12.7218 -12.7218 -12.5518 -12.5518 7.6563 7.6563 8.3602 8.3602 8.6877 8.6877 9.3751 9.3751 10.8608 10.8608 10.9631 10.9631 11.4516 11.4516 k = 0.4600 0.2656-0.0000 ( 1846 PWs) bands (ev): -33.1444 -33.1444 -33.1194 -33.1194 -14.2014 -14.2014 -14.1447 -14.1447 -12.8270 -12.8270 -12.7913 -12.7913 -12.7223 -12.7223 -12.5531 -12.5531 7.7054 7.7054 8.3370 8.3370 8.6763 8.6763 9.3660 9.3660 10.8534 10.8534 10.9551 10.9551 11.4717 11.4717 k = 0.4700 0.2714-0.0000 ( 1846 PWs) bands (ev): -33.1439 -33.1439 -33.1195 -33.1195 -14.2010 -14.2010 -14.1470 -14.1470 -12.8247 -12.8247 -12.7957 -12.7957 -12.7226 -12.7226 -12.5542 -12.5542 7.7464 7.7464 8.3165 8.3165 8.6674 8.6674 9.3588 9.3588 10.8477 10.8477 10.9489 10.9489 11.4875 11.4875 k = 0.4800 0.2771-0.0000 ( 1846 PWs) bands (ev): -33.1435 -33.1435 -33.1195 -33.1195 -14.2006 -14.2006 -14.1486 -14.1486 -12.8225 -12.8225 -12.7994 -12.7994 -12.7229 -12.7229 -12.5550 -12.5550 7.7775 7.7775 8.3001 8.3001 8.6611 8.6611 9.3536 9.3536 10.8436 10.8436 10.9445 10.9445 11.4988 11.4988 k = 0.4900 0.2829-0.0000 ( 1854 PWs) bands (ev): -33.1432 -33.1432 -33.1196 -33.1196 -14.2004 -14.2004 -14.1496 -14.1496 -12.8208 -12.8208 -12.8020 -12.8020 -12.7230 -12.7230 -12.5554 -12.5554 7.7972 7.7972 8.2893 8.2893 8.6573 8.6573 9.3504 9.3504 10.8411 10.8411 10.9419 10.9419 11.5056 11.5056 k = 0.5000 0.2887-0.0000 ( 1866 PWs) bands (ev): -33.1432 -33.1432 -33.1197 -33.1197 -14.2003 -14.2003 -14.1500 -14.1500 -12.8201 -12.8201 -12.8030 -12.8030 -12.7231 -12.7231 -12.5556 -12.5556 7.8040 7.8040 8.2856 8.2856 8.6560 8.6560 9.3494 9.3494 10.8403 10.8403 10.9410 10.9410 11.5079 11.5079 k = 0.5000 0.2887-0.0000 ( 1866 PWs) bands (ev): -33.1432 -33.1432 -33.1197 -33.1197 -14.2003 -14.2003 -14.1500 -14.1500 -12.8201 -12.8201 -12.8030 -12.8030 -12.7231 -12.7231 -12.5556 -12.5556 7.8040 7.8040 8.2856 8.2856 8.6560 8.6560 9.3494 9.3494 10.8403 10.8403 10.9410 10.9410 11.5079 11.5079 k = 0.4943 0.2986-0.0000 ( 1858 PWs) bands (ev): -33.1432 -33.1432 -33.1196 -33.1196 -14.2003 -14.2003 -14.1500 -14.1500 -12.8200 -12.8200 -12.8030 -12.8030 -12.7232 -12.7232 -12.5558 -12.5558 7.8059 7.8059 8.2875 8.2875 8.6564 8.6564 9.3485 9.3485 10.8397 10.8397 10.9393 10.9393 11.5083 11.5083 k = 0.4885 0.3086-0.0000 ( 1858 PWs) bands (ev): -33.1431 -33.1431 -33.1196 -33.1196 -14.2002 -14.2002 -14.1501 -14.1501 -12.8196 -12.8196 -12.8030 -12.8030 -12.7236 -12.7236 -12.5565 -12.5565 7.8115 7.8115 8.2933 8.2933 8.6576 8.6576 9.3457 9.3457 10.8381 10.8381 10.9344 10.9344 11.5095 11.5095 k = 0.4828 0.3185-0.0000 ( 1858 PWs) bands (ev): -33.1430 -33.1430 -33.1196 -33.1196 -14.2002 -14.2002 -14.1503 -14.1503 -12.8190 -12.8190 -12.8030 -12.8030 -12.7243 -12.7243 -12.5577 -12.5577 7.8209 7.8209 8.3029 8.3029 8.6595 8.6595 9.3411 9.3411 10.8353 10.8353 10.9263 10.9263 11.5115 11.5115 k = 0.4770 0.3285-0.0000 ( 1850 PWs) bands (ev): -33.1427 -33.1427 -33.1197 -33.1197 -14.2000 -14.2000 -14.1506 -14.1506 -12.8182 -12.8182 -12.8030 -12.8030 -12.7252 -12.7252 -12.5594 -12.5594 7.8340 7.8340 8.3163 8.3163 8.6622 8.6622 9.3347 9.3347 10.8314 10.8314 10.9151 10.9151 11.5143 11.5143 k = 0.4713 0.3384-0.0000 ( 1850 PWs) bands (ev): -33.1425 -33.1425 -33.1197 -33.1197 -14.1999 -14.1999 -14.1510 -14.1510 -12.8172 -12.8172 -12.8030 -12.8030 -12.7263 -12.7263 -12.5615 -12.5615 7.8508 7.8508 8.3333 8.3333 8.6656 8.6656 9.3265 9.3265 10.8265 10.8265 10.9012 10.9012 11.5179 11.5179 k = 0.4655 0.3484-0.0000 ( 1848 PWs) bands (ev): -33.1422 -33.1422 -33.1197 -33.1197 -14.1997 -14.1997 -14.1515 -14.1515 -12.8160 -12.8160 -12.8029 -12.8029 -12.7277 -12.7277 -12.5641 -12.5641 7.8710 7.8710 8.3538 8.3538 8.6697 8.6697 9.3167 9.3167 10.8203 10.8203 10.8847 10.8847 11.5223 11.5223 k = 0.4598 0.3584-0.0000 ( 1844 PWs) bands (ev): -33.1419 -33.1419 -33.1198 -33.1198 -14.1995 -14.1995 -14.1520 -14.1520 -12.8147 -12.8147 -12.8028 -12.8028 -12.7293 -12.7293 -12.5671 -12.5671 7.8946 7.8946 8.3776 8.3776 8.6745 8.6745 9.3052 9.3052 10.8130 10.8130 10.8660 10.8660 11.5275 11.5275 k = 0.4540 0.3683-0.0000 ( 1844 PWs) bands (ev): -33.1415 -33.1415 -33.1199 -33.1199 -14.1993 -14.1993 -14.1526 -14.1526 -12.8133 -12.8133 -12.8026 -12.8026 -12.7310 -12.7310 -12.5706 -12.5706 7.9215 7.9215 8.4046 8.4046 8.6798 8.6798 9.2923 9.2923 10.8042 10.8042 10.8456 10.8456 11.5336 11.5336 k = 0.4483 0.3783-0.0000 ( 1848 PWs) bands (ev): -33.1411 -33.1411 -33.1200 -33.1200 -14.1990 -14.1990 -14.1533 -14.1533 -12.8119 -12.8119 -12.8022 -12.8022 -12.7328 -12.7328 -12.5744 -12.5744 7.9514 7.9514 8.4344 8.4344 8.6856 8.6856 9.2778 9.2778 10.7935 10.7935 10.8245 10.8245 11.5404 11.5404 k = 0.4425 0.3882-0.0000 ( 1848 PWs) bands (ev): -33.1406 -33.1406 -33.1201 -33.1201 -14.1987 -14.1987 -14.1541 -14.1541 -12.8105 -12.8105 -12.8016 -12.8016 -12.7348 -12.7348 -12.5786 -12.5786 7.9842 7.9842 8.4669 8.4669 8.6918 8.6918 9.2621 9.2621 10.7795 10.7795 10.8043 10.8043 11.5481 11.5481 k = 0.4368 0.3982-0.0000 ( 1844 PWs) bands (ev): -33.1401 -33.1401 -33.1201 -33.1201 -14.1983 -14.1983 -14.1550 -14.1550 -12.8094 -12.8094 -12.8006 -12.8006 -12.7367 -12.7367 -12.5832 -12.5832 8.0198 8.0198 8.5017 8.5017 8.6985 8.6985 9.2451 9.2451 10.7605 10.7605 10.7873 10.7873 11.5566 11.5566 k = 0.4310 0.4081-0.0000 ( 1844 PWs) bands (ev): -33.1395 -33.1395 -33.1203 -33.1203 -14.1980 -14.1980 -14.1560 -14.1560 -12.8086 -12.8086 -12.7992 -12.7992 -12.7387 -12.7387 -12.5880 -12.5880 8.0577 8.0577 8.5385 8.5385 8.7054 8.7054 9.2269 9.2269 10.7373 10.7373 10.7729 10.7729 11.5659 11.5659 k = 0.4253 0.4181-0.0000 ( 1845 PWs) bands (ev): -33.1389 -33.1389 -33.1204 -33.1204 -14.1975 -14.1975 -14.1570 -14.1570 -12.8081 -12.8081 -12.7976 -12.7976 -12.7405 -12.7405 -12.5932 -12.5932 8.0979 8.0979 8.5768 8.5768 8.7124 8.7124 9.2078 9.2078 10.7123 10.7123 10.7594 10.7594 11.5760 11.5760 k = 0.4195 0.4280-0.0000 ( 1845 PWs) bands (ev): -33.1383 -33.1383 -33.1206 -33.1206 -14.1971 -14.1971 -14.1581 -14.1581 -12.8079 -12.8079 -12.7957 -12.7957 -12.7421 -12.7421 -12.5987 -12.5987 8.1400 8.1400 8.6163 8.6163 8.7196 8.7196 9.1877 9.1877 10.6868 10.6868 10.7458 10.7458 11.5870 11.5870 k = 0.4138 0.4380-0.0000 ( 1841 PWs) bands (ev): -33.1376 -33.1376 -33.1208 -33.1208 -14.1966 -14.1966 -14.1593 -14.1593 -12.8078 -12.8078 -12.7938 -12.7938 -12.7433 -12.7433 -12.6043 -12.6043 8.1838 8.1838 8.6564 8.6564 8.7268 8.7268 9.1669 9.1669 10.6615 10.6615 10.7320 10.7320 11.5988 11.5988 k = 0.4080 0.4479-0.0000 ( 1839 PWs) bands (ev): -33.1370 -33.1370 -33.1210 -33.1210 -14.1960 -14.1960 -14.1606 -14.1606 -12.8078 -12.8078 -12.7920 -12.7920 -12.7442 -12.7442 -12.6102 -12.6102 8.2289 8.2289 8.6964 8.6964 8.7342 8.7342 9.1454 9.1454 10.6370 10.6370 10.7177 10.7177 11.6113 11.6113 k = 0.4023 0.4579-0.0000 ( 1843 PWs) bands (ev): -33.1363 -33.1363 -33.1212 -33.1212 -14.1954 -14.1954 -14.1620 -14.1620 -12.8079 -12.8079 -12.7905 -12.7905 -12.7445 -12.7445 -12.6163 -12.6163 8.2750 8.2750 8.7327 8.7327 8.7447 8.7447 9.1233 9.1233 10.6136 10.6136 10.7031 10.7031 11.6246 11.6246 k = 0.3966 0.4679-0.0000 ( 1837 PWs) bands (ev): -33.1355 -33.1355 -33.1215 -33.1215 -14.1947 -14.1947 -14.1634 -14.1634 -12.8081 -12.8081 -12.7893 -12.7893 -12.7441 -12.7441 -12.6225 -12.6225 8.3219 8.3219 8.7452 8.7452 8.7776 8.7776 9.1007 9.1007 10.5918 10.5918 10.6881 10.6881 11.6386 11.6386 k = 0.3908 0.4778-0.0000 ( 1835 PWs) bands (ev): -33.1347 -33.1347 -33.1218 -33.1218 -14.1940 -14.1940 -14.1649 -14.1649 -12.8083 -12.8083 -12.7886 -12.7886 -12.7430 -12.7430 -12.6288 -12.6288 8.3691 8.3691 8.7517 8.7517 8.8147 8.8147 9.0777 9.0777 10.5720 10.5720 10.6729 10.6729 11.6531 11.6531 k = 0.3851 0.4878-0.0000 ( 1835 PWs) bands (ev): -33.1340 -33.1340 -33.1221 -33.1221 -14.1932 -14.1932 -14.1664 -14.1664 -12.8085 -12.8085 -12.7882 -12.7882 -12.7411 -12.7411 -12.6352 -12.6352 8.4163 8.4163 8.7572 8.7572 8.8500 8.8500 9.0543 9.0543 10.5543 10.5543 10.6576 10.6576 11.6681 11.6681 k = 0.3793 0.4977-0.0000 ( 1831 PWs) bands (ev): -33.1332 -33.1332 -33.1225 -33.1225 -14.1923 -14.1923 -14.1680 -14.1680 -12.8088 -12.8088 -12.7882 -12.7882 -12.7386 -12.7386 -12.6416 -12.6416 8.4632 8.4632 8.7621 8.7621 8.8825 8.8825 9.0309 9.0309 10.5391 10.5391 10.6422 10.6422 11.6832 11.6832 k = 0.3736 0.5077-0.0000 ( 1829 PWs) bands (ev): -33.1324 -33.1324 -33.1229 -33.1229 -14.1914 -14.1914 -14.1697 -14.1697 -12.8092 -12.8092 -12.7885 -12.7885 -12.7355 -12.7355 -12.6479 -12.6479 8.5096 8.5096 8.7663 8.7663 8.9114 8.9114 9.0075 9.0075 10.5266 10.5266 10.6269 10.6269 11.6983 11.6983 k = 0.3678 0.5176-0.0000 ( 1829 PWs) bands (ev): -33.1316 -33.1316 -33.1233 -33.1233 -14.1904 -14.1904 -14.1713 -14.1713 -12.8095 -12.8095 -12.7889 -12.7889 -12.7319 -12.7319 -12.6542 -12.6542 8.5549 8.5549 8.7698 8.7698 8.9347 8.9347 8.9857 8.9857 10.5170 10.5170 10.6118 10.6118 11.7130 11.7130 k = 0.3621 0.5276-0.0000 ( 1831 PWs) bands (ev): -33.1308 -33.1308 -33.1238 -33.1238 -14.1893 -14.1893 -14.1731 -14.1731 -12.8099 -12.8099 -12.7893 -12.7893 -12.7280 -12.7280 -12.6603 -12.6603 8.5991 8.5991 8.7725 8.7725 8.9422 8.9422 8.9751 8.9751 10.5105 10.5105 10.5970 10.5970 11.7270 11.7270 k = 0.3563 0.5375-0.0000 ( 1835 PWs) bands (ev): -33.1300 -33.1300 -33.1244 -33.1244 -14.1881 -14.1881 -14.1748 -14.1748 -12.8103 -12.8103 -12.7897 -12.7897 -12.7240 -12.7240 -12.6661 -12.6661 8.6415 8.6415 8.7746 8.7746 8.9244 8.9244 8.9851 8.9851 10.5070 10.5070 10.5826 10.5826 11.7397 11.7397 k = 0.3506 0.5475-0.0000 ( 1835 PWs) bands (ev): -33.1292 -33.1292 -33.1250 -33.1250 -14.1867 -14.1867 -14.1766 -14.1766 -12.8107 -12.8107 -12.7901 -12.7901 -12.7201 -12.7201 -12.6714 -12.6714 8.6820 8.6820 8.7761 8.7761 8.8998 8.8998 8.9968 8.9968 10.5067 10.5067 10.5690 10.5690 11.7506 11.7506 k = 0.3448 0.5574-0.0000 ( 1835 PWs) bands (ev): -33.1285 -33.1285 -33.1256 -33.1256 -14.1853 -14.1853 -14.1784 -14.1784 -12.8110 -12.8110 -12.7903 -12.7903 -12.7166 -12.7166 -12.6759 -12.6759 8.7195 8.7195 8.7771 8.7771 8.8738 8.8738 9.0053 9.0053 10.5092 10.5092 10.5563 10.5563 11.7591 11.7591 k = 0.3391 0.5674-0.0000 ( 1831 PWs) bands (ev): -33.1277 -33.1277 -33.1262 -33.1262 -14.1838 -14.1838 -14.1801 -14.1801 -12.8112 -12.8112 -12.7904 -12.7904 -12.7140 -12.7140 -12.6790 -12.6790 8.7516 8.7516 8.7775 8.7775 8.8489 8.8489 9.0101 9.0101 10.5138 10.5138 10.5456 10.5456 11.7647 11.7647 k = 0.3333 0.5774-0.0000 ( 1839 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1825 -14.1825 -14.1815 -14.1815 -12.8112 -12.8112 -12.7905 -12.7905 -12.7131 -12.7131 -12.6802 -12.6802 8.7676 8.7676 8.7776 8.7776 8.8355 8.8355 9.0116 9.0116 10.5171 10.5171 10.5403 10.5403 11.7667 11.7667 k = 0.3333 0.5774-0.0000 ( 1839 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1825 -14.1825 -14.1815 -14.1815 -12.8112 -12.8112 -12.7905 -12.7905 -12.7131 -12.7131 -12.6802 -12.6802 8.7676 8.7676 8.7776 8.7776 8.8355 8.8355 9.0116 9.0116 10.5171 10.5171 10.5403 10.5403 11.7667 11.7667 k = 0.3276 0.5674-0.0000 ( 1835 PWs) bands (ev): -33.1277 -33.1277 -33.1262 -33.1262 -14.1838 -14.1838 -14.1801 -14.1801 -12.8112 -12.8112 -12.7904 -12.7904 -12.7140 -12.7140 -12.6790 -12.6790 8.7511 8.7511 8.7775 8.7775 8.8492 8.8492 9.0104 9.0104 10.5131 10.5131 10.5464 10.5464 11.7645 11.7645 k = 0.3218 0.5574-0.0000 ( 1831 PWs) bands (ev): -33.1285 -33.1285 -33.1255 -33.1255 -14.1855 -14.1855 -14.1781 -14.1781 -12.8109 -12.8109 -12.7904 -12.7904 -12.7165 -12.7165 -12.6759 -12.6759 8.7164 8.7164 8.7774 8.7774 8.8751 8.8751 9.0072 9.0072 10.5054 10.5054 10.5602 10.5602 11.7577 11.7577 k = 0.3161 0.5475-0.0000 ( 1831 PWs) bands (ev): -33.1294 -33.1294 -33.1248 -33.1248 -14.1872 -14.1872 -14.1759 -14.1759 -12.8104 -12.8104 -12.7903 -12.7903 -12.7198 -12.7198 -12.6715 -12.6715 8.6738 8.6738 8.7774 8.7774 8.9023 8.9023 9.0029 9.0029 10.4976 10.4976 10.5782 10.5782 11.7460 11.7460 k = 0.3103 0.5375-0.0000 ( 1835 PWs) bands (ev): -33.1303 -33.1303 -33.1242 -33.1242 -14.1889 -14.1889 -14.1736 -14.1736 -12.8097 -12.8097 -12.7902 -12.7902 -12.7233 -12.7233 -12.6664 -12.6664 8.6251 8.6251 8.7776 8.7776 8.9285 8.9285 8.9985 8.9985 10.4908 10.4908 10.5993 10.5993 11.7290 11.7290 k = 0.3046 0.5276-0.0000 ( 1835 PWs) bands (ev): -33.1313 -33.1313 -33.1235 -33.1235 -14.1905 -14.1905 -14.1711 -14.1711 -12.8087 -12.8087 -12.7903 -12.7903 -12.7268 -12.7268 -12.6607 -12.6607 8.5708 8.5708 8.7783 8.7783 8.9527 8.9527 8.9949 8.9949 10.4851 10.4851 10.6231 10.6231 11.7067 11.7067 k = 0.2989 0.5176-0.0000 ( 1835 PWs) bands (ev): -33.1324 -33.1324 -33.1229 -33.1229 -14.1920 -14.1920 -14.1684 -14.1684 -12.8075 -12.8075 -12.7904 -12.7904 -12.7299 -12.7299 -12.6548 -12.6548 8.5108 8.5108 8.7797 8.7797 8.9735 8.9735 8.9940 8.9940 10.4808 10.4808 10.6494 10.6494 11.6793 11.6793 k = 0.2931 0.5077-0.0000 ( 1831 PWs) bands (ev): -33.1334 -33.1334 -33.1224 -33.1224 -14.1935 -14.1935 -14.1655 -14.1655 -12.8062 -12.8062 -12.7907 -12.7907 -12.7326 -12.7326 -12.6486 -12.6486 8.4455 8.4455 8.7818 8.7818 8.9837 8.9837 9.0033 9.0033 10.4781 10.4781 10.6780 10.6780 11.6468 11.6468 k = 0.2874 0.4977-0.0000 ( 1831 PWs) bands (ev): -33.1346 -33.1346 -33.1218 -33.1218 -14.1949 -14.1949 -14.1624 -14.1624 -12.8048 -12.8048 -12.7910 -12.7910 -12.7346 -12.7346 -12.6423 -12.6423 8.3750 8.3750 8.7848 8.7848 8.9860 8.9860 9.0206 9.0206 10.4771 10.4771 10.7085 10.7085 11.6098 11.6098 k = 0.2816 0.4878-0.0000 ( 1831 PWs) bands (ev): -33.1358 -33.1358 -33.1213 -33.1213 -14.1962 -14.1962 -14.1591 -14.1591 -12.8035 -12.8035 -12.7913 -12.7913 -12.7359 -12.7359 -12.6359 -12.6359 8.2998 8.2998 8.7890 8.7890 8.9886 8.9886 9.0377 9.0377 10.4778 10.4778 10.7409 10.7409 11.5687 11.5687 k = 0.2759 0.4778-0.0000 ( 1835 PWs) bands (ev): -33.1370 -33.1370 -33.1209 -33.1209 -14.1974 -14.1974 -14.1556 -14.1556 -12.8029 -12.8029 -12.7909 -12.7909 -12.7365 -12.7365 -12.6294 -12.6294 8.2201 8.2201 8.7944 8.7944 8.9931 8.9931 9.0533 9.0533 10.4803 10.4803 10.7749 10.7749 11.5241 11.5241 k = 0.2701 0.4679-0.0000 ( 1831 PWs) bands (ev): -33.1383 -33.1383 -33.1204 -33.1204 -14.1985 -14.1985 -14.1518 -14.1518 -12.8033 -12.8033 -12.7896 -12.7896 -12.7364 -12.7364 -12.6229 -12.6229 8.1365 8.1365 8.8011 8.8011 8.9998 8.9998 9.0672 9.0672 10.4847 10.4847 10.8102 10.8102 11.4766 11.4766 k = 0.2644 0.4579-0.0000 ( 1825 PWs) bands (ev): -33.1396 -33.1396 -33.1200 -33.1200 -14.1995 -14.1995 -14.1479 -14.1479 -12.8046 -12.8046 -12.7873 -12.7873 -12.7355 -12.7355 -12.6164 -12.6164 8.0495 8.0495 8.8094 8.8094 9.0088 9.0088 9.0794 9.0794 10.4910 10.4910 10.8468 10.8468 11.4269 11.4269 k = 0.2586 0.4479-0.0000 ( 1825 PWs) bands (ev): -33.1410 -33.1410 -33.1197 -33.1197 -14.2004 -14.2004 -14.1437 -14.1437 -12.8067 -12.8067 -12.7842 -12.7842 -12.7340 -12.7340 -12.6099 -12.6099 7.9593 7.9593 8.8193 8.8193 9.0202 9.0202 9.0896 9.0896 10.4994 10.4994 10.8844 10.8844 11.3757 11.3757 k = 0.2529 0.4380-0.0000 ( 1825 PWs) bands (ev): -33.1425 -33.1425 -33.1194 -33.1194 -14.2011 -14.2011 -14.1394 -14.1394 -12.8092 -12.8092 -12.7805 -12.7805 -12.7319 -12.7319 -12.6034 -12.6034 7.8665 7.8665 8.8308 8.8308 9.0339 9.0339 9.0979 9.0979 10.5099 10.5099 10.9228 10.9228 11.3239 11.3239 k = 0.2471 0.4280-0.0000 ( 1825 PWs) bands (ev): -33.1440 -33.1440 -33.1192 -33.1192 -14.2018 -14.2018 -14.1348 -14.1348 -12.8119 -12.8119 -12.7763 -12.7763 -12.7293 -12.7293 -12.5970 -12.5970 7.7715 7.7715 8.8441 8.8441 9.0499 9.0499 9.1041 9.1041 10.5225 10.5225 10.9617 10.9617 11.2721 11.2721 k = 0.2414 0.4181-0.0000 ( 1825 PWs) bands (ev): -33.1455 -33.1455 -33.1190 -33.1190 -14.2024 -14.2024 -14.1300 -14.1300 -12.8148 -12.8148 -12.7718 -12.7718 -12.7262 -12.7262 -12.5906 -12.5906 7.6746 7.6746 8.8591 8.8591 9.0678 9.0678 9.1085 9.1085 10.5372 10.5372 11.0008 11.0008 11.2214 11.2214 k = 0.2356 0.4081-0.0000 ( 1825 PWs) bands (ev): -33.1471 -33.1471 -33.1188 -33.1188 -14.2028 -14.2028 -14.1250 -14.1250 -12.8177 -12.8177 -12.7669 -12.7669 -12.7227 -12.7227 -12.5843 -12.5843 7.5763 7.5763 8.8761 8.8761 9.0860 9.0860 9.1126 9.1126 10.5542 10.5542 11.0390 11.0390 11.1733 11.1733 k = 0.2299 0.3982-0.0000 ( 1825 PWs) bands (ev): -33.1487 -33.1487 -33.1187 -33.1187 -14.2031 -14.2031 -14.1198 -14.1198 -12.8206 -12.8206 -12.7617 -12.7617 -12.7187 -12.7187 -12.5780 -12.5780 7.4768 7.4768 8.8949 8.8949 9.0968 9.0968 9.1238 9.1238 10.5733 10.5733 11.0713 11.0713 11.1336 11.1336 k = 0.2241 0.3882-0.0000 ( 1823 PWs) bands (ev): -33.1504 -33.1504 -33.1187 -33.1187 -14.2034 -14.2034 -14.1144 -14.1144 -12.8234 -12.8234 -12.7563 -12.7563 -12.7143 -12.7143 -12.5718 -12.5718 7.3764 7.3764 8.9156 8.9156 9.0954 9.0954 9.1465 9.1465 10.5947 10.5947 11.0641 11.0641 11.1361 11.1361 k = 0.2184 0.3783-0.0000 ( 1819 PWs) bands (ev): -33.1520 -33.1520 -33.1187 -33.1187 -14.2035 -14.2035 -14.1089 -14.1089 -12.8261 -12.8261 -12.7506 -12.7506 -12.7095 -12.7095 -12.5657 -12.5657 7.2755 7.2755 8.9380 8.9380 9.0880 9.0880 9.1744 9.1744 10.6182 10.6182 11.0283 11.0283 11.1708 11.1708 k = 0.2126 0.3683-0.0000 ( 1817 PWs) bands (ev): -33.1537 -33.1537 -33.1187 -33.1187 -14.2035 -14.2035 -14.1031 -14.1031 -12.8288 -12.8288 -12.7447 -12.7447 -12.7044 -12.7044 -12.5597 -12.5597 7.1743 7.1743 8.9620 8.9620 9.0766 9.0766 9.2055 9.2055 10.6440 10.6440 10.9923 10.9923 11.2097 11.2097 k = 0.2069 0.3584-0.0000 ( 1821 PWs) bands (ev): -33.1555 -33.1555 -33.1187 -33.1187 -14.2034 -14.2034 -14.0973 -14.0973 -12.8313 -12.8313 -12.7387 -12.7387 -12.6988 -12.6988 -12.5538 -12.5538 7.0731 7.0731 8.9866 8.9866 9.0623 9.0623 9.2394 9.2394 10.6720 10.6720 10.9601 10.9601 11.2491 11.2491 k = 0.2011 0.3484-0.0000 ( 1813 PWs) bands (ev): -33.1573 -33.1573 -33.1188 -33.1188 -14.2033 -14.2033 -14.0912 -14.0912 -12.8337 -12.8337 -12.7326 -12.7326 -12.6929 -12.6929 -12.5480 -12.5480 6.9721 6.9721 9.0066 9.0066 9.0502 9.0502 9.2758 9.2758 10.7020 10.7020 10.9328 10.9328 11.2886 11.2886 k = 0.1954 0.3384-0.0000 ( 1817 PWs) bands (ev): -33.1591 -33.1591 -33.1189 -33.1189 -14.2030 -14.2030 -14.0851 -14.0851 -12.8359 -12.8359 -12.7263 -12.7263 -12.6866 -12.6866 -12.5424 -12.5424 6.8716 6.8716 9.0013 9.0013 9.0610 9.0610 9.3147 9.3147 10.7340 10.7340 10.9111 10.9111 11.3277 11.3277 k = 0.1897 0.3285-0.0000 ( 1817 PWs) bands (ev): -33.1609 -33.1609 -33.1192 -33.1192 -14.2027 -14.2027 -14.0789 -14.0789 -12.8380 -12.8380 -12.7199 -12.7199 -12.6800 -12.6800 -12.5369 -12.5369 6.7717 6.7717 8.9758 8.9758 9.0893 9.0893 9.3561 9.3561 10.7678 10.7678 10.8955 10.8955 11.3664 11.3664 k = 0.1839 0.3185-0.0000 ( 1819 PWs) bands (ev): -33.1628 -33.1628 -33.1194 -33.1194 -14.2023 -14.2023 -14.0725 -14.0725 -12.8399 -12.8399 -12.7136 -12.7136 -12.6730 -12.6730 -12.5315 -12.5315 6.6726 6.6726 8.9431 8.9431 9.1225 9.1225 9.3998 9.3998 10.8025 10.8025 10.8869 10.8869 11.4046 11.4046 k = 0.1782 0.3086-0.0000 ( 1817 PWs) bands (ev): -33.1646 -33.1646 -33.1197 -33.1197 -14.2019 -14.2019 -14.0661 -14.0661 -12.8417 -12.8417 -12.7071 -12.7071 -12.6657 -12.6657 -12.5262 -12.5262 6.5746 6.5746 8.9054 8.9054 9.1582 9.1582 9.4459 9.4459 10.8355 10.8355 10.8880 10.8880 11.4420 11.4420 k = 0.1724 0.2986-0.0000 ( 1817 PWs) bands (ev): -33.1664 -33.1664 -33.1200 -33.1200 -14.2014 -14.2014 -14.0597 -14.0597 -12.8433 -12.8433 -12.7007 -12.7007 -12.6581 -12.6581 -12.5211 -12.5211 6.4778 6.4778 8.8634 8.8634 9.1961 9.1961 9.4941 9.4941 10.8592 10.8592 10.9062 10.9062 11.4788 11.4788 k = 0.1667 0.2887-0.0000 ( 1825 PWs) bands (ev): -33.1683 -33.1683 -33.1203 -33.1203 -14.2008 -14.2008 -14.0532 -14.0532 -12.8448 -12.8448 -12.6942 -12.6942 -12.6502 -12.6502 -12.5161 -12.5161 6.3825 6.3825 8.8177 8.8177 9.2357 9.2357 9.5446 9.5446 10.8735 10.8735 10.9413 10.9413 11.5148 11.5148 k = 0.1609 0.2787-0.0000 ( 1829 PWs) bands (ev): -33.1701 -33.1701 -33.1207 -33.1207 -14.2003 -14.2003 -14.0467 -14.0467 -12.8461 -12.8461 -12.6877 -12.6877 -12.6420 -12.6420 -12.5113 -12.5113 6.2886 6.2886 8.7686 8.7686 9.2770 9.2770 9.5971 9.5971 10.8880 10.8880 10.9837 10.9837 11.5500 11.5500 k = 0.1552 0.2688-0.0000 ( 1825 PWs) bands (ev): -33.1719 -33.1719 -33.1211 -33.1211 -14.1997 -14.1997 -14.0402 -14.0402 -12.8473 -12.8473 -12.6812 -12.6812 -12.6337 -12.6337 -12.5066 -12.5066 6.1965 6.1965 8.7167 8.7167 9.3198 9.3198 9.6517 9.6517 10.9059 10.9059 11.0294 11.0294 11.5845 11.5845 k = 0.1494 0.2588-0.0000 ( 1825 PWs) bands (ev): -33.1738 -33.1738 -33.1214 -33.1214 -14.1991 -14.1991 -14.0337 -14.0337 -12.8483 -12.8483 -12.6748 -12.6748 -12.6251 -12.6251 -12.5021 -12.5021 6.1063 6.1063 8.6624 8.6624 9.3641 9.3641 9.7081 9.7081 10.9279 10.9279 11.0774 11.0774 11.6181 11.6181 k = 0.1437 0.2489-0.0000 ( 1821 PWs) bands (ev): -33.1755 -33.1755 -33.1218 -33.1218 -14.1984 -14.1984 -14.0273 -14.0273 -12.8493 -12.8493 -12.6684 -12.6684 -12.6165 -12.6165 -12.4977 -12.4977 6.0181 6.0181 8.6062 8.6062 9.4096 9.4096 9.7663 9.7663 10.9538 10.9538 11.1274 11.1274 11.6509 11.6509 k = 0.1379 0.2389-0.0000 ( 1825 PWs) bands (ev): -33.1773 -33.1773 -33.1223 -33.1223 -14.1978 -14.1978 -14.0209 -14.0209 -12.8501 -12.8501 -12.6620 -12.6620 -12.6077 -12.6077 -12.4935 -12.4935 5.9321 5.9321 8.5486 8.5486 9.4562 9.4562 9.8263 9.8263 10.9834 10.9834 11.1791 11.1791 11.6829 11.6829 k = 0.1322 0.2289-0.0000 ( 1825 PWs) bands (ev): -33.1791 -33.1791 -33.1227 -33.1227 -14.1972 -14.1972 -14.0147 -14.0147 -12.8507 -12.8507 -12.6556 -12.6556 -12.5989 -12.5989 -12.4895 -12.4895 5.8484 5.8484 8.4901 8.4901 9.5038 9.5038 9.8877 9.8877 11.0164 11.0164 11.2323 11.2323 11.7142 11.7142 k = 0.1264 0.2190-0.0000 ( 1833 PWs) bands (ev): -33.1808 -33.1808 -33.1232 -33.1232 -14.1965 -14.1965 -14.0085 -14.0085 -12.8513 -12.8513 -12.6493 -12.6493 -12.5900 -12.5900 -12.4856 -12.4856 5.7671 5.7671 8.4310 8.4310 9.5522 9.5522 9.9505 9.9505 11.0523 11.0523 11.2868 11.2868 11.7446 11.7446 k = 0.1207 0.2090-0.0000 ( 1831 PWs) bands (ev): -33.1825 -33.1825 -33.1237 -33.1237 -14.1959 -14.1959 -14.0025 -14.0025 -12.8518 -12.8518 -12.6431 -12.6431 -12.5812 -12.5812 -12.4819 -12.4819 5.6884 5.6884 8.3718 8.3718 9.6013 9.6013 10.0146 10.0146 11.0908 11.0908 11.3424 11.3424 11.7743 11.7743 k = 0.1149 0.1991-0.0000 ( 1831 PWs) bands (ev): -33.1841 -33.1841 -33.1241 -33.1241 -14.1953 -14.1953 -13.9966 -13.9966 -12.8522 -12.8522 -12.6369 -12.6369 -12.5725 -12.5725 -12.4784 -12.4784 5.6125 5.6125 8.3129 8.3129 9.6507 9.6507 10.0798 10.0798 11.1314 11.1314 11.3989 11.3989 11.8031 11.8031 k = 0.1092 0.1891-0.0000 ( 1827 PWs) bands (ev): -33.1856 -33.1856 -33.1246 -33.1246 -14.1948 -14.1948 -13.9909 -13.9909 -12.8525 -12.8525 -12.6309 -12.6309 -12.5639 -12.5639 -12.4750 -12.4750 5.5393 5.5393 8.2546 8.2546 9.7003 9.7003 10.1459 10.1459 11.1738 11.1738 11.4561 11.4561 11.8303 11.8303 k = 0.1034 0.1792-0.0000 ( 1827 PWs) bands (ev): -33.1872 -33.1872 -33.1250 -33.1250 -14.1942 -14.1942 -13.9854 -13.9854 -12.8527 -12.8527 -12.6249 -12.6249 -12.5554 -12.5554 -12.4717 -12.4717 5.4692 5.4692 8.1974 8.1974 9.7499 9.7499 10.2127 10.2127 11.2174 11.2174 11.5137 11.5137 11.8413 11.8413 k = 0.0977 0.1692-0.0000 ( 1823 PWs) bands (ev): -33.1886 -33.1886 -33.1255 -33.1255 -14.1937 -14.1937 -13.9801 -13.9801 -12.8529 -12.8529 -12.6191 -12.6191 -12.5472 -12.5472 -12.4687 -12.4687 5.4021 5.4021 8.1415 8.1415 9.7992 9.7992 10.2800 10.2800 11.2620 11.2620 11.5715 11.5715 11.7818 11.7818 k = 0.0920 0.1593-0.0000 ( 1827 PWs) bands (ev): -33.1901 -33.1901 -33.1259 -33.1259 -14.1932 -14.1932 -13.9750 -13.9750 -12.8530 -12.8530 -12.6135 -12.6135 -12.5391 -12.5391 -12.4658 -12.4658 5.3382 5.3382 8.0872 8.0872 9.8480 9.8480 10.3476 10.3476 11.3068 11.3068 11.6291 11.6291 11.7180 11.7180 k = 0.0862 0.1493-0.0000 ( 1825 PWs) bands (ev): -33.1914 -33.1914 -33.1263 -33.1263 -14.1928 -14.1928 -13.9701 -13.9701 -12.8531 -12.8531 -12.6080 -12.6080 -12.5314 -12.5314 -12.4630 -12.4630 5.2775 5.2775 8.0349 8.0349 9.8960 9.8960 10.4153 10.4153 11.3513 11.3513 11.6570 11.6570 11.6871 11.6871 k = 0.0805 0.1394-0.0000 ( 1829 PWs) bands (ev): -33.1927 -33.1927 -33.1268 -33.1268 -14.1923 -14.1923 -13.9655 -13.9655 -12.8531 -12.8531 -12.6028 -12.6028 -12.5240 -12.5240 -12.4604 -12.4604 5.2203 5.2203 7.9847 7.9847 9.9428 9.9428 10.4829 10.4829 11.3944 11.3944 11.6024 11.6024 11.7424 11.7424 k = 0.0747 0.1294-0.0000 ( 1833 PWs) bands (ev): -33.1940 -33.1940 -33.1272 -33.1272 -14.1919 -14.1919 -13.9611 -13.9611 -12.8531 -12.8531 -12.5978 -12.5978 -12.5170 -12.5170 -12.4579 -12.4579 5.1666 5.1666 7.9370 7.9370 9.9883 9.9883 10.5500 10.5500 11.4331 11.4331 11.5550 11.5550 11.7953 11.7953 k = 0.0690 0.1195-0.0000 ( 1833 PWs) bands (ev): -33.1951 -33.1951 -33.1276 -33.1276 -14.1916 -14.1916 -13.9571 -13.9571 -12.8531 -12.8531 -12.5930 -12.5930 -12.5103 -12.5103 -12.4556 -12.4556 5.1164 5.1164 7.8919 7.8919 10.0320 10.0320 10.6164 10.6164 11.4531 11.4531 11.5292 11.5292 11.8352 11.8352 k = 0.0632 0.1095-0.0000 ( 1833 PWs) bands (ev): -33.1962 -33.1962 -33.1280 -33.1280 -14.1912 -14.1912 -13.9533 -13.9533 -12.8530 -12.8530 -12.5885 -12.5885 -12.5042 -12.5042 -12.4534 -12.4534 5.0699 5.0699 7.8497 7.8497 10.0737 10.0737 10.6819 10.6819 11.4320 11.4320 11.5468 11.5468 11.8274 11.8274 k = 0.0575 0.0995-0.0000 ( 1825 PWs) bands (ev): -33.1971 -33.1971 -33.1282 -33.1282 -14.1909 -14.1909 -13.9498 -13.9498 -12.8529 -12.8529 -12.5843 -12.5843 -12.4984 -12.4984 -12.4514 -12.4514 5.0272 5.0272 7.8106 7.8106 10.1130 10.1130 10.7462 10.7462 11.3967 11.3967 11.5807 11.5807 11.7977 11.7977 k = 0.0517 0.0896-0.0000 ( 1825 PWs) bands (ev): -33.1980 -33.1980 -33.1285 -33.1285 -14.1907 -14.1907 -13.9466 -13.9466 -12.8529 -12.8529 -12.5804 -12.5804 -12.4932 -12.4932 -12.4495 -12.4495 4.9883 4.9883 7.7746 7.7746 10.1498 10.1498 10.8090 10.8090 11.3616 11.3616 11.6159 11.6159 11.7642 11.7642 k = 0.0460 0.0796-0.0000 ( 1817 PWs) bands (ev): -33.1988 -33.1988 -33.1288 -33.1288 -14.1904 -14.1904 -13.9437 -13.9437 -12.8528 -12.8528 -12.5769 -12.5769 -12.4886 -12.4886 -12.4477 -12.4477 4.9533 4.9533 7.7421 7.7421 10.1835 10.1835 10.8698 10.8698 11.3294 11.3294 11.6492 11.6492 11.7293 11.7293 k = 0.0402 0.0697-0.0000 ( 1811 PWs) bands (ev): -33.1995 -33.1995 -33.1290 -33.1290 -14.1902 -14.1902 -13.9411 -13.9411 -12.8527 -12.8527 -12.5738 -12.5738 -12.4844 -12.4844 -12.4461 -12.4461 4.9223 4.9223 7.7130 7.7130 10.2140 10.2140 10.9284 10.9284 11.3009 11.3009 11.6784 11.6784 11.6945 11.6945 k = 0.0345 0.0597-0.0000 ( 1807 PWs) bands (ev): -33.2001 -33.2001 -33.1292 -33.1292 -14.1901 -14.1901 -13.9389 -13.9389 -12.8526 -12.8526 -12.5710 -12.5710 -12.4809 -12.4809 -12.4446 -12.4446 4.8953 4.8953 7.6876 7.6876 10.2411 10.2411 10.9841 10.9841 11.2763 11.2763 11.6565 11.6565 11.7066 11.7066 k = 0.0287 0.0498-0.0000 ( 1805 PWs) bands (ev): -33.2007 -33.2007 -33.1294 -33.1294 -14.1899 -14.1899 -13.9370 -13.9370 -12.8525 -12.8525 -12.5686 -12.5686 -12.4779 -12.4779 -12.4434 -12.4434 4.8724 4.8724 7.6659 7.6659 10.2644 10.2644 11.0363 11.0363 11.2561 11.2561 11.6206 11.6206 11.7281 11.7281 k = 0.0230 0.0398-0.0000 ( 1805 PWs) bands (ev): -33.2011 -33.2011 -33.1295 -33.1295 -14.1898 -14.1898 -13.9354 -13.9354 -12.8525 -12.8525 -12.5666 -12.5666 -12.4755 -12.4755 -12.4423 -12.4423 4.8536 4.8536 7.6480 7.6480 10.2837 10.2837 11.0834 11.0834 11.2406 11.2406 11.5855 11.5855 11.7441 11.7441 k = 0.0172 0.0299-0.0000 ( 1797 PWs) bands (ev): -33.2014 -33.2014 -33.1296 -33.1296 -14.1897 -14.1897 -13.9342 -13.9342 -12.8524 -12.8524 -12.5651 -12.5651 -12.4736 -12.4736 -12.4414 -12.4414 4.8389 4.8389 7.6341 7.6341 10.2990 10.2990 11.1233 11.1233 11.2310 11.2310 11.5528 11.5528 11.7542 11.7542 k = 0.0115 0.0199-0.0000 ( 1797 PWs) bands (ev): -33.2016 -33.2016 -33.1297 -33.1297 -14.1896 -14.1896 -13.9333 -13.9333 -12.8524 -12.8524 -12.5640 -12.5640 -12.4723 -12.4723 -12.4407 -12.4407 4.8284 4.8284 7.6241 7.6241 10.3100 10.3100 11.1517 11.1517 11.2290 11.2290 11.5246 11.5246 11.7592 11.7592 k = 0.0057 0.0100-0.0000 ( 1797 PWs) bands (ev): -33.2018 -33.2018 -33.1298 -33.1298 -14.1896 -14.1896 -13.9328 -13.9328 -12.8524 -12.8524 -12.5633 -12.5633 -12.4715 -12.4715 -12.4403 -12.4403 4.8221 4.8221 7.6180 7.6180 10.3166 10.3166 11.1659 11.1659 11.2338 11.2338 11.5046 11.5046 11.7609 11.7609 k = 0.0000 0.0000 0.0000 ( 1797 PWs) bands (ev): -33.2018 -33.2018 -33.1298 -33.1298 -14.1896 -14.1896 -13.9326 -13.9326 -12.8523 -12.8523 -12.5631 -12.5631 -12.4712 -12.4712 -12.4402 -12.4402 4.8200 4.8200 7.6160 7.6160 10.3188 10.3188 11.1695 11.1695 11.2373 11.2373 11.4972 11.4972 11.7613 11.7613 k = 0.0000 0.0000 0.0000 ( 1797 PWs) bands (ev): -33.2018 -33.2018 -33.1298 -33.1298 -14.1896 -14.1896 -13.9326 -13.9326 -12.8523 -12.8523 -12.5631 -12.5631 -12.4712 -12.4712 -12.4402 -12.4402 4.8200 4.8200 7.6160 7.6160 10.3188 10.3188 11.1695 11.1695 11.2373 11.2373 11.4972 11.4972 11.7613 11.7613 k = 0.0000 0.0000 0.0114 ( 1797 PWs) bands (ev): -33.2018 -33.2018 -33.1299 -33.1299 -14.1894 -14.1894 -13.9328 -13.9328 -12.8521 -12.8521 -12.5630 -12.5630 -12.4713 -12.4713 -12.4406 -12.4406 4.8221 4.8221 7.6146 7.6146 10.3167 10.3167 11.1682 11.1682 11.2357 11.2357 11.4952 11.4952 11.7595 11.7595 k = 0.0000 0.0000 0.0227 ( 1797 PWs) bands (ev): -33.2016 -33.2016 -33.1300 -33.1300 -14.1887 -14.1887 -13.9334 -13.9334 -12.8512 -12.8512 -12.5628 -12.5628 -12.4715 -12.4715 -12.4417 -12.4417 4.8283 4.8283 7.6102 7.6102 10.3106 10.3106 11.1642 11.1642 11.2311 11.2311 11.4891 11.4891 11.7541 11.7541 k = 0.0000 0.0000 0.0341 ( 1803 PWs) bands (ev): -33.2014 -33.2014 -33.1303 -33.1303 -14.1876 -14.1876 -13.9343 -13.9343 -12.8499 -12.8499 -12.5624 -12.5624 -12.4719 -12.4719 -12.4436 -12.4436 4.8387 4.8387 7.6028 7.6028 10.3006 10.3006 11.1578 11.1578 11.2237 11.2237 11.4789 11.4789 11.7452 11.7452 k = 0.0000 0.0000 0.0455 ( 1803 PWs) bands (ev): -33.2010 -33.2010 -33.1307 -33.1307 -14.1860 -14.1860 -13.9355 -13.9355 -12.8480 -12.8480 -12.5619 -12.5619 -12.4724 -12.4724 -12.4462 -12.4462 4.8532 4.8532 7.5923 7.5923 10.2871 10.2871 11.1493 11.1493 11.2139 11.2139 11.4648 11.4648 11.7329 11.7329 k = 0.0000 0.0000 0.0568 ( 1803 PWs) bands (ev): -33.2005 -33.2005 -33.1313 -33.1313 -14.1840 -14.1840 -13.9371 -13.9371 -12.8455 -12.8455 -12.5613 -12.5613 -12.4730 -12.4730 -12.4495 -12.4495 4.8718 4.8718 7.5785 7.5785 10.2708 10.2708 11.1391 11.1391 11.2022 11.2022 11.4467 11.4467 11.7174 11.7174 k = 0.0000 0.0000 0.0682 ( 1803 PWs) bands (ev): -33.1999 -33.1999 -33.1319 -33.1319 -14.1816 -14.1816 -13.9391 -13.9391 -12.8425 -12.8425 -12.5605 -12.5605 -12.4738 -12.4738 -12.4536 -12.4536 4.8945 4.8945 7.5613 7.5613 10.2522 10.2522 11.1276 11.1276 11.1891 11.1891 11.4248 11.4248 11.6990 11.6990 k = 0.0000 0.0000 0.0796 ( 1803 PWs) bands (ev): -33.1991 -33.1991 -33.1326 -33.1326 -14.1787 -14.1787 -13.9413 -13.9413 -12.8390 -12.8390 -12.5596 -12.5596 -12.4747 -12.4747 -12.4583 -12.4583 4.9212 4.9212 7.5405 7.5405 10.2320 10.2320 11.1153 11.1153 11.1752 11.1752 11.3992 11.3992 11.6778 11.6778 k = 0.0000 0.0000 0.0909 ( 1809 PWs) bands (ev): -33.1984 -33.1984 -33.1334 -33.1334 -14.1755 -14.1755 -13.9440 -13.9440 -12.8349 -12.8349 -12.5586 -12.5586 -12.4758 -12.4758 -12.4637 -12.4637 4.9519 4.9519 7.5159 7.5159 10.2111 10.2111 11.1026 11.1026 11.1608 11.1608 11.3700 11.3700 11.6543 11.6543 k = 0.0000 0.0000 0.1023 ( 1809 PWs) bands (ev): -33.1975 -33.1975 -33.1343 -33.1343 -14.1718 -14.1718 -13.9470 -13.9470 -12.8303 -12.8303 -12.5574 -12.5574 -12.4770 -12.4770 -12.4698 -12.4698 4.9864 4.9864 7.4872 7.4872 10.1902 10.1902 11.0898 11.0898 11.1465 11.1465 11.3374 11.3374 11.6287 11.6287 k = 0.0000 0.0000 0.1137 ( 1821 PWs) bands (ev): -33.1965 -33.1965 -33.1355 -33.1355 -14.1678 -14.1678 -13.9503 -13.9503 -12.8252 -12.8252 -12.5561 -12.5561 -12.4783 -12.4783 -12.4765 -12.4765 5.0248 5.0248 7.4544 7.4544 10.1701 10.1701 11.0774 11.0774 11.1325 11.1325 11.3017 11.3017 11.6014 11.6014 k = 0.0000 0.0000 0.1250 ( 1815 PWs) bands (ev): -33.1953 -33.1953 -33.1365 -33.1365 -14.1634 -14.1634 -13.9539 -13.9539 -12.8196 -12.8196 -12.5547 -12.5547 -12.4837 -12.4837 -12.4797 -12.4797 5.0670 5.0670 7.4171 7.4171 10.1516 10.1516 11.0656 11.0656 11.1191 11.1191 11.2630 11.2630 11.5726 11.5726 k = 0.0000 0.0000 0.1364 ( 1821 PWs) bands (ev): -33.1942 -33.1942 -33.1378 -33.1378 -14.1587 -14.1587 -13.9578 -13.9578 -12.8135 -12.8135 -12.5531 -12.5531 -12.4916 -12.4916 -12.4813 -12.4813 5.1128 5.1128 7.3754 7.3754 10.1354 10.1354 11.0547 11.0547 11.1066 11.1066 11.2218 11.2218 11.5427 11.5427 k = 0.0000 0.0000 0.1478 ( 1821 PWs) bands (ev): -33.1929 -33.1929 -33.1391 -33.1391 -14.1536 -14.1536 -13.9621 -13.9621 -12.8069 -12.8069 -12.5515 -12.5515 -12.4999 -12.4999 -12.4830 -12.4830 5.1622 5.1622 7.3292 7.3292 10.1221 10.1221 11.0448 11.0448 11.0947 11.0947 11.1786 11.1786 11.5119 11.5119 k = 0.0000 0.0000 0.1591 ( 1822 PWs) bands (ev): -33.1915 -33.1915 -33.1405 -33.1405 -14.1482 -14.1482 -13.9666 -13.9666 -12.7999 -12.7999 -12.5497 -12.5497 -12.5088 -12.5088 -12.4848 -12.4848 5.2151 5.2151 7.2784 7.2784 10.1122 10.1122 11.0363 11.0363 11.0827 11.0827 11.1347 11.1347 11.4806 11.4806 k = 0.0000 0.0000 0.1705 ( 1828 PWs) bands (ev): -33.1900 -33.1900 -33.1420 -33.1420 -14.1426 -14.1426 -13.9714 -13.9714 -12.7924 -12.7924 -12.5478 -12.5478 -12.5181 -12.5181 -12.4866 -12.4866 5.2713 5.2713 7.2233 7.2233 10.1062 10.1062 11.0292 11.0292 11.0636 11.0636 11.0974 11.0974 11.4490 11.4490 k = 0.0000 0.0000 0.1819 ( 1840 PWs) bands (ev): -33.1885 -33.1885 -33.1437 -33.1437 -14.1367 -14.1367 -13.9765 -13.9765 -12.7844 -12.7844 -12.5459 -12.5459 -12.5278 -12.5278 -12.4886 -12.4886 5.3307 5.3307 7.1638 7.1638 10.1043 10.1043 11.0238 11.0238 11.0241 11.0241 11.0806 11.0806 11.4173 11.4174 k = 0.0000 0.0000 0.1932 ( 1816 PWs) bands (ev): -33.1868 -33.1868 -33.1452 -33.1452 -14.1305 -14.1305 -13.9819 -13.9819 -12.7761 -12.7761 -12.5438 -12.5438 -12.5379 -12.5379 -12.4907 -12.4907 5.3933 5.3933 7.1003 7.1003 10.1068 10.1068 10.9751 10.9751 11.0200 11.0200 11.0736 11.0736 11.3859 11.3859 k = 0.0000 0.0000 0.2046 ( 1816 PWs) bands (ev): -33.1851 -33.1851 -33.1469 -33.1469 -14.1241 -14.1241 -13.9875 -13.9875 -12.7673 -12.7673 -12.5484 -12.5484 -12.5417 -12.5417 -12.4928 -12.4928 5.4588 5.4588 7.0330 7.0330 10.1137 10.1137 10.9234 10.9234 11.0179 11.0179 11.0701 11.0701 11.3549 11.3549 k = 0.0000 0.0000 0.2159 ( 1816 PWs) bands (ev): -33.1834 -33.1834 -33.1486 -33.1486 -14.1176 -14.1176 -13.9933 -13.9933 -12.7581 -12.7581 -12.5591 -12.5591 -12.5395 -12.5395 -12.4951 -12.4951 5.5271 5.5271 6.9622 6.9622 10.1251 10.1251 10.8704 10.8704 11.0177 11.0177 11.0691 11.0691 11.3244 11.3244 k = 0.0000 0.0000 0.2273 ( 1816 PWs) bands (ev): -33.1816 -33.1816 -33.1504 -33.1504 -14.1108 -14.1108 -13.9994 -13.9994 -12.7486 -12.7486 -12.5701 -12.5701 -12.5372 -12.5372 -12.4974 -12.4974 5.5979 5.5979 6.8884 6.8884 10.1410 10.1410 10.8168 10.8168 11.0194 11.0194 11.0702 11.0702 11.2947 11.2948 k = 0.0000 0.0000 0.2387 ( 1828 PWs) bands (ev): -33.1798 -33.1798 -33.1524 -33.1524 -14.1039 -14.1039 -14.0056 -14.0056 -12.7388 -12.7388 -12.5813 -12.5813 -12.5349 -12.5349 -12.4997 -12.4997 5.6713 5.6713 6.8118 6.8118 10.1612 10.1612 10.7628 10.7628 11.0230 11.0230 11.0734 11.0734 11.2660 11.2660 k = 0.0000 0.0000 0.2500 ( 1834 PWs) bands (ev): -33.1780 -33.1780 -33.1543 -33.1543 -14.0969 -14.0969 -14.0121 -14.0121 -12.7286 -12.7286 -12.5927 -12.5927 -12.5325 -12.5325 -12.5021 -12.5021 5.7468 5.7468 6.7329 6.7329 10.1855 10.1855 10.7090 10.7090 11.0286 11.0286 11.0787 11.0787 11.2384 11.2384 k = 0.0000 0.0000 0.2614 ( 1834 PWs) bands (ev): -33.1760 -33.1760 -33.1562 -33.1562 -14.0898 -14.0898 -14.0187 -14.0187 -12.7181 -12.7181 -12.6042 -12.6042 -12.5300 -12.5300 -12.5046 -12.5046 5.8244 5.8244 6.6521 6.6521 10.2139 10.2139 10.6555 10.6555 11.0360 11.0360 11.0860 11.0860 11.2120 11.2120 k = 0.0000 0.0000 0.2728 ( 1834 PWs) bands (ev): -33.1741 -33.1741 -33.1582 -33.1582 -14.0826 -14.0826 -14.0255 -14.0255 -12.7074 -12.7074 -12.6158 -12.6158 -12.5275 -12.5275 -12.5071 -12.5071 5.9037 5.9037 6.5699 6.5699 10.2459 10.2459 10.6028 10.6028 11.0455 11.0455 11.0954 11.0954 11.1869 11.1869 k = 0.0000 0.0000 0.2841 ( 1834 PWs) bands (ev): -33.1721 -33.1721 -33.1601 -33.1601 -14.0754 -14.0754 -14.0324 -14.0324 -12.6964 -12.6964 -12.6275 -12.6275 -12.5250 -12.5250 -12.5096 -12.5096 5.9846 5.9846 6.4866 6.4866 10.2814 10.2814 10.5512 10.5512 11.0568 11.0568 11.1068 11.1068 11.1633 11.1633 k = 0.0000 0.0000 0.2955 ( 1846 PWs) bands (ev): -33.1702 -33.1702 -33.1622 -33.1622 -14.0682 -14.0682 -14.0394 -14.0394 -12.6852 -12.6852 -12.6392 -12.6392 -12.5225 -12.5225 -12.5122 -12.5122 6.0668 6.0668 6.4025 6.4025 10.3201 10.3201 10.5010 10.5010 11.0701 11.0701 11.1202 11.1202 11.1413 11.1413 k = 0.0000 0.0000 0.3069 ( 1846 PWs) bands (ev): -33.1682 -33.1682 -33.1642 -33.1642 -14.0609 -14.0609 -14.0465 -14.0465 -12.6739 -12.6739 -12.6508 -12.6508 -12.5199 -12.5199 -12.5148 -12.5148 6.1500 6.1500 6.3182 6.3182 10.3617 10.3617 10.4525 10.4525 11.0852 11.0852 11.1208 11.1208 11.1355 11.1355 k = 0.0000 0.0000 0.3182 ( 1846 PWs) bands (ev): -33.1662 -33.1662 -33.1662 -33.1662 -14.0537 -14.0537 -14.0537 -14.0537 -12.6624 -12.6624 -12.6624 -12.6624 -12.5173 -12.5173 -12.5173 -12.5173 6.2339 6.2339 6.2339 6.2339 10.4059 10.4059 10.4059 10.4059 11.1021 11.1021 11.1021 11.1021 11.1527 11.1527 k = 0.0000 0.0000 0.3182 ( 1846 PWs) bands (ev): -33.1662 -33.1662 -33.1662 -33.1662 -14.0537 -14.0537 -14.0537 -14.0537 -12.6624 -12.6624 -12.6624 -12.6624 -12.5173 -12.5173 -12.5173 -12.5173 6.2339 6.2339 6.2339 6.2339 10.4059 10.4059 10.4059 10.4059 11.1021 11.1021 11.1021 11.1021 11.1527 11.1527 k = 0.0100 0.0058 0.3182 ( 1846 PWs) bands (ev): -33.1662 -33.1662 -33.1662 -33.1662 -14.0538 -14.0538 -14.0538 -14.0538 -12.6625 -12.6625 -12.6625 -12.6625 -12.5175 -12.5175 -12.5175 -12.5175 6.2358 6.2358 6.2358 6.2358 10.4043 10.4043 10.4043 10.4043 11.1023 11.1023 11.1023 11.1023 11.1530 11.1530 k = 0.0200 0.0115 0.3182 ( 1846 PWs) bands (ev): -33.1661 -33.1661 -33.1661 -33.1661 -14.0541 -14.0541 -14.0541 -14.0541 -12.6629 -12.6629 -12.6629 -12.6629 -12.5180 -12.5180 -12.5180 -12.5180 6.2414 6.2414 6.2414 6.2414 10.3994 10.3994 10.3994 10.3994 11.1025 11.1025 11.1025 11.1025 11.1542 11.1542 k = 0.0300 0.0173 0.3182 ( 1846 PWs) bands (ev): -33.1659 -33.1659 -33.1659 -33.1659 -14.0547 -14.0547 -14.0547 -14.0547 -12.6635 -12.6635 -12.6635 -12.6635 -12.5188 -12.5188 -12.5188 -12.5188 6.2507 6.2507 6.2507 6.2507 10.3914 10.3914 10.3914 10.3914 11.1016 11.1016 11.1016 11.1016 11.1574 11.1574 k = 0.0400 0.0231 0.3182 ( 1842 PWs) bands (ev): -33.1656 -33.1656 -33.1656 -33.1656 -14.0555 -14.0555 -14.0555 -14.0555 -12.6644 -12.6644 -12.6644 -12.6644 -12.5199 -12.5199 -12.5199 -12.5199 6.2636 6.2636 6.2636 6.2636 10.3803 10.3803 10.3803 10.3803 11.0985 11.0985 11.0985 11.0985 11.1638 11.1638 k = 0.0500 0.0289 0.3182 ( 1834 PWs) bands (ev): -33.1653 -33.1653 -33.1653 -33.1653 -14.0565 -14.0565 -14.0565 -14.0565 -12.6655 -12.6655 -12.6655 -12.6655 -12.5213 -12.5213 -12.5213 -12.5213 6.2802 6.2802 6.2802 6.2802 10.3662 10.3662 10.3662 10.3662 11.0924 11.0924 11.0924 11.0924 11.1740 11.1740 k = 0.0600 0.0346 0.3182 ( 1834 PWs) bands (ev): -33.1649 -33.1649 -33.1649 -33.1649 -14.0577 -14.0577 -14.0577 -14.0577 -12.6668 -12.6668 -12.6668 -12.6668 -12.5230 -12.5230 -12.5230 -12.5230 6.3004 6.3004 6.3004 6.3004 10.3493 10.3493 10.3493 10.3493 11.0833 11.0833 11.0833 11.0833 11.1881 11.1881 k = 0.0700 0.0404 0.3182 ( 1830 PWs) bands (ev): -33.1645 -33.1645 -33.1645 -33.1645 -14.0592 -14.0592 -14.0592 -14.0592 -12.6685 -12.6685 -12.6685 -12.6685 -12.5250 -12.5250 -12.5250 -12.5250 6.3241 6.3241 6.3241 6.3241 10.3298 10.3298 10.3298 10.3298 11.0716 11.0716 11.0716 11.0716 11.2057 11.2057 k = 0.0800 0.0462 0.3182 ( 1832 PWs) bands (ev): -33.1640 -33.1640 -33.1640 -33.1640 -14.0608 -14.0608 -14.0608 -14.0608 -12.6704 -12.6704 -12.6704 -12.6704 -12.5272 -12.5272 -12.5272 -12.5272 6.3511 6.3511 6.3511 6.3511 10.3079 10.3079 10.3079 10.3079 11.0575 11.0575 11.0575 11.0575 11.2265 11.2265 k = 0.0900 0.0520 0.3182 ( 1832 PWs) bands (ev): -33.1634 -33.1634 -33.1634 -33.1634 -14.0627 -14.0627 -14.0627 -14.0627 -12.6725 -12.6725 -12.6725 -12.6725 -12.5296 -12.5296 -12.5296 -12.5296 6.3815 6.3815 6.3815 6.3815 10.2838 10.2838 10.2838 10.2838 11.0414 11.0414 11.0414 11.0414 11.2503 11.2503 k = 0.1000 0.0577 0.3182 ( 1830 PWs) bands (ev): -33.1628 -33.1628 -33.1628 -33.1628 -14.0648 -14.0648 -14.0648 -14.0648 -12.6750 -12.6750 -12.6750 -12.6750 -12.5321 -12.5321 -12.5321 -12.5321 6.4151 6.4151 6.4151 6.4151 10.2576 10.2576 10.2576 10.2576 11.0235 11.0235 11.0235 11.0235 11.2769 11.2769 k = 0.1100 0.0635 0.3182 ( 1826 PWs) bands (ev): -33.1621 -33.1621 -33.1621 -33.1621 -14.0670 -14.0670 -14.0670 -14.0670 -12.6777 -12.6777 -12.6777 -12.6777 -12.5348 -12.5348 -12.5348 -12.5348 6.4518 6.4518 6.4518 6.4518 10.2297 10.2297 10.2297 10.2297 11.0039 11.0039 11.0039 11.0039 11.3061 11.3061 k = 0.1200 0.0693 0.3182 ( 1826 PWs) bands (ev): -33.1614 -33.1614 -33.1614 -33.1614 -14.0695 -14.0695 -14.0695 -14.0695 -12.6807 -12.6807 -12.6807 -12.6807 -12.5377 -12.5377 -12.5377 -12.5377 6.4913 6.4913 6.4913 6.4913 10.2002 10.2002 10.2002 10.2002 10.9829 10.9829 10.9829 10.9829 11.3377 11.3377 k = 0.1300 0.0751 0.3182 ( 1828 PWs) bands (ev): -33.1606 -33.1606 -33.1606 -33.1606 -14.0722 -14.0722 -14.0722 -14.0722 -12.6840 -12.6840 -12.6840 -12.6840 -12.5406 -12.5406 -12.5406 -12.5406 6.5337 6.5337 6.5337 6.5337 10.1694 10.1694 10.1694 10.1694 10.9608 10.9608 10.9608 10.9608 11.3716 11.3716 k = 0.1400 0.0808 0.3182 ( 1828 PWs) bands (ev): -33.1598 -33.1598 -33.1598 -33.1598 -14.0750 -14.0750 -14.0750 -14.0750 -12.6876 -12.6876 -12.6876 -12.6876 -12.5436 -12.5436 -12.5436 -12.5436 6.5786 6.5786 6.5786 6.5786 10.1376 10.1376 10.1376 10.1376 10.9377 10.9377 10.9377 10.9377 11.4075 11.4075 k = 0.1500 0.0866 0.3182 ( 1828 PWs) bands (ev): -33.1589 -33.1589 -33.1589 -33.1589 -14.0780 -14.0780 -14.0780 -14.0780 -12.6915 -12.6915 -12.6915 -12.6915 -12.5466 -12.5466 -12.5466 -12.5466 6.6259 6.6259 6.6259 6.6259 10.1049 10.1049 10.1049 10.1049 10.9140 10.9140 10.9140 10.9140 11.4453 11.4453 k = 0.1600 0.0924 0.3182 ( 1824 PWs) bands (ev): -33.1580 -33.1580 -33.1580 -33.1580 -14.0811 -14.0811 -14.0811 -14.0811 -12.6957 -12.6957 -12.6957 -12.6957 -12.5496 -12.5496 -12.5496 -12.5496 6.6754 6.6754 6.6754 6.6754 10.0716 10.0716 10.0716 10.0716 10.8899 10.8899 10.8899 10.8899 11.4847 11.4847 k = 0.1700 0.0981 0.3182 ( 1824 PWs) bands (ev): -33.1571 -33.1571 -33.1571 -33.1571 -14.0845 -14.0845 -14.0845 -14.0845 -12.7001 -12.7001 -12.7001 -12.7001 -12.5525 -12.5525 -12.5525 -12.5525 6.7268 6.7268 6.7268 6.7268 10.0379 10.0379 10.0379 10.0379 10.8656 10.8656 10.8656 10.8656 11.5255 11.5255 k = 0.1800 0.1039 0.3182 ( 1828 PWs) bands (ev): -33.1561 -33.1561 -33.1561 -33.1561 -14.0879 -14.0879 -14.0879 -14.0879 -12.7048 -12.7048 -12.7048 -12.7048 -12.5554 -12.5554 -12.5554 -12.5554 6.7799 6.7799 6.7799 6.7799 10.0040 10.0040 10.0040 10.0040 10.8414 10.8414 10.8414 10.8414 11.5674 11.5674 k = 0.1900 0.1097 0.3182 ( 1828 PWs) bands (ev): -33.1551 -33.1551 -33.1551 -33.1551 -14.0915 -14.0915 -14.0915 -14.0915 -12.7098 -12.7098 -12.7098 -12.7098 -12.5582 -12.5582 -12.5582 -12.5582 6.8345 6.8345 6.8345 6.8345 9.9703 9.9703 9.9703 9.9703 10.8176 10.8176 10.8176 10.8176 11.6102 11.6102 k = 0.2000 0.1155 0.3182 ( 1828 PWs) bands (ev): -33.1541 -33.1541 -33.1541 -33.1541 -14.0952 -14.0952 -14.0952 -14.0952 -12.7150 -12.7150 -12.7150 -12.7150 -12.5610 -12.5610 -12.5610 -12.5610 6.8901 6.8901 6.8901 6.8901 9.9368 9.9368 9.9368 9.9368 10.7945 10.7945 10.7945 10.7945 11.6535 11.6535 k = 0.2100 0.1212 0.3182 ( 1824 PWs) bands (ev): -33.1530 -33.1530 -33.1530 -33.1530 -14.0990 -14.0990 -14.0990 -14.0990 -12.7204 -12.7204 -12.7204 -12.7204 -12.5636 -12.5636 -12.5636 -12.5636 6.9467 6.9467 6.9467 6.9467 9.9039 9.9039 9.9039 9.9039 10.7722 10.7722 10.7722 10.7722 11.6971 11.6971 k = 0.2200 0.1270 0.3182 ( 1822 PWs) bands (ev): -33.1520 -33.1520 -33.1520 -33.1520 -14.1029 -14.1029 -14.1029 -14.1029 -12.7260 -12.7260 -12.7260 -12.7260 -12.5661 -12.5661 -12.5661 -12.5661 7.0037 7.0037 7.0037 7.0037 9.8716 9.8716 9.8716 9.8716 10.7510 10.7510 10.7510 10.7510 11.7405 11.7405 k = 0.2300 0.1328 0.3182 ( 1820 PWs) bands (ev): -33.1509 -33.1509 -33.1509 -33.1509 -14.1069 -14.1069 -14.1069 -14.1069 -12.7318 -12.7318 -12.7318 -12.7318 -12.5686 -12.5686 -12.5686 -12.5686 7.0608 7.0608 7.0608 7.0608 9.8403 9.8403 9.8403 9.8403 10.7311 10.7311 10.7311 10.7311 11.7835 11.7835 k = 0.2400 0.1386 0.3182 ( 1824 PWs) bands (ev): -33.1498 -33.1498 -33.1498 -33.1498 -14.1110 -14.1110 -14.1110 -14.1110 -12.7377 -12.7377 -12.7377 -12.7377 -12.5708 -12.5708 -12.5708 -12.5708 7.1178 7.1178 7.1178 7.1178 9.8102 9.8102 9.8102 9.8102 10.7128 10.7128 10.7128 10.7128 11.8256 11.8256 k = 0.2500 0.1443 0.3182 ( 1824 PWs) bands (ev): -33.1487 -33.1487 -33.1487 -33.1487 -14.1151 -14.1151 -14.1151 -14.1151 -12.7436 -12.7436 -12.7436 -12.7436 -12.5730 -12.5730 -12.5730 -12.5730 7.1742 7.1742 7.1742 7.1742 9.7813 9.7813 9.7813 9.7813 10.6963 10.6963 10.6963 10.6963 11.8665 11.8665 k = 0.2600 0.1501 0.3182 ( 1834 PWs) bands (ev): -33.1477 -33.1477 -33.1477 -33.1477 -14.1192 -14.1192 -14.1192 -14.1192 -12.7497 -12.7497 -12.7497 -12.7497 -12.5750 -12.5750 -12.5750 -12.5750 7.2298 7.2298 7.2298 7.2298 9.7538 9.7538 9.7538 9.7538 10.6818 10.6818 10.6818 10.6818 11.9058 11.9058 k = 0.2700 0.1559 0.3182 ( 1834 PWs) bands (ev): -33.1466 -33.1466 -33.1466 -33.1466 -14.1233 -14.1233 -14.1233 -14.1233 -12.7557 -12.7557 -12.7557 -12.7557 -12.5770 -12.5770 -12.5770 -12.5770 7.2840 7.2840 7.2840 7.2840 9.7280 9.7280 9.7280 9.7280 10.6694 10.6694 10.6694 10.6694 11.9433 11.9433 k = 0.2800 0.1617 0.3182 ( 1836 PWs) bands (ev): -33.1455 -33.1455 -33.1455 -33.1455 -14.1275 -14.1275 -14.1275 -14.1275 -12.7618 -12.7618 -12.7618 -12.7618 -12.5788 -12.5788 -12.5788 -12.5788 7.3366 7.3366 7.3366 7.3366 9.7039 9.7039 9.7039 9.7039 10.6594 10.6594 10.6594 10.6594 11.9785 11.9785 k = 0.2900 0.1674 0.3182 ( 1836 PWs) bands (ev): -33.1444 -33.1444 -33.1444 -33.1444 -14.1316 -14.1316 -14.1316 -14.1316 -12.7679 -12.7679 -12.7679 -12.7679 -12.5804 -12.5804 -12.5804 -12.5804 7.3872 7.3872 7.3872 7.3872 9.6815 9.6815 9.6815 9.6815 10.6517 10.6517 10.6517 10.6517 12.0114 12.0114 k = 0.3000 0.1732 0.3182 ( 1840 PWs) bands (ev): -33.1434 -33.1434 -33.1434 -33.1434 -14.1357 -14.1357 -14.1357 -14.1357 -12.7738 -12.7738 -12.7738 -12.7738 -12.5820 -12.5820 -12.5820 -12.5820 7.4356 7.4356 7.4356 7.4356 9.6610 9.6610 9.6610 9.6610 10.6466 10.6466 10.6466 10.6466 12.0417 12.0417 k = 0.3100 0.1790 0.3182 ( 1838 PWs) bands (ev): -33.1424 -33.1424 -33.1424 -33.1424 -14.1397 -14.1397 -14.1397 -14.1397 -12.7797 -12.7797 -12.7797 -12.7797 -12.5834 -12.5834 -12.5834 -12.5834 7.4814 7.4814 7.4814 7.4814 9.6423 9.6423 9.6423 9.6423 10.6441 10.6441 10.6441 10.6441 12.0693 12.0693 k = 0.3200 0.1848 0.3182 ( 1830 PWs) bands (ev): -33.1413 -33.1413 -33.1413 -33.1413 -14.1437 -14.1437 -14.1437 -14.1437 -12.7855 -12.7855 -12.7855 -12.7855 -12.5848 -12.5848 -12.5848 -12.5848 7.5243 7.5243 7.5243 7.5243 9.6254 9.6254 9.6254 9.6254 10.6442 10.6442 10.6442 10.6442 12.0941 12.0941 k = 0.3300 0.1905 0.3182 ( 1830 PWs) bands (ev): -33.1403 -33.1403 -33.1403 -33.1403 -14.1476 -14.1476 -14.1476 -14.1476 -12.7911 -12.7911 -12.7911 -12.7911 -12.5860 -12.5860 -12.5860 -12.5860 7.5643 7.5643 7.5643 7.5643 9.6104 9.6104 9.6104 9.6104 10.6469 10.6469 10.6469 10.6469 12.1163 12.1163 k = 0.3400 0.1963 0.3182 ( 1834 PWs) bands (ev): -33.1394 -33.1394 -33.1394 -33.1394 -14.1513 -14.1513 -14.1513 -14.1513 -12.7965 -12.7965 -12.7965 -12.7965 -12.5872 -12.5872 -12.5872 -12.5872 7.6012 7.6012 7.6012 7.6012 9.5970 9.5970 9.5970 9.5970 10.6521 10.6521 10.6521 10.6521 12.1358 12.1358 k = 0.3500 0.2021 0.3182 ( 1838 PWs) bands (ev): -33.1385 -33.1385 -33.1385 -33.1385 -14.1550 -14.1550 -14.1550 -14.1550 -12.8017 -12.8017 -12.8017 -12.8017 -12.5882 -12.5882 -12.5882 -12.5882 7.6348 7.6348 7.6348 7.6348 9.5852 9.5852 9.5852 9.5852 10.6597 10.6597 10.6597 10.6597 12.1527 12.1527 k = 0.3600 0.2078 0.3182 ( 1838 PWs) bands (ev): -33.1376 -33.1376 -33.1376 -33.1376 -14.1585 -14.1585 -14.1585 -14.1585 -12.8067 -12.8067 -12.8067 -12.8067 -12.5892 -12.5892 -12.5892 -12.5892 7.6653 7.6653 7.6653 7.6653 9.5750 9.5750 9.5750 9.5750 10.6694 10.6694 10.6694 10.6694 12.1674 12.1674 k = 0.3700 0.2136 0.3182 ( 1836 PWs) bands (ev): -33.1368 -33.1368 -33.1368 -33.1368 -14.1618 -14.1618 -14.1618 -14.1618 -12.8114 -12.8114 -12.8114 -12.8114 -12.5901 -12.5901 -12.5901 -12.5901 7.6926 7.6926 7.6926 7.6926 9.5660 9.5660 9.5660 9.5660 10.6811 10.6811 10.6811 10.6811 12.1799 12.1799 k = 0.3800 0.2194 0.3182 ( 1836 PWs) bands (ev): -33.1360 -33.1360 -33.1360 -33.1360 -14.1650 -14.1650 -14.1650 -14.1650 -12.8159 -12.8159 -12.8159 -12.8159 -12.5909 -12.5909 -12.5909 -12.5909 7.7168 7.7168 7.7168 7.7168 9.5583 9.5583 9.5583 9.5583 10.6942 10.6942 10.6942 10.6942 12.1904 12.1904 k = 0.3900 0.2252 0.3182 ( 1844 PWs) bands (ev): -33.1354 -33.1354 -33.1354 -33.1354 -14.1679 -14.1679 -14.1679 -14.1679 -12.8201 -12.8201 -12.8201 -12.8201 -12.5916 -12.5916 -12.5916 -12.5916 7.7381 7.7381 7.7381 7.7381 9.5517 9.5517 9.5517 9.5517 10.7086 10.7086 10.7086 10.7086 12.1992 12.1992 k = 0.4000 0.2309 0.3182 ( 1844 PWs) bands (ev): -33.1347 -33.1347 -33.1347 -33.1347 -14.1707 -14.1707 -14.1707 -14.1707 -12.8239 -12.8239 -12.8239 -12.8239 -12.5923 -12.5923 -12.5923 -12.5923 7.7566 7.7566 7.7566 7.7566 9.5460 9.5460 9.5460 9.5460 10.7237 10.7237 10.7237 10.7237 12.2065 12.2065 k = 0.4100 0.2367 0.3182 ( 1836 PWs) bands (ev): -33.1340 -33.1340 -33.1340 -33.1340 -14.1733 -14.1733 -14.1733 -14.1733 -12.8275 -12.8275 -12.8275 -12.8275 -12.5929 -12.5929 -12.5929 -12.5929 7.7725 7.7725 7.7725 7.7725 9.5411 9.5411 9.5411 9.5411 10.7392 10.7392 10.7392 10.7392 12.2125 12.2125 k = 0.4200 0.2425 0.3182 ( 1832 PWs) bands (ev): -33.1334 -33.1334 -33.1334 -33.1334 -14.1756 -14.1756 -14.1756 -14.1756 -12.8307 -12.8307 -12.8307 -12.8307 -12.5934 -12.5934 -12.5934 -12.5934 7.7861 7.7861 7.7861 7.7861 9.5370 9.5370 9.5370 9.5370 10.7546 10.7546 10.7546 10.7546 12.2173 12.2173 k = 0.4300 0.2483 0.3182 ( 1832 PWs) bands (ev): -33.1329 -33.1329 -33.1329 -33.1329 -14.1777 -14.1777 -14.1777 -14.1777 -12.8335 -12.8335 -12.8335 -12.8335 -12.5938 -12.5938 -12.5938 -12.5938 7.7975 7.7975 7.7975 7.7975 9.5336 9.5336 9.5336 9.5336 10.7694 10.7694 10.7694 10.7694 12.2212 12.2212 k = 0.4400 0.2540 0.3182 ( 1828 PWs) bands (ev): -33.1325 -33.1325 -33.1325 -33.1325 -14.1795 -14.1795 -14.1795 -14.1795 -12.8360 -12.8360 -12.8360 -12.8360 -12.5942 -12.5942 -12.5942 -12.5942 7.8069 7.8069 7.8069 7.8069 9.5307 9.5307 9.5307 9.5307 10.7832 10.7832 10.7832 10.7832 12.2242 12.2242 k = 0.4500 0.2598 0.3182 ( 1828 PWs) bands (ev): -33.1321 -33.1321 -33.1321 -33.1321 -14.1810 -14.1810 -14.1810 -14.1810 -12.8382 -12.8382 -12.8382 -12.8382 -12.5945 -12.5945 -12.5945 -12.5945 7.8145 7.8145 7.8145 7.8145 9.5283 9.5283 9.5283 9.5283 10.7957 10.7957 10.7957 10.7957 12.2266 12.2266 k = 0.4600 0.2656 0.3182 ( 1828 PWs) bands (ev): -33.1318 -33.1318 -33.1318 -33.1318 -14.1823 -14.1823 -14.1823 -14.1823 -12.8399 -12.8399 -12.8399 -12.8399 -12.5948 -12.5948 -12.5948 -12.5948 7.8205 7.8205 7.8205 7.8205 9.5264 9.5264 9.5264 9.5264 10.8063 10.8063 10.8063 10.8063 12.2283 12.2283 k = 0.4700 0.2714 0.3182 ( 1828 PWs) bands (ev): -33.1316 -33.1316 -33.1316 -33.1316 -14.1833 -14.1833 -14.1833 -14.1833 -12.8413 -12.8413 -12.8413 -12.8413 -12.5950 -12.5950 -12.5950 -12.5950 7.8250 7.8250 7.8250 7.8250 9.5250 9.5250 9.5250 9.5250 10.8150 10.8150 10.8150 10.8150 12.2296 12.2296 k = 0.4800 0.2771 0.3182 ( 1816 PWs) bands (ev): -33.1313 -33.1313 -33.1313 -33.1313 -14.1840 -14.1840 -14.1840 -14.1840 -12.8423 -12.8423 -12.8423 -12.8423 -12.5951 -12.5951 -12.5951 -12.5951 7.8281 7.8281 7.8281 7.8281 9.5240 9.5240 9.5240 9.5240 10.8213 10.8213 10.8213 10.8213 12.2305 12.2305 k = 0.4900 0.2829 0.3182 ( 1820 PWs) bands (ev): -33.1313 -33.1313 -33.1313 -33.1313 -14.1845 -14.1845 -14.1845 -14.1845 -12.8428 -12.8428 -12.8428 -12.8428 -12.5952 -12.5952 -12.5952 -12.5952 7.8300 7.8300 7.8300 7.8300 9.5233 9.5233 9.5233 9.5233 10.8252 10.8252 10.8252 10.8252 12.2310 12.2310 k = 0.5000 0.2887 0.3182 ( 1828 PWs) bands (ev): -33.1313 -33.1313 -33.1313 -33.1313 -14.1846 -14.1846 -14.1846 -14.1846 -12.8430 -12.8430 -12.8430 -12.8430 -12.5953 -12.5953 -12.5953 -12.5953 7.8306 7.8306 7.8306 7.8306 9.5231 9.5231 9.5231 9.5231 10.8265 10.8265 10.8265 10.8265 12.2312 12.2312 k = 0.5000 0.2887 0.3182 ( 1828 PWs) bands (ev): -33.1313 -33.1313 -33.1313 -33.1313 -14.1846 -14.1846 -14.1846 -14.1846 -12.8430 -12.8430 -12.8430 -12.8430 -12.5953 -12.5953 -12.5953 -12.5953 7.8306 7.8306 7.8306 7.8306 9.5231 9.5231 9.5231 9.5231 10.8265 10.8265 10.8265 10.8265 12.2312 12.2312 k = 0.4943 0.2986 0.3182 ( 1820 PWs) bands (ev): -33.1312 -33.1312 -33.1312 -33.1312 -14.1850 -14.1850 -14.1843 -14.1843 -12.8458 -12.8458 -12.8403 -12.8403 -12.5978 -12.5978 -12.5930 -12.5930 7.8320 7.8320 7.8331 7.8331 9.5230 9.5230 9.5252 9.5252 10.8189 10.8189 10.8242 10.8242 12.2283 12.2284 k = 0.4885 0.3086 0.3182 ( 1820 PWs) bands (ev): -33.1312 -33.1312 -33.1312 -33.1312 -14.1854 -14.1854 -14.1839 -14.1839 -12.8486 -12.8486 -12.8375 -12.8375 -12.6005 -12.6005 -12.5910 -12.5910 7.8374 7.8374 7.8396 7.8396 9.5248 9.5248 9.5291 9.5291 10.8016 10.8016 10.8120 10.8120 12.2278 12.2278 k = 0.4828 0.3185 0.3182 ( 1832 PWs) bands (ev): -33.1312 -33.1312 -33.1312 -33.1312 -14.1859 -14.1859 -14.1836 -14.1836 -12.8514 -12.8514 -12.8348 -12.8348 -12.6035 -12.6035 -12.5892 -12.5892 7.8468 7.8468 7.8500 7.8500 9.5283 9.5283 9.5349 9.5349 10.7752 10.7752 10.7903 10.7903 12.2293 12.2293 k = 0.4770 0.3285 0.3182 ( 1832 PWs) bands (ev): -33.1311 -33.1311 -33.1311 -33.1311 -14.1864 -14.1864 -14.1833 -14.1833 -12.8542 -12.8542 -12.8320 -12.8320 -12.6068 -12.6068 -12.5876 -12.5876 7.8600 7.8600 7.8643 7.8643 9.5338 9.5338 9.5425 9.5425 10.7405 10.7405 10.7599 10.7599 12.2320 12.2320 k = 0.4713 0.3384 0.3182 ( 1832 PWs) bands (ev): -33.1310 -33.1310 -33.1310 -33.1310 -14.1868 -14.1868 -14.1830 -14.1830 -12.8570 -12.8570 -12.8293 -12.8293 -12.6102 -12.6102 -12.5863 -12.5863 7.8771 7.8771 7.8825 7.8825 9.5409 9.5409 9.5519 9.5519 10.6984 10.6984 10.7214 10.7214 12.2353 12.2353 k = 0.4655 0.3484 0.3182 ( 1836 PWs) bands (ev): -33.1309 -33.1309 -33.1309 -33.1309 -14.1873 -14.1873 -14.1828 -14.1828 -12.8598 -12.8598 -12.8266 -12.8266 -12.6139 -12.6139 -12.5852 -12.5852 7.8980 7.8980 7.9045 7.9045 9.5497 9.5497 9.5629 9.5629 10.6498 10.6498 10.6759 10.6759 12.2383 12.2383 k = 0.4598 0.3584 0.3182 ( 1836 PWs) bands (ev): -33.1308 -33.1308 -33.1308 -33.1308 -14.1879 -14.1879 -14.1826 -14.1826 -12.8626 -12.8626 -12.8239 -12.8239 -12.6178 -12.6178 -12.5843 -12.5843 7.9225 7.9225 7.9301 7.9301 9.5601 9.5601 9.5756 9.5756 10.5958 10.5958 10.6245 10.6245 12.2403 12.2403 k = 0.4540 0.3683 0.3182 ( 1842 PWs) bands (ev): -33.1306 -33.1306 -33.1306 -33.1306 -14.1884 -14.1884 -14.1825 -14.1825 -12.8654 -12.8654 -12.8213 -12.8213 -12.6218 -12.6218 -12.5836 -12.5836 7.9507 7.9507 7.9594 7.9594 9.5720 9.5720 9.5897 9.5897 10.5372 10.5372 10.5679 10.5679 12.2407 12.2407 k = 0.4483 0.3783 0.3182 ( 1842 PWs) bands (ev): -33.1305 -33.1305 -33.1305 -33.1305 -14.1890 -14.1890 -14.1823 -14.1823 -12.8681 -12.8681 -12.8186 -12.8186 -12.6260 -12.6260 -12.5831 -12.5831 7.9822 7.9822 7.9921 7.9921 9.5852 9.5852 9.6052 9.6052 10.4749 10.4749 10.5071 10.5071 12.2391 12.2391 k = 0.4425 0.3882 0.3182 ( 1842 PWs) bands (ev): -33.1303 -33.1303 -33.1303 -33.1303 -14.1896 -14.1896 -14.1822 -14.1822 -12.8709 -12.8709 -12.8160 -12.8160 -12.6303 -12.6303 -12.5827 -12.5827 8.0172 8.0172 8.0282 8.0282 9.5995 9.5995 9.6219 9.6219 10.4096 10.4096 10.4430 10.4430 12.2355 12.2355 k = 0.4368 0.3982 0.3182 ( 1842 PWs) bands (ev): -33.1301 -33.1301 -33.1301 -33.1301 -14.1901 -14.1901 -14.1822 -14.1822 -12.8736 -12.8736 -12.8134 -12.8134 -12.6347 -12.6347 -12.5825 -12.5825 8.0553 8.0553 8.0676 8.0676 9.6148 9.6148 9.6395 9.6395 10.3420 10.3420 10.3761 10.3761 12.2297 12.2297 k = 0.4310 0.4081 0.3182 ( 1846 PWs) bands (ev): -33.1299 -33.1299 -33.1299 -33.1299 -14.1907 -14.1907 -14.1822 -14.1822 -12.8763 -12.8763 -12.8109 -12.8109 -12.6392 -12.6392 -12.5824 -12.5824 8.0965 8.0965 8.1100 8.1100 9.6308 9.6308 9.6578 9.6578 10.2726 10.2726 10.3071 10.3071 12.2221 12.2221 k = 0.4253 0.4181 0.3182 ( 1846 PWs) bands (ev): -33.1297 -33.1297 -33.1297 -33.1297 -14.1914 -14.1914 -14.1822 -14.1822 -12.8789 -12.8789 -12.8084 -12.8084 -12.6438 -12.6438 -12.5824 -12.5824 8.1405 8.1405 8.1553 8.1553 9.6473 9.6473 9.6764 9.6764 10.2021 10.2021 10.2367 10.2367 12.2131 12.2131 k = 0.4195 0.4280 0.3182 ( 1844 PWs) bands (ev): -33.1294 -33.1294 -33.1294 -33.1294 -14.1920 -14.1920 -14.1822 -14.1822 -12.8815 -12.8815 -12.8060 -12.8060 -12.6483 -12.6483 -12.5825 -12.5825 8.1873 8.1873 8.2033 8.2033 9.6641 9.6641 9.6951 9.6951 10.1309 10.1309 10.1652 10.1652 12.2031 12.2031 k = 0.4138 0.4380 0.3182 ( 1836 PWs) bands (ev): -33.1292 -33.1292 -33.1292 -33.1292 -14.1926 -14.1926 -14.1823 -14.1823 -12.8840 -12.8840 -12.8036 -12.8036 -12.6528 -12.6528 -12.5826 -12.5826 8.2365 8.2365 8.2539 8.2539 9.6806 9.6806 9.7133 9.7133 10.0599 10.0599 10.0932 10.0932 12.1927 12.1927 k = 0.4080 0.4479 0.3182 ( 1836 PWs) bands (ev): -33.1289 -33.1289 -33.1289 -33.1289 -14.1932 -14.1932 -14.1824 -14.1824 -12.8864 -12.8864 -12.8013 -12.8013 -12.6573 -12.6573 -12.5829 -12.5829 8.2881 8.2881 8.3069 8.3069 9.6966 9.6966 9.7298 9.7298 9.9899 9.9899 10.0213 10.0213 12.1825 12.1825 k = 0.4023 0.4579 0.3182 ( 1836 PWs) bands (ev): -33.1287 -33.1287 -33.1287 -33.1287 -14.1938 -14.1938 -14.1826 -14.1826 -12.8888 -12.8888 -12.7992 -12.7992 -12.6616 -12.6616 -12.5832 -12.5832 8.3419 8.3419 8.3620 8.3620 9.7111 9.7111 9.7425 9.7425 9.9233 9.9233 9.9501 9.9501 12.1729 12.1729 k = 0.3966 0.4679 0.3182 ( 1836 PWs) bands (ev): -33.1285 -33.1285 -33.1285 -33.1285 -14.1944 -14.1944 -14.1827 -14.1827 -12.8910 -12.8910 -12.7971 -12.7971 -12.6658 -12.6658 -12.5835 -12.5835 8.3976 8.3976 8.4191 8.4191 9.7225 9.7225 9.7444 9.7444 9.8670 9.8670 9.8815 9.8815 12.1646 12.1646 k = 0.3908 0.4778 0.3182 ( 1838 PWs) bands (ev): -33.1283 -33.1283 -33.1283 -33.1283 -14.1950 -14.1950 -14.1829 -14.1829 -12.8931 -12.8931 -12.7951 -12.7951 -12.6698 -12.6698 -12.5838 -12.5838 8.4550 8.4550 8.4779 8.4779 9.7187 9.7187 9.7242 9.7242 9.8220 9.8220 9.8376 9.8376 12.1578 12.1578 k = 0.3851 0.4878 0.3182 ( 1840 PWs) bands (ev): -33.1281 -33.1281 -33.1281 -33.1281 -14.1956 -14.1956 -14.1831 -14.1831 -12.8951 -12.8951 -12.7933 -12.7933 -12.6736 -12.6736 -12.5841 -12.5841 8.5139 8.5139 8.5383 8.5383 9.6649 9.6649 9.6959 9.6959 9.7917 9.7917 9.8356 9.8356 12.1529 12.1529 k = 0.3793 0.4977 0.3182 ( 1844 PWs) bands (ev): -33.1279 -33.1279 -33.1279 -33.1279 -14.1961 -14.1961 -14.1833 -14.1833 -12.8970 -12.8970 -12.7917 -12.7917 -12.6771 -12.6771 -12.5845 -12.5845 8.5741 8.5741 8.5999 8.5999 9.6007 9.6007 9.6381 9.6381 9.7902 9.7902 9.8432 9.8432 12.1500 12.1500 k = 0.3736 0.5077 0.3182 ( 1840 PWs) bands (ev): -33.1277 -33.1277 -33.1277 -33.1277 -14.1967 -14.1967 -14.1836 -14.1836 -12.8987 -12.8987 -12.7902 -12.7902 -12.6802 -12.6802 -12.5848 -12.5848 8.6354 8.6354 8.6626 8.6626 9.5337 9.5337 9.5720 9.5720 9.7962 9.7962 9.8527 9.8527 12.1491 12.1491 k = 0.3678 0.5176 0.3182 ( 1844 PWs) bands (ev): -33.1275 -33.1275 -33.1275 -33.1275 -14.1971 -14.1971 -14.1838 -14.1838 -12.9002 -12.9002 -12.7890 -12.7890 -12.6830 -12.6830 -12.5851 -12.5851 8.6976 8.6976 8.7262 8.7262 9.4662 9.4662 9.5042 9.5042 9.8031 9.8031 9.8618 9.8618 12.1501 12.1501 k = 0.3621 0.5276 0.3182 ( 1844 PWs) bands (ev): -33.1274 -33.1274 -33.1274 -33.1274 -14.1976 -14.1976 -14.1840 -14.1840 -12.9015 -12.9015 -12.7879 -12.7879 -12.6855 -12.6855 -12.5853 -12.5853 8.7603 8.7603 8.7904 8.7904 9.3991 9.3991 9.4365 9.4365 9.8091 9.8091 9.8697 9.8697 12.1527 12.1527 k = 0.3563 0.5375 0.3182 ( 1840 PWs) bands (ev): -33.1272 -33.1272 -33.1272 -33.1272 -14.1979 -14.1979 -14.1842 -14.1842 -12.9026 -12.9026 -12.7871 -12.7871 -12.6874 -12.6874 -12.5856 -12.5856 8.8234 8.8234 8.8549 8.8549 9.3327 9.3327 9.3694 9.3694 9.8139 9.8139 9.8760 9.8760 12.1563 12.1563 k = 0.3506 0.5475 0.3182 ( 1840 PWs) bands (ev): -33.1271 -33.1271 -33.1271 -33.1271 -14.1982 -14.1982 -14.1844 -14.1844 -12.9034 -12.9034 -12.7864 -12.7864 -12.6890 -12.6890 -12.5857 -12.5857 8.8865 8.8865 8.9196 8.9196 9.2673 9.2673 9.3032 9.3032 9.8173 9.8173 9.8807 9.8807 12.1603 12.1603 k = 0.3448 0.5574 0.3182 ( 1840 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1985 -14.1985 -14.1845 -14.1845 -12.9041 -12.9041 -12.7860 -12.7860 -12.6901 -12.6901 -12.5859 -12.5859 8.9492 8.9492 8.9840 8.9840 9.2033 9.2033 9.2380 9.2380 9.8195 9.8195 9.8837 9.8837 12.1641 12.1641 k = 0.3391 0.5674 0.3182 ( 1848 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1986 -14.1986 -14.1846 -14.1846 -12.9045 -12.9045 -12.7858 -12.7858 -12.6908 -12.6908 -12.5859 -12.5859 9.0105 9.0105 9.0479 9.0479 9.1415 9.1415 9.1739 9.1739 9.8205 9.8205 9.8853 9.8853 12.1669 12.1669 k = 0.3333 0.5774 0.3182 ( 1848 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1987 -14.1987 -14.1846 -14.1846 -12.9046 -12.9046 -12.7857 -12.7857 -12.6910 -12.6910 -12.5860 -12.5860 9.0554 9.0554 9.0965 9.0965 9.1100 9.1100 9.1118 9.1118 9.8207 9.8207 9.8858 9.8858 12.1680 12.1680 k = 0.3333 0.5774 0.3182 ( 1848 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1987 -14.1987 -14.1846 -14.1846 -12.9046 -12.9046 -12.7857 -12.7857 -12.6910 -12.6910 -12.5860 -12.5860 9.0554 9.0554 9.0965 9.0965 9.1100 9.1100 9.1118 9.1118 9.8207 9.8207 9.8858 9.8858 12.1680 12.1680 k = 0.3276 0.5674 0.3182 ( 1846 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1986 -14.1986 -14.1846 -14.1846 -12.9045 -12.9045 -12.7858 -12.7858 -12.6908 -12.6908 -12.5859 -12.5859 9.0115 9.0115 9.0491 9.0491 9.1404 9.1404 9.1725 9.1725 9.8206 9.8206 9.8854 9.8854 12.1667 12.1667 k = 0.3218 0.5574 0.3182 ( 1846 PWs) bands (ev): -33.1271 -33.1271 -33.1271 -33.1271 -14.1985 -14.1985 -14.1845 -14.1845 -12.9041 -12.9041 -12.7859 -12.7859 -12.6902 -12.6902 -12.5859 -12.5859 8.9532 8.9532 8.9884 8.9884 9.1984 9.1984 9.2323 9.2323 9.8208 9.8208 9.8848 9.8848 12.1626 12.1626 k = 0.3161 0.5475 0.3182 ( 1842 PWs) bands (ev): -33.1271 -33.1271 -33.1271 -33.1271 -14.1982 -14.1982 -14.1843 -14.1843 -12.9034 -12.9034 -12.7861 -12.7861 -12.6892 -12.6892 -12.5857 -12.5857 8.8949 8.8949 8.9288 8.9288 9.2554 9.2554 9.2894 9.2894 9.8219 9.8219 9.8843 9.8843 12.1553 12.1553 k = 0.3103 0.5375 0.3182 ( 1846 PWs) bands (ev): -33.1273 -33.1273 -33.1273 -33.1273 -14.1977 -14.1977 -14.1840 -14.1840 -12.9024 -12.9024 -12.7863 -12.7863 -12.6879 -12.6879 -12.5855 -12.5855 8.8375 8.8375 8.8703 8.8703 9.3101 9.3101 9.3432 9.3432 9.8248 9.8248 9.8847 9.8847 12.1449 12.1449 k = 0.3046 0.5276 0.3182 ( 1842 PWs) bands (ev): -33.1274 -33.1274 -33.1274 -33.1274 -14.1972 -14.1972 -14.1835 -14.1835 -12.9011 -12.9011 -12.7865 -12.7865 -12.6863 -12.6863 -12.5853 -12.5853 8.7810 8.7810 8.8128 8.8128 9.3616 9.3616 9.3924 9.3924 9.8307 9.8307 9.8868 9.8868 12.1314 12.1314 k = 0.2989 0.5176 0.3182 ( 1842 PWs) bands (ev): -33.1277 -33.1277 -33.1277 -33.1277 -14.1964 -14.1964 -14.1830 -14.1830 -12.8994 -12.8994 -12.7867 -12.7867 -12.6845 -12.6845 -12.5850 -12.5850 8.7255 8.7255 8.7563 8.7563 9.4091 9.4091 9.4361 9.4361 9.8407 9.8407 9.8914 9.8914 12.1152 12.1152 k = 0.2931 0.5077 0.3182 ( 1842 PWs) bands (ev): -33.1279 -33.1279 -33.1279 -33.1279 -14.1955 -14.1955 -14.1823 -14.1823 -12.8975 -12.8975 -12.7867 -12.7867 -12.6824 -12.6824 -12.5846 -12.5846 8.6707 8.6707 8.7005 8.7005 9.4515 9.4515 9.4730 9.4730 9.8559 9.8559 9.8994 9.8994 12.0969 12.0969 k = 0.2874 0.4977 0.3182 ( 1838 PWs) bands (ev): -33.1282 -33.1282 -33.1282 -33.1282 -14.1945 -14.1945 -14.1815 -14.1815 -12.8953 -12.8953 -12.7866 -12.7866 -12.6801 -12.6801 -12.5842 -12.5842 8.6168 8.6168 8.6456 8.6456 9.4881 9.4881 9.5025 9.5025 9.8771 9.8771 9.9118 9.9118 12.0771 12.0771 k = 0.2816 0.4878 0.3182 ( 1834 PWs) bands (ev): -33.1285 -33.1285 -33.1285 -33.1285 -14.1933 -14.1933 -14.1806 -14.1806 -12.8927 -12.8927 -12.7863 -12.7863 -12.6776 -12.6776 -12.5838 -12.5838 8.5634 8.5634 8.5912 8.5912 9.5183 9.5183 9.5247 9.5247 9.9042 9.9042 9.9290 9.9290 12.0564 12.0564 k = 0.2759 0.4778 0.3182 ( 1838 PWs) bands (ev): -33.1289 -33.1289 -33.1289 -33.1289 -14.1919 -14.1919 -14.1795 -14.1795 -12.8899 -12.8899 -12.7859 -12.7859 -12.6750 -12.6750 -12.5833 -12.5833 8.5106 8.5106 8.5373 8.5373 9.5402 9.5402 9.5421 9.5421 9.9364 9.9364 9.9512 9.9512 12.0356 12.0356 k = 0.2701 0.4679 0.3182 ( 1834 PWs) bands (ev): -33.1294 -33.1294 -33.1294 -33.1294 -14.1903 -14.1903 -14.1782 -14.1782 -12.8867 -12.8867 -12.7853 -12.7853 -12.6723 -12.6723 -12.5828 -12.5828 8.4582 8.4582 8.4839 8.4839 9.5506 9.5506 9.5598 9.5598 9.9723 9.9723 9.9779 9.9779 12.0153 12.0153 k = 0.2644 0.4579 0.3182 ( 1832 PWs) bands (ev): -33.1299 -33.1299 -33.1299 -33.1299 -14.1885 -14.1885 -14.1768 -14.1768 -12.8832 -12.8832 -12.7844 -12.7844 -12.6694 -12.6694 -12.5822 -12.5822 8.4061 8.4061 8.4306 8.4306 9.5572 9.5572 9.5725 9.5725 10.0081 10.0081 10.0104 10.0104 11.9961 11.9961 k = 0.2586 0.4479 0.3182 ( 1832 PWs) bands (ev): -33.1304 -33.1304 -33.1304 -33.1304 -14.1865 -14.1865 -14.1751 -14.1751 -12.8795 -12.8795 -12.7834 -12.7834 -12.6664 -12.6664 -12.5816 -12.5816 8.3541 8.3541 8.3774 8.3774 9.5612 9.5612 9.5814 9.5814 10.0407 10.0407 10.0496 10.0496 11.9787 11.9787 k = 0.2529 0.4380 0.3182 ( 1832 PWs) bands (ev): -33.1310 -33.1310 -33.1310 -33.1310 -14.1844 -14.1844 -14.1734 -14.1734 -12.8754 -12.8754 -12.7821 -12.7821 -12.6633 -12.6633 -12.5809 -12.5809 8.3020 8.3020 8.3242 8.3242 9.5638 9.5638 9.5874 9.5874 10.0746 10.0746 10.0887 10.0887 11.9634 11.9634 k = 0.2471 0.4280 0.3182 ( 1832 PWs) bands (ev): -33.1316 -33.1316 -33.1316 -33.1316 -14.1820 -14.1820 -14.1714 -14.1714 -12.8710 -12.8710 -12.7806 -12.7806 -12.6601 -12.6601 -12.5802 -12.5802 8.2497 8.2497 8.2707 8.2707 9.5656 9.5656 9.5917 9.5917 10.1090 10.1090 10.1271 10.1271 11.9506 11.9506 k = 0.2414 0.4181 0.3182 ( 1826 PWs) bands (ev): -33.1323 -33.1323 -33.1323 -33.1323 -14.1795 -14.1795 -14.1693 -14.1693 -12.8664 -12.8664 -12.7789 -12.7789 -12.6568 -12.6568 -12.5795 -12.5795 8.1971 8.1971 8.2169 8.2169 9.5674 9.5674 9.5950 9.5950 10.1431 10.1431 10.1643 10.1643 11.9404 11.9404 k = 0.2356 0.4081 0.3182 ( 1828 PWs) bands (ev): -33.1330 -33.1330 -33.1330 -33.1330 -14.1767 -14.1767 -14.1670 -14.1670 -12.8615 -12.8615 -12.7770 -12.7770 -12.6535 -12.6535 -12.5787 -12.5787 8.1441 8.1441 8.1626 8.1626 9.5694 9.5694 9.5979 9.5979 10.1764 10.1764 10.1999 10.1999 11.9331 11.9331 k = 0.2299 0.3982 0.3182 ( 1828 PWs) bands (ev): -33.1337 -33.1337 -33.1337 -33.1337 -14.1738 -14.1738 -14.1645 -14.1645 -12.8563 -12.8563 -12.7748 -12.7748 -12.6501 -12.6501 -12.5779 -12.5779 8.0904 8.0904 8.1078 8.1078 9.5722 9.5722 9.6009 9.6009 10.2088 10.2088 10.2338 10.2338 11.9285 11.9285 k = 0.2241 0.3882 0.3182 ( 1828 PWs) bands (ev): -33.1345 -33.1345 -33.1345 -33.1345 -14.1708 -14.1708 -14.1618 -14.1618 -12.8508 -12.8508 -12.7724 -12.7724 -12.6467 -12.6467 -12.5771 -12.5771 8.0361 8.0361 8.0522 8.0522 9.5759 9.5759 9.6045 9.6045 10.2399 10.2399 10.2660 10.2660 11.9263 11.9263 k = 0.2184 0.3783 0.3182 ( 1824 PWs) bands (ev): -33.1354 -33.1354 -33.1354 -33.1354 -14.1675 -14.1675 -14.1590 -14.1590 -12.8452 -12.8452 -12.7698 -12.7698 -12.6432 -12.6432 -12.5762 -12.5762 7.9809 7.9809 7.9959 7.9959 9.5808 9.5808 9.6090 9.6090 10.2699 10.2699 10.2964 10.2964 11.9263 11.9263 k = 0.2126 0.3683 0.3182 ( 1832 PWs) bands (ev): -33.1363 -33.1363 -33.1363 -33.1363 -14.1641 -14.1641 -14.1561 -14.1561 -12.8392 -12.8392 -12.7670 -12.7670 -12.6396 -12.6396 -12.5753 -12.5753 7.9249 7.9249 7.9387 7.9387 9.5871 9.5871 9.6145 9.6145 10.2987 10.2987 10.3253 10.3253 11.9279 11.9279 k = 0.2069 0.3584 0.3182 ( 1836 PWs) bands (ev): -33.1372 -33.1372 -33.1372 -33.1372 -14.1606 -14.1606 -14.1530 -14.1530 -12.8331 -12.8331 -12.7640 -12.7640 -12.6360 -12.6360 -12.5744 -12.5744 7.8680 7.8680 7.8807 7.8807 9.5949 9.5949 9.6213 9.6213 10.3265 10.3265 10.3529 10.3529 11.9306 11.9306 k = 0.2011 0.3484 0.3182 ( 1836 PWs) bands (ev): -33.1382 -33.1382 -33.1382 -33.1382 -14.1569 -14.1569 -14.1497 -14.1497 -12.8268 -12.8268 -12.7608 -12.7608 -12.6323 -12.6323 -12.5735 -12.5735 7.8102 7.8102 7.8218 7.8218 9.6043 9.6043 9.6296 9.6296 10.3535 10.3535 10.3793 10.3793 11.9336 11.9336 k = 0.1954 0.3384 0.3182 ( 1836 PWs) bands (ev): -33.1392 -33.1392 -33.1392 -33.1392 -14.1531 -14.1531 -14.1463 -14.1463 -12.8203 -12.8203 -12.7575 -12.7575 -12.6286 -12.6286 -12.5725 -12.5725 7.7515 7.7515 7.7620 7.7620 9.6154 9.6154 9.6394 9.6394 10.3798 10.3798 10.4049 10.4049 11.9362 11.9362 k = 0.1897 0.3285 0.3182 ( 1836 PWs) bands (ev): -33.1402 -33.1402 -33.1402 -33.1402 -14.1492 -14.1492 -14.1429 -14.1429 -12.8136 -12.8136 -12.7540 -12.7540 -12.6248 -12.6248 -12.5714 -12.5714 7.6918 7.6918 7.7013 7.7013 9.6283 9.6283 9.6510 9.6510 10.4058 10.4058 10.4299 10.4299 11.9375 11.9375 k = 0.1839 0.3185 0.3182 ( 1844 PWs) bands (ev): -33.1412 -33.1412 -33.1412 -33.1412 -14.1452 -14.1452 -14.1393 -14.1393 -12.8068 -12.8068 -12.7503 -12.7503 -12.6210 -12.6210 -12.5704 -12.5704 7.6314 7.6314 7.6399 7.6399 9.6429 9.6429 9.6642 9.6642 10.4315 10.4315 10.4545 10.4545 11.9368 11.9368 k = 0.1782 0.3086 0.3182 ( 1836 PWs) bands (ev): -33.1422 -33.1422 -33.1422 -33.1422 -14.1411 -14.1411 -14.1356 -14.1356 -12.7999 -12.7999 -12.7466 -12.7466 -12.6171 -12.6171 -12.5692 -12.5692 7.5702 7.5702 7.5779 7.5779 9.6594 9.6594 9.6793 9.6793 10.4573 10.4573 10.4791 10.4791 11.9333 11.9333 k = 0.1724 0.2986 0.3182 ( 1832 PWs) bands (ev): -33.1433 -33.1433 -33.1433 -33.1433 -14.1370 -14.1370 -14.1319 -14.1319 -12.7929 -12.7929 -12.7427 -12.7427 -12.6132 -12.6132 -12.5681 -12.5681 7.5084 7.5084 7.5153 7.5153 9.6776 9.6776 9.6961 9.6961 10.4832 10.4832 10.5037 10.5037 11.9264 11.9264 k = 0.1667 0.2887 0.3182 ( 1836 PWs) bands (ev): -33.1444 -33.1444 -33.1444 -33.1444 -14.1328 -14.1328 -14.1281 -14.1281 -12.7858 -12.7858 -12.7388 -12.7388 -12.6093 -12.6093 -12.5669 -12.5669 7.4461 7.4461 7.4522 7.4522 9.6977 9.6977 9.7148 9.7148 10.5093 10.5093 10.5286 10.5286 11.9155 11.9155 k = 0.1609 0.2787 0.3182 ( 1832 PWs) bands (ev): -33.1455 -33.1455 -33.1455 -33.1455 -14.1286 -14.1286 -14.1243 -14.1243 -12.7787 -12.7787 -12.7347 -12.7347 -12.6052 -12.6052 -12.5656 -12.5656 7.3835 7.3835 7.3889 7.3889 9.7194 9.7194 9.7352 9.7352 10.5359 10.5359 10.5539 10.5539 11.9003 11.9003 k = 0.1552 0.2688 0.3182 ( 1832 PWs) bands (ev): -33.1466 -33.1466 -33.1466 -33.1466 -14.1243 -14.1243 -14.1204 -14.1204 -12.7715 -12.7715 -12.7307 -12.7307 -12.6012 -12.6012 -12.5643 -12.5643 7.3207 7.3207 7.3254 7.3254 9.7428 9.7428 9.7573 9.7573 10.5628 10.5628 10.5796 10.5796 11.8807 11.8807 k = 0.1494 0.2588 0.3182 ( 1828 PWs) bands (ev): -33.1477 -33.1477 -33.1477 -33.1477 -14.1201 -14.1201 -14.1165 -14.1165 -12.7644 -12.7644 -12.7266 -12.7266 -12.5971 -12.5971 -12.5629 -12.5629 7.2579 7.2579 7.2620 7.2620 9.7678 9.7678 9.7810 9.7810 10.5903 10.5903 10.6058 10.6058 11.8568 11.8568 k = 0.1437 0.2489 0.3182 ( 1832 PWs) bands (ev): -33.1488 -33.1488 -33.1488 -33.1488 -14.1159 -14.1159 -14.1126 -14.1126 -12.7573 -12.7573 -12.7226 -12.7226 -12.5929 -12.5929 -12.5614 -12.5614 7.1953 7.1953 7.1989 7.1989 9.7943 9.7943 9.8062 9.8062 10.6182 10.6182 10.6325 10.6325 11.8288 11.8288 k = 0.1379 0.2389 0.3182 ( 1832 PWs) bands (ev): -33.1499 -33.1499 -33.1499 -33.1499 -14.1117 -14.1117 -14.1088 -14.1088 -12.7503 -12.7503 -12.7185 -12.7185 -12.5888 -12.5888 -12.5599 -12.5599 7.1330 7.1330 7.1361 7.1361 9.8221 9.8221 9.8329 9.8329 10.6466 10.6466 10.6597 10.6597 11.7972 11.7972 k = 0.1322 0.2289 0.3182 ( 1828 PWs) bands (ev): -33.1510 -33.1510 -33.1510 -33.1510 -14.1076 -14.1076 -14.1050 -14.1050 -12.7434 -12.7434 -12.7145 -12.7145 -12.5846 -12.5846 -12.5583 -12.5583 7.0714 7.0714 7.0740 7.0740 9.8512 9.8512 9.8609 9.8609 10.6753 10.6753 10.6873 10.6873 11.7624 11.7624 k = 0.1264 0.2190 0.3182 ( 1828 PWs) bands (ev): -33.1521 -33.1521 -33.1521 -33.1521 -14.1035 -14.1035 -14.1012 -14.1012 -12.7367 -12.7367 -12.7106 -12.7106 -12.5803 -12.5803 -12.5566 -12.5566 7.0105 7.0105 7.0128 7.0128 9.8813 9.8813 9.8900 9.8900 10.7044 10.7044 10.7153 10.7153 11.7251 11.7251 k = 0.1207 0.2090 0.3182 ( 1836 PWs) bands (ev): -33.1532 -33.1532 -33.1532 -33.1532 -14.0995 -14.0995 -14.0975 -14.0975 -12.7301 -12.7301 -12.7067 -12.7067 -12.5761 -12.5761 -12.5548 -12.5548 6.9506 6.9506 6.9526 6.9526 9.9124 9.9124 9.9201 9.9201 10.7336 10.7336 10.7435 10.7435 11.6860 11.6860 k = 0.1149 0.1991 0.3182 ( 1832 PWs) bands (ev): -33.1542 -33.1542 -33.1542 -33.1542 -14.0957 -14.0957 -14.0939 -14.0939 -12.7237 -12.7237 -12.7030 -12.7030 -12.5718 -12.5718 -12.5529 -12.5529 6.8920 6.8920 6.8936 6.8936 9.9443 9.9443 9.9510 9.9510 10.7629 10.7629 10.7718 10.7718 11.6456 11.6456 k = 0.1092 0.1891 0.3182 ( 1826 PWs) bands (ev): -33.1552 -33.1552 -33.1552 -33.1552 -14.0919 -14.0919 -14.0903 -14.0903 -12.7175 -12.7175 -12.6993 -12.6993 -12.5676 -12.5676 -12.5509 -12.5509 6.8347 6.8347 6.8361 6.8361 9.9767 9.9767 9.9826 9.9826 10.7920 10.7920 10.8001 10.8001 11.6044 11.6046 k = 0.1034 0.1792 0.3182 ( 1826 PWs) bands (ev): -33.1562 -33.1562 -33.1562 -33.1562 -14.0882 -14.0882 -14.0869 -14.0869 -12.7116 -12.7116 -12.6958 -12.6958 -12.5634 -12.5634 -12.5489 -12.5489 6.7791 6.7791 6.7802 6.7802 10.0095 10.0095 10.0146 10.0146 10.8209 10.8209 10.8282 10.8282 11.5632 11.5633 k = 0.0977 0.1692 0.3182 ( 1824 PWs) bands (ev): -33.1571 -33.1571 -33.1571 -33.1571 -14.0847 -14.0847 -14.0836 -14.0836 -12.7060 -12.7060 -12.6924 -12.6924 -12.5593 -12.5593 -12.5468 -12.5468 6.7252 6.7252 6.7262 6.7262 10.0424 10.0424 10.0469 10.0469 10.8494 10.8494 10.8559 10.8559 11.5222 11.5223 k = 0.0920 0.1593 0.3182 ( 1824 PWs) bands (ev): -33.1581 -33.1581 -33.1581 -33.1581 -14.0814 -14.0814 -14.0804 -14.0804 -12.7007 -12.7007 -12.6892 -12.6892 -12.5552 -12.5552 -12.5445 -12.5445 6.6733 6.6733 6.6741 6.6741 10.0753 10.0753 10.0791 10.0791 10.8773 10.8773 10.8831 10.8831 11.4821 11.4824 k = 0.0862 0.1493 0.3182 ( 1824 PWs) bands (ev): -33.1590 -33.1590 -33.1590 -33.1590 -14.0782 -14.0782 -14.0773 -14.0773 -12.6958 -12.6958 -12.6861 -12.6861 -12.5512 -12.5512 -12.5423 -12.5423 6.6237 6.6237 6.6243 6.6243 10.1079 10.1079 10.1112 10.1112 10.9044 10.9044 10.9095 10.9095 11.4431 11.4434 k = 0.0805 0.1394 0.3182 ( 1828 PWs) bands (ev): -33.1599 -33.1599 -33.1599 -33.1599 -14.0751 -14.0751 -14.0744 -14.0744 -12.6912 -12.6912 -12.6832 -12.6832 -12.5473 -12.5473 -12.5400 -12.5400 6.5763 6.5763 6.5768 6.5768 10.1401 10.1401 10.1427 10.1427 10.9305 10.9305 10.9350 10.9350 11.4055 11.4056 k = 0.0747 0.1294 0.3182 ( 1832 PWs) bands (ev): -33.1607 -33.1607 -33.1607 -33.1607 -14.0723 -14.0723 -14.0717 -14.0717 -12.6869 -12.6869 -12.6804 -12.6804 -12.5436 -12.5436 -12.5376 -12.5376 6.5315 6.5315 6.5319 6.5319 10.1714 10.1714 10.1736 10.1736 10.9555 10.9555 10.9594 10.9594 11.3698 11.3698 k = 0.0690 0.1195 0.3182 ( 1832 PWs) bands (ev): -33.1615 -33.1615 -33.1615 -33.1615 -14.0696 -14.0696 -14.0691 -14.0691 -12.6830 -12.6830 -12.6779 -12.6779 -12.5400 -12.5400 -12.5353 -12.5353 6.4893 6.4893 6.4896 6.4896 10.2018 10.2018 10.2036 10.2036 10.9791 10.9791 10.9825 10.9825 11.3361 11.3381 k = 0.0632 0.1095 0.3182 ( 1836 PWs) bands (ev): -33.1622 -33.1622 -33.1622 -33.1622 -14.0671 -14.0671 -14.0668 -14.0668 -12.6795 -12.6795 -12.6755 -12.6755 -12.5366 -12.5366 -12.5329 -12.5329 6.4499 6.4499 6.4502 6.4502 10.2310 10.2310 10.2324 10.2324 11.0011 11.0011 11.0042 11.0042 11.3045 11.3055 k = 0.0575 0.0995 0.3182 ( 1836 PWs) bands (ev): -33.1629 -33.1629 -33.1629 -33.1629 -14.0648 -14.0648 -14.0645 -14.0645 -12.6763 -12.6763 -12.6733 -12.6733 -12.5334 -12.5334 -12.5307 -12.5307 6.4135 6.4135 6.4137 6.4137 10.2586 10.2586 10.2597 10.2597 11.0215 11.0215 11.0241 11.0241 11.2754 11.2762 k = 0.0517 0.0896 0.3182 ( 1834 PWs) bands (ev): -33.1635 -33.1635 -33.1635 -33.1635 -14.0627 -14.0627 -14.0625 -14.0625 -12.6735 -12.6735 -12.6713 -12.6713 -12.5305 -12.5305 -12.5285 -12.5285 6.3802 6.3802 6.3803 6.3803 10.2846 10.2846 10.2854 10.2854 11.0401 11.0401 11.0423 11.0423 11.2490 11.2505 k = 0.0460 0.0796 0.3182 ( 1830 PWs) bands (ev): -33.1640 -33.1640 -33.1640 -33.1640 -14.0608 -14.0608 -14.0607 -14.0607 -12.6711 -12.6711 -12.6695 -12.6695 -12.5278 -12.5278 -12.5264 -12.5264 6.3501 6.3501 6.3502 6.3502 10.3086 10.3086 10.3092 10.3092 11.0566 11.0566 11.0585 11.0585 11.2253 11.2253 k = 0.0402 0.0697 0.3182 ( 1830 PWs) bands (ev): -33.1645 -33.1645 -33.1645 -33.1645 -14.0592 -14.0592 -14.0591 -14.0591 -12.6689 -12.6689 -12.6679 -12.6679 -12.5254 -12.5254 -12.5244 -12.5244 6.3232 6.3232 6.3233 6.3233 10.3304 10.3304 10.3308 10.3308 11.0709 11.0709 11.0725 11.0725 11.2046 11.2047 k = 0.0345 0.0597 0.3182 ( 1830 PWs) bands (ev): -33.1649 -33.1649 -33.1649 -33.1649 -14.0577 -14.0577 -14.0577 -14.0577 -12.6671 -12.6671 -12.6665 -12.6665 -12.5233 -12.5233 -12.5227 -12.5227 6.2998 6.2998 6.2998 6.2998 10.3497 10.3497 10.3500 10.3500 11.0828 11.0828 11.0840 11.0840 11.1872 11.1872 k = 0.0287 0.0498 0.3182 ( 1834 PWs) bands (ev): -33.1653 -33.1653 -33.1653 -33.1653 -14.0565 -14.0565 -14.0565 -14.0565 -12.6656 -12.6656 -12.6652 -12.6652 -12.5215 -12.5215 -12.5211 -12.5211 6.2798 6.2798 6.2798 6.2798 10.3665 10.3665 10.3667 10.3667 11.0920 11.0920 11.0929 11.0929 11.1734 11.1734 k = 0.0230 0.0398 0.3182 ( 1842 PWs) bands (ev): -33.1656 -33.1656 -33.1656 -33.1656 -14.0555 -14.0555 -14.0555 -14.0555 -12.6644 -12.6644 -12.6642 -12.6642 -12.5200 -12.5200 -12.5198 -12.5198 6.2634 6.2634 6.2634 6.2634 10.3805 10.3805 10.3806 10.3806 11.0982 11.0982 11.0988 11.0988 11.1634 11.1634 k = 0.0172 0.0299 0.3182 ( 1846 PWs) bands (ev): -33.1659 -33.1659 -33.1659 -33.1659 -14.0547 -14.0547 -14.0547 -14.0547 -12.6635 -12.6635 -12.6635 -12.6635 -12.5188 -12.5188 -12.5187 -12.5187 6.2505 6.2505 6.2505 6.2505 10.3915 10.3915 10.3916 10.3916 11.1015 11.1015 11.1018 11.1018 11.1572 11.1572 k = 0.0115 0.0199 0.3182 ( 1846 PWs) bands (ev): -33.1661 -33.1661 -33.1661 -33.1661 -14.0541 -14.0541 -14.0541 -14.0541 -12.6629 -12.6629 -12.6629 -12.6629 -12.5180 -12.5180 -12.5180 -12.5180 6.2413 6.2413 6.2413 6.2413 10.3995 10.3995 10.3995 10.3995 11.1024 11.1024 11.1025 11.1025 11.1541 11.1542 k = 0.0057 0.0100 0.3182 ( 1846 PWs) bands (ev): -33.1662 -33.1662 -33.1662 -33.1662 -14.0538 -14.0538 -14.0538 -14.0538 -12.6625 -12.6625 -12.6625 -12.6625 -12.5175 -12.5175 -12.5175 -12.5175 6.2358 6.2358 6.2358 6.2358 10.4043 10.4043 10.4043 10.4043 11.1023 11.1023 11.1023 11.1023 11.1530 11.1530 k = 0.0000 0.0000 0.3182 ( 1846 PWs) bands (ev): -33.1662 -33.1662 -33.1662 -33.1662 -14.0537 -14.0537 -14.0537 -14.0537 -12.6624 -12.6624 -12.6624 -12.6624 -12.5173 -12.5173 -12.5173 -12.5173 6.2339 6.2339 6.2339 6.2339 10.4059 10.4059 10.4059 10.4059 11.1021 11.1021 11.1021 11.1021 11.1527 11.1527 k = 0.5000 0.2887 0.3182 ( 1828 PWs) bands (ev): -33.1313 -33.1313 -33.1313 -33.1313 -14.1846 -14.1846 -14.1846 -14.1846 -12.8430 -12.8430 -12.8430 -12.8430 -12.5953 -12.5953 -12.5953 -12.5953 7.8306 7.8306 7.8306 7.8306 9.5231 9.5231 9.5231 9.5231 10.8265 10.8265 10.8265 10.8265 12.2312 12.2312 k = 0.5000 0.2887 0.3069 ( 1828 PWs) bands (ev): -33.1319 -33.1319 -33.1306 -33.1306 -14.1861 -14.1861 -14.1831 -14.1831 -12.8434 -12.8434 -12.8426 -12.8426 -12.5995 -12.5995 -12.5912 -12.5912 7.8054 7.8054 7.8573 7.8573 9.5037 9.5037 9.5379 9.5379 10.8163 10.8163 10.8400 10.8400 12.1443 12.1443 k = 0.5000 0.2887 0.2955 ( 1824 PWs) bands (ev): -33.1326 -33.1326 -33.1299 -33.1299 -14.1875 -14.1875 -14.1815 -14.1815 -12.8435 -12.8435 -12.8420 -12.8420 -12.6040 -12.6040 -12.5874 -12.5874 7.7819 7.7819 7.8854 7.8854 9.4807 9.4807 9.5471 9.5471 10.8104 10.8104 10.8557 10.8557 12.0600 12.0600 k = 0.5000 0.2887 0.2841 ( 1824 PWs) bands (ev): -33.1332 -33.1332 -33.1293 -33.1293 -14.1888 -14.1888 -14.1799 -14.1799 -12.8436 -12.8436 -12.8413 -12.8413 -12.6086 -12.6086 -12.5839 -12.5839 7.7604 7.7604 7.9146 7.9146 9.4551 9.4551 9.5499 9.5499 10.8096 10.8096 10.8727 10.8727 11.9785 11.9785 k = 0.5000 0.2887 0.2728 ( 1824 PWs) bands (ev): -33.1339 -33.1339 -33.1286 -33.1286 -14.1900 -14.1900 -14.1783 -14.1783 -12.8434 -12.8434 -12.8404 -12.8404 -12.6135 -12.6135 -12.5805 -12.5805 7.7408 7.7408 7.9447 7.9447 9.4278 9.4278 9.5458 9.5458 10.8145 10.8145 10.8901 10.8901 11.8998 11.8998 k = 0.5000 0.2887 0.2614 ( 1826 PWs) bands (ev): -33.1345 -33.1345 -33.1280 -33.1280 -14.1912 -14.1912 -14.1766 -14.1766 -12.8431 -12.8431 -12.8395 -12.8395 -12.6185 -12.6185 -12.5774 -12.5774 7.7233 7.7233 7.9754 7.9754 9.3998 9.3998 9.5343 9.5343 10.8254 10.8254 10.9071 10.9071 11.8239 11.8239 k = 0.5000 0.2887 0.2500 ( 1834 PWs) bands (ev): -33.1352 -33.1352 -33.1274 -33.1274 -14.1923 -14.1923 -14.1749 -14.1749 -12.8426 -12.8426 -12.8385 -12.8385 -12.6237 -12.6237 -12.5746 -12.5746 7.7081 7.7081 8.0064 8.0064 9.3720 9.3720 9.5157 9.5157 10.8423 10.8423 10.9231 10.9231 11.7510 11.7510 k = 0.5000 0.2887 0.2387 ( 1834 PWs) bands (ev): -33.1358 -33.1358 -33.1268 -33.1268 -14.1933 -14.1933 -14.1732 -14.1732 -12.8419 -12.8419 -12.8374 -12.8374 -12.6290 -12.6290 -12.5720 -12.5720 7.6951 7.6951 8.0373 8.0373 9.3449 9.3449 9.4902 9.4902 10.8647 10.8647 10.9376 10.9376 11.6810 11.6810 k = 0.5000 0.2887 0.2273 ( 1840 PWs) bands (ev): -33.1364 -33.1364 -33.1262 -33.1262 -14.1942 -14.1942 -14.1714 -14.1714 -12.8411 -12.8411 -12.8362 -12.8362 -12.6344 -12.6344 -12.5696 -12.5696 7.6845 7.6845 8.0678 8.0678 9.3194 9.3194 9.4584 9.4584 10.8919 10.8919 10.9506 10.9506 11.6140 11.6140 k = 0.5000 0.2887 0.2159 ( 1838 PWs) bands (ev): -33.1370 -33.1370 -33.1256 -33.1256 -14.1951 -14.1951 -14.1697 -14.1697 -12.8401 -12.8401 -12.8350 -12.8350 -12.6399 -12.6399 -12.5675 -12.5675 7.6762 7.6762 8.0975 8.0975 9.2960 9.2960 9.4213 9.4213 10.9220 10.9220 10.9626 10.9626 11.5500 11.5500 k = 0.5000 0.2887 0.2046 ( 1836 PWs) bands (ev): -33.1376 -33.1376 -33.1250 -33.1250 -14.1958 -14.1958 -14.1680 -14.1680 -12.8389 -12.8389 -12.8337 -12.8337 -12.6455 -12.6455 -12.5656 -12.5656 7.6702 7.6702 8.1259 8.1259 9.2751 9.2751 9.3796 9.3796 10.9491 10.9491 10.9787 10.9787 11.4893 11.4893 k = 0.5000 0.2887 0.1932 ( 1834 PWs) bands (ev): -33.1381 -33.1381 -33.1245 -33.1245 -14.1965 -14.1965 -14.1664 -14.1664 -12.8376 -12.8376 -12.8324 -12.8324 -12.6512 -12.6512 -12.5639 -12.5639 7.6667 7.6667 8.1526 8.1526 9.2570 9.2570 9.3346 9.3346 10.9623 10.9623 11.0087 11.0087 11.4317 11.4317 k = 0.5000 0.2887 0.1819 ( 1834 PWs) bands (ev): -33.1386 -33.1386 -33.1240 -33.1240 -14.1971 -14.1971 -14.1647 -14.1647 -12.8361 -12.8361 -12.8310 -12.8310 -12.6569 -12.6569 -12.5624 -12.5624 7.6655 7.6655 8.1773 8.1773 9.2409 9.2409 9.2882 9.2882 10.9665 10.9665 11.0469 11.0469 11.3776 11.3776 k = 0.5000 0.2887 0.1705 ( 1836 PWs) bands (ev): -33.1391 -33.1391 -33.1235 -33.1235 -14.1977 -14.1977 -14.1631 -14.1631 -12.8345 -12.8345 -12.8296 -12.8296 -12.6626 -12.6626 -12.5611 -12.5611 7.6665 7.6665 8.1997 8.1997 9.2187 9.2187 9.2496 9.2496 10.9665 10.9665 11.0873 11.0873 11.3272 11.3272 k = 0.5000 0.2887 0.1591 ( 1840 PWs) bands (ev): -33.1396 -33.1396 -33.1230 -33.1230 -14.1982 -14.1982 -14.1616 -14.1616 -12.8328 -12.8328 -12.8281 -12.8281 -12.6683 -12.6683 -12.5600 -12.5600 7.6698 7.6698 8.2194 8.2194 9.1748 9.1748 9.2351 9.2351 10.9634 10.9634 11.1272 11.1272 11.2814 11.2814 k = 0.5000 0.2887 0.1478 ( 1842 PWs) bands (ev): -33.1401 -33.1401 -33.1226 -33.1226 -14.1986 -14.1986 -14.1601 -14.1601 -12.8311 -12.8311 -12.8265 -12.8265 -12.6740 -12.6740 -12.5590 -12.5590 7.6752 7.6752 8.2363 8.2363 9.1234 9.1234 9.2316 9.2316 10.9579 10.9579 11.1615 11.1615 11.2445 11.2445 k = 0.5000 0.2887 0.1364 ( 1846 PWs) bands (ev): -33.1405 -33.1405 -33.1222 -33.1222 -14.1989 -14.1989 -14.1587 -14.1587 -12.8294 -12.8294 -12.8247 -12.8247 -12.6796 -12.6796 -12.5582 -12.5582 7.6825 7.6825 8.2503 8.2503 9.0707 9.0707 9.2330 9.2330 10.9502 10.9502 11.1669 11.1669 11.2391 11.2391 k = 0.5000 0.2887 0.1250 ( 1842 PWs) bands (ev): -33.1409 -33.1409 -33.1218 -33.1218 -14.1992 -14.1992 -14.1574 -14.1574 -12.8279 -12.8279 -12.8228 -12.8228 -12.6851 -12.6851 -12.5576 -12.5576 7.6916 7.6916 8.2615 8.2615 9.0181 9.0181 9.2385 9.2385 10.9408 10.9408 11.1396 11.1396 11.2684 11.2684 k = 0.5000 0.2887 0.1137 ( 1842 PWs) bands (ev): -33.1413 -33.1413 -33.1214 -33.1214 -14.1995 -14.1995 -14.1562 -14.1562 -12.8265 -12.8265 -12.8207 -12.8207 -12.6904 -12.6904 -12.5571 -12.5571 7.7023 7.7023 8.2702 8.2702 8.9665 8.9665 9.2471 9.2471 10.9299 10.9299 11.1074 11.1074 11.3041 11.3041 k = 0.5000 0.2887 0.1023 ( 1842 PWs) bands (ev): -33.1416 -33.1416 -33.1211 -33.1211 -14.1997 -14.1997 -14.1550 -14.1550 -12.8252 -12.8252 -12.8184 -12.8184 -12.6955 -12.6955 -12.5566 -12.5566 7.7143 7.7143 8.2766 8.2766 8.9166 8.9166 9.2583 9.2583 10.9180 10.9180 11.0767 11.0767 11.3392 11.3392 k = 0.5000 0.2887 0.0909 ( 1846 PWs) bands (ev): -33.1419 -33.1419 -33.1208 -33.1208 -14.1998 -14.1998 -14.1540 -14.1540 -12.8241 -12.8241 -12.8161 -12.8161 -12.7005 -12.7005 -12.5563 -12.5563 7.7272 7.7272 8.2810 8.2810 8.8690 8.8690 9.2712 9.2712 10.9056 10.9056 11.0486 11.0486 11.3723 11.3723 k = 0.5000 0.2887 0.0796 ( 1850 PWs) bands (ev): -33.1422 -33.1422 -33.1205 -33.1205 -14.2000 -14.2000 -14.1531 -14.1531 -12.8232 -12.8232 -12.8137 -12.8137 -12.7051 -12.7051 -12.5561 -12.5561 7.7407 7.7407 8.2838 8.2838 8.8244 8.8244 9.2852 9.2852 10.8931 10.8931 11.0236 11.0236 11.4026 11.4026 k = 0.5000 0.2887 0.0682 ( 1858 PWs) bands (ev): -33.1425 -33.1425 -33.1203 -33.1203 -14.2001 -14.2001 -14.1523 -14.1523 -12.8224 -12.8224 -12.8114 -12.8114 -12.7094 -12.7094 -12.5559 -12.5559 7.7543 7.7543 8.2854 8.2854 8.7834 8.7834 9.2993 9.2993 10.8810 10.8810 11.0019 11.0019 11.4296 11.4296 k = 0.5000 0.2887 0.0568 ( 1862 PWs) bands (ev): -33.1427 -33.1427 -33.1201 -33.1201 -14.2001 -14.2001 -14.1516 -14.1516 -12.8217 -12.8217 -12.8091 -12.8091 -12.7132 -12.7132 -12.5558 -12.5558 7.7673 7.7673 8.2861 8.2861 8.7469 8.7469 9.3128 9.3128 10.8697 10.8697 10.9833 10.9833 11.4530 11.4530 k = 0.5000 0.2887 0.0455 ( 1858 PWs) bands (ev): -33.1429 -33.1429 -33.1199 -33.1199 -14.2002 -14.2002 -14.1510 -14.1510 -12.8211 -12.8211 -12.8071 -12.8071 -12.7166 -12.7166 -12.5557 -12.5557 7.7793 7.7793 8.2863 8.2863 8.7156 8.7156 9.3250 9.3250 10.8597 10.8597 10.9681 10.9681 11.4725 11.4725 k = 0.5000 0.2887 0.0341 ( 1858 PWs) bands (ev): -33.1430 -33.1430 -33.1198 -33.1198 -14.2003 -14.2003 -14.1505 -14.1505 -12.8206 -12.8206 -12.8054 -12.8054 -12.7193 -12.7193 -12.5556 -12.5556 7.7895 7.7895 8.2861 8.2861 8.6902 8.6902 9.3352 9.3352 10.8515 10.8515 10.9563 10.9563 11.4878 11.4878 k = 0.5000 0.2887 0.0227 ( 1856 PWs) bands (ev): -33.1431 -33.1431 -33.1197 -33.1197 -14.2003 -14.2003 -14.1502 -14.1502 -12.8203 -12.8203 -12.8041 -12.8041 -12.7214 -12.7214 -12.5556 -12.5556 7.7973 7.7973 8.2859 8.2859 8.6714 8.6714 9.3430 9.3430 10.8454 10.8454 10.9478 10.9478 11.4989 11.4989 k = 0.5000 0.2887 0.0114 ( 1852 PWs) bands (ev): -33.1431 -33.1431 -33.1196 -33.1196 -14.2003 -14.2003 -14.1500 -14.1500 -12.8201 -12.8201 -12.8033 -12.8033 -12.7226 -12.7226 -12.5556 -12.5556 7.8023 7.8023 8.2857 8.2857 8.6599 8.6599 9.3478 9.3478 10.8416 10.8416 10.9427 10.9427 11.5056 11.5056 k = 0.5000 0.2887-0.0000 ( 1866 PWs) bands (ev): -33.1432 -33.1432 -33.1197 -33.1197 -14.2003 -14.2003 -14.1500 -14.1500 -12.8201 -12.8201 -12.8030 -12.8030 -12.7231 -12.7231 -12.5556 -12.5556 7.8040 7.8040 8.2856 8.2856 8.6560 8.6560 9.3494 9.3494 10.8403 10.8403 10.9410 10.9410 11.5079 11.5079 k = 0.3333 0.5774-0.0000 ( 1839 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1825 -14.1825 -14.1815 -14.1815 -12.8112 -12.8112 -12.7905 -12.7905 -12.7131 -12.7131 -12.6802 -12.6802 8.7676 8.7676 8.7776 8.7776 8.8355 8.8355 9.0116 9.0116 10.5171 10.5171 10.5403 10.5403 11.7667 11.7667 k = 0.3333 0.5774 0.0114 ( 1833 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1825 -14.1825 -14.1816 -14.1816 -12.8121 -12.8121 -12.7900 -12.7900 -12.7130 -12.7130 -12.6797 -12.6797 8.7683 8.7683 8.7784 8.7784 8.8361 8.8361 9.0119 9.0119 10.5150 10.5150 10.5382 10.5382 11.7666 11.7666 k = 0.3333 0.5774 0.0227 ( 1839 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1825 -14.1825 -14.1817 -14.1817 -12.8145 -12.8145 -12.7888 -12.7888 -12.7128 -12.7128 -12.6785 -12.6785 8.7704 8.7704 8.7807 8.7807 8.8380 8.8380 9.0128 9.0128 10.5086 10.5086 10.5319 10.5319 11.7663 11.7663 k = 0.3333 0.5774 0.0341 ( 1833 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1825 -14.1825 -14.1820 -14.1820 -12.8180 -12.8180 -12.7873 -12.7873 -12.7124 -12.7124 -12.6764 -12.6764 8.7739 8.7739 8.7846 8.7846 8.8410 8.8410 9.0144 9.0144 10.4980 10.4980 10.5215 10.5215 11.7658 11.7658 k = 0.3333 0.5774 0.0455 ( 1827 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1826 -14.1826 -14.1824 -14.1824 -12.8222 -12.8222 -12.7859 -12.7859 -12.7119 -12.7119 -12.6736 -12.6736 8.7788 8.7788 8.7900 8.7900 8.8453 8.8453 9.0164 9.0164 10.4835 10.4835 10.5072 10.5072 11.7653 11.7653 k = 0.3333 0.5774 0.0568 ( 1824 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1828 -14.1828 -14.1826 -14.1826 -12.8268 -12.8268 -12.7845 -12.7845 -12.7113 -12.7113 -12.6701 -12.6701 8.7851 8.7851 8.7969 8.7969 8.8507 8.8507 9.0191 9.0191 10.4652 10.4652 10.4893 10.4893 11.7647 11.7647 k = 0.3333 0.5774 0.0682 ( 1824 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1834 -14.1834 -14.1827 -14.1827 -12.8318 -12.8318 -12.7834 -12.7834 -12.7106 -12.7106 -12.6661 -12.6661 8.7927 8.7927 8.8052 8.8052 8.8573 8.8573 9.0223 9.0223 10.4435 10.4435 10.4679 10.4679 11.7643 11.7643 k = 0.3333 0.5774 0.0796 ( 1833 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1841 -14.1841 -14.1828 -14.1828 -12.8368 -12.8368 -12.7826 -12.7826 -12.7098 -12.7098 -12.6617 -12.6617 8.8017 8.8017 8.8148 8.8148 8.8650 8.8650 9.0260 9.0260 10.4185 10.4185 10.4436 10.4436 11.7641 11.7641 k = 0.3333 0.5774 0.0909 ( 1833 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1848 -14.1848 -14.1828 -14.1828 -12.8420 -12.8420 -12.7820 -12.7820 -12.7089 -12.7089 -12.6569 -12.6569 8.8119 8.8119 8.8256 8.8256 8.8738 8.8738 9.0301 9.0301 10.3908 10.3908 10.4165 10.4165 11.7643 11.7643 k = 0.3333 0.5774 0.1023 ( 1833 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1856 -14.1856 -14.1829 -14.1829 -12.8472 -12.8472 -12.7815 -12.7815 -12.7078 -12.7078 -12.6519 -12.6519 8.8233 8.8233 8.8374 8.8374 8.8837 8.8837 9.0347 9.0347 10.3605 10.3605 10.3871 10.3871 11.7651 11.7651 k = 0.3333 0.5774 0.1137 ( 1833 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1864 -14.1864 -14.1830 -14.1830 -12.8524 -12.8524 -12.7813 -12.7813 -12.7068 -12.7068 -12.6467 -12.6467 8.8359 8.8359 8.8503 8.8503 8.8946 8.8946 9.0396 9.0396 10.3281 10.3281 10.3557 10.3557 11.7667 11.7667 k = 0.3333 0.5774 0.1250 ( 1833 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1873 -14.1873 -14.1832 -14.1832 -12.8574 -12.8574 -12.7812 -12.7812 -12.7056 -12.7056 -12.6414 -12.6414 8.8497 8.8497 8.8640 8.8640 8.9064 8.9064 9.0448 9.0448 10.2940 10.2940 10.3228 10.3228 11.7692 11.7692 k = 0.3333 0.5774 0.1364 ( 1833 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1882 -14.1882 -14.1833 -14.1833 -12.8623 -12.8623 -12.7813 -12.7813 -12.7044 -12.7044 -12.6361 -12.6361 8.8645 8.8645 8.8784 8.8784 8.9190 8.9190 9.0503 9.0503 10.2586 10.2586 10.2887 10.2887 11.7730 11.7730 k = 0.3333 0.5774 0.1478 ( 1827 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1892 -14.1892 -14.1834 -14.1834 -12.8671 -12.8671 -12.7814 -12.7814 -12.7032 -12.7032 -12.6309 -12.6309 8.8802 8.8802 8.8933 8.8933 8.9325 8.9325 9.0560 9.0560 10.2221 10.2221 10.2539 10.2539 11.7782 11.7782 k = 0.3333 0.5774 0.1591 ( 1830 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1902 -14.1902 -14.1835 -14.1835 -12.8716 -12.8716 -12.7817 -12.7817 -12.7019 -12.7019 -12.6258 -12.6258 8.8969 8.8969 8.9086 8.9086 8.9467 8.9467 9.0617 9.0617 10.1850 10.1850 10.2185 10.2185 11.7852 11.7852 k = 0.3333 0.5774 0.1705 ( 1836 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1911 -14.1911 -14.1836 -14.1836 -12.8759 -12.8759 -12.7820 -12.7820 -12.7007 -12.7007 -12.6209 -12.6209 8.9143 8.9143 8.9240 8.9240 8.9614 8.9614 9.0675 9.0675 10.1476 10.1476 10.1831 10.1831 11.7940 11.7940 k = 0.3333 0.5774 0.1819 ( 1836 PWs) bands (ev): -33.1269 -33.1269 -33.1269 -33.1269 -14.1921 -14.1921 -14.1838 -14.1838 -12.8800 -12.8800 -12.7824 -12.7824 -12.6995 -12.6995 -12.6161 -12.6161 8.9322 8.9322 8.9394 8.9394 8.9766 8.9766 9.0732 9.0732 10.1102 10.1102 10.1480 10.1480 11.8051 11.8051 k = 0.3333 0.5774 0.1932 ( 1839 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1930 -14.1930 -14.1839 -14.1839 -12.8838 -12.8838 -12.7827 -12.7827 -12.6983 -12.6983 -12.6117 -12.6117 8.9506 8.9506 8.9546 8.9546 8.9920 8.9920 9.0788 9.0788 10.0734 10.0734 10.1135 10.1135 11.8187 11.8187 k = 0.3333 0.5774 0.2046 ( 1845 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1939 -14.1939 -14.1840 -14.1840 -12.8873 -12.8873 -12.7831 -12.7831 -12.6972 -12.6972 -12.6074 -12.6074 8.9693 8.9693 8.9694 8.9694 9.0076 9.0076 9.0842 9.0842 10.0373 10.0373 10.0801 10.0801 11.8350 11.8350 k = 0.3333 0.5774 0.2159 ( 1857 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1947 -14.1947 -14.1841 -14.1841 -12.8905 -12.8905 -12.7836 -12.7836 -12.6961 -12.6961 -12.6035 -12.6035 8.9836 8.9836 8.9880 8.9880 9.0230 9.0230 9.0893 9.0893 10.0025 10.0025 10.0480 10.0480 11.8542 11.8542 k = 0.3333 0.5774 0.2273 ( 1857 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1955 -14.1955 -14.1842 -14.1842 -12.8934 -12.8934 -12.7839 -12.7839 -12.6951 -12.6951 -12.6000 -12.6000 8.9971 8.9971 9.0064 9.0064 9.0381 9.0381 9.0939 9.0939 9.9693 9.9693 10.0177 10.0177 11.8766 11.8766 k = 0.3333 0.5774 0.2387 ( 1857 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1962 -14.1962 -14.1843 -14.1843 -12.8960 -12.8960 -12.7843 -12.7843 -12.6942 -12.6942 -12.5968 -12.5968 9.0096 9.0096 9.0241 9.0241 9.0526 9.0526 9.0981 9.0981 9.9382 9.9382 9.9895 9.9895 11.9024 11.9024 k = 0.3333 0.5774 0.2500 ( 1857 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1968 -14.1968 -14.1844 -14.1844 -12.8983 -12.8983 -12.7847 -12.7847 -12.6934 -12.6934 -12.5940 -12.5940 9.0209 9.0209 9.0410 9.0410 9.0662 9.0662 9.1018 9.1018 9.9097 9.9097 9.9639 9.9639 11.9318 11.9318 k = 0.3333 0.5774 0.2614 ( 1842 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1974 -14.1974 -14.1844 -14.1844 -12.9002 -12.9002 -12.7850 -12.7850 -12.6926 -12.6926 -12.5916 -12.5916 9.0309 9.0309 9.0564 9.0564 9.0785 9.0785 9.1050 9.1050 9.8842 9.8842 9.9412 9.9412 11.9649 11.9649 k = 0.3333 0.5774 0.2728 ( 1842 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1978 -14.1978 -14.1845 -14.1845 -12.9018 -12.9018 -12.7852 -12.7852 -12.6920 -12.6920 -12.5896 -12.5896 9.0394 9.0394 9.0699 9.0699 9.0892 9.0892 9.1075 9.1075 9.8623 9.8623 9.9219 9.9219 12.0018 12.0018 k = 0.3333 0.5774 0.2841 ( 1845 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1982 -14.1982 -14.1846 -14.1846 -12.9030 -12.9030 -12.7854 -12.7854 -12.6916 -12.6916 -12.5880 -12.5880 9.0462 9.0462 9.0811 9.0811 9.0980 9.0980 9.1094 9.1094 9.8446 9.8446 9.9064 9.9064 12.0426 12.0426 k = 0.3333 0.5774 0.2955 ( 1845 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1985 -14.1985 -14.1846 -14.1846 -12.9039 -12.9039 -12.7856 -12.7856 -12.6912 -12.6912 -12.5869 -12.5869 9.0513 9.0513 9.0895 9.0895 9.1046 9.1046 9.1108 9.1108 9.8315 9.8315 9.8950 9.8950 12.0870 12.0870 k = 0.3333 0.5774 0.3069 ( 1842 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1986 -14.1986 -14.1846 -14.1846 -12.9044 -12.9044 -12.7857 -12.7857 -12.6910 -12.6910 -12.5862 -12.5862 9.0543 9.0543 9.0947 9.0947 9.1086 9.1086 9.1116 9.1116 9.8234 9.8234 9.8881 9.8881 12.1340 12.1340 k = 0.3333 0.5774 0.3182 ( 1848 PWs) bands (ev): -33.1270 -33.1270 -33.1270 -33.1270 -14.1987 -14.1987 -14.1846 -14.1846 -12.9046 -12.9046 -12.7857 -12.7857 -12.6910 -12.6910 -12.5860 -12.5860 9.0554 9.0554 9.0965 9.0965 9.1100 9.1100 9.1118 9.1118 9.8207 9.8207 9.8858 9.8858 12.1680 12.1680 Writing output data file Y.save init_run : 0.11s CPU 0.31s WALL ( 1 calls) electrons : 49.79s CPU 54.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 49.78s CPU 54.13s 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 : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 367 calls) cegterg : 42.35s CPU 43.28s WALL ( 487 calls) Called by sum_band: Called by *egterg: h_psi : 24.12s CPU 24.93s WALL ( 6754 calls) s_psi : 0.96s CPU 1.05s WALL ( 6754 calls) g_psi : 0.04s CPU 0.06s WALL ( 5900 calls) cdiaghg : 18.83s CPU 18.83s WALL ( 6267 calls) cegterg:over : 1.20s CPU 1.31s WALL ( 5900 calls) cegterg:upda : 0.94s CPU 0.94s WALL ( 5900 calls) cegterg:last : 0.56s CPU 0.61s WALL ( 1221 calls) cdiaghg:chol : 1.02s CPU 0.96s WALL ( 6267 calls) cdiaghg:inve : 0.41s CPU 0.38s WALL ( 6267 calls) cdiaghg:para : 1.10s CPU 1.17s WALL ( 12534 calls) Called by h_psi: h_psi:vloc : 21.67s CPU 22.52s WALL ( 6754 calls) h_psi:vnl : 2.42s CPU 2.38s WALL ( 6754 calls) add_vuspsi : 1.36s CPU 1.37s WALL ( 6754 calls) General routines calbec : 1.05s CPU 1.00s WALL ( 6754 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.49s CPU 21.28s WALL ( 442904 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.10s WALL ( 734 calls) Parallel routines fft_scatter : 8.61s CPU 9.39s WALL ( 442927 calls) PWSCF : 0m57.40s CPU 2m 4.11s WALL This run was terminated on: 21:20: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=