Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:25:46 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: ./YAg.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 26 18 5 614 362 61 Max 27 19 6 617 377 68 Sum 949 673 213 22143 13301 2325 bravais-lattice index = 14 lattice parameter (alat) = 6.8219 a.u. unit-cell volume = 317.4813 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.821911 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd 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 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Ag 11.00 107.86820 Ag( 1.00) Y 11.00 88.90590 Y( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -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 = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 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 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0029586 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0029586 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0029586 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0029586 k( 10) = ( 0.0000000 0.1022727 -0.0000000), wk = 0.0029586 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0029586 k( 12) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0029586 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0029586 k( 15) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0029586 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0029586 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0029586 k( 18) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0029586 k( 19) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0029586 k( 20) = ( 0.0000000 0.2159091 -0.0000000), wk = 0.0029586 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0029586 k( 22) = ( 0.0000000 0.2386364 -0.0000000), wk = 0.0029586 k( 23) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0029586 k( 25) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0029586 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0029586 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0029586 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0029586 k( 29) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0029586 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0029586 k( 31) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0029586 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0029586 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0029586 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0029586 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0029586 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0029586 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0029586 k( 39) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0029586 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0029586 k( 41) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0029586 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0029586 k( 43) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0029586 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0029586 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0029586 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0029586 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0029586 k( 50) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0029586 k( 51) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0029586 k( 52) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0029586 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0029586 k( 54) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0029586 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0029586 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0029586 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0029586 k( 58) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0029586 k( 59) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0029586 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0029586 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0029586 k( 62) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0029586 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0029586 k( 64) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0029586 k( 65) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0029586 k( 66) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0029586 k( 67) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0029586 k( 68) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0029586 k( 69) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0029586 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0029586 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0029586 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0029586 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0029586 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0029586 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0029586 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0029586 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0029586 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0029586 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0029586 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0029586 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0029586 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0029586 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0029586 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0029586 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0029586 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0029586 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0029586 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0029586 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0029586 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 92) = ( 0.4919355 0.4919355 -0.0000000), wk = 0.0029586 k( 93) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0029586 k( 94) = ( 0.4758064 0.4758064 -0.0000000), wk = 0.0029586 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0029586 k( 96) = ( 0.4596774 0.4596774 -0.0000000), wk = 0.0029586 k( 97) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0029586 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0029586 k( 99) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0029586 k( 100) = ( 0.4274193 0.4274193 -0.0000000), wk = 0.0029586 k( 101) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0029586 k( 102) = ( 0.4112903 0.4112903 -0.0000000), wk = 0.0029586 k( 103) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0029586 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0029586 k( 105) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0029586 k( 106) = ( 0.3790323 0.3790323 -0.0000000), wk = 0.0029586 k( 107) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0029586 k( 108) = ( 0.3629032 0.3629032 -0.0000000), wk = 0.0029586 k( 109) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0029586 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0029586 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0029586 k( 112) = ( 0.3306452 0.3306452 -0.0000000), wk = 0.0029586 k( 113) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0029586 k( 114) = ( 0.3145161 0.3145161 -0.0000000), wk = 0.0029586 k( 115) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0029586 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0029586 k( 117) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0029586 k( 118) = ( 0.2822581 0.2822581 -0.0000000), wk = 0.0029586 k( 119) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0029586 k( 120) = ( 0.2661290 0.2661290 -0.0000000), wk = 0.0029586 k( 121) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0029586 k( 122) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0029586 k( 123) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0029586 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0029586 k( 125) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0029586 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0029586 k( 127) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0029586 k( 128) = ( 0.2016129 0.2016129 -0.0000000), wk = 0.0029586 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0029586 k( 130) = ( 0.1854839 0.1854839 -0.0000000), wk = 0.0029586 k( 131) = ( 0.1774194 0.1774193 -0.0000000), wk = 0.0029586 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0029586 k( 133) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0029586 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0029586 k( 135) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0029586 k( 136) = ( 0.1370968 0.1370968 -0.0000000), wk = 0.0029586 k( 137) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0029586 k( 138) = ( 0.1209677 0.1209677 -0.0000000), wk = 0.0029586 k( 139) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0029586 k( 140) = ( 0.1048387 0.1048387 -0.0000000), wk = 0.0029586 k( 141) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0029586 k( 142) = ( 0.0887097 0.0887097 -0.0000000), wk = 0.0029586 k( 143) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0029586 k( 144) = ( 0.0725806 0.0725806 -0.0000000), wk = 0.0029586 k( 145) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0029586 k( 146) = ( 0.0564516 0.0564516 -0.0000000), wk = 0.0029586 k( 147) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0029586 k( 148) = ( 0.0403226 0.0403226 -0.0000000), wk = 0.0029586 k( 149) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0029586 k( 150) = ( 0.0241936 0.0241935 -0.0000000), wk = 0.0029586 k( 151) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0029586 k( 152) = ( 0.0080645 0.0080645 -0.0000000), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 155) = ( 0.0065790 0.0065789 0.0065789), wk = 0.0029586 k( 156) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0029586 k( 157) = ( 0.0197368 0.0197368 0.0197368), wk = 0.0029586 k( 158) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0029586 k( 159) = ( 0.0328947 0.0328947 0.0328947), wk = 0.0029586 k( 160) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0029586 k( 161) = ( 0.0460526 0.0460526 0.0460526), wk = 0.0029586 k( 162) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0029586 k( 163) = ( 0.0592105 0.0592105 0.0592105), wk = 0.0029586 k( 164) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0029586 k( 165) = ( 0.0723684 0.0723684 0.0723684), wk = 0.0029586 k( 166) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0029586 k( 167) = ( 0.0855263 0.0855263 0.0855263), wk = 0.0029586 k( 168) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0029586 k( 169) = ( 0.0986842 0.0986842 0.0986842), wk = 0.0029586 k( 170) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0029586 k( 171) = ( 0.1118421 0.1118421 0.1118421), wk = 0.0029586 k( 172) = ( 0.1184210 0.1184210 0.1184210), wk = 0.0029586 k( 173) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029586 k( 174) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0029586 k( 175) = ( 0.1381579 0.1381579 0.1381579), wk = 0.0029586 k( 176) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0029586 k( 177) = ( 0.1513158 0.1513158 0.1513158), wk = 0.0029586 k( 178) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0029586 k( 179) = ( 0.1644737 0.1644737 0.1644737), wk = 0.0029586 k( 180) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0029586 k( 181) = ( 0.1776316 0.1776316 0.1776316), wk = 0.0029586 k( 182) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0029586 k( 183) = ( 0.1907895 0.1907895 0.1907895), wk = 0.0029586 k( 184) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0029586 k( 185) = ( 0.2039474 0.2039474 0.2039474), wk = 0.0029586 k( 186) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0029586 k( 187) = ( 0.2171053 0.2171053 0.2171053), wk = 0.0029586 k( 188) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0029586 k( 189) = ( 0.2302632 0.2302632 0.2302632), wk = 0.0029586 k( 190) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0029586 k( 191) = ( 0.2434210 0.2434210 0.2434210), wk = 0.0029586 k( 192) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 193) = ( 0.2565789 0.2565789 0.2565789), wk = 0.0029586 k( 194) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0029586 k( 195) = ( 0.2697368 0.2697368 0.2697368), wk = 0.0029586 k( 196) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0029586 k( 197) = ( 0.2828947 0.2828947 0.2828947), wk = 0.0029586 k( 198) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0029586 k( 199) = ( 0.2960526 0.2960526 0.2960526), wk = 0.0029586 k( 200) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0029586 k( 201) = ( 0.3092105 0.3092105 0.3092105), wk = 0.0029586 k( 202) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0029586 k( 203) = ( 0.3223684 0.3223684 0.3223684), wk = 0.0029586 k( 204) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0029586 k( 205) = ( 0.3355263 0.3355263 0.3355263), wk = 0.0029586 k( 206) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0029586 k( 207) = ( 0.3486842 0.3486842 0.3486842), wk = 0.0029586 k( 208) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0029586 k( 209) = ( 0.3618421 0.3618421 0.3618421), wk = 0.0029586 k( 210) = ( 0.3684211 0.3684210 0.3684210), wk = 0.0029586 k( 211) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029586 k( 212) = ( 0.3815789 0.3815789 0.3815789), wk = 0.0029586 k( 213) = ( 0.3881579 0.3881579 0.3881579), wk = 0.0029586 k( 214) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0029586 k( 215) = ( 0.4013158 0.4013158 0.4013158), wk = 0.0029586 k( 216) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0029586 k( 217) = ( 0.4144737 0.4144737 0.4144737), wk = 0.0029586 k( 218) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0029586 k( 219) = ( 0.4276316 0.4276316 0.4276316), wk = 0.0029586 k( 220) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0029586 k( 221) = ( 0.4407895 0.4407895 0.4407895), wk = 0.0029586 k( 222) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0029586 k( 223) = ( 0.4539474 0.4539474 0.4539474), wk = 0.0029586 k( 224) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0029586 k( 225) = ( 0.4671053 0.4671053 0.4671053), wk = 0.0029586 k( 226) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0029586 k( 227) = ( 0.4802632 0.4802632 0.4802632), wk = 0.0029586 k( 228) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0029586 k( 229) = ( 0.4934211 0.4934210 0.4934210), wk = 0.0029586 k( 230) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 232) = ( 0.4919355 0.5000000 0.4919355), wk = 0.0029586 k( 233) = ( 0.4838710 0.5000000 0.4838710), wk = 0.0029586 k( 234) = ( 0.4758064 0.5000000 0.4758064), wk = 0.0029586 k( 235) = ( 0.4677419 0.5000000 0.4677419), wk = 0.0029586 k( 236) = ( 0.4596774 0.5000000 0.4596774), wk = 0.0029586 k( 237) = ( 0.4516129 0.5000000 0.4516129), wk = 0.0029586 k( 238) = ( 0.4435484 0.5000000 0.4435484), wk = 0.0029586 k( 239) = ( 0.4354839 0.5000000 0.4354839), wk = 0.0029586 k( 240) = ( 0.4274193 0.5000000 0.4274193), wk = 0.0029586 k( 241) = ( 0.4193548 0.5000000 0.4193548), wk = 0.0029586 k( 242) = ( 0.4112903 0.5000000 0.4112903), wk = 0.0029586 k( 243) = ( 0.4032258 0.5000000 0.4032258), wk = 0.0029586 k( 244) = ( 0.3951613 0.5000000 0.3951613), wk = 0.0029586 k( 245) = ( 0.3870968 0.5000000 0.3870968), wk = 0.0029586 k( 246) = ( 0.3790323 0.5000000 0.3790323), wk = 0.0029586 k( 247) = ( 0.3709677 0.5000000 0.3709677), wk = 0.0029586 k( 248) = ( 0.3629032 0.5000000 0.3629032), wk = 0.0029586 k( 249) = ( 0.3548387 0.5000000 0.3548387), wk = 0.0029586 k( 250) = ( 0.3467742 0.5000000 0.3467742), wk = 0.0029586 k( 251) = ( 0.3387097 0.5000000 0.3387097), wk = 0.0029586 k( 252) = ( 0.3306452 0.5000000 0.3306452), wk = 0.0029586 k( 253) = ( 0.3225807 0.5000000 0.3225806), wk = 0.0029586 k( 254) = ( 0.3145161 0.5000000 0.3145161), wk = 0.0029586 k( 255) = ( 0.3064516 0.5000000 0.3064516), wk = 0.0029586 k( 256) = ( 0.2983871 0.5000000 0.2983871), wk = 0.0029586 k( 257) = ( 0.2903226 0.5000000 0.2903226), wk = 0.0029586 k( 258) = ( 0.2822581 0.5000000 0.2822581), wk = 0.0029586 k( 259) = ( 0.2741936 0.5000000 0.2741935), wk = 0.0029586 k( 260) = ( 0.2661290 0.5000000 0.2661290), wk = 0.0029586 k( 261) = ( 0.2580645 0.5000000 0.2580645), wk = 0.0029586 k( 262) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0029586 k( 263) = ( 0.2419355 0.5000000 0.2419355), wk = 0.0029586 k( 264) = ( 0.2338710 0.5000000 0.2338710), wk = 0.0029586 k( 265) = ( 0.2258064 0.5000000 0.2258064), wk = 0.0029586 k( 266) = ( 0.2177419 0.5000000 0.2177419), wk = 0.0029586 k( 267) = ( 0.2096774 0.5000000 0.2096774), wk = 0.0029586 k( 268) = ( 0.2016129 0.5000000 0.2016129), wk = 0.0029586 k( 269) = ( 0.1935484 0.5000000 0.1935484), wk = 0.0029586 k( 270) = ( 0.1854839 0.5000000 0.1854839), wk = 0.0029586 k( 271) = ( 0.1774194 0.5000000 0.1774193), wk = 0.0029586 k( 272) = ( 0.1693548 0.5000000 0.1693548), wk = 0.0029586 k( 273) = ( 0.1612903 0.5000000 0.1612903), wk = 0.0029586 k( 274) = ( 0.1532258 0.5000000 0.1532258), wk = 0.0029586 k( 275) = ( 0.1451613 0.5000000 0.1451613), wk = 0.0029586 k( 276) = ( 0.1370968 0.5000000 0.1370968), wk = 0.0029586 k( 277) = ( 0.1290323 0.5000000 0.1290323), wk = 0.0029586 k( 278) = ( 0.1209677 0.5000000 0.1209677), wk = 0.0029586 k( 279) = ( 0.1129032 0.5000000 0.1129032), wk = 0.0029586 k( 280) = ( 0.1048387 0.5000000 0.1048387), wk = 0.0029586 k( 281) = ( 0.0967742 0.5000000 0.0967742), wk = 0.0029586 k( 282) = ( 0.0887097 0.5000000 0.0887097), wk = 0.0029586 k( 283) = ( 0.0806452 0.5000000 0.0806452), wk = 0.0029586 k( 284) = ( 0.0725806 0.5000000 0.0725806), wk = 0.0029586 k( 285) = ( 0.0645161 0.5000000 0.0645161), wk = 0.0029586 k( 286) = ( 0.0564516 0.5000000 0.0564516), wk = 0.0029586 k( 287) = ( 0.0483871 0.5000000 0.0483871), wk = 0.0029586 k( 288) = ( 0.0403226 0.5000000 0.0403226), wk = 0.0029586 k( 289) = ( 0.0322581 0.5000000 0.0322581), wk = 0.0029586 k( 290) = ( 0.0241936 0.5000000 0.0241935), wk = 0.0029586 k( 291) = ( 0.0161290 0.5000000 0.0161290), wk = 0.0029586 k( 292) = ( 0.0080645 0.5000000 0.0080645), wk = 0.0029586 k( 293) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 294) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 295) = ( 0.5000000 0.5000000 0.0113636), wk = 0.0029586 k( 296) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0029586 k( 297) = ( 0.5000000 0.5000000 0.0340909), wk = 0.0029586 k( 298) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0029586 k( 299) = ( 0.5000000 0.5000000 0.0568182), wk = 0.0029586 k( 300) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0029586 k( 301) = ( 0.5000000 0.5000000 0.0795454), wk = 0.0029586 k( 302) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0029586 k( 303) = ( 0.5000000 0.5000000 0.1022727), wk = 0.0029586 k( 304) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0029586 k( 305) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0029586 k( 306) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0029586 k( 307) = ( 0.5000000 0.5000000 0.1477273), wk = 0.0029586 k( 308) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0029586 k( 309) = ( 0.5000000 0.5000000 0.1704545), wk = 0.0029586 k( 310) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0029586 k( 311) = ( 0.5000000 0.5000000 0.1931818), wk = 0.0029586 k( 312) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0029586 k( 313) = ( 0.5000000 0.5000000 0.2159091), wk = 0.0029586 k( 314) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 0.2386364), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 0.2613636), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 0.2840909), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 0.3068182), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 0.3295454), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 0.3522727), wk = 0.0029586 k( 326) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0029586 k( 327) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0029586 k( 328) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0029586 k( 329) = ( 0.5000000 0.5000000 0.3977273), wk = 0.0029586 k( 330) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0029586 k( 331) = ( 0.5000000 0.5000000 0.4204545), wk = 0.0029586 k( 332) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0029586 k( 333) = ( 0.5000000 0.5000000 0.4431818), wk = 0.0029586 k( 334) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0029586 k( 335) = ( 0.5000000 0.5000000 0.4659091), wk = 0.0029586 k( 336) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0029586 k( 337) = ( 0.5000000 0.5000000 0.4886364), wk = 0.0029586 k( 338) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0113636 0.0000000), wk = 0.0029586 k( 3) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0029586 k( 4) = ( 0.0000000 0.0340909 0.0000000), wk = 0.0029586 k( 5) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0029586 k( 6) = ( 0.0000000 0.0568182 0.0000000), wk = 0.0029586 k( 7) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0029586 k( 8) = ( 0.0000000 0.0795455 0.0000000), wk = 0.0029586 k( 9) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0029586 k( 10) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0029586 k( 11) = ( 0.0000000 0.1136364 0.0000000), wk = 0.0029586 k( 12) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0029586 k( 14) = ( 0.0000000 0.1477273 0.0000000), wk = 0.0029586 k( 15) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0029586 k( 16) = ( 0.0000000 0.1704546 0.0000000), wk = 0.0029586 k( 17) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0029586 k( 18) = ( 0.0000000 0.1931818 0.0000000), wk = 0.0029586 k( 19) = ( 0.0000000 0.2045454 0.0000000), wk = 0.0029586 k( 20) = ( 0.0000000 0.2159091 0.0000000), wk = 0.0029586 k( 21) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0029586 k( 22) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0029586 k( 23) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.2613636 0.0000000), wk = 0.0029586 k( 25) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0029586 k( 26) = ( 0.0000000 0.2840909 0.0000000), wk = 0.0029586 k( 27) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0029586 k( 28) = ( 0.0000000 0.3068182 0.0000000), wk = 0.0029586 k( 29) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0029586 k( 30) = ( 0.0000000 0.3295455 0.0000000), wk = 0.0029586 k( 31) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0029586 k( 32) = ( 0.0000000 0.3522727 0.0000000), wk = 0.0029586 k( 33) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0029586 k( 34) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0029586 k( 36) = ( 0.0000000 0.3977273 0.0000000), wk = 0.0029586 k( 37) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0029586 k( 38) = ( 0.0000000 0.4204545 0.0000000), wk = 0.0029586 k( 39) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0029586 k( 40) = ( 0.0000000 0.4431818 0.0000000), wk = 0.0029586 k( 41) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0029586 k( 42) = ( 0.0000000 0.4659091 0.0000000), wk = 0.0029586 k( 43) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0029586 k( 44) = ( 0.0000000 0.4886364 0.0000000), wk = 0.0029586 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 47) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0029586 k( 48) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0029586 k( 49) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0029586 k( 50) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0029586 k( 51) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0029586 k( 52) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0029586 k( 53) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0029586 k( 54) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0029586 k( 55) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0029586 k( 56) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0029586 k( 57) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0029586 k( 58) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0029586 k( 59) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0029586 k( 60) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0029586 k( 61) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0029586 k( 62) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0029586 k( 63) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0029586 k( 64) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0029586 k( 65) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0029586 k( 66) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0029586 k( 67) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0029586 k( 68) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0029586 k( 69) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0029586 k( 70) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0029586 k( 71) = ( 0.2840909 0.5000000 0.0000000), wk = 0.0029586 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0029586 k( 73) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0029586 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0029586 k( 75) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0029586 k( 76) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0029586 k( 77) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0029586 k( 78) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0029586 k( 79) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0029586 k( 80) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0029586 k( 81) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0029586 k( 82) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0029586 k( 83) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0029586 k( 84) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0029586 k( 85) = ( 0.4431818 0.5000000 0.0000000), wk = 0.0029586 k( 86) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0029586 k( 87) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0029586 k( 88) = ( 0.4772727 0.5000000 0.0000000), wk = 0.0029586 k( 89) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0029586 k( 90) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 91) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 92) = ( 0.4919355 0.4919355 0.0000000), wk = 0.0029586 k( 93) = ( 0.4838710 0.4838710 0.0000000), wk = 0.0029586 k( 94) = ( 0.4758064 0.4758064 0.0000000), wk = 0.0029586 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0029586 k( 96) = ( 0.4596774 0.4596774 0.0000000), wk = 0.0029586 k( 97) = ( 0.4516129 0.4516129 0.0000000), wk = 0.0029586 k( 98) = ( 0.4435484 0.4435484 0.0000000), wk = 0.0029586 k( 99) = ( 0.4354839 0.4354839 0.0000000), wk = 0.0029586 k( 100) = ( 0.4274193 0.4274193 0.0000000), wk = 0.0029586 k( 101) = ( 0.4193548 0.4193548 0.0000000), wk = 0.0029586 k( 102) = ( 0.4112903 0.4112903 0.0000000), wk = 0.0029586 k( 103) = ( 0.4032258 0.4032258 0.0000000), wk = 0.0029586 k( 104) = ( 0.3951613 0.3951613 0.0000000), wk = 0.0029586 k( 105) = ( 0.3870968 0.3870968 0.0000000), wk = 0.0029586 k( 106) = ( 0.3790323 0.3790323 0.0000000), wk = 0.0029586 k( 107) = ( 0.3709677 0.3709677 0.0000000), wk = 0.0029586 k( 108) = ( 0.3629032 0.3629032 0.0000000), wk = 0.0029586 k( 109) = ( 0.3548387 0.3548387 0.0000000), wk = 0.0029586 k( 110) = ( 0.3467742 0.3467742 0.0000000), wk = 0.0029586 k( 111) = ( 0.3387097 0.3387097 0.0000000), wk = 0.0029586 k( 112) = ( 0.3306452 0.3306452 0.0000000), wk = 0.0029586 k( 113) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0029586 k( 114) = ( 0.3145161 0.3145161 0.0000000), wk = 0.0029586 k( 115) = ( 0.3064516 0.3064516 0.0000000), wk = 0.0029586 k( 116) = ( 0.2983871 0.2983871 0.0000000), wk = 0.0029586 k( 117) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0029586 k( 118) = ( 0.2822581 0.2822581 0.0000000), wk = 0.0029586 k( 119) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0029586 k( 120) = ( 0.2661290 0.2661290 0.0000000), wk = 0.0029586 k( 121) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0029586 k( 122) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029586 k( 123) = ( 0.2419355 0.2419355 0.0000000), wk = 0.0029586 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0029586 k( 125) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0029586 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0029586 k( 127) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0029586 k( 128) = ( 0.2016129 0.2016129 0.0000000), wk = 0.0029586 k( 129) = ( 0.1935484 0.1935484 0.0000000), wk = 0.0029586 k( 130) = ( 0.1854839 0.1854839 0.0000000), wk = 0.0029586 k( 131) = ( 0.1774194 0.1774194 0.0000000), wk = 0.0029586 k( 132) = ( 0.1693548 0.1693548 0.0000000), wk = 0.0029586 k( 133) = ( 0.1612903 0.1612903 0.0000000), wk = 0.0029586 k( 134) = ( 0.1532258 0.1532258 0.0000000), wk = 0.0029586 k( 135) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0029586 k( 136) = ( 0.1370968 0.1370968 0.0000000), wk = 0.0029586 k( 137) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0029586 k( 138) = ( 0.1209677 0.1209677 0.0000000), wk = 0.0029586 k( 139) = ( 0.1129032 0.1129032 0.0000000), wk = 0.0029586 k( 140) = ( 0.1048387 0.1048387 0.0000000), wk = 0.0029586 k( 141) = ( 0.0967742 0.0967742 0.0000000), wk = 0.0029586 k( 142) = ( 0.0887097 0.0887097 0.0000000), wk = 0.0029586 k( 143) = ( 0.0806452 0.0806452 0.0000000), wk = 0.0029586 k( 144) = ( 0.0725806 0.0725806 0.0000000), wk = 0.0029586 k( 145) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0029586 k( 146) = ( 0.0564516 0.0564516 0.0000000), wk = 0.0029586 k( 147) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0029586 k( 148) = ( 0.0403226 0.0403226 0.0000000), wk = 0.0029586 k( 149) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0029586 k( 150) = ( 0.0241936 0.0241936 0.0000000), wk = 0.0029586 k( 151) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0029586 k( 152) = ( 0.0080645 0.0080645 0.0000000), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 155) = ( 0.0065790 0.0065790 0.0065790), wk = 0.0029586 k( 156) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0029586 k( 157) = ( 0.0197368 0.0197368 0.0197368), wk = 0.0029586 k( 158) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0029586 k( 159) = ( 0.0328947 0.0328947 0.0328947), wk = 0.0029586 k( 160) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0029586 k( 161) = ( 0.0460526 0.0460526 0.0460526), wk = 0.0029586 k( 162) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0029586 k( 163) = ( 0.0592105 0.0592105 0.0592105), wk = 0.0029586 k( 164) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0029586 k( 165) = ( 0.0723684 0.0723684 0.0723684), wk = 0.0029586 k( 166) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0029586 k( 167) = ( 0.0855263 0.0855263 0.0855263), wk = 0.0029586 k( 168) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0029586 k( 169) = ( 0.0986842 0.0986842 0.0986842), wk = 0.0029586 k( 170) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0029586 k( 171) = ( 0.1118421 0.1118421 0.1118421), wk = 0.0029586 k( 172) = ( 0.1184210 0.1184210 0.1184210), wk = 0.0029586 k( 173) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029586 k( 174) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0029586 k( 175) = ( 0.1381579 0.1381579 0.1381579), wk = 0.0029586 k( 176) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0029586 k( 177) = ( 0.1513158 0.1513158 0.1513158), wk = 0.0029586 k( 178) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0029586 k( 179) = ( 0.1644737 0.1644737 0.1644737), wk = 0.0029586 k( 180) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0029586 k( 181) = ( 0.1776316 0.1776316 0.1776316), wk = 0.0029586 k( 182) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0029586 k( 183) = ( 0.1907895 0.1907895 0.1907895), wk = 0.0029586 k( 184) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0029586 k( 185) = ( 0.2039474 0.2039474 0.2039474), wk = 0.0029586 k( 186) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0029586 k( 187) = ( 0.2171053 0.2171053 0.2171053), wk = 0.0029586 k( 188) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0029586 k( 189) = ( 0.2302632 0.2302632 0.2302632), wk = 0.0029586 k( 190) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0029586 k( 191) = ( 0.2434210 0.2434210 0.2434210), wk = 0.0029586 k( 192) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 193) = ( 0.2565789 0.2565789 0.2565789), wk = 0.0029586 k( 194) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0029586 k( 195) = ( 0.2697368 0.2697368 0.2697368), wk = 0.0029586 k( 196) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0029586 k( 197) = ( 0.2828947 0.2828947 0.2828947), wk = 0.0029586 k( 198) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0029586 k( 199) = ( 0.2960526 0.2960526 0.2960526), wk = 0.0029586 k( 200) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0029586 k( 201) = ( 0.3092105 0.3092105 0.3092105), wk = 0.0029586 k( 202) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0029586 k( 203) = ( 0.3223684 0.3223684 0.3223684), wk = 0.0029586 k( 204) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0029586 k( 205) = ( 0.3355263 0.3355263 0.3355263), wk = 0.0029586 k( 206) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0029586 k( 207) = ( 0.3486842 0.3486842 0.3486842), wk = 0.0029586 k( 208) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0029586 k( 209) = ( 0.3618421 0.3618421 0.3618421), wk = 0.0029586 k( 210) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0029586 k( 211) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029586 k( 212) = ( 0.3815789 0.3815789 0.3815789), wk = 0.0029586 k( 213) = ( 0.3881579 0.3881579 0.3881579), wk = 0.0029586 k( 214) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0029586 k( 215) = ( 0.4013158 0.4013158 0.4013158), wk = 0.0029586 k( 216) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0029586 k( 217) = ( 0.4144737 0.4144737 0.4144737), wk = 0.0029586 k( 218) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0029586 k( 219) = ( 0.4276316 0.4276316 0.4276316), wk = 0.0029586 k( 220) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0029586 k( 221) = ( 0.4407895 0.4407895 0.4407895), wk = 0.0029586 k( 222) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0029586 k( 223) = ( 0.4539474 0.4539474 0.4539474), wk = 0.0029586 k( 224) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0029586 k( 225) = ( 0.4671053 0.4671053 0.4671053), wk = 0.0029586 k( 226) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0029586 k( 227) = ( 0.4802632 0.4802632 0.4802632), wk = 0.0029586 k( 228) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0029586 k( 229) = ( 0.4934211 0.4934211 0.4934211), wk = 0.0029586 k( 230) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 232) = ( 0.4919355 0.5000000 0.4919355), wk = 0.0029586 k( 233) = ( 0.4838710 0.5000000 0.4838710), wk = 0.0029586 k( 234) = ( 0.4758064 0.5000000 0.4758064), wk = 0.0029586 k( 235) = ( 0.4677419 0.5000000 0.4677419), wk = 0.0029586 k( 236) = ( 0.4596774 0.5000000 0.4596774), wk = 0.0029586 k( 237) = ( 0.4516129 0.5000000 0.4516129), wk = 0.0029586 k( 238) = ( 0.4435484 0.5000000 0.4435484), wk = 0.0029586 k( 239) = ( 0.4354839 0.5000000 0.4354839), wk = 0.0029586 k( 240) = ( 0.4274193 0.5000000 0.4274193), wk = 0.0029586 k( 241) = ( 0.4193548 0.5000000 0.4193548), wk = 0.0029586 k( 242) = ( 0.4112903 0.5000000 0.4112903), wk = 0.0029586 k( 243) = ( 0.4032258 0.5000000 0.4032258), wk = 0.0029586 k( 244) = ( 0.3951613 0.5000000 0.3951613), wk = 0.0029586 k( 245) = ( 0.3870968 0.5000000 0.3870968), wk = 0.0029586 k( 246) = ( 0.3790323 0.5000000 0.3790323), wk = 0.0029586 k( 247) = ( 0.3709677 0.5000000 0.3709677), wk = 0.0029586 k( 248) = ( 0.3629032 0.5000000 0.3629032), wk = 0.0029586 k( 249) = ( 0.3548387 0.5000000 0.3548387), wk = 0.0029586 k( 250) = ( 0.3467742 0.5000000 0.3467742), wk = 0.0029586 k( 251) = ( 0.3387097 0.5000000 0.3387097), wk = 0.0029586 k( 252) = ( 0.3306452 0.5000000 0.3306452), wk = 0.0029586 k( 253) = ( 0.3225807 0.5000000 0.3225807), wk = 0.0029586 k( 254) = ( 0.3145161 0.5000000 0.3145161), wk = 0.0029586 k( 255) = ( 0.3064516 0.5000000 0.3064516), wk = 0.0029586 k( 256) = ( 0.2983871 0.5000000 0.2983871), wk = 0.0029586 k( 257) = ( 0.2903226 0.5000000 0.2903226), wk = 0.0029586 k( 258) = ( 0.2822581 0.5000000 0.2822581), wk = 0.0029586 k( 259) = ( 0.2741936 0.5000000 0.2741936), wk = 0.0029586 k( 260) = ( 0.2661290 0.5000000 0.2661290), wk = 0.0029586 k( 261) = ( 0.2580645 0.5000000 0.2580645), wk = 0.0029586 k( 262) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0029586 k( 263) = ( 0.2419355 0.5000000 0.2419355), wk = 0.0029586 k( 264) = ( 0.2338710 0.5000000 0.2338710), wk = 0.0029586 k( 265) = ( 0.2258064 0.5000000 0.2258064), wk = 0.0029586 k( 266) = ( 0.2177419 0.5000000 0.2177419), wk = 0.0029586 k( 267) = ( 0.2096774 0.5000000 0.2096774), wk = 0.0029586 k( 268) = ( 0.2016129 0.5000000 0.2016129), wk = 0.0029586 k( 269) = ( 0.1935484 0.5000000 0.1935484), wk = 0.0029586 k( 270) = ( 0.1854839 0.5000000 0.1854839), wk = 0.0029586 k( 271) = ( 0.1774194 0.5000000 0.1774194), wk = 0.0029586 k( 272) = ( 0.1693548 0.5000000 0.1693548), wk = 0.0029586 k( 273) = ( 0.1612903 0.5000000 0.1612903), wk = 0.0029586 k( 274) = ( 0.1532258 0.5000000 0.1532258), wk = 0.0029586 k( 275) = ( 0.1451613 0.5000000 0.1451613), wk = 0.0029586 k( 276) = ( 0.1370968 0.5000000 0.1370968), wk = 0.0029586 k( 277) = ( 0.1290323 0.5000000 0.1290323), wk = 0.0029586 k( 278) = ( 0.1209677 0.5000000 0.1209677), wk = 0.0029586 k( 279) = ( 0.1129032 0.5000000 0.1129032), wk = 0.0029586 k( 280) = ( 0.1048387 0.5000000 0.1048387), wk = 0.0029586 k( 281) = ( 0.0967742 0.5000000 0.0967742), wk = 0.0029586 k( 282) = ( 0.0887097 0.5000000 0.0887097), wk = 0.0029586 k( 283) = ( 0.0806452 0.5000000 0.0806452), wk = 0.0029586 k( 284) = ( 0.0725806 0.5000000 0.0725806), wk = 0.0029586 k( 285) = ( 0.0645161 0.5000000 0.0645161), wk = 0.0029586 k( 286) = ( 0.0564516 0.5000000 0.0564516), wk = 0.0029586 k( 287) = ( 0.0483871 0.5000000 0.0483871), wk = 0.0029586 k( 288) = ( 0.0403226 0.5000000 0.0403226), wk = 0.0029586 k( 289) = ( 0.0322581 0.5000000 0.0322581), wk = 0.0029586 k( 290) = ( 0.0241936 0.5000000 0.0241936), wk = 0.0029586 k( 291) = ( 0.0161290 0.5000000 0.0161290), wk = 0.0029586 k( 292) = ( 0.0080645 0.5000000 0.0080645), wk = 0.0029586 k( 293) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 294) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 295) = ( 0.5000000 0.5000000 0.0113636), wk = 0.0029586 k( 296) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0029586 k( 297) = ( 0.5000000 0.5000000 0.0340909), wk = 0.0029586 k( 298) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0029586 k( 299) = ( 0.5000000 0.5000000 0.0568182), wk = 0.0029586 k( 300) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0029586 k( 301) = ( 0.5000000 0.5000000 0.0795455), wk = 0.0029586 k( 302) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0029586 k( 303) = ( 0.5000000 0.5000000 0.1022727), wk = 0.0029586 k( 304) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0029586 k( 305) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0029586 k( 306) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0029586 k( 307) = ( 0.5000000 0.5000000 0.1477273), wk = 0.0029586 k( 308) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0029586 k( 309) = ( 0.5000000 0.5000000 0.1704546), wk = 0.0029586 k( 310) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0029586 k( 311) = ( 0.5000000 0.5000000 0.1931818), wk = 0.0029586 k( 312) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0029586 k( 313) = ( 0.5000000 0.5000000 0.2159091), wk = 0.0029586 k( 314) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 0.2386364), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 0.2613636), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 0.2840909), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 0.3068182), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 0.3295455), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 0.3522727), wk = 0.0029586 k( 326) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0029586 k( 327) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0029586 k( 328) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0029586 k( 329) = ( 0.5000000 0.5000000 0.3977273), wk = 0.0029586 k( 330) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0029586 k( 331) = ( 0.5000000 0.5000000 0.4204545), wk = 0.0029586 k( 332) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0029586 k( 333) = ( 0.5000000 0.5000000 0.4431818), wk = 0.0029586 k( 334) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0029586 k( 335) = ( 0.5000000 0.5000000 0.4659091), wk = 0.0029586 k( 336) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0029586 k( 337) = ( 0.5000000 0.5000000 0.4886364), wk = 0.0029586 k( 338) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 Dense grid: 22143 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 13301 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 96, 30) NL pseudopotentials 0.05 Mb ( 48, 68) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 614) G-vector shells 0.00 Mb ( 169) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 96, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./YAg.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.7 secs Computing kpt #: 9 total cpu time spent up to now is 2.8 secs Computing kpt #: 10 total cpu time spent up to now is 2.9 secs Computing kpt #: 11 total cpu time spent up to now is 3.0 secs Computing kpt #: 12 total cpu time spent up to now is 3.1 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 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.4 secs Computing kpt #: 16 total cpu time spent up to now is 3.5 secs Computing kpt #: 17 total cpu time spent up to now is 3.6 secs Computing kpt #: 18 total cpu time spent up to now is 3.7 secs Computing kpt #: 19 total cpu time spent up to now is 3.8 secs Computing kpt #: 20 total cpu time spent up to now is 3.9 secs Computing kpt #: 21 total cpu time spent up to now is 4.1 secs Computing kpt #: 22 total cpu time spent up to now is 4.2 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.4 secs Computing kpt #: 25 total cpu time spent up to now is 4.5 secs Computing kpt #: 26 total cpu time spent up to now is 4.6 secs Computing kpt #: 27 total cpu time spent up to now is 4.7 secs Computing kpt #: 28 total cpu time spent up to now is 4.8 secs Computing kpt #: 29 total cpu time spent up to now is 4.9 secs Computing kpt #: 30 total cpu time spent up to now is 5.0 secs Computing kpt #: 31 total cpu time spent up to now is 5.2 secs Computing kpt #: 32 total cpu time spent up to now is 5.3 secs Computing kpt #: 33 total cpu time spent up to now is 5.4 secs Computing kpt #: 34 total cpu time spent up to now is 5.5 secs Computing kpt #: 35 total cpu time spent up to now is 5.6 secs Computing kpt #: 36 total cpu time spent up to now is 5.7 secs Computing kpt #: 37 total cpu time spent up to now is 5.7 secs Computing kpt #: 38 total cpu time spent up to now is 5.8 secs Computing kpt #: 39 total cpu time spent up to now is 5.9 secs Computing kpt #: 40 total cpu time spent up to now is 6.0 secs Computing kpt #: 41 total cpu time spent up to now is 6.1 secs Computing kpt #: 42 total cpu time spent up to now is 6.2 secs Computing kpt #: 43 total cpu time spent up to now is 6.3 secs Computing kpt #: 44 total cpu time spent up to now is 6.4 secs Computing kpt #: 45 total cpu time spent up to now is 6.5 secs Computing kpt #: 46 total cpu time spent up to now is 6.5 secs Computing kpt #: 47 total cpu time spent up to now is 6.6 secs Computing kpt #: 48 total cpu time spent up to now is 6.7 secs Computing kpt #: 49 total cpu time spent up to now is 6.8 secs Computing kpt #: 50 total cpu time spent up to now is 6.9 secs Computing kpt #: 51 total cpu time spent up to now is 7.0 secs Computing kpt #: 52 total cpu time spent up to now is 7.1 secs Computing kpt #: 53 total cpu time spent up to now is 7.2 secs Computing kpt #: 54 total cpu time spent up to now is 7.3 secs Computing kpt #: 55 total cpu time spent up to now is 7.3 secs Computing kpt #: 56 total cpu time spent up to now is 7.4 secs Computing kpt #: 57 total cpu time spent up to now is 7.5 secs Computing kpt #: 58 total cpu time spent up to now is 7.6 secs Computing kpt #: 59 total cpu time spent up to now is 7.7 secs Computing kpt #: 60 total cpu time spent up to now is 7.8 secs Computing kpt #: 61 total cpu time spent up to now is 7.9 secs Computing kpt #: 62 total cpu time spent up to now is 8.1 secs Computing kpt #: 63 total cpu time spent up to now is 8.2 secs Computing kpt #: 64 total cpu time spent up to now is 8.3 secs Computing kpt #: 65 total cpu time spent up to now is 8.3 secs Computing kpt #: 66 total cpu time spent up to now is 8.4 secs Computing kpt #: 67 total cpu time spent up to now is 8.5 secs Computing kpt #: 68 total cpu time spent up to now is 8.6 secs Computing kpt #: 69 total cpu time spent up to now is 8.7 secs Computing kpt #: 70 total cpu time spent up to now is 8.8 secs Computing kpt #: 71 total cpu time spent up to now is 8.9 secs Computing kpt #: 72 total cpu time spent up to now is 9.0 secs Computing kpt #: 73 total cpu time spent up to now is 9.1 secs Computing kpt #: 74 total cpu time spent up to now is 9.2 secs Computing kpt #: 75 total cpu time spent up to now is 9.3 secs Computing kpt #: 76 total cpu time spent up to now is 9.4 secs Computing kpt #: 77 total cpu time spent up to now is 9.5 secs Computing kpt #: 78 total cpu time spent up to now is 9.6 secs Computing kpt #: 79 total cpu time spent up to now is 9.7 secs Computing kpt #: 80 total cpu time spent up to now is 9.9 secs Computing kpt #: 81 total cpu time spent up to now is 10.0 secs Computing kpt #: 82 total cpu time spent up to now is 10.1 secs Computing kpt #: 83 total cpu time spent up to now is 10.2 secs Computing kpt #: 84 total cpu time spent up to now is 10.3 secs Computing kpt #: 85 total cpu time spent up to now is 10.4 secs Computing kpt #: 86 total cpu time spent up to now is 10.5 secs Computing kpt #: 87 total cpu time spent up to now is 10.6 secs Computing kpt #: 88 total cpu time spent up to now is 10.7 secs Computing kpt #: 89 total cpu time spent up to now is 10.8 secs Computing kpt #: 90 total cpu time spent up to now is 10.9 secs Computing kpt #: 91 total cpu time spent up to now is 10.9 secs Computing kpt #: 92 total cpu time spent up to now is 11.0 secs Computing kpt #: 93 total cpu time spent up to now is 11.1 secs Computing kpt #: 94 total cpu time spent up to now is 11.2 secs Computing kpt #: 95 total cpu time spent up to now is 11.3 secs Computing kpt #: 96 total cpu time spent up to now is 11.4 secs Computing kpt #: 97 total cpu time spent up to now is 11.5 secs Computing kpt #: 98 total cpu time spent up to now is 11.6 secs Computing kpt #: 99 total cpu time spent up to now is 11.7 secs Computing kpt #: 100 total cpu time spent up to now is 11.8 secs Computing kpt #: 101 total cpu time spent up to now is 11.9 secs Computing kpt #: 102 total cpu time spent up to now is 12.0 secs Computing kpt #: 103 total cpu time spent up to now is 12.2 secs Computing kpt #: 104 total cpu time spent up to now is 12.3 secs Computing kpt #: 105 total cpu time spent up to now is 12.4 secs Computing kpt #: 106 total cpu time spent up to now is 12.5 secs Computing kpt #: 107 total cpu time spent up to now is 12.6 secs Computing kpt #: 108 total cpu time spent up to now is 12.7 secs Computing kpt #: 109 total cpu time spent up to now is 12.8 secs Computing kpt #: 110 total cpu time spent up to now is 12.9 secs Computing kpt #: 111 total cpu time spent up to now is 13.0 secs Computing kpt #: 112 total cpu time spent up to now is 13.1 secs Computing kpt #: 113 total cpu time spent up to now is 13.2 secs Computing kpt #: 114 total cpu time spent up to now is 13.3 secs Computing kpt #: 115 total cpu time spent up to now is 13.4 secs Computing kpt #: 116 total cpu time spent up to now is 13.5 secs Computing kpt #: 117 total cpu time spent up to now is 13.6 secs Computing kpt #: 118 total cpu time spent up to now is 13.7 secs Computing kpt #: 119 total cpu time spent up to now is 13.8 secs Computing kpt #: 120 total cpu time spent up to now is 13.9 secs Computing kpt #: 121 total cpu time spent up to now is 14.0 secs Computing kpt #: 122 total cpu time spent up to now is 14.1 secs Computing kpt #: 123 total cpu time spent up to now is 14.2 secs Computing kpt #: 124 total cpu time spent up to now is 14.3 secs Computing kpt #: 125 total cpu time spent up to now is 14.4 secs Computing kpt #: 126 total cpu time spent up to now is 14.5 secs Computing kpt #: 127 total cpu time spent up to now is 14.6 secs Computing kpt #: 128 total cpu time spent up to now is 14.8 secs Computing kpt #: 129 total cpu time spent up to now is 14.9 secs Computing kpt #: 130 total cpu time spent up to now is 15.0 secs Computing kpt #: 131 total cpu time spent up to now is 15.1 secs Computing kpt #: 132 total cpu time spent up to now is 15.2 secs Computing kpt #: 133 total cpu time spent up to now is 15.3 secs Computing kpt #: 134 total cpu time spent up to now is 15.4 secs Computing kpt #: 135 total cpu time spent up to now is 15.5 secs Computing kpt #: 136 total cpu time spent up to now is 15.6 secs Computing kpt #: 137 total cpu time spent up to now is 15.7 secs Computing kpt #: 138 total cpu time spent up to now is 15.8 secs Computing kpt #: 139 total cpu time spent up to now is 15.9 secs Computing kpt #: 140 total cpu time spent up to now is 16.0 secs Computing kpt #: 141 total cpu time spent up to now is 16.1 secs Computing kpt #: 142 total cpu time spent up to now is 16.2 secs Computing kpt #: 143 total cpu time spent up to now is 16.3 secs Computing kpt #: 144 total cpu time spent up to now is 16.4 secs Computing kpt #: 145 total cpu time spent up to now is 16.5 secs Computing kpt #: 146 total cpu time spent up to now is 16.6 secs Computing kpt #: 147 total cpu time spent up to now is 16.7 secs Computing kpt #: 148 total cpu time spent up to now is 16.8 secs Computing kpt #: 149 total cpu time spent up to now is 16.9 secs Computing kpt #: 150 total cpu time spent up to now is 17.0 secs Computing kpt #: 151 total cpu time spent up to now is 17.1 secs Computing kpt #: 152 total cpu time spent up to now is 17.2 secs Computing kpt #: 153 total cpu time spent up to now is 17.3 secs Computing kpt #: 154 total cpu time spent up to now is 17.4 secs Computing kpt #: 155 total cpu time spent up to now is 17.5 secs Computing kpt #: 156 total cpu time spent up to now is 17.6 secs Computing kpt #: 157 total cpu time spent up to now is 17.7 secs Computing kpt #: 158 total cpu time spent up to now is 17.8 secs Computing kpt #: 159 total cpu time spent up to now is 17.9 secs Computing kpt #: 160 total cpu time spent up to now is 18.0 secs Computing kpt #: 161 total cpu time spent up to now is 18.1 secs Computing kpt #: 162 total cpu time spent up to now is 18.2 secs Computing kpt #: 163 total cpu time spent up to now is 18.4 secs Computing kpt #: 164 total cpu time spent up to now is 18.5 secs Computing kpt #: 165 total cpu time spent up to now is 18.6 secs Computing kpt #: 166 total cpu time spent up to now is 18.7 secs Computing kpt #: 167 total cpu time spent up to now is 18.8 secs Computing kpt #: 168 total cpu time spent up to now is 18.9 secs Computing kpt #: 169 total cpu time spent up to now is 19.0 secs Computing kpt #: 170 total cpu time spent up to now is 19.1 secs Computing kpt #: 171 total cpu time spent up to now is 19.2 secs Computing kpt #: 172 total cpu time spent up to now is 19.3 secs Computing kpt #: 173 total cpu time spent up to now is 19.4 secs Computing kpt #: 174 total cpu time spent up to now is 19.5 secs Computing kpt #: 175 total cpu time spent up to now is 19.6 secs Computing kpt #: 176 total cpu time spent up to now is 19.7 secs Computing kpt #: 177 total cpu time spent up to now is 19.8 secs Computing kpt #: 178 total cpu time spent up to now is 19.9 secs Computing kpt #: 179 total cpu time spent up to now is 20.0 secs Computing kpt #: 180 total cpu time spent up to now is 20.1 secs Computing kpt #: 181 total cpu time spent up to now is 20.2 secs Computing kpt #: 182 total cpu time spent up to now is 20.3 secs Computing kpt #: 183 total cpu time spent up to now is 20.4 secs Computing kpt #: 184 total cpu time spent up to now is 20.5 secs Computing kpt #: 185 total cpu time spent up to now is 20.6 secs Computing kpt #: 186 total cpu time spent up to now is 20.7 secs Computing kpt #: 187 total cpu time spent up to now is 20.8 secs Computing kpt #: 188 total cpu time spent up to now is 21.0 secs Computing kpt #: 189 total cpu time spent up to now is 21.1 secs Computing kpt #: 190 total cpu time spent up to now is 21.2 secs Computing kpt #: 191 total cpu time spent up to now is 21.3 secs Computing kpt #: 192 total cpu time spent up to now is 21.4 secs Computing kpt #: 193 total cpu time spent up to now is 21.5 secs Computing kpt #: 194 total cpu time spent up to now is 21.6 secs Computing kpt #: 195 total cpu time spent up to now is 21.7 secs Computing kpt #: 196 total cpu time spent up to now is 21.8 secs Computing kpt #: 197 total cpu time spent up to now is 21.9 secs Computing kpt #: 198 total cpu time spent up to now is 22.0 secs Computing kpt #: 199 total cpu time spent up to now is 22.1 secs Computing kpt #: 200 total cpu time spent up to now is 22.2 secs Computing kpt #: 201 total cpu time spent up to now is 22.4 secs Computing kpt #: 202 total cpu time spent up to now is 22.5 secs Computing kpt #: 203 total cpu time spent up to now is 22.6 secs Computing kpt #: 204 total cpu time spent up to now is 22.7 secs Computing kpt #: 205 total cpu time spent up to now is 22.8 secs Computing kpt #: 206 total cpu time spent up to now is 22.9 secs Computing kpt #: 207 total cpu time spent up to now is 23.1 secs Computing kpt #: 208 total cpu time spent up to now is 23.2 secs Computing kpt #: 209 total cpu time spent up to now is 23.3 secs Computing kpt #: 210 total cpu time spent up to now is 23.4 secs Computing kpt #: 211 total cpu time spent up to now is 23.6 secs Computing kpt #: 212 total cpu time spent up to now is 23.7 secs Computing kpt #: 213 total cpu time spent up to now is 23.8 secs Computing kpt #: 214 total cpu time spent up to now is 23.9 secs Computing kpt #: 215 total cpu time spent up to now is 24.1 secs Computing kpt #: 216 total cpu time spent up to now is 24.2 secs Computing kpt #: 217 total cpu time spent up to now is 24.3 secs Computing kpt #: 218 total cpu time spent up to now is 24.4 secs Computing kpt #: 219 total cpu time spent up to now is 24.6 secs Computing kpt #: 220 total cpu time spent up to now is 24.7 secs Computing kpt #: 221 total cpu time spent up to now is 24.8 secs Computing kpt #: 222 total cpu time spent up to now is 24.9 secs Computing kpt #: 223 total cpu time spent up to now is 25.0 secs Computing kpt #: 224 total cpu time spent up to now is 25.2 secs Computing kpt #: 225 total cpu time spent up to now is 25.3 secs Computing kpt #: 226 total cpu time spent up to now is 25.4 secs Computing kpt #: 227 total cpu time spent up to now is 25.5 secs Computing kpt #: 228 total cpu time spent up to now is 25.7 secs Computing kpt #: 229 total cpu time spent up to now is 25.8 secs Computing kpt #: 230 total cpu time spent up to now is 25.9 secs Computing kpt #: 231 total cpu time spent up to now is 26.0 secs Computing kpt #: 232 total cpu time spent up to now is 26.1 secs Computing kpt #: 233 total cpu time spent up to now is 26.2 secs Computing kpt #: 234 total cpu time spent up to now is 26.3 secs Computing kpt #: 235 total cpu time spent up to now is 26.5 secs Computing kpt #: 236 total cpu time spent up to now is 26.6 secs Computing kpt #: 237 total cpu time spent up to now is 26.7 secs Computing kpt #: 238 total cpu time spent up to now is 26.9 secs Computing kpt #: 239 total cpu time spent up to now is 27.0 secs Computing kpt #: 240 total cpu time spent up to now is 27.1 secs Computing kpt #: 241 total cpu time spent up to now is 27.2 secs Computing kpt #: 242 total cpu time spent up to now is 27.4 secs Computing kpt #: 243 total cpu time spent up to now is 27.5 secs Computing kpt #: 244 total cpu time spent up to now is 27.6 secs Computing kpt #: 245 total cpu time spent up to now is 27.7 secs Computing kpt #: 246 total cpu time spent up to now is 27.9 secs Computing kpt #: 247 total cpu time spent up to now is 28.0 secs Computing kpt #: 248 total cpu time spent up to now is 28.1 secs Computing kpt #: 249 total cpu time spent up to now is 28.2 secs Computing kpt #: 250 total cpu time spent up to now is 28.4 secs Computing kpt #: 251 total cpu time spent up to now is 28.5 secs Computing kpt #: 252 total cpu time spent up to now is 28.6 secs Computing kpt #: 253 total cpu time spent up to now is 28.8 secs Computing kpt #: 254 total cpu time spent up to now is 28.9 secs Computing kpt #: 255 total cpu time spent up to now is 29.0 secs Computing kpt #: 256 total cpu time spent up to now is 29.1 secs Computing kpt #: 257 total cpu time spent up to now is 29.3 secs Computing kpt #: 258 total cpu time spent up to now is 29.4 secs Computing kpt #: 259 total cpu time spent up to now is 29.5 secs Computing kpt #: 260 total cpu time spent up to now is 29.6 secs Computing kpt #: 261 total cpu time spent up to now is 29.7 secs Computing kpt #: 262 total cpu time spent up to now is 29.8 secs Computing kpt #: 263 total cpu time spent up to now is 30.0 secs Computing kpt #: 264 total cpu time spent up to now is 30.1 secs Computing kpt #: 265 total cpu time spent up to now is 30.2 secs Computing kpt #: 266 total cpu time spent up to now is 30.3 secs Computing kpt #: 267 total cpu time spent up to now is 30.4 secs Computing kpt #: 268 total cpu time spent up to now is 30.5 secs Computing kpt #: 269 total cpu time spent up to now is 30.6 secs Computing kpt #: 270 total cpu time spent up to now is 30.7 secs Computing kpt #: 271 total cpu time spent up to now is 30.8 secs Computing kpt #: 272 total cpu time spent up to now is 30.9 secs Computing kpt #: 273 total cpu time spent up to now is 31.0 secs Computing kpt #: 274 total cpu time spent up to now is 31.1 secs Computing kpt #: 275 total cpu time spent up to now is 31.2 secs Computing kpt #: 276 total cpu time spent up to now is 31.3 secs Computing kpt #: 277 total cpu time spent up to now is 31.3 secs Computing kpt #: 278 total cpu time spent up to now is 31.4 secs Computing kpt #: 279 total cpu time spent up to now is 31.5 secs Computing kpt #: 280 total cpu time spent up to now is 31.6 secs Computing kpt #: 281 total cpu time spent up to now is 31.7 secs Computing kpt #: 282 total cpu time spent up to now is 31.8 secs Computing kpt #: 283 total cpu time spent up to now is 31.9 secs Computing kpt #: 284 total cpu time spent up to now is 32.0 secs Computing kpt #: 285 total cpu time spent up to now is 32.1 secs Computing kpt #: 286 total cpu time spent up to now is 32.2 secs Computing kpt #: 287 total cpu time spent up to now is 32.3 secs Computing kpt #: 288 total cpu time spent up to now is 32.3 secs Computing kpt #: 289 total cpu time spent up to now is 32.4 secs Computing kpt #: 290 total cpu time spent up to now is 32.5 secs Computing kpt #: 291 total cpu time spent up to now is 32.6 secs Computing kpt #: 292 total cpu time spent up to now is 32.7 secs Computing kpt #: 293 total cpu time spent up to now is 32.8 secs Computing kpt #: 294 total cpu time spent up to now is 32.9 secs Computing kpt #: 295 total cpu time spent up to now is 33.0 secs Computing kpt #: 296 total cpu time spent up to now is 33.1 secs Computing kpt #: 297 total cpu time spent up to now is 33.2 secs Computing kpt #: 298 total cpu time spent up to now is 33.2 secs Computing kpt #: 299 total cpu time spent up to now is 33.3 secs Computing kpt #: 300 total cpu time spent up to now is 33.4 secs Computing kpt #: 301 total cpu time spent up to now is 33.5 secs Computing kpt #: 302 total cpu time spent up to now is 33.6 secs Computing kpt #: 303 total cpu time spent up to now is 33.7 secs Computing kpt #: 304 total cpu time spent up to now is 33.8 secs Computing kpt #: 305 total cpu time spent up to now is 33.9 secs Computing kpt #: 306 total cpu time spent up to now is 34.0 secs Computing kpt #: 307 total cpu time spent up to now is 34.1 secs Computing kpt #: 308 total cpu time spent up to now is 34.3 secs Computing kpt #: 309 total cpu time spent up to now is 34.4 secs Computing kpt #: 310 total cpu time spent up to now is 34.5 secs Computing kpt #: 311 total cpu time spent up to now is 34.6 secs Computing kpt #: 312 total cpu time spent up to now is 34.7 secs Computing kpt #: 313 total cpu time spent up to now is 34.9 secs Computing kpt #: 314 total cpu time spent up to now is 35.0 secs Computing kpt #: 315 total cpu time spent up to now is 35.1 secs Computing kpt #: 316 total cpu time spent up to now is 35.3 secs Computing kpt #: 317 total cpu time spent up to now is 35.4 secs Computing kpt #: 318 total cpu time spent up to now is 35.6 secs Computing kpt #: 319 total cpu time spent up to now is 35.8 secs Computing kpt #: 320 total cpu time spent up to now is 36.0 secs Computing kpt #: 321 total cpu time spent up to now is 36.2 secs Computing kpt #: 322 total cpu time spent up to now is 36.3 secs Computing kpt #: 323 total cpu time spent up to now is 36.5 secs Computing kpt #: 324 total cpu time spent up to now is 36.6 secs Computing kpt #: 325 total cpu time spent up to now is 36.7 secs Computing kpt #: 326 total cpu time spent up to now is 36.8 secs Computing kpt #: 327 total cpu time spent up to now is 37.0 secs Computing kpt #: 328 total cpu time spent up to now is 37.1 secs Computing kpt #: 329 total cpu time spent up to now is 37.2 secs Computing kpt #: 330 total cpu time spent up to now is 37.3 secs Computing kpt #: 331 total cpu time spent up to now is 37.4 secs Computing kpt #: 332 total cpu time spent up to now is 37.5 secs Computing kpt #: 333 total cpu time spent up to now is 37.7 secs Computing kpt #: 334 total cpu time spent up to now is 37.8 secs Computing kpt #: 335 total cpu time spent up to now is 37.9 secs Computing kpt #: 336 total cpu time spent up to now is 38.1 secs Computing kpt #: 337 total cpu time spent up to now is 38.2 secs Computing kpt #: 338 total cpu time spent up to now is 38.3 secs ethr = 4.55E-08, avg # of iterations = 12.6 total cpu time spent up to now is 38.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1743 PWs) bands (ev): -31.2987 -31.2987 -12.1621 -12.1621 -10.7051 -10.7051 -10.7051 -10.7051 5.4072 5.4072 6.1580 6.1580 6.1580 6.1580 6.9926 6.9926 6.9926 6.9926 7.2522 7.2522 12.2803 12.2803 12.2803 12.2803 15.8776 15.8776 15.8776 15.8776 15.9795 15.9795 k = 0.0000 0.0114-0.0000 ( 1743 PWs) bands (ev): -31.2987 -31.2987 -12.1622 -12.1622 -10.7053 -10.7053 -10.7050 -10.7050 5.4092 5.4092 6.1584 6.1584 6.1587 6.1587 6.9925 6.9925 6.9926 6.9926 7.2521 7.2521 12.2799 12.2799 12.2805 12.2805 15.8658 15.8658 15.8740 15.8740 15.9727 15.9727 k = 0.0000 0.0227-0.0000 ( 1723 PWs) bands (ev): -31.2986 -31.2986 -12.1624 -12.1624 -10.7061 -10.7061 -10.7049 -10.7049 5.4152 5.4152 6.1593 6.1593 6.1610 6.1610 6.9925 6.9925 6.9930 6.9930 7.2521 7.2521 12.2786 12.2786 12.2812 12.2812 15.8318 15.8318 15.8609 15.8609 15.9558 15.9558 k = 0.0000 0.0341-0.0000 ( 1723 PWs) bands (ev): -31.2985 -31.2985 -12.1629 -12.1629 -10.7075 -10.7075 -10.7048 -10.7048 5.4251 5.4251 6.1608 6.1608 6.1645 6.1645 6.9922 6.9922 6.9933 6.9933 7.2518 7.2518 12.2765 12.2765 12.2820 12.2820 15.7787 15.7787 15.8319 15.8319 15.9371 15.9371 k = 0.0000 0.0455-0.0000 ( 1715 PWs) bands (ev): -31.2983 -31.2983 -12.1636 -12.1636 -10.7094 -10.7094 -10.7046 -10.7046 5.4391 5.4391 6.1630 6.1630 6.1693 6.1693 6.9919 6.9919 6.9939 6.9939 7.2515 7.2515 12.2735 12.2735 12.2828 12.2828 15.7109 15.7109 15.7829 15.7829 15.9236 15.9236 k = 0.0000 0.0568-0.0000 ( 1703 PWs) bands (ev): -31.2980 -31.2980 -12.1645 -12.1645 -10.7118 -10.7118 -10.7043 -10.7043 5.4570 5.4570 6.1658 6.1658 6.1755 6.1755 6.9915 6.9915 6.9946 6.9946 7.2511 7.2511 12.2697 12.2697 12.2837 12.2837 15.6320 15.6320 15.7174 15.7174 15.9148 15.9148 k = 0.0000 0.0682-0.0000 ( 1703 PWs) bands (ev): -31.2977 -31.2977 -12.1655 -12.1655 -10.7147 -10.7147 -10.7040 -10.7040 5.4788 5.4788 6.1690 6.1690 6.1830 6.1830 6.9909 6.9909 6.9954 6.9954 7.2505 7.2505 12.2650 12.2650 12.2841 12.2841 15.5455 15.5455 15.6406 15.6406 15.9082 15.9082 k = 0.0000 0.0795-0.0000 ( 1703 PWs) bands (ev): -31.2974 -31.2974 -12.1668 -12.1668 -10.7181 -10.7181 -10.7036 -10.7036 5.5044 5.5044 6.1729 6.1729 6.1918 6.1918 6.9903 6.9903 6.9963 6.9963 7.2498 7.2498 12.2595 12.2595 12.2840 12.2840 15.4537 15.4537 15.5563 15.5563 15.9024 15.9024 k = 0.0000 0.0909-0.0000 ( 1699 PWs) bands (ev): -31.2970 -31.2970 -12.1682 -12.1682 -10.7220 -10.7220 -10.7032 -10.7032 5.5339 5.5339 6.1773 6.1773 6.2020 6.2020 6.9897 6.9897 6.9973 6.9973 7.2490 7.2490 12.2533 12.2533 12.2828 12.2828 15.3586 15.3586 15.4669 15.4669 15.8969 15.8969 k = 0.0000 0.1023-0.0000 ( 1691 PWs) bands (ev): -31.2966 -31.2966 -12.1698 -12.1698 -10.7263 -10.7263 -10.7027 -10.7027 5.5671 5.5671 6.1822 6.1822 6.2133 6.2133 6.9891 6.9891 6.9984 6.9984 7.2483 7.2483 12.2462 12.2462 12.2801 12.2801 15.2615 15.2615 15.3742 15.3742 15.8912 15.8912 k = 0.0000 0.1136-0.0000 ( 1683 PWs) bands (ev): -31.2961 -31.2961 -12.1716 -12.1716 -10.7310 -10.7310 -10.7021 -10.7021 5.6039 5.6039 6.1876 6.1876 6.2258 6.2258 6.9885 6.9885 6.9996 6.9996 7.2475 7.2475 12.2385 12.2385 12.2755 12.2755 15.1635 15.1635 15.2795 15.2795 15.8853 15.8853 k = 0.0000 0.1250-0.0000 ( 1683 PWs) bands (ev): -31.2956 -31.2956 -12.1736 -12.1736 -10.7361 -10.7361 -10.7016 -10.7016 5.6443 5.6443 6.1935 6.1935 6.2394 6.2394 6.9879 6.9879 7.0009 7.0009 7.2466 7.2466 12.2300 12.2300 12.2684 12.2684 15.0654 15.0654 15.1837 15.1837 15.8791 15.8791 k = 0.0000 0.1364-0.0000 ( 1683 PWs) bands (ev): -31.2951 -31.2951 -12.1758 -12.1758 -10.7415 -10.7415 -10.7010 -10.7010 5.6881 5.6881 6.1998 6.1998 6.2542 6.2542 6.9875 6.9875 7.0022 7.0022 7.2458 7.2458 12.2208 12.2208 12.2581 12.2581 14.9677 14.9677 15.0877 15.0877 15.8726 15.8726 k = 0.0000 0.1477-0.0000 ( 1683 PWs) bands (ev): -31.2945 -31.2945 -12.1781 -12.1781 -10.7472 -10.7472 -10.7003 -10.7003 5.7351 5.7351 6.2065 6.2065 6.2702 6.2702 6.9872 6.9872 7.0036 7.0036 7.2449 7.2449 12.2110 12.2110 12.2439 12.2439 14.8710 14.8710 14.9921 14.9921 15.8658 15.8658 k = 0.0000 0.1591-0.0000 ( 1683 PWs) bands (ev): -31.2939 -31.2939 -12.1805 -12.1805 -10.7533 -10.7533 -10.6996 -10.6996 5.7852 5.7852 6.2137 6.2137 6.2873 6.2873 6.9870 6.9870 7.0050 7.0050 7.2441 7.2441 12.2006 12.2006 12.2252 12.2252 14.7756 14.7756 14.8973 14.8973 15.8587 15.8587 k = 0.0000 0.1705-0.0000 ( 1683 PWs) bands (ev): -31.2933 -31.2933 -12.1831 -12.1831 -10.7595 -10.7595 -10.6989 -10.6989 5.8381 5.8381 6.2211 6.2211 6.3057 6.3057 6.9872 6.9872 7.0064 7.0064 7.2433 7.2433 12.1897 12.1897 12.2012 12.2012 14.6819 14.6819 14.8037 14.8037 15.8513 15.8513 k = 0.0000 0.1818-0.0000 ( 1683 PWs) bands (ev): -31.2926 -31.2926 -12.1858 -12.1858 -10.7660 -10.7660 -10.6982 -10.6982 5.8934 5.8934 6.2289 6.2289 6.3256 6.3256 6.9877 6.9877 7.0079 7.0079 7.2427 7.2427 12.1713 12.1713 12.1782 12.1782 14.5900 14.5900 14.7117 14.7117 15.8436 15.8436 k = 0.0000 0.1932-0.0000 ( 1679 PWs) bands (ev): -31.2919 -31.2919 -12.1886 -12.1886 -10.7726 -10.7726 -10.6974 -10.6974 5.9506 5.9506 6.2369 6.2369 6.3472 6.3472 6.9887 6.9887 7.0093 7.0093 7.2421 7.2421 12.1348 12.1348 12.1663 12.1663 14.5003 14.5003 14.6214 14.6214 15.8357 15.8357 k = 0.0000 0.2045-0.0000 ( 1683 PWs) bands (ev): -31.2912 -31.2912 -12.1916 -12.1916 -10.7794 -10.7794 -10.6966 -10.6966 6.0091 6.0091 6.2451 6.2451 6.3709 6.3709 6.9901 6.9901 7.0108 7.0108 7.2416 7.2416 12.0910 12.0910 12.1540 12.1540 14.4128 14.4128 14.5332 14.5332 15.8276 15.8276 k = 0.0000 0.2159-0.0000 ( 1683 PWs) bands (ev): -31.2905 -31.2905 -12.1946 -12.1946 -10.7862 -10.7862 -10.6958 -10.6958 6.0678 6.0678 6.2535 6.2535 6.3975 6.3975 6.9923 6.9923 7.0122 7.0122 7.2412 7.2412 12.0395 12.0395 12.1413 12.1413 14.3277 14.3277 14.4473 14.4473 15.8193 15.8193 k = 0.0000 0.2273-0.0000 ( 1679 PWs) bands (ev): -31.2898 -31.2898 -12.1977 -12.1977 -10.7931 -10.7931 -10.6950 -10.6950 6.1253 6.1253 6.2621 6.2621 6.4282 6.4282 6.9955 6.9955 7.0136 7.0136 7.2409 7.2409 11.9800 11.9800 12.1284 12.1284 14.2452 14.2452 14.3637 14.3637 15.8109 15.8109 k = 0.0000 0.2386-0.0000 ( 1687 PWs) bands (ev): -31.2890 -31.2890 -12.2009 -12.2009 -10.8000 -10.8000 -10.6942 -10.6942 6.1800 6.1800 6.2707 6.2707 6.4640 6.4640 6.9997 6.9997 7.0148 7.0148 7.2407 7.2407 11.9123 11.9123 12.1151 12.1151 14.1653 14.1653 14.2827 14.2827 15.8025 15.8025 k = 0.0000 0.2500-0.0000 ( 1687 PWs) bands (ev): -31.2883 -31.2883 -12.2041 -12.2041 -10.8068 -10.8068 -10.6933 -10.6933 6.2298 6.2298 6.2794 6.2794 6.5063 6.5063 7.0056 7.0056 7.0161 7.0161 7.2407 7.2407 11.8365 11.8365 12.1018 12.1018 14.0882 14.0882 14.2044 14.2044 15.7940 15.7940 k = 0.0000 0.2614-0.0000 ( 1687 PWs) bands (ev): -31.2875 -31.2875 -12.2074 -12.2074 -10.8136 -10.8136 -10.6925 -10.6925 6.2733 6.2733 6.2881 6.2881 6.5560 6.5560 7.0137 7.0137 7.0173 7.0173 7.2409 7.2409 11.7527 11.7527 12.0884 12.0884 14.0139 14.0139 14.1289 14.1289 15.7855 15.7855 k = 0.0000 0.2727-0.0000 ( 1683 PWs) bands (ev): -31.2868 -31.2868 -12.2107 -12.2107 -10.8203 -10.8203 -10.6917 -10.6917 6.2968 6.2968 6.3102 6.3102 6.6121 6.6121 7.0185 7.0185 7.0250 7.0250 7.2412 7.2412 11.6611 11.6611 12.0749 12.0749 13.9426 13.9426 14.0563 14.0563 15.7770 15.7770 k = 0.0000 0.2841-0.0000 ( 1687 PWs) bands (ev): -31.2861 -31.2861 -12.2140 -12.2140 -10.8269 -10.8269 -10.6908 -10.6908 6.3053 6.3053 6.3411 6.3411 6.6722 6.6722 7.0196 7.0196 7.0413 7.0413 7.2416 7.2416 11.5624 11.5624 12.0615 12.0615 13.8742 13.8742 13.9867 13.9867 15.7687 15.7687 k = 0.0000 0.2955-0.0000 ( 1687 PWs) bands (ev): -31.2854 -31.2854 -12.2173 -12.2173 -10.8334 -10.8334 -10.6900 -10.6900 6.3138 6.3138 6.3671 6.3671 6.7324 6.7324 7.0206 7.0206 7.0650 7.0650 7.2421 7.2421 11.4569 11.4569 12.0482 12.0482 13.8089 13.8089 13.9202 13.9202 15.7604 15.7604 k = 0.0000 0.3068-0.0000 ( 1683 PWs) bands (ev): -31.2846 -31.2846 -12.2205 -12.2205 -10.8396 -10.8396 -10.6892 -10.6892 6.3221 6.3221 6.3894 6.3894 6.7878 6.7878 7.0216 7.0216 7.0999 7.0999 7.2428 7.2428 11.3456 11.3456 12.0351 12.0351 13.7468 13.7468 13.8569 13.8569 15.7523 15.7523 k = 0.0000 0.3182-0.0000 ( 1675 PWs) bands (ev): -31.2840 -31.2840 -12.2236 -12.2236 -10.8456 -10.8456 -10.6884 -10.6884 6.3302 6.3302 6.4086 6.4086 6.8341 6.8341 7.0225 7.0225 7.1495 7.1495 7.2436 7.2436 11.2287 11.2287 12.0223 12.0223 13.6879 13.6879 13.7969 13.7969 15.7445 15.7445 k = 0.0000 0.3295-0.0000 ( 1675 PWs) bands (ev): -31.2833 -31.2833 -12.2268 -12.2268 -10.8513 -10.8513 -10.6877 -10.6877 6.3380 6.3380 6.4255 6.4255 6.8693 6.8693 7.0234 7.0234 7.2146 7.2146 7.2444 7.2444 11.1072 11.1072 12.0098 12.0098 13.6322 13.6322 13.7402 13.7402 15.7369 15.7369 k = 0.0000 0.3409-0.0000 ( 1675 PWs) bands (ev): -31.2827 -31.2827 -12.2298 -12.2298 -10.8569 -10.8569 -10.6870 -10.6870 6.3454 6.3454 6.4404 6.4404 6.8947 6.8947 7.0242 7.0242 7.2453 7.2453 7.2935 7.2935 10.9817 10.9817 11.9977 11.9977 13.5799 13.5799 13.6869 13.6869 15.7296 15.7296 k = 0.0000 0.3523-0.0000 ( 1683 PWs) bands (ev): -31.2820 -31.2820 -12.2327 -12.2327 -10.8621 -10.8621 -10.6863 -10.6863 6.3526 6.3526 6.4535 6.4535 6.9131 6.9131 7.0248 7.0248 7.2463 7.2463 7.3829 7.3829 10.8528 10.8528 11.9860 11.9860 13.5309 13.5309 13.6370 13.6370 15.7226 15.7226 k = 0.0000 0.3636-0.0000 ( 1691 PWs) bands (ev): -31.2815 -31.2815 -12.2355 -12.2355 -10.8670 -10.8670 -10.6856 -10.6856 6.3593 6.3593 6.4653 6.4653 6.9270 6.9270 7.0254 7.0254 7.2472 7.2472 7.4800 7.4800 10.7212 10.7212 11.9749 11.9749 13.4854 13.4854 13.5905 13.5905 15.7159 15.7159 k = 0.0000 0.3750-0.0000 ( 1690 PWs) bands (ev): -31.2809 -31.2809 -12.2381 -12.2381 -10.8716 -10.8716 -10.6850 -10.6850 6.3656 6.3656 6.4757 6.4757 6.9378 6.9378 7.0260 7.0260 7.2483 7.2483 7.5830 7.5830 10.5875 10.5875 11.9644 11.9644 13.4433 13.4433 13.5477 13.5477 15.7097 15.7097 k = 0.0000 0.3864-0.0000 ( 1690 PWs) bands (ev): -31.2804 -31.2804 -12.2406 -12.2406 -10.8758 -10.8758 -10.6845 -10.6845 6.3715 6.3715 6.4848 6.4848 6.9467 6.9467 7.0266 7.0266 7.2493 7.2493 7.6902 7.6902 10.4524 10.4524 11.9546 11.9546 13.4048 13.4048 13.5084 13.5084 15.7039 15.7039 k = 0.0000 0.3977-0.0000 ( 1690 PWs) bands (ev): -31.2799 -31.2799 -12.2428 -12.2428 -10.8797 -10.8797 -10.6839 -10.6839 6.3770 6.3770 6.4929 6.4929 6.9541 6.9541 7.0271 7.0271 7.2503 7.2503 7.8009 7.8009 10.3165 10.3165 11.9455 11.9455 13.3698 13.3698 13.4728 13.4728 15.6986 15.6986 k = 0.0000 0.4091-0.0000 ( 1678 PWs) bands (ev): -31.2795 -31.2795 -12.2449 -12.2449 -10.8832 -10.8832 -10.6834 -10.6834 6.3819 6.3819 6.5000 6.5000 6.9604 6.9604 7.0276 7.0276 7.2513 7.2513 7.9142 7.9142 10.1806 10.1806 11.9372 11.9372 13.3385 13.3385 13.4408 13.4408 15.6938 15.6938 k = 0.0000 0.4205-0.0000 ( 1678 PWs) bands (ev): -31.2791 -31.2791 -12.2468 -12.2468 -10.8863 -10.8863 -10.6830 -10.6830 6.3863 6.3863 6.5060 6.5060 6.9658 6.9658 7.0280 7.0280 7.2522 7.2522 8.0293 8.0293 10.0453 10.0453 11.9298 11.9298 13.3107 13.3107 13.4125 13.4125 15.6894 15.6894 k = 0.0000 0.4318-0.0000 ( 1670 PWs) bands (ev): -31.2788 -31.2788 -12.2484 -12.2484 -10.8890 -10.8890 -10.6826 -10.6826 6.3902 6.3902 6.5112 6.5112 6.9705 6.9705 7.0284 7.0284 7.2530 7.2530 8.1453 8.1453 9.9116 9.9116 11.9232 11.9232 13.2866 13.2866 13.3880 13.3880 15.6856 15.6856 k = 0.0000 0.4432-0.0000 ( 1670 PWs) bands (ev): -31.2785 -31.2785 -12.2498 -12.2498 -10.8913 -10.8913 -10.6823 -10.6823 6.3935 6.3935 6.5154 6.5154 6.9743 6.9743 7.0287 7.0287 7.2537 7.2537 8.2609 8.2609 9.7808 9.7808 11.9176 11.9176 13.2662 13.2662 13.3671 13.3671 15.6824 15.6824 k = 0.0000 0.4545-0.0000 ( 1670 PWs) bands (ev): -31.2783 -31.2783 -12.2510 -12.2510 -10.8932 -10.8932 -10.6821 -10.6821 6.3962 6.3962 6.5188 6.5188 6.9774 6.9774 7.0289 7.0289 7.2543 7.2543 8.3741 8.3741 9.6551 9.6551 11.9130 11.9130 13.2494 13.2494 13.3500 13.3500 15.6797 15.6797 k = 0.0000 0.4659-0.0000 ( 1670 PWs) bands (ev): -31.2781 -31.2781 -12.2519 -12.2519 -10.8947 -10.8947 -10.6818 -10.6818 6.3983 6.3983 6.5214 6.5214 6.9799 6.9799 7.0291 7.0291 7.2548 7.2548 8.4814 8.4814 9.5380 9.5380 11.9093 11.9093 13.2364 13.2364 13.3367 13.3367 15.6776 15.6776 k = 0.0000 0.4773-0.0000 ( 1670 PWs) bands (ev): -31.2780 -31.2780 -12.2526 -12.2526 -10.8958 -10.8958 -10.6817 -10.6817 6.3998 6.3998 6.5233 6.5233 6.9816 6.9816 7.0293 7.0293 7.2552 7.2552 8.5762 8.5762 9.4362 9.4362 11.9067 11.9067 13.2270 13.2270 13.3272 13.3272 15.6761 15.6761 k = 0.0000 0.4886-0.0000 ( 1670 PWs) bands (ev): -31.2779 -31.2779 -12.2530 -12.2530 -10.8964 -10.8964 -10.6816 -10.6816 6.4007 6.4007 6.5244 6.5244 6.9827 6.9827 7.0293 7.0293 7.2554 7.2554 8.6461 8.6461 9.3620 9.3620 11.9051 11.9051 13.2214 13.2214 13.3215 13.3215 15.6751 15.6751 k = 0.0000 0.5000-0.0000 ( 1654 PWs) bands (ev): -31.2778 -31.2778 -12.2531 -12.2531 -10.8966 -10.8966 -10.6816 -10.6816 6.4011 6.4011 6.5248 6.5248 6.9831 6.9831 7.0295 7.0295 7.2556 7.2556 8.6729 8.6729 9.3338 9.3338 11.9046 11.9046 13.2196 13.2196 13.3196 13.3196 15.6749 15.6749 k = 0.0000 0.5000-0.0000 ( 1654 PWs) bands (ev): -31.2778 -31.2778 -12.2531 -12.2531 -10.8966 -10.8966 -10.6816 -10.6816 6.4011 6.4011 6.5248 6.5248 6.9831 6.9831 7.0295 7.0295 7.2556 7.2556 8.6729 8.6729 9.3338 9.3338 11.9046 11.9046 13.2196 13.2196 13.3196 13.3196 15.6749 15.6749 k = 0.0114 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2778 -31.2778 -12.2532 -12.2532 -10.8967 -10.8967 -10.6818 -10.6818 6.4012 6.4012 6.5246 6.5246 6.9827 6.9827 7.0287 7.0287 7.2547 7.2547 8.6764 8.6764 9.3333 9.3333 11.9065 11.9065 13.2202 13.2202 13.3202 13.3202 15.6737 15.6737 k = 0.0227 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2778 -31.2778 -12.2534 -12.2534 -10.8968 -10.8968 -10.6823 -10.6823 6.4016 6.4016 6.5243 6.5243 6.9816 6.9816 7.0265 7.0265 7.2524 7.2524 8.6870 8.6870 9.3321 9.3321 11.9123 11.9123 13.2219 13.2219 13.3221 13.3221 15.6702 15.6702 k = 0.0341 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2776 -31.2776 -12.2536 -12.2536 -10.8969 -10.8969 -10.6831 -10.6831 6.4022 6.4022 6.5237 6.5237 6.9800 6.9800 7.0231 7.0231 7.2487 7.2487 8.7044 8.7044 9.3300 9.3300 11.9219 11.9219 13.2240 13.2240 13.3258 13.3258 15.6643 15.6643 k = 0.0455 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2775 -31.2775 -12.2540 -12.2540 -10.8972 -10.8972 -10.6843 -10.6843 6.4029 6.4029 6.5229 6.5229 6.9777 6.9777 7.0185 7.0185 7.2437 7.2437 8.7286 8.7286 9.3271 9.3271 11.9353 11.9353 13.2258 13.2258 13.3323 13.3323 15.6563 15.6563 k = 0.0568 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2772 -31.2772 -12.2545 -12.2545 -10.8976 -10.8976 -10.6858 -10.6858 6.4036 6.4036 6.5218 6.5218 6.9749 6.9749 7.0130 7.0130 7.2374 7.2374 8.7592 8.7592 9.3235 9.3235 11.9525 11.9525 13.2260 13.2260 13.3424 13.3424 15.6460 15.6460 k = 0.0682 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2770 -31.2770 -12.2551 -12.2551 -10.8980 -10.8980 -10.6876 -10.6876 6.4042 6.4042 6.5203 6.5203 6.9718 6.9718 7.0067 7.0067 7.2300 7.2300 8.7960 8.7960 9.3192 9.3192 11.9732 11.9732 13.2241 13.2241 13.3568 13.3568 15.6337 15.6337 k = 0.0795 0.5000-0.0000 ( 1672 PWs) bands (ev): -31.2767 -31.2767 -12.2558 -12.2558 -10.8985 -10.8985 -10.6896 -10.6896 6.4045 6.4045 6.5184 6.5184 6.9684 6.9684 6.9999 6.9999 7.2216 7.2216 8.8387 8.8387 9.3145 9.3145 11.9975 11.9975 13.2196 13.2196 13.3757 13.3757 15.6195 15.6195 k = 0.0909 0.5000-0.0000 ( 1672 PWs) bands (ev): -31.2763 -31.2763 -12.2566 -12.2566 -10.8992 -10.8992 -10.6919 -10.6919 6.4045 6.4045 6.5159 6.5159 6.9652 6.9652 6.9927 6.9927 7.2124 7.2124 8.8870 8.8870 9.3093 9.3093 12.0253 12.0253 13.2124 13.2124 13.3991 13.3991 15.6034 15.6034 k = 0.1023 0.5000-0.0000 ( 1668 PWs) bands (ev): -31.2759 -31.2759 -12.2576 -12.2576 -10.8999 -10.8999 -10.6944 -10.6944 6.4039 6.4039 6.5126 6.5126 6.9623 6.9623 6.9854 6.9854 7.2027 7.2027 8.9404 8.9404 9.3039 9.3039 12.0563 12.0563 13.2028 13.2028 13.4265 13.4265 15.5857 15.5857 k = 0.1136 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2755 -31.2755 -12.2586 -12.2586 -10.9008 -10.9008 -10.6971 -10.6971 6.4027 6.4027 6.5084 6.5084 6.9600 6.9600 6.9779 6.9779 7.1924 7.1924 8.9986 8.9986 9.2984 9.2984 12.0905 12.0905 13.1908 13.1908 13.4578 13.4578 15.5664 15.5664 k = 0.1250 0.5000-0.0000 ( 1666 PWs) bands (ev): -31.2750 -31.2750 -12.2597 -12.2597 -10.9018 -10.9018 -10.6999 -10.6999 6.4008 6.4008 6.5031 6.5031 6.9583 6.9583 6.9710 6.9710 7.1818 7.1818 9.0611 9.0611 9.2933 9.2933 12.1276 12.1276 13.1766 13.1766 13.4927 13.4927 15.5457 15.5457 k = 0.1364 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2745 -31.2745 -12.2609 -12.2609 -10.9030 -10.9030 -10.7028 -10.7028 6.3982 6.3982 6.4964 6.4964 6.9555 6.9555 6.9662 6.9662 7.1712 7.1712 9.1268 9.1268 9.2893 9.2893 12.1675 12.1675 13.1602 13.1602 13.5307 13.5307 15.5239 15.5239 k = 0.1477 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2739 -31.2739 -12.2622 -12.2622 -10.9044 -10.9044 -10.7058 -10.7058 6.3948 6.3948 6.4883 6.4883 6.9495 6.9495 6.9658 6.9658 7.1609 7.1609 9.1926 9.1926 9.2897 9.2897 12.2099 12.2099 13.1417 13.1417 13.5718 13.5718 15.5009 15.5009 k = 0.1591 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2734 -31.2734 -12.2637 -12.2637 -10.9059 -10.9059 -10.7089 -10.7089 6.3908 6.3908 6.4786 6.4786 6.9417 6.9417 6.9684 6.9684 7.1513 7.1513 9.2414 9.2414 9.3114 9.3114 12.2546 12.2546 13.1211 13.1211 13.6156 13.6156 15.4772 15.4772 k = 0.1705 0.5000-0.0000 ( 1662 PWs) bands (ev): -31.2728 -31.2728 -12.2651 -12.2651 -10.9075 -10.9075 -10.7119 -10.7119 6.3861 6.3861 6.4676 6.4676 6.9332 6.9332 6.9724 6.9724 7.1430 7.1430 9.2533 9.2533 9.3741 9.3741 12.3013 12.3013 13.0983 13.0983 13.6621 13.6621 15.4527 15.4527 k = 0.1818 0.5000-0.0000 ( 1672 PWs) bands (ev): -31.2722 -31.2722 -12.2667 -12.2667 -10.9094 -10.9094 -10.7149 -10.7149 6.3807 6.3807 6.4549 6.4549 6.9241 6.9241 6.9768 6.9768 7.1365 7.1365 9.2529 9.2529 9.4531 9.4531 12.3497 12.3497 13.0735 13.0735 13.7108 13.7108 15.4277 15.4277 k = 0.1932 0.5000-0.0000 ( 1672 PWs) bands (ev): -31.2715 -31.2715 -12.2684 -12.2684 -10.9114 -10.9114 -10.7179 -10.7179 6.3749 6.3749 6.4411 6.4411 6.9149 6.9149 6.9805 6.9805 7.1331 7.1331 9.2505 9.2505 9.5382 9.5382 12.3994 12.3994 13.0465 13.0465 13.7618 13.7618 15.4023 15.4023 k = 0.2045 0.5000-0.0000 ( 1668 PWs) bands (ev): -31.2709 -31.2709 -12.2701 -12.2701 -10.9137 -10.9137 -10.7207 -10.7207 6.3685 6.3685 6.4262 6.4262 6.9054 6.9054 6.9823 6.9823 7.1337 7.1337 9.2480 9.2480 9.6273 9.6273 12.4502 12.4502 13.0174 13.0174 13.8146 13.8146 15.3767 15.3767 k = 0.2159 0.5000-0.0000 ( 1674 PWs) bands (ev): -31.2702 -31.2702 -12.2719 -12.2719 -10.9161 -10.9161 -10.7234 -10.7234 6.3616 6.3616 6.4102 6.4102 6.8956 6.8956 6.9814 6.9814 7.1389 7.1389 9.2461 9.2461 9.7198 9.7198 12.5016 12.5016 12.9863 12.9863 13.8692 13.8692 15.3510 15.3510 k = 0.2273 0.5000-0.0000 ( 1674 PWs) bands (ev): -31.2695 -31.2695 -12.2738 -12.2738 -10.9187 -10.9187 -10.7260 -10.7260 6.3544 6.3544 6.3937 6.3937 6.8857 6.8857 6.9775 6.9775 7.1487 7.1487 9.2451 9.2451 9.8151 9.8151 12.5532 12.5532 12.9532 12.9532 13.9252 13.9252 15.3254 15.3254 k = 0.2386 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2688 -31.2688 -12.2757 -12.2757 -10.9214 -10.9214 -10.7284 -10.7284 6.3470 6.3470 6.3767 6.3767 6.8757 6.8757 6.9710 6.9710 7.1627 7.1627 9.2452 9.2452 9.9131 9.9131 12.6045 12.6045 12.9182 12.9182 13.9825 13.9825 15.2999 15.2999 k = 0.2500 0.5000-0.0000 ( 1658 PWs) bands (ev): -31.2681 -31.2681 -12.2776 -12.2776 -10.9243 -10.9243 -10.7306 -10.7306 6.3393 6.3393 6.3594 6.3594 6.8657 6.8657 6.9627 6.9627 7.1800 7.1800 9.2465 9.2465 10.0136 10.0136 12.6549 12.6549 12.8814 12.8814 14.0408 14.0408 15.2749 15.2749 k = 0.2614 0.5000-0.0000 ( 1666 PWs) bands (ev): -31.2674 -31.2674 -12.2796 -12.2796 -10.9274 -10.9274 -10.7327 -10.7327 6.3313 6.3313 6.3419 6.3419 6.8555 6.8555 6.9528 6.9528 7.1996 7.1996 9.2492 9.2492 10.1162 10.1162 12.7039 12.7039 12.8428 12.8428 14.0999 14.0999 15.2501 15.2501 k = 0.2727 0.5000-0.0000 ( 1666 PWs) bands (ev): -31.2667 -31.2667 -12.2816 -12.2816 -10.9305 -10.9305 -10.7345 -10.7345 6.3231 6.3231 6.3247 6.3247 6.8453 6.8453 6.9421 6.9421 7.2209 7.2209 9.2533 9.2533 10.2208 10.2208 12.7508 12.7508 12.8028 12.8028 14.1594 14.1594 15.2260 15.2260 k = 0.2841 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2660 -31.2660 -12.2836 -12.2836 -10.9337 -10.9337 -10.7362 -10.7362 6.3072 6.3072 6.3152 6.3152 6.8350 6.8350 6.9309 6.9309 7.2433 7.2433 9.2588 9.2588 10.3271 10.3271 12.7605 12.7605 12.7960 12.7960 14.2190 14.2190 15.2024 15.2024 k = 0.2955 0.5000-0.0000 ( 1674 PWs) bands (ev): -31.2654 -31.2654 -12.2856 -12.2856 -10.9370 -10.9370 -10.7377 -10.7377 6.2903 6.2903 6.3070 6.3070 6.8249 6.8249 6.9196 6.9196 7.2663 7.2663 9.2659 9.2659 10.4349 10.4349 12.7180 12.7180 12.8369 12.8369 14.2787 14.2787 15.1796 15.1796 k = 0.3068 0.5000-0.0000 ( 1674 PWs) bands (ev): -31.2647 -31.2647 -12.2876 -12.2876 -10.9403 -10.9403 -10.7390 -10.7390 6.2738 6.2738 6.2990 6.2990 6.8150 6.8150 6.9083 6.9083 7.2895 7.2895 9.2745 9.2745 10.5439 10.5439 12.6743 12.6743 12.8742 12.8742 14.3379 14.3379 15.1577 15.1577 k = 0.3182 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2640 -31.2640 -12.2895 -12.2895 -10.9436 -10.9436 -10.7402 -10.7402 6.2579 6.2579 6.2910 6.2910 6.8052 6.8052 6.8972 6.8972 7.3126 7.3126 9.2846 9.2846 10.6541 10.6541 12.6298 12.6298 12.9068 12.9068 14.3964 14.3964 15.1366 15.1366 k = 0.3295 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2634 -31.2634 -12.2915 -12.2915 -10.9469 -10.9469 -10.7412 -10.7412 6.2425 6.2425 6.2832 6.2832 6.7956 6.7956 6.8865 6.8865 7.3352 7.3352 9.2961 9.2961 10.7649 10.7649 12.5850 12.5850 12.9342 12.9342 14.4539 14.4539 15.1165 15.1165 k = 0.3409 0.5000-0.0000 ( 1670 PWs) bands (ev): -31.2628 -31.2628 -12.2934 -12.2934 -10.9501 -10.9501 -10.7420 -10.7420 6.2279 6.2279 6.2757 6.2757 6.7863 6.7863 6.8762 6.8762 7.3572 7.3572 9.3088 9.3088 10.8763 10.8763 12.5400 12.5400 12.9556 12.9556 14.5100 14.5100 15.0974 15.0974 k = 0.3523 0.5000-0.0000 ( 1672 PWs) bands (ev): -31.2622 -31.2622 -12.2952 -12.2952 -10.9532 -10.9532 -10.7427 -10.7427 6.2139 6.2139 6.2684 6.2684 6.7774 6.7774 6.8663 6.8663 7.3783 7.3783 9.3227 9.3227 10.9879 10.9879 12.4953 12.4953 12.9705 12.9705 14.5645 14.5645 15.0794 15.0794 k = 0.3636 0.5000-0.0000 ( 1672 PWs) bands (ev): -31.2617 -31.2617 -12.2969 -12.2969 -10.9562 -10.9562 -10.7433 -10.7433 6.2009 6.2009 6.2614 6.2614 6.7688 6.7688 6.8571 6.8571 7.3984 7.3984 9.3375 9.3375 11.0993 11.0993 12.4513 12.4513 12.9785 12.9785 14.6169 14.6169 15.0626 15.0626 k = 0.3750 0.5000-0.0000 ( 1676 PWs) bands (ev): -31.2612 -31.2612 -12.2986 -12.2986 -10.9591 -10.9591 -10.7438 -10.7438 6.1886 6.1886 6.2548 6.2548 6.7607 6.7607 6.8484 6.8484 7.4171 7.4171 9.3530 9.3530 11.2102 11.2102 12.4083 12.4083 12.9791 12.9791 14.6668 14.6668 15.0469 15.0469 k = 0.3864 0.5000-0.0000 ( 1672 PWs) bands (ev): -31.2607 -31.2607 -12.3001 -12.3001 -10.9618 -10.9618 -10.7442 -10.7442 6.1773 6.1773 6.2486 6.2486 6.7531 6.7531 6.8405 6.8405 7.4347 7.4347 9.3689 9.3689 11.3203 11.3203 12.3668 12.3668 12.9720 12.9720 14.7140 14.7140 15.0325 15.0325 k = 0.3977 0.5000-0.0000 ( 1672 PWs) bands (ev): -31.2603 -31.2603 -12.3016 -12.3016 -10.9643 -10.9643 -10.7446 -10.7446 6.1670 6.1670 6.2429 6.2429 6.7461 6.7461 6.8332 6.8332 7.4507 7.4507 9.3848 9.3848 11.4290 11.4290 12.3273 12.3273 12.9574 12.9574 14.7581 14.7581 15.0194 15.0194 k = 0.4091 0.5000-0.0000 ( 1668 PWs) bands (ev): -31.2599 -31.2599 -12.3029 -12.3029 -10.9666 -10.9666 -10.7448 -10.7448 6.1577 6.1577 6.2377 6.2377 6.7397 6.7397 6.8266 6.8266 7.4652 7.4652 9.4005 9.4005 11.5357 11.5357 12.2903 12.2903 12.9352 12.9352 14.7986 14.7986 15.0075 15.0075 k = 0.4205 0.5000-0.0000 ( 1668 PWs) bands (ev): -31.2595 -31.2595 -12.3041 -12.3041 -10.9687 -10.9687 -10.7450 -10.7450 6.1494 6.1494 6.2330 6.2330 6.7339 6.7339 6.8207 6.8207 7.4782 7.4782 9.4156 9.4156 11.6399 11.6399 12.2562 12.2562 12.9059 12.9059 14.8354 14.8354 14.9970 14.9970 k = 0.4318 0.5000-0.0000 ( 1668 PWs) bands (ev): -31.2592 -31.2592 -12.3052 -12.3052 -10.9705 -10.9705 -10.7452 -10.7452 6.1422 6.1422 6.2288 6.2288 6.7288 6.7288 6.8156 6.8156 7.4894 7.4894 9.4297 9.4297 11.7406 11.7406 12.2254 12.2254 12.8702 12.8702 14.8680 14.8680 14.9879 14.9879 k = 0.4432 0.5000-0.0000 ( 1668 PWs) bands (ev): -31.2589 -31.2589 -12.3061 -12.3061 -10.9721 -10.9721 -10.7453 -10.7453 6.1360 6.1360 6.2253 6.2253 6.7244 6.7244 6.8112 6.8112 7.4990 7.4990 9.4423 9.4423 11.8365 11.8365 12.1986 12.1986 12.8292 12.8292 14.8961 14.8961 14.9802 14.9802 k = 0.4545 0.5000-0.0000 ( 1668 PWs) bands (ev): -31.2587 -31.2587 -12.3068 -12.3068 -10.9734 -10.9734 -10.7454 -10.7454 6.1309 6.1309 6.2224 6.2224 6.7208 6.7208 6.8077 6.8077 7.5068 7.5068 9.4533 9.4533 11.9258 11.9258 12.1760 12.1760 12.7847 12.7847 14.9194 14.9194 14.9738 14.9738 k = 0.4659 0.5000-0.0000 ( 1662 PWs) bands (ev): -31.2585 -31.2585 -12.3074 -12.3074 -10.9744 -10.9744 -10.7455 -10.7455 6.1270 6.1270 6.2201 6.2201 6.7180 6.7180 6.8049 6.8049 7.5130 7.5130 9.4622 9.4622 12.0057 12.0057 12.1581 12.1581 12.7395 12.7395 14.9378 14.9378 14.9690 14.9690 k = 0.4773 0.5000-0.0000 ( 1654 PWs) bands (ev): -31.2584 -31.2584 -12.3078 -12.3078 -10.9751 -10.9751 -10.7455 -10.7455 6.1243 6.1243 6.2184 6.2184 6.7160 6.7160 6.8030 6.8030 7.5173 7.5173 9.4688 9.4688 12.0714 12.0714 12.1455 12.1455 12.6983 12.6983 14.9507 14.9507 14.9658 14.9658 k = 0.4886 0.5000-0.0000 ( 1652 PWs) bands (ev): -31.2583 -31.2583 -12.3081 -12.3081 -10.9756 -10.9756 -10.7455 -10.7455 6.1226 6.1226 6.2174 6.2174 6.7148 6.7148 6.8018 6.8018 7.5200 7.5200 9.4728 9.4728 12.1144 12.1144 12.1399 12.1399 12.6679 12.6679 14.9576 14.9576 14.9649 14.9649 k = 0.5000 0.5000-0.0000 ( 1652 PWs) bands (ev): -31.2583 -31.2583 -12.3082 -12.3082 -10.9757 -10.9757 -10.7455 -10.7455 6.1220 6.1220 6.2171 6.2171 6.7144 6.7144 6.8014 6.8014 7.5209 7.5209 9.4742 9.4742 12.1254 12.1254 12.1426 12.1426 12.6564 12.6564 14.9590 14.9590 14.9654 14.9654 k = 0.5000 0.5000-0.0000 ( 1652 PWs) bands (ev): -31.2583 -31.2583 -12.3082 -12.3082 -10.9757 -10.9757 -10.7455 -10.7455 6.1220 6.1220 6.2171 6.2171 6.7144 6.7144 6.8014 6.8014 7.5209 7.5209 9.4742 9.4742 12.1254 12.1254 12.1426 12.1426 12.6564 12.6564 14.9590 14.9590 14.9654 14.9654 k = 0.4919 0.4919-0.0000 ( 1652 PWs) bands (ev): -31.2583 -31.2583 -12.3081 -12.3081 -10.9756 -10.9756 -10.7455 -10.7455 6.1226 6.1226 6.2175 6.2175 6.7148 6.7148 6.8018 6.8018 7.5200 7.5200 9.4728 9.4728 12.1158 12.1158 12.1383 12.1383 12.6680 12.6680 14.9577 14.9577 14.9648 14.9648 k = 0.4839 0.4839-0.0000 ( 1658 PWs) bands (ev): -31.2584 -31.2584 -12.3078 -12.3078 -10.9751 -10.9751 -10.7455 -10.7455 6.1242 6.1242 6.2184 6.2184 6.7160 6.7160 6.8030 6.8030 7.5173 7.5173 9.4686 9.4686 12.0792 12.0792 12.1368 12.1368 12.6992 12.6992 14.9517 14.9517 14.9647 14.9647 k = 0.4758 0.4758-0.0000 ( 1662 PWs) bands (ev): -31.2585 -31.2585 -12.3074 -12.3074 -10.9744 -10.9744 -10.7455 -10.7455 6.1270 6.1270 6.2201 6.2201 6.7180 6.7180 6.8049 6.8049 7.5129 7.5129 9.4616 9.4616 12.0231 12.0231 12.1384 12.1384 12.7426 12.7426 14.9404 14.9404 14.9663 14.9663 k = 0.4677 0.4677-0.0000 ( 1662 PWs) bands (ev): -31.2587 -31.2587 -12.3068 -12.3068 -10.9733 -10.9733 -10.7454 -10.7454 6.1310 6.1310 6.2224 6.2224 6.7209 6.7209 6.8077 6.8077 7.5068 7.5068 9.4514 9.4514 11.9561 11.9561 12.1411 12.1411 12.7916 12.7916 14.9242 14.9242 14.9690 14.9690 k = 0.4597 0.4597-0.0000 ( 1662 PWs) bands (ev): -31.2589 -31.2589 -12.3060 -12.3060 -10.9720 -10.9720 -10.7453 -10.7453 6.1360 6.1360 6.2253 6.2253 6.7245 6.7245 6.8114 6.8114 7.4990 7.4990 9.4378 9.4378 11.8833 11.8833 12.1448 12.1448 12.8419 12.8419 14.9038 14.9038 14.9726 14.9726 k = 0.4516 0.4516-0.0000 ( 1660 PWs) bands (ev): -31.2592 -31.2592 -12.3051 -12.3051 -10.9704 -10.9704 -10.7452 -10.7452 6.1420 6.1420 6.2289 6.2289 6.7288 6.7288 6.8158 6.8158 7.4896 7.4896 9.4205 9.4205 11.8081 11.8081 12.1492 12.1492 12.8906 12.8906 14.8795 14.8795 14.9770 14.9770 k = 0.4435 0.4435-0.0000 ( 1660 PWs) bands (ev): -31.2595 -31.2595 -12.3040 -12.3040 -10.9685 -10.9685 -10.7451 -10.7451 6.1490 6.1490 6.2330 6.2330 6.7338 6.7338 6.8209 6.8209 7.4785 7.4785 9.3991 9.3991 11.7329 11.7329 12.1544 12.1544 12.9362 12.9362 14.8515 14.8515 14.9823 14.9823 k = 0.4355 0.4355-0.0000 ( 1664 PWs) bands (ev): -31.2599 -31.2599 -12.3027 -12.3027 -10.9663 -10.9663 -10.7450 -10.7450 6.1568 6.1568 6.2376 6.2376 6.7395 6.7395 6.8268 6.8268 7.4660 7.4660 9.3730 9.3730 11.6598 11.6598 12.1601 12.1601 12.9776 12.9776 14.8203 14.8203 14.9884 14.9884 k = 0.4274 0.4274-0.0000 ( 1660 PWs) bands (ev): -31.2603 -31.2603 -12.3012 -12.3012 -10.9638 -10.9638 -10.7449 -10.7449 6.1655 6.1655 6.2427 6.2427 6.7457 6.7457 6.8335 6.8335 7.4520 7.4520 9.3419 9.3419 11.5901 11.5901 12.1664 12.1664 13.0141 13.0141 14.7865 14.7865 14.9954 14.9954 k = 0.4194 0.4194-0.0000 ( 1660 PWs) bands (ev): -31.2608 -31.2608 -12.2996 -12.2996 -10.9610 -10.9610 -10.7447 -10.7447 6.1749 6.1749 6.2483 6.2483 6.7525 6.7525 6.8409 6.8409 7.4366 7.4366 9.3052 9.3052 11.5253 11.5253 12.1732 12.1732 13.0455 13.0455 14.7503 14.7503 15.0031 15.0031 k = 0.4113 0.4113-0.0000 ( 1660 PWs) bands (ev): -31.2613 -31.2613 -12.2979 -12.2979 -10.9579 -10.9579 -10.7445 -10.7445 6.1850 6.1850 6.2543 6.2543 6.7597 6.7597 6.8488 6.8488 7.4200 7.4200 9.2626 9.2626 11.4666 11.4666 12.1803 12.1803 13.0714 13.0714 14.7122 14.7122 15.0117 15.0117 k = 0.4032 0.4032-0.0000 ( 1656 PWs) bands (ev): -31.2618 -31.2618 -12.2960 -12.2960 -10.9546 -10.9546 -10.7442 -10.7442 6.1957 6.1957 6.2606 6.2606 6.7674 6.7674 6.8574 6.8574 7.4022 7.4022 9.2136 9.2136 11.4148 11.4148 12.1878 12.1878 13.0921 13.0921 14.6728 14.6728 15.0210 15.0210 k = 0.3952 0.3952-0.0000 ( 1656 PWs) bands (ev): -31.2624 -31.2624 -12.2939 -12.2939 -10.9510 -10.9510 -10.7440 -10.7440 6.2067 6.2067 6.2673 6.2673 6.7754 6.7754 6.8665 6.8665 7.3832 7.3832 9.1582 9.1582 11.3708 11.3708 12.1954 12.1954 13.1077 13.1077 14.6324 14.6324 15.0312 15.0312 k = 0.3871 0.3871-0.0000 ( 1656 PWs) bands (ev): -31.2631 -31.2631 -12.2917 -12.2917 -10.9472 -10.9472 -10.7437 -10.7437 6.2180 6.2180 6.2742 6.2742 6.7837 6.7837 6.8761 6.8761 7.3634 7.3634 9.0963 9.0963 11.3351 11.3351 12.2031 12.2031 13.1183 13.1183 14.5915 14.5915 15.0422 15.0422 k = 0.3790 0.3790-0.0000 ( 1654 PWs) bands (ev): -31.2637 -31.2637 -12.2893 -12.2893 -10.9431 -10.9431 -10.7434 -10.7434 6.2294 6.2294 6.2814 6.2814 6.7923 6.7923 6.8859 6.8859 7.3427 7.3427 9.0280 9.0280 11.3080 11.3080 12.2108 12.2108 13.1244 13.1244 14.5506 14.5506 15.0540 15.0540 k = 0.3710 0.3710-0.0000 ( 1656 PWs) bands (ev): -31.2644 -31.2644 -12.2869 -12.2869 -10.9387 -10.9387 -10.7430 -10.7430 6.2408 6.2408 6.2889 6.2889 6.8010 6.8010 6.8959 6.8959 7.3214 7.3214 8.9537 8.9537 11.2896 11.2896 12.2185 12.2185 13.1265 13.1265 14.5101 14.5101 15.0666 15.0666 k = 0.3629 0.3629-0.0000 ( 1656 PWs) bands (ev): -31.2652 -31.2652 -12.2842 -12.2842 -10.9341 -10.9341 -10.7426 -10.7426 6.2520 6.2520 6.2967 6.2967 6.8099 6.8099 6.9060 6.9060 7.2996 7.2996 8.8737 8.8737 11.2798 11.2798 12.2260 12.2260 13.1248 13.1248 14.4704 14.4704 15.0799 15.0799 k = 0.3548 0.3548-0.0000 ( 1658 PWs) bands (ev): -31.2660 -31.2660 -12.2815 -12.2815 -10.9293 -10.9293 -10.7422 -10.7422 6.2626 6.2626 6.3048 6.3048 6.8189 6.8189 6.9159 6.9159 7.2774 7.2774 8.7887 8.7887 11.2785 11.2785 12.2334 12.2334 13.1201 13.1201 14.4319 14.4319 15.0941 15.0941 k = 0.3468 0.3468-0.0000 ( 1654 PWs) bands (ev): -31.2668 -31.2668 -12.2786 -12.2786 -10.9243 -10.9243 -10.7417 -10.7417 6.2725 6.2725 6.3132 6.3132 6.8280 6.8280 6.9254 6.9254 7.2553 7.2553 8.6992 8.6992 11.2852 11.2852 12.2404 12.2404 13.1129 13.1129 14.3949 14.3949 15.1090 15.1090 k = 0.3387 0.3387-0.0000 ( 1654 PWs) bands (ev): -31.2676 -31.2676 -12.2757 -12.2757 -10.9190 -10.9190 -10.7412 -10.7412 6.2815 6.2815 6.3221 6.3221 6.8370 6.8370 6.9341 6.9341 7.2335 7.2335 8.6061 8.6061 11.2995 11.2995 12.2472 12.2472 13.1036 13.1036 14.3599 14.3599 15.1247 15.1247 k = 0.3306 0.3306-0.0000 ( 1664 PWs) bands (ev): -31.2685 -31.2685 -12.2726 -12.2726 -10.9136 -10.9136 -10.7407 -10.7407 6.2893 6.2893 6.3312 6.3312 6.8460 6.8460 6.9417 6.9417 7.2123 7.2123 8.5100 8.5100 11.3208 11.3208 12.2535 12.2535 13.0930 13.0930 14.3271 14.3271 15.1412 15.1412 k = 0.3226 0.3226-0.0000 ( 1664 PWs) bands (ev): -31.2694 -31.2694 -12.2694 -12.2694 -10.9079 -10.9079 -10.7401 -10.7401 6.2961 6.2961 6.3405 6.3405 6.8550 6.8550 6.9476 6.9476 7.1923 7.1923 8.4117 8.4117 11.3488 11.3488 12.2594 12.2594 13.0816 13.0816 14.2970 14.2970 15.1584 15.1584 k = 0.3145 0.3145-0.0000 ( 1662 PWs) bands (ev): -31.2703 -31.2703 -12.2661 -12.2661 -10.9021 -10.9021 -10.7394 -10.7394 6.3018 6.3018 6.3497 6.3497 6.8638 6.8638 6.9512 6.9512 7.1740 7.1740 8.3118 8.3118 11.3829 11.3829 12.2649 12.2649 13.0701 13.0701 14.2696 14.2696 15.1764 15.1764 k = 0.3065 0.3065-0.0000 ( 1658 PWs) bands (ev): -31.2712 -31.2712 -12.2628 -12.2628 -10.8961 -10.8961 -10.7387 -10.7387 6.3063 6.3063 6.3587 6.3587 6.8726 6.8726 6.9517 6.9517 7.1583 7.1583 8.2112 8.2112 11.4223 11.4223 12.2699 12.2699 13.0592 13.0592 14.2455 14.2455 15.1950 15.1950 k = 0.2984 0.2984-0.0000 ( 1658 PWs) bands (ev): -31.2722 -31.2722 -12.2593 -12.2593 -10.8899 -10.8899 -10.7380 -10.7380 6.3099 6.3099 6.3671 6.3671 6.8812 6.8812 6.9483 6.9483 7.1457 7.1457 8.1105 8.1105 11.4665 11.4665 12.2744 12.2744 13.0495 13.0495 14.2247 14.2247 15.2144 15.2144 k = 0.2903 0.2903-0.0000 ( 1654 PWs) bands (ev): -31.2732 -31.2732 -12.2558 -12.2558 -10.8836 -10.8836 -10.7372 -10.7372 6.3124 6.3124 6.3748 6.3748 6.8896 6.8896 6.9406 6.9406 7.1367 7.1367 8.0104 8.0104 11.5148 11.5148 12.2785 12.2785 13.0417 13.0417 14.2076 14.2076 15.2344 15.2344 k = 0.2823 0.2823-0.0000 ( 1662 PWs) bands (ev): -31.2742 -31.2742 -12.2523 -12.2523 -10.8772 -10.8772 -10.7364 -10.7364 6.3139 6.3139 6.3813 6.3813 6.8978 6.8978 6.9282 6.9282 7.1310 7.1310 7.9118 7.9118 11.5664 11.5664 12.2820 12.2820 13.0367 13.0367 14.1942 14.1942 15.2551 15.2551 k = 0.2742 0.2742-0.0000 ( 1662 PWs) bands (ev): -31.2752 -31.2752 -12.2487 -12.2487 -10.8706 -10.8706 -10.7355 -10.7355 6.3144 6.3144 6.3867 6.3867 6.9055 6.9055 6.9120 6.9120 7.1283 7.1283 7.8154 7.8154 11.6206 11.6206 12.2850 12.2850 13.0352 13.0352 14.1849 14.1849 15.2764 15.2764 k = 0.2661 0.2661-0.0000 ( 1670 PWs) bands (ev): -31.2762 -31.2762 -12.2450 -12.2450 -10.8640 -10.8640 -10.7346 -10.7346 6.3138 6.3138 6.3906 6.3906 6.8913 6.8913 6.9136 6.9136 7.1274 7.1274 7.7223 7.7223 11.6763 11.6763 12.2876 12.2876 13.0383 13.0383 14.1798 14.1798 15.2982 15.2982 k = 0.2581 0.2581-0.0000 ( 1674 PWs) bands (ev): -31.2772 -31.2772 -12.2414 -12.2414 -10.8572 -10.8572 -10.7337 -10.7337 6.3121 6.3121 6.3930 6.3930 6.8678 6.8678 6.9209 6.9209 7.1276 7.1276 7.6335 7.6335 11.7327 11.7327 12.2897 12.2897 13.0468 13.0468 14.1791 14.1791 15.3206 15.3206 k = 0.2500 0.2500-0.0000 ( 1688 PWs) bands (ev): -31.2782 -31.2782 -12.2377 -12.2377 -10.8504 -10.8504 -10.7327 -10.7327 6.3092 6.3092 6.3935 6.3935 6.8409 6.8409 6.9280 6.9280 7.1277 7.1277 7.5504 7.5504 11.7887 11.7887 12.2914 12.2914 13.0617 13.0617 14.1828 14.1828 15.3435 15.3435 k = 0.2419 0.2419-0.0000 ( 1682 PWs) bands (ev): -31.2792 -31.2792 -12.2339 -12.2339 -10.8436 -10.8436 -10.7317 -10.7317 6.3052 6.3052 6.3923 6.3923 6.8107 6.8107 6.9348 6.9348 7.1269 7.1269 7.4747 7.4747 11.8432 11.8432 12.2928 12.2928 13.0842 13.0842 14.1911 14.1911 15.3668 15.3668 k = 0.2339 0.2339-0.0000 ( 1678 PWs) bands (ev): -31.2803 -31.2803 -12.2302 -12.2302 -10.8367 -10.8367 -10.7306 -10.7306 6.2997 6.2997 6.3890 6.3890 6.7769 6.7769 6.9414 6.9414 7.1242 7.1242 7.4082 7.4082 11.8952 11.8952 12.2937 12.2937 13.1151 13.1151 14.2041 14.2041 15.3906 15.3906 k = 0.2258 0.2258-0.0000 ( 1682 PWs) bands (ev): -31.2813 -31.2813 -12.2265 -12.2265 -10.8298 -10.8298 -10.7295 -10.7295 6.2927 6.2927 6.3837 6.3837 6.7390 6.7390 6.9476 6.9476 7.1181 7.1181 7.3528 7.3528 11.9435 11.9435 12.2943 12.2943 13.1553 13.1553 14.2217 14.2217 15.4147 15.4147 k = 0.2177 0.2177-0.0000 ( 1682 PWs) bands (ev): -31.2823 -31.2823 -12.2228 -12.2228 -10.8229 -10.8229 -10.7284 -10.7284 6.2837 6.2837 6.3764 6.3764 6.6972 6.6972 6.9534 6.9534 7.1080 7.1080 7.3103 7.3103 11.9876 11.9876 12.2947 12.2947 13.2055 13.2055 14.2442 14.2442 15.4392 15.4392 k = 0.2097 0.2097-0.0000 ( 1682 PWs) bands (ev): -31.2833 -31.2833 -12.2191 -12.2191 -10.8160 -10.8160 -10.7272 -10.7272 6.2722 6.2722 6.3671 6.3671 6.6519 6.6519 6.9588 6.9588 7.0938 7.0938 7.2806 7.2806 12.0269 12.0269 12.2947 12.2947 13.2658 13.2658 14.2714 14.2714 15.4638 15.4638 k = 0.2016 0.2016-0.0000 ( 1683 PWs) bands (ev): -31.2843 -31.2843 -12.2155 -12.2155 -10.8092 -10.8092 -10.7260 -10.7260 6.2575 6.2575 6.3561 6.3561 6.6044 6.6044 6.9637 6.9637 7.0772 7.0772 7.2617 7.2617 12.0613 12.0613 12.2946 12.2946 13.3363 13.3363 14.3035 14.3035 15.4887 15.4887 k = 0.1935 0.1935-0.0000 ( 1687 PWs) bands (ev): -31.2853 -31.2853 -12.2119 -12.2119 -10.8024 -10.8024 -10.7249 -10.7249 6.2384 6.2384 6.3438 6.3438 6.5566 6.5566 6.9683 6.9683 7.0605 7.0605 7.2506 7.2506 12.0910 12.0910 12.2942 12.2942 13.4164 13.4164 14.3402 14.3402 15.5137 15.5137 k = 0.1855 0.1855-0.0000 ( 1689 PWs) bands (ev): -31.2862 -31.2862 -12.2083 -12.2083 -10.7957 -10.7957 -10.7237 -10.7237 6.2134 6.2134 6.3307 6.3307 6.5107 6.5107 6.9722 6.9722 7.0454 7.0454 7.2444 7.2444 12.1163 12.1163 12.2937 12.2937 13.5056 13.5056 14.3817 14.3817 15.5386 15.5386 k = 0.1774 0.1774-0.0000 ( 1693 PWs) bands (ev): -31.2872 -31.2872 -12.2049 -12.2049 -10.7891 -10.7891 -10.7224 -10.7224 6.1814 6.1814 6.3175 6.3175 6.4688 6.4688 6.9757 6.9757 7.0327 7.0327 7.2410 7.2410 12.1377 12.1377 12.2930 12.2930 13.6031 13.6031 14.4279 14.4279 15.5635 15.5635 k = 0.1694 0.1694-0.0000 ( 1691 PWs) bands (ev): -31.2881 -31.2881 -12.2015 -12.2015 -10.7826 -10.7826 -10.7212 -10.7212 6.1422 6.1422 6.3047 6.3047 6.4319 6.4319 6.9786 6.9786 7.0226 7.0226 7.2395 7.2395 12.1559 12.1559 12.2923 12.2923 13.7078 13.7078 14.4787 14.4787 15.5884 15.5884 k = 0.1613 0.1613-0.0000 ( 1691 PWs) bands (ev): -31.2890 -31.2890 -12.1982 -12.1982 -10.7762 -10.7762 -10.7200 -10.7200 6.0967 6.0967 6.2924 6.2924 6.4001 6.4001 6.9809 6.9809 7.0150 7.0150 7.2390 7.2390 12.1713 12.1713 12.2915 12.2915 13.8189 13.8189 14.5339 14.5339 15.6130 15.6130 k = 0.1532 0.1532-0.0000 ( 1685 PWs) bands (ev): -31.2898 -31.2898 -12.1949 -12.1949 -10.7700 -10.7700 -10.7188 -10.7188 6.0466 6.0466 6.2807 6.2807 6.3728 6.3728 6.9826 6.9826 7.0097 7.0097 7.2391 7.2391 12.1845 12.1845 12.2906 12.2906 13.9355 13.9355 14.5935 14.5935 15.6373 15.6373 k = 0.1452 0.1452-0.0000 ( 1681 PWs) bands (ev): -31.2907 -31.2907 -12.1918 -12.1918 -10.7640 -10.7640 -10.7176 -10.7176 5.9937 5.9937 6.2697 6.2697 6.3488 6.3488 6.9836 6.9836 7.0061 7.0061 7.2397 7.2397 12.1960 12.1960 12.2898 12.2898 14.0565 14.0565 14.6574 14.6574 15.6612 15.6612 k = 0.1371 0.1371-0.0000 ( 1681 PWs) bands (ev): -31.2915 -31.2915 -12.1888 -12.1888 -10.7582 -10.7582 -10.7164 -10.7164 5.9397 5.9397 6.2590 6.2590 6.3273 6.3273 6.9841 6.9841 7.0039 7.0039 7.2404 7.2404 12.2061 12.2061 12.2889 12.2889 14.1811 14.1811 14.7252 14.7252 15.6847 15.6847 k = 0.1290 0.1290-0.0000 ( 1681 PWs) bands (ev): -31.2923 -31.2923 -12.1860 -12.1860 -10.7526 -10.7526 -10.7153 -10.7153 5.8858 5.8858 6.2488 6.2488 6.3077 6.3077 6.9843 6.9843 7.0026 7.0026 7.2413 7.2413 12.2150 12.2150 12.2880 12.2880 14.3085 14.3085 14.7969 14.7969 15.7075 15.7075 k = 0.1210 0.1210-0.0000 ( 1681 PWs) bands (ev): -31.2930 -31.2930 -12.1832 -12.1832 -10.7472 -10.7472 -10.7142 -10.7142 5.8330 5.8330 6.2390 6.2390 6.2897 6.2897 6.9845 6.9845 7.0018 7.0018 7.2423 7.2423 12.2230 12.2230 12.2871 12.2871 14.4378 14.4378 14.8723 14.8723 15.7297 15.7297 k = 0.1129 0.1129-0.0000 ( 1691 PWs) bands (ev): -31.2937 -31.2937 -12.1806 -12.1806 -10.7421 -10.7421 -10.7131 -10.7131 5.7820 5.7820 6.2296 6.2296 6.2730 6.2730 6.9848 6.9848 7.0012 7.0012 7.2432 7.2432 12.2303 12.2303 12.2863 12.2863 14.5682 14.5682 14.9511 14.9511 15.7510 15.7510 k = 0.1048 0.1048-0.0000 ( 1689 PWs) bands (ev): -31.2944 -31.2944 -12.1782 -12.1782 -10.7373 -10.7373 -10.7121 -10.7121 5.7332 5.7332 6.2206 6.2206 6.2575 6.2575 6.9852 6.9852 7.0008 7.0008 7.2442 7.2442 12.2370 12.2370 12.2855 12.2855 14.6987 14.6987 15.0329 15.0329 15.7716 15.7716 k = 0.0968 0.0968-0.0000 ( 1693 PWs) bands (ev): -31.2950 -31.2950 -12.1758 -12.1758 -10.7327 -10.7327 -10.7111 -10.7111 5.6871 5.6871 6.2120 6.2120 6.2432 6.2432 6.9857 6.9857 7.0002 7.0002 7.2452 7.2452 12.2431 12.2431 12.2848 12.2848 14.8285 14.8285 15.1175 15.1175 15.7912 15.7912 k = 0.0887 0.0887-0.0000 ( 1689 PWs) bands (ev): -31.2955 -31.2955 -12.1737 -12.1737 -10.7284 -10.7284 -10.7102 -10.7102 5.6440 5.6440 6.2040 6.2040 6.2299 6.2299 6.9865 6.9865 6.9996 6.9996 7.2463 7.2463 12.2488 12.2488 12.2841 12.2841 14.9566 14.9566 15.2044 15.2044 15.8098 15.8098 k = 0.0806 0.0806-0.0000 ( 1697 PWs) bands (ev): -31.2961 -31.2961 -12.1717 -12.1717 -10.7245 -10.7245 -10.7094 -10.7094 5.6040 5.6040 6.1965 6.1965 6.2176 6.2176 6.9872 6.9872 6.9988 6.9988 7.2472 7.2472 12.2540 12.2540 12.2835 12.2835 15.0819 15.0819 15.2930 15.2930 15.8272 15.8272 k = 0.0726 0.0726-0.0000 ( 1697 PWs) bands (ev): -31.2966 -31.2966 -12.1699 -12.1699 -10.7209 -10.7209 -10.7086 -10.7086 5.5674 5.5674 6.1895 6.1895 6.2066 6.2066 6.9881 6.9881 6.9980 6.9980 7.2481 7.2481 12.2588 12.2588 12.2829 12.2829 15.2033 15.2033 15.3825 15.3825 15.8436 15.8436 k = 0.0645 0.0645-0.0000 ( 1699 PWs) bands (ev): -31.2970 -31.2970 -12.1683 -12.1683 -10.7176 -10.7176 -10.7079 -10.7079 5.5343 5.5343 6.1832 6.1832 6.1965 6.1965 6.9889 6.9889 6.9972 6.9972 7.2489 7.2489 12.2632 12.2632 12.2824 12.2824 15.3196 15.3196 15.4718 15.4718 15.8589 15.8589 k = 0.0565 0.0565-0.0000 ( 1703 PWs) bands (ev): -31.2974 -31.2974 -12.1668 -12.1668 -10.7147 -10.7147 -10.7072 -10.7072 5.5048 5.5048 6.1775 6.1775 6.1877 6.1877 6.9897 6.9897 6.9964 6.9964 7.2497 7.2497 12.2671 12.2671 12.2820 12.2820 15.4297 15.4297 15.5593 15.5593 15.8732 15.8732 k = 0.0484 0.0484-0.0000 ( 1703 PWs) bands (ev): -31.2977 -31.2977 -12.1656 -12.1656 -10.7122 -10.7122 -10.7066 -10.7066 5.4791 5.4791 6.1725 6.1725 6.1799 6.1799 6.9905 6.9905 6.9955 6.9955 7.2504 7.2504 12.2706 12.2706 12.2816 12.2816 15.5323 15.5323 15.6428 15.6428 15.8867 15.8867 k = 0.0403 0.0403-0.0000 ( 1703 PWs) bands (ev): -31.2980 -31.2980 -12.1645 -12.1645 -10.7100 -10.7100 -10.7062 -10.7062 5.4573 5.4573 6.1682 6.1682 6.1734 6.1734 6.9911 6.9911 6.9948 6.9948 7.2510 7.2510 12.2736 12.2736 12.2813 12.2813 15.6260 15.6260 15.7191 15.7191 15.9001 15.9001 k = 0.0323 0.0323-0.0000 ( 1715 PWs) bands (ev): -31.2983 -31.2983 -12.1636 -12.1636 -10.7082 -10.7082 -10.7058 -10.7058 5.4393 5.4393 6.1645 6.1645 6.1679 6.1679 6.9916 6.9916 6.9941 6.9941 7.2514 7.2514 12.2760 12.2760 12.2810 12.2810 15.7089 15.7089 15.7839 15.7839 15.9149 15.9149 k = 0.0242 0.0242-0.0000 ( 1715 PWs) bands (ev): -31.2985 -31.2985 -12.1629 -12.1629 -10.7068 -10.7068 -10.7055 -10.7055 5.4253 5.4253 6.1618 6.1618 6.1637 6.1637 6.9921 6.9921 6.9935 6.9935 7.2518 7.2518 12.2779 12.2779 12.2808 12.2808 15.7786 15.7786 15.8319 15.8319 15.9332 15.9332 k = 0.0161 0.0161-0.0000 ( 1725 PWs) bands (ev): -31.2986 -31.2986 -12.1624 -12.1624 -10.7058 -10.7058 -10.7052 -10.7052 5.4152 5.4152 6.1597 6.1597 6.1606 6.1606 6.9924 6.9924 6.9930 6.9930 7.2521 7.2521 12.2793 12.2793 12.2806 12.2806 15.8321 15.8321 15.8604 15.8604 15.9548 15.9548 k = 0.0081 0.0081-0.0000 ( 1743 PWs) bands (ev): -31.2987 -31.2987 -12.1622 -12.1622 -10.7053 -10.7053 -10.7051 -10.7051 5.4092 5.4092 6.1585 6.1585 6.1587 6.1587 6.9925 6.9925 6.9927 6.9927 7.2521 7.2521 12.2800 12.2800 12.2804 12.2804 15.8659 15.8659 15.8738 15.8738 15.9726 15.9726 k = 0.0000 0.0000 0.0000 ( 1743 PWs) bands (ev): -31.2987 -31.2987 -12.1621 -12.1621 -10.7051 -10.7051 -10.7051 -10.7051 5.4072 5.4072 6.1580 6.1580 6.1580 6.1580 6.9926 6.9926 6.9926 6.9926 7.2522 7.2522 12.2803 12.2803 12.2803 12.2803 15.8776 15.8776 15.8776 15.8776 15.9795 15.9795 k = 0.0000 0.0000 0.0000 ( 1743 PWs) bands (ev): -31.2987 -31.2987 -12.1621 -12.1621 -10.7051 -10.7051 -10.7051 -10.7051 5.4072 5.4072 6.1580 6.1580 6.1580 6.1580 6.9926 6.9926 6.9926 6.9926 7.2522 7.2522 12.2803 12.2803 12.2803 12.2803 15.8776 15.8776 15.8776 15.8776 15.9795 15.9795 k = 0.0066 0.0066 0.0066 ( 1743 PWs) bands (ev): -31.2987 -31.2987 -12.1622 -12.1622 -10.7052 -10.7052 -10.7052 -10.7052 5.4092 5.4092 6.1585 6.1585 6.1586 6.1586 6.9925 6.9925 6.9927 6.9927 7.2521 7.2521 12.2802 12.2802 12.2802 12.2802 15.8659 15.8659 15.8738 15.8738 15.9726 15.9726 k = 0.0132 0.0132 0.0132 ( 1731 PWs) bands (ev): -31.2986 -31.2986 -12.1624 -12.1624 -10.7056 -10.7056 -10.7055 -10.7055 5.4152 5.4152 6.1600 6.1600 6.1602 6.1602 6.9923 6.9923 6.9930 6.9930 7.2520 7.2520 12.2798 12.2798 12.2800 12.2800 15.8306 15.8306 15.8627 15.8627 15.9538 15.9538 k = 0.0197 0.0197 0.0197 ( 1710 PWs) bands (ev): -31.2984 -31.2984 -12.1629 -12.1629 -10.7062 -10.7062 -10.7060 -10.7060 5.4252 5.4252 6.1625 6.1625 6.1630 6.1630 6.9921 6.9921 6.9935 6.9935 7.2519 7.2519 12.2793 12.2793 12.2795 12.2795 15.7725 15.7725 15.8445 15.8445 15.9261 15.9261 k = 0.0263 0.0263 0.0263 ( 1710 PWs) bands (ev): -31.2983 -31.2983 -12.1636 -12.1636 -10.7072 -10.7072 -10.7068 -10.7068 5.4392 5.4392 6.1658 6.1658 6.1667 6.1667 6.9916 6.9916 6.9941 6.9941 7.2515 7.2515 12.2784 12.2784 12.2788 12.2788 15.6947 15.6947 15.8193 15.8193 15.8912 15.8912 k = 0.0329 0.0329 0.0329 ( 1704 PWs) bands (ev): -31.2980 -31.2980 -12.1645 -12.1645 -10.7084 -10.7084 -10.7077 -10.7077 5.4572 5.4572 6.1701 6.1701 6.1714 6.1714 6.9910 6.9910 6.9948 6.9948 7.2510 7.2510 12.2774 12.2774 12.2781 12.2781 15.6015 15.6015 15.7878 15.7878 15.8499 15.8499 k = 0.0395 0.0395 0.0395 ( 1704 PWs) bands (ev): -31.2977 -31.2977 -12.1655 -12.1655 -10.7099 -10.7099 -10.7089 -10.7089 5.4790 5.4790 6.1752 6.1752 6.1772 6.1772 6.9902 6.9902 6.9956 6.9956 7.2503 7.2503 12.2762 12.2762 12.2771 12.2771 15.4968 15.4968 15.7503 15.7503 15.8028 15.8028 k = 0.0461 0.0461 0.0461 ( 1704 PWs) bands (ev): -31.2974 -31.2974 -12.1668 -12.1668 -10.7116 -10.7116 -10.7103 -10.7103 5.5046 5.5046 6.1812 6.1812 6.1839 6.1839 6.9893 6.9893 6.9965 6.9965 7.2496 7.2496 12.2749 12.2749 12.2762 12.2762 15.3839 15.3839 15.7073 15.7073 15.7505 15.7505 k = 0.0526 0.0526 0.0526 ( 1704 PWs) bands (ev): -31.2970 -31.2970 -12.1683 -12.1683 -10.7136 -10.7136 -10.7119 -10.7119 5.5340 5.5340 6.1881 6.1881 6.1915 6.1915 6.9882 6.9882 6.9974 6.9974 7.2488 7.2488 12.2735 12.2735 12.2753 12.2753 15.2654 15.2654 15.6595 15.6595 15.6935 15.6935 k = 0.0592 0.0592 0.0592 ( 1692 PWs) bands (ev): -31.2966 -31.2966 -12.1699 -12.1699 -10.7158 -10.7158 -10.7137 -10.7137 5.5670 5.5670 6.1958 6.1958 6.2002 6.2002 6.9872 6.9872 6.9985 6.9985 7.2481 7.2481 12.2723 12.2723 12.2746 12.2746 15.1434 15.1434 15.6072 15.6072 15.6325 15.6325 k = 0.0658 0.0658 0.0658 ( 1692 PWs) bands (ev): -31.2961 -31.2961 -12.1717 -12.1717 -10.7183 -10.7183 -10.7157 -10.7157 5.6035 5.6035 6.2042 6.2042 6.2098 6.2098 6.9859 6.9859 6.9994 6.9994 7.2472 7.2472 12.2712 12.2712 12.2740 12.2740 15.0193 15.0193 15.5510 15.5510 15.5680 15.5680 k = 0.0724 0.0724 0.0724 ( 1680 PWs) bands (ev): -31.2955 -31.2955 -12.1736 -12.1736 -10.7209 -10.7209 -10.7179 -10.7179 5.6434 5.6434 6.2134 6.2134 6.2204 6.2204 6.9846 6.9846 7.0003 7.0003 7.2462 7.2462 12.2703 12.2703 12.2738 12.2738 14.8947 14.8947 15.4913 15.4913 15.5005 15.5005 k = 0.0789 0.0789 0.0789 ( 1686 PWs) bands (ev): -31.2949 -31.2949 -12.1758 -12.1758 -10.7238 -10.7238 -10.7203 -10.7203 5.6866 5.6866 6.2233 6.2233 6.2317 6.2317 6.9831 6.9831 7.0010 7.0010 7.2451 7.2451 12.2697 12.2697 12.2738 12.2738 14.7706 14.7706 15.4284 15.4284 15.4304 15.4304 k = 0.0855 0.0855 0.0855 ( 1686 PWs) bands (ev): -31.2943 -31.2943 -12.1781 -12.1781 -10.7269 -10.7269 -10.7229 -10.7229 5.7328 5.7328 6.2337 6.2337 6.2438 6.2438 6.9816 6.9816 7.0017 7.0017 7.2441 7.2441 12.2694 12.2694 12.2744 12.2744 14.6479 14.6479 15.3581 15.3581 15.3628 15.3628 k = 0.0921 0.0921 0.0921 ( 1686 PWs) bands (ev): -31.2936 -31.2936 -12.1806 -12.1806 -10.7302 -10.7302 -10.7257 -10.7257 5.7820 5.7820 6.2448 6.2448 6.2569 6.2569 6.9801 6.9801 7.0022 7.0022 7.2431 7.2431 12.2696 12.2696 12.2754 12.2754 14.5276 14.5276 15.2839 15.2839 15.2948 15.2948 k = 0.0987 0.0987 0.0987 ( 1686 PWs) bands (ev): -31.2929 -31.2929 -12.1832 -12.1832 -10.7337 -10.7337 -10.7286 -10.7286 5.8337 5.8337 6.2563 6.2563 6.2708 6.2708 6.9785 6.9785 7.0027 7.0027 7.2420 7.2420 12.2702 12.2702 12.2771 12.2771 14.4102 14.4102 15.2083 15.2083 15.2248 15.2248 k = 0.1053 0.1053 0.1053 ( 1686 PWs) bands (ev): -31.2922 -31.2922 -12.1859 -12.1859 -10.7373 -10.7373 -10.7318 -10.7318 5.8877 5.8877 6.2683 6.2683 6.2857 6.2857 6.9768 6.9768 7.0030 7.0030 7.2410 7.2410 12.2714 12.2714 12.2794 12.2794 14.2966 14.2966 15.1314 15.1314 15.1530 15.1530 k = 0.1118 0.1118 0.1118 ( 1683 PWs) bands (ev): -31.2914 -31.2914 -12.1888 -12.1888 -10.7411 -10.7411 -10.7350 -10.7350 5.9436 5.9436 6.2808 6.2808 6.3016 6.3016 6.9753 6.9753 7.0032 7.0032 7.2401 7.2401 12.2731 12.2731 12.2823 12.2823 14.1871 14.1871 15.0536 15.0536 15.0798 15.0798 k = 0.1184 0.1184 0.1184 ( 1689 PWs) bands (ev): -31.2905 -31.2905 -12.1918 -12.1918 -10.7450 -10.7450 -10.7385 -10.7385 6.0008 6.0008 6.2935 6.2935 6.3187 6.3187 6.9737 6.9737 7.0032 7.0032 7.2394 7.2394 12.2754 12.2754 12.2860 12.2860 14.0825 14.0825 14.9752 14.9752 15.0055 15.0055 k = 0.1250 0.1250 0.1250 ( 1683 PWs) bands (ev): -31.2896 -31.2896 -12.1949 -12.1949 -10.7491 -10.7491 -10.7420 -10.7420 6.0587 6.0587 6.3065 6.3065 6.3375 6.3375 6.9723 6.9723 7.0033 7.0033 7.2388 7.2388 12.2782 12.2782 12.2904 12.2904 13.9831 13.9831 14.8964 14.8964 14.9305 14.9305 k = 0.1316 0.1316 0.1316 ( 1686 PWs) bands (ev): -31.2887 -31.2887 -12.1982 -12.1982 -10.7533 -10.7533 -10.7458 -10.7458 6.1160 6.1160 6.3197 6.3197 6.3586 6.3586 6.9710 6.9710 7.0034 7.0034 7.2387 7.2387 12.2816 12.2816 12.2954 12.2954 13.8894 13.8894 14.8177 14.8177 14.8549 14.8549 k = 0.1382 0.1382 0.1382 ( 1686 PWs) bands (ev): -31.2878 -31.2878 -12.2015 -12.2015 -10.7575 -10.7575 -10.7496 -10.7496 6.1712 6.1712 6.3329 6.3329 6.3830 6.3830 6.9698 6.9698 7.0035 7.0035 7.2391 7.2391 12.2854 12.2854 12.3011 12.3011 13.8017 13.8017 14.7392 14.7392 14.7793 14.7793 k = 0.1447 0.1447 0.1447 ( 1683 PWs) bands (ev): -31.2868 -31.2868 -12.2049 -12.2049 -10.7619 -10.7619 -10.7536 -10.7536 6.2220 6.2220 6.3462 6.3462 6.4126 6.4126 6.9690 6.9690 7.0038 7.0038 7.2404 7.2404 12.2895 12.2895 12.3074 12.3074 13.7205 13.7205 14.6614 14.6614 14.7039 14.7039 k = 0.1513 0.1513 0.1513 ( 1683 PWs) bands (ev): -31.2858 -31.2858 -12.2084 -12.2084 -10.7664 -10.7664 -10.7578 -10.7578 6.2660 6.2660 6.3593 6.3593 6.4489 6.4489 6.9683 6.9683 7.0042 7.0042 7.2428 7.2428 12.2939 12.2939 12.3140 12.3140 13.6460 13.6460 14.5846 14.5846 14.6291 14.6291 k = 0.1579 0.1579 0.1579 ( 1683 PWs) bands (ev): -31.2847 -31.2847 -12.2120 -12.2120 -10.7709 -10.7709 -10.7620 -10.7620 6.3018 6.3018 6.3724 6.3724 6.4926 6.4926 6.9680 6.9680 7.0050 7.0050 7.2470 7.2470 12.2982 12.2982 12.3209 12.3209 13.5786 13.5786 14.5093 14.5093 14.5553 14.5553 k = 0.1645 0.1645 0.1645 ( 1683 PWs) bands (ev): -31.2837 -31.2837 -12.2157 -12.2157 -10.7755 -10.7755 -10.7663 -10.7663 6.3300 6.3300 6.3851 6.3851 6.5420 6.5420 6.9681 6.9681 7.0060 7.0060 7.2538 7.2538 12.3022 12.3022 12.3278 12.3278 13.5184 13.5184 14.4360 14.4360 14.4830 14.4830 k = 0.1711 0.1711 0.1711 ( 1683 PWs) bands (ev): -31.2826 -31.2826 -12.2195 -12.2195 -10.7802 -10.7802 -10.7708 -10.7708 6.3524 6.3524 6.3976 6.3976 6.5942 6.5942 6.9687 6.9687 7.0073 7.0073 7.2641 7.2641 12.3056 12.3056 12.3344 12.3344 13.4658 13.4658 14.3651 14.3651 14.4127 14.4127 k = 0.1776 0.1776 0.1776 ( 1671 PWs) bands (ev): -31.2815 -31.2815 -12.2232 -12.2232 -10.7849 -10.7849 -10.7753 -10.7753 6.3707 6.3707 6.4097 6.4097 6.6463 6.6463 6.9699 6.9699 7.0088 7.0088 7.2794 7.2794 12.3080 12.3080 12.3403 12.3403 13.4209 13.4209 14.2972 14.2972 14.3450 14.3450 k = 0.1842 0.1842 0.1842 ( 1671 PWs) bands (ev): -31.2803 -31.2803 -12.2271 -12.2271 -10.7896 -10.7896 -10.7799 -10.7799 6.3856 6.3856 6.4212 6.4212 6.6958 6.6958 6.9716 6.9716 7.0101 7.0101 7.3008 7.3008 12.3090 12.3090 12.3451 12.3451 13.3838 13.3838 14.2329 14.2329 14.2805 14.2805 k = 0.1908 0.1908 0.1908 ( 1668 PWs) bands (ev): -31.2792 -31.2792 -12.2310 -12.2310 -10.7944 -10.7944 -10.7846 -10.7846 6.3981 6.3981 6.4322 6.4322 6.7408 6.7408 6.9739 6.9739 7.0110 7.0110 7.3299 7.3299 12.3080 12.3080 12.3483 12.3483 13.3546 13.3546 14.1730 14.1730 14.2198 14.2198 k = 0.1974 0.1974 0.1974 ( 1674 PWs) bands (ev): -31.2780 -31.2780 -12.2349 -12.2349 -10.7991 -10.7991 -10.7893 -10.7893 6.4084 6.4084 6.4425 6.4425 6.7802 6.7802 6.9770 6.9770 7.0112 7.0112 7.3676 7.3676 12.3044 12.3044 12.3492 12.3492 13.3334 13.3334 14.1181 14.1181 14.1638 14.1638 k = 0.2039 0.2039 0.2039 ( 1674 PWs) bands (ev): -31.2768 -31.2768 -12.2389 -12.2389 -10.8039 -10.8039 -10.7941 -10.7941 6.4167 6.4167 6.4520 6.4520 6.8138 6.8138 6.9808 6.9808 7.0105 7.0105 7.4142 7.4142 12.2977 12.2977 12.3473 12.3473 13.3203 13.3203 14.0690 14.0690 14.1132 14.1132 k = 0.2105 0.2105 0.2105 ( 1677 PWs) bands (ev): -31.2756 -31.2756 -12.2429 -12.2429 -10.8087 -10.8087 -10.7990 -10.7990 6.4232 6.4232 6.4608 6.4608 6.8417 6.8417 6.9855 6.9855 7.0087 7.0087 7.4691 7.4691 12.2872 12.2872 12.3418 12.3418 13.3153 13.3153 14.0265 14.0265 14.0689 14.0689 k = 0.2171 0.2171 0.2171 ( 1677 PWs) bands (ev): -31.2744 -31.2744 -12.2469 -12.2469 -10.8135 -10.8135 -10.8039 -10.8039 6.4280 6.4280 6.4688 6.4688 6.8649 6.8649 6.9910 6.9910 7.0062 7.0062 7.5313 7.5313 12.2722 12.2722 12.3322 12.3322 13.3184 13.3184 13.9912 13.9912 14.0315 14.0315 k = 0.2237 0.2237 0.2237 ( 1671 PWs) bands (ev): -31.2732 -31.2732 -12.2509 -12.2509 -10.8182 -10.8182 -10.8088 -10.8088 6.4312 6.4312 6.4761 6.4761 6.8840 6.8840 6.9975 6.9975 7.0035 7.0035 7.5994 7.5994 12.2524 12.2524 12.3176 12.3176 13.3294 13.3294 13.9639 13.9639 14.0020 14.0020 k = 0.2303 0.2303 0.2303 ( 1677 PWs) bands (ev): -31.2720 -31.2720 -12.2549 -12.2549 -10.8230 -10.8230 -10.8137 -10.8137 6.4327 6.4327 6.4824 6.4824 6.8992 6.8992 7.0012 7.0012 7.0049 7.0049 7.6721 7.6721 12.2273 12.2273 12.2978 12.2978 13.3484 13.3484 13.9449 13.9449 13.9807 13.9807 k = 0.2368 0.2368 0.2368 ( 1671 PWs) bands (ev): -31.2707 -31.2707 -12.2589 -12.2589 -10.8277 -10.8277 -10.8187 -10.8187 6.4330 6.4330 6.4879 6.4879 6.9107 6.9107 7.0004 7.0004 7.0132 7.0132 7.7484 7.7484 12.1967 12.1967 12.2723 12.2723 13.3751 13.3751 13.9346 13.9346 13.9683 13.9683 k = 0.2434 0.2434 0.2434 ( 1671 PWs) bands (ev): -31.2695 -31.2695 -12.2629 -12.2629 -10.8324 -10.8324 -10.8236 -10.8236 6.4319 6.4319 6.4925 6.4925 6.9179 6.9179 7.0025 7.0025 7.0224 7.0224 7.8273 7.8273 12.1605 12.1605 12.2409 12.2409 13.4095 13.4095 13.9331 13.9331 13.9648 13.9648 k = 0.2500 0.2500 0.2500 ( 1677 PWs) bands (ev): -31.2683 -31.2683 -12.2670 -12.2670 -10.8370 -10.8370 -10.8286 -10.8286 6.4296 6.4296 6.4963 6.4963 6.9204 6.9204 7.0083 7.0083 7.0325 7.0325 7.9081 7.9081 12.1190 12.1190 12.2038 12.2038 13.4514 13.4514 13.9402 13.9402 13.9704 13.9704 k = 0.2566 0.2566 0.2566 ( 1670 PWs) bands (ev): -31.2670 -31.2670 -12.2709 -12.2709 -10.8416 -10.8416 -10.8335 -10.8335 6.4265 6.4265 6.4995 6.4995 6.9191 6.9191 7.0177 7.0177 7.0435 7.0435 7.9902 7.9902 12.0724 12.0724 12.1612 12.1612 13.5006 13.5006 13.9559 13.9559 13.9847 13.9847 k = 0.2632 0.2632 0.2632 ( 1670 PWs) bands (ev): -31.2658 -31.2658 -12.2749 -12.2749 -10.8462 -10.8462 -10.8384 -10.8384 6.4226 6.4226 6.5019 6.5019 6.9148 6.9148 7.0298 7.0298 7.0553 7.0553 8.0732 8.0732 12.0212 12.0212 12.1135 12.1135 13.5569 13.5569 13.9796 13.9796 14.0076 14.0076 k = 0.2697 0.2697 0.2697 ( 1676 PWs) bands (ev): -31.2646 -31.2646 -12.2788 -12.2788 -10.8507 -10.8507 -10.8433 -10.8433 6.4180 6.4180 6.5036 6.5036 6.9088 6.9088 7.0438 7.0438 7.0679 7.0679 8.1565 8.1565 11.9658 11.9658 12.0612 12.0612 13.6199 13.6199 14.0110 14.0110 14.0384 14.0384 k = 0.2763 0.2763 0.2763 ( 1670 PWs) bands (ev): -31.2634 -31.2634 -12.2827 -12.2827 -10.8552 -10.8552 -10.8482 -10.8482 6.4131 6.4131 6.5049 6.5049 6.9018 6.9018 7.0592 7.0592 7.0812 7.0812 8.2401 8.2401 11.9069 11.9069 12.0049 12.0049 13.6896 13.6896 14.0495 14.0495 14.0767 14.0767 k = 0.2829 0.2829 0.2829 ( 1676 PWs) bands (ev): -31.2622 -31.2622 -12.2866 -12.2866 -10.8596 -10.8596 -10.8530 -10.8530 6.4081 6.4081 6.5055 6.5055 6.8943 6.8943 7.0754 7.0754 7.0952 7.0952 8.3235 8.3235 11.8449 11.8449 11.9451 11.9451 13.7656 13.7656 14.0946 14.0946 14.1219 14.1219 k = 0.2895 0.2895 0.2895 ( 1676 PWs) bands (ev): -31.2610 -31.2610 -12.2904 -12.2904 -10.8640 -10.8640 -10.8578 -10.8578 6.4030 6.4030 6.5056 6.5056 6.8866 6.8866 7.0923 7.0923 7.1098 7.1098 8.4066 8.4066 11.7805 11.7805 11.8825 11.8825 13.8475 13.8475 14.1458 14.1458 14.1735 14.1735 k = 0.2961 0.2961 0.2961 ( 1676 PWs) bands (ev): -31.2598 -31.2598 -12.2942 -12.2942 -10.8682 -10.8682 -10.8625 -10.8625 6.3981 6.3981 6.5054 6.5054 6.8790 6.8790 7.1098 7.1098 7.1250 7.1250 8.4893 8.4893 11.7141 11.7141 11.8176 11.8176 13.9350 13.9350 14.2028 14.2028 14.2309 14.2309 k = 0.3026 0.3026 0.3026 ( 1673 PWs) bands (ev): -31.2586 -31.2586 -12.2979 -12.2979 -10.8725 -10.8725 -10.8671 -10.8671 6.3935 6.3935 6.5049 6.5049 6.8716 6.8716 7.1277 7.1277 7.1408 7.1408 8.5713 8.5713 11.6462 11.6462 11.7508 11.7508 14.0278 14.0278 14.2651 14.2651 14.2936 14.2936 k = 0.3092 0.3092 0.3092 ( 1679 PWs) bands (ev): -31.2575 -31.2575 -12.3015 -12.3015 -10.8766 -10.8766 -10.8717 -10.8717 6.3894 6.3894 6.5040 6.5040 6.8643 6.8643 7.1459 7.1459 7.1570 7.1570 8.6527 8.6527 11.5771 11.5771 11.6828 11.6828 14.1253 14.1253 14.3323 14.3323 14.3613 14.3613 k = 0.3158 0.3158 0.3158 ( 1679 PWs) bands (ev): -31.2563 -31.2563 -12.3051 -12.3051 -10.8807 -10.8807 -10.8761 -10.8761 6.3858 6.3858 6.5030 6.5030 6.8575 6.8575 7.1643 7.1643 7.1736 7.1736 8.7332 8.7332 11.5075 11.5075 11.6138 11.6138 14.2271 14.2271 14.4041 14.4041 14.4334 14.4334 k = 0.3224 0.3224 0.3224 ( 1685 PWs) bands (ev): -31.2552 -31.2552 -12.3087 -12.3087 -10.8847 -10.8847 -10.8805 -10.8805 6.3829 6.3829 6.5017 6.5017 6.8511 6.8511 7.1830 7.1830 7.1906 7.1906 8.8129 8.8129 11.4374 11.4374 11.5443 11.5443 14.3324 14.3324 14.4806 14.4806 14.5096 14.5096 k = 0.3289 0.3289 0.3289 ( 1673 PWs) bands (ev): -31.2541 -31.2541 -12.3121 -12.3121 -10.8886 -10.8886 -10.8848 -10.8848 6.3808 6.3808 6.5005 6.5005 6.8452 6.8452 7.2019 7.2019 7.2080 7.2080 8.8916 8.8916 11.3674 11.3674 11.4746 11.4746 14.4404 14.4404 14.5616 14.5616 14.5896 14.5896 k = 0.3355 0.3355 0.3355 ( 1673 PWs) bands (ev): -31.2531 -31.2531 -12.3155 -12.3155 -10.8924 -10.8924 -10.8890 -10.8890 6.3794 6.3794 6.4990 6.4990 6.8397 6.8397 7.2209 7.2209 7.2256 7.2256 8.9693 8.9693 11.2977 11.2977 11.4051 11.4051 14.5496 14.5496 14.6475 14.6475 14.6731 14.6731 k = 0.3421 0.3421 0.3421 ( 1685 PWs) bands (ev): -31.2520 -31.2520 -12.3188 -12.3188 -10.8961 -10.8961 -10.8931 -10.8931 6.3788 6.3788 6.4975 6.4975 6.8346 6.8346 7.2398 7.2398 7.2433 7.2433 9.0459 9.0459 11.2284 11.2284 11.3359 11.3359 14.6582 14.6582 14.7389 14.7389 14.7598 14.7598 k = 0.3487 0.3487 0.3487 ( 1676 PWs) bands (ev): -31.2510 -31.2510 -12.3220 -12.3220 -10.8998 -10.8998 -10.8970 -10.8970 6.3792 6.3792 6.4960 6.4960 6.8301 6.8301 7.2589 7.2589 7.2614 7.2614 9.1215 9.1215 11.1600 11.1600 11.2674 11.2674 14.7640 14.7640 14.8363 14.8363 14.8494 14.8494 k = 0.3553 0.3553 0.3553 ( 1676 PWs) bands (ev): -31.2500 -31.2500 -12.3251 -12.3251 -10.9033 -10.9033 -10.9009 -10.9009 6.3805 6.3805 6.4945 6.4945 6.8261 6.8261 7.2779 7.2779 7.2795 7.2795 9.1959 9.1959 11.0926 11.0926 11.1998 11.1998 14.8661 14.8661 14.9383 14.9383 14.9417 14.9417 k = 0.3618 0.3618 0.3618 ( 1676 PWs) bands (ev): -31.2491 -31.2491 -12.3281 -12.3281 -10.9067 -10.9067 -10.9046 -10.9046 6.3826 6.3826 6.4929 6.4929 6.8226 6.8226 7.2968 7.2968 7.2976 7.2976 9.2692 9.2692 11.0265 11.0265 11.1334 11.1334 14.9655 14.9655 15.0366 15.0366 15.0403 15.0403 k = 0.3684 0.3684 0.3684 ( 1676 PWs) bands (ev): -31.2482 -31.2482 -12.3310 -12.3310 -10.9100 -10.9100 -10.9082 -10.9082 6.3855 6.3855 6.4915 6.4915 6.8196 6.8196 7.3156 7.3156 7.3158 7.3158 9.3412 9.3412 10.9618 10.9618 11.0682 11.0682 15.0629 15.0629 15.1336 15.1336 15.1353 15.1353 k = 0.3750 0.3750 0.3750 ( 1679 PWs) bands (ev): -31.2473 -31.2473 -12.3338 -12.3338 -10.9132 -10.9132 -10.9116 -10.9116 6.3892 6.3892 6.4900 6.4900 6.8170 6.8170 7.3339 7.3339 7.3342 7.3342 9.4119 9.4119 10.8987 10.8987 11.0047 11.0047 15.1556 15.1556 15.2163 15.2163 15.2328 15.2328 k = 0.3816 0.3816 0.3816 ( 1679 PWs) bands (ev): -31.2464 -31.2464 -12.3365 -12.3365 -10.9163 -10.9163 -10.9149 -10.9149 6.3936 6.3936 6.4886 6.4886 6.8150 6.8150 7.3519 7.3519 7.3525 7.3525 9.4813 9.4813 10.8375 10.8375 10.9428 10.9428 15.2206 15.2206 15.2915 15.2915 15.3338 15.3338 k = 0.3882 0.3882 0.3882 ( 1673 PWs) bands (ev): -31.2456 -31.2456 -12.3390 -12.3390 -10.9192 -10.9192 -10.9181 -10.9181 6.3986 6.3986 6.4874 6.4874 6.8134 6.8134 7.3697 7.3697 7.3707 7.3707 9.5492 9.5492 10.7783 10.7783 10.8830 10.8830 15.2217 15.2217 15.3842 15.3842 15.4365 15.4365 k = 0.3947 0.3947 0.3947 ( 1667 PWs) bands (ev): -31.2448 -31.2448 -12.3415 -12.3415 -10.9220 -10.9220 -10.9211 -10.9211 6.4042 6.4042 6.4862 6.4862 6.8123 6.8123 7.3872 7.3872 7.3884 7.3884 9.6156 9.6156 10.7214 10.7214 10.8252 10.8252 15.1685 15.1685 15.4853 15.4853 15.5407 15.5407 k = 0.4013 0.4013 0.4013 ( 1661 PWs) bands (ev): -31.2441 -31.2441 -12.3438 -12.3438 -10.9247 -10.9247 -10.9239 -10.9239 6.4103 6.4103 6.4851 6.4851 6.8116 6.8116 7.4044 7.4044 7.4057 7.4057 9.6804 9.6804 10.6669 10.6669 10.7698 10.7698 15.0797 15.0797 15.5893 15.5893 15.6462 15.6462 k = 0.4079 0.4079 0.4079 ( 1661 PWs) bands (ev): -31.2434 -31.2434 -12.3460 -12.3460 -10.9272 -10.9272 -10.9266 -10.9266 6.4165 6.4165 6.4840 6.4840 6.8113 6.8113 7.4211 7.4211 7.4225 7.4225 9.7432 9.7432 10.6150 10.6150 10.7168 10.7168 14.9716 14.9716 15.6952 15.6952 15.7527 15.7527 k = 0.4145 0.4145 0.4145 ( 1667 PWs) bands (ev): -31.2428 -31.2428 -12.3481 -12.3481 -10.9296 -10.9296 -10.9291 -10.9291 6.4229 6.4229 6.4830 6.4830 6.8112 6.8112 7.4373 7.4373 7.4387 7.4387 9.8040 9.8040 10.5660 10.5660 10.6665 10.6665 14.8547 14.8547 15.8023 15.8023 15.8601 15.8601 k = 0.4211 0.4211 0.4211 ( 1667 PWs) bands (ev): -31.2422 -31.2422 -12.3500 -12.3500 -10.9318 -10.9318 -10.9314 -10.9314 6.4294 6.4294 6.4821 6.4821 6.8115 6.8115 7.4528 7.4528 7.4542 7.4542 9.8624 9.8624 10.5200 10.5200 10.6190 10.6190 14.7355 14.7355 15.9104 15.9104 15.9680 15.9680 k = 0.4276 0.4276 0.4276 ( 1661 PWs) bands (ev): -31.2416 -31.2416 -12.3518 -12.3518 -10.9339 -10.9339 -10.9336 -10.9336 6.4359 6.4359 6.4814 6.4814 6.8121 6.8121 7.4677 7.4677 7.4690 7.4690 9.9180 9.9180 10.4773 10.4773 10.5745 10.5745 14.6180 14.6180 16.0193 16.0193 16.0763 16.0763 k = 0.4342 0.4342 0.4342 ( 1661 PWs) bands (ev): -31.2411 -31.2411 -12.3534 -12.3534 -10.9358 -10.9358 -10.9356 -10.9356 6.4422 6.4422 6.4807 6.4807 6.8129 6.8129 7.4818 7.4818 7.4829 7.4829 9.9706 9.9706 10.4382 10.4382 10.5332 10.5332 14.5047 14.5047 16.1285 16.1285 16.1845 16.1845 k = 0.4408 0.4408 0.4408 ( 1667 PWs) bands (ev): -31.2406 -31.2406 -12.3549 -12.3549 -10.9376 -10.9376 -10.9374 -10.9374 6.4482 6.4482 6.4801 6.4801 6.8138 6.8138 7.4948 7.4948 7.4958 7.4958 10.0193 10.0193 10.4032 10.4032 10.4953 10.4953 14.3974 14.3974 16.2378 16.2378 16.2923 16.2923 k = 0.4474 0.4474 0.4474 ( 1670 PWs) bands (ev): -31.2402 -31.2402 -12.3563 -12.3563 -10.9392 -10.9392 -10.9390 -10.9390 6.4538 6.4538 6.4795 6.4795 6.8149 6.8149 7.5069 7.5069 7.5078 7.5078 10.0636 10.0636 10.3726 10.3726 10.4608 10.4608 14.2977 14.2977 16.3467 16.3467 16.3990 16.3990 k = 0.4539 0.4539 0.4539 ( 1664 PWs) bands (ev): -31.2398 -31.2398 -12.3575 -12.3575 -10.9406 -10.9406 -10.9404 -10.9404 6.4591 6.4591 6.4791 6.4791 6.8160 6.8160 7.5179 7.5179 7.5186 7.5186 10.1024 10.1024 10.3472 10.3472 10.4301 10.4301 14.2067 14.2067 16.4548 16.4548 16.5041 16.5041 k = 0.4605 0.4605 0.4605 ( 1658 PWs) bands (ev): -31.2395 -31.2395 -12.3585 -12.3585 -10.9418 -10.9418 -10.9417 -10.9417 6.4638 6.4638 6.4788 6.4788 6.8172 6.8172 7.5276 7.5276 7.5282 7.5282 10.1342 10.1342 10.3281 10.3281 10.4031 10.4031 14.1254 14.1254 16.5611 16.5611 16.6063 16.6063 k = 0.4671 0.4671 0.4671 ( 1658 PWs) bands (ev): -31.2392 -31.2392 -12.3594 -12.3594 -10.9428 -10.9428 -10.9427 -10.9427 6.4679 6.4679 6.4784 6.4784 6.8183 6.8183 7.5360 7.5360 7.5364 7.5364 10.1575 10.1575 10.3165 10.3165 10.3800 10.3800 14.0548 14.0548 16.6645 16.6645 16.7043 16.7043 k = 0.4737 0.4737 0.4737 ( 1652 PWs) bands (ev): -31.2390 -31.2390 -12.3601 -12.3601 -10.9436 -10.9436 -10.9436 -10.9436 6.4714 6.4714 6.4782 6.4782 6.8193 6.8193 7.5431 7.5431 7.5433 7.5433 10.1713 10.1713 10.3129 10.3129 10.3609 10.3609 13.9958 13.9958 16.7631 16.7631 16.7958 16.7958 k = 0.4803 0.4803 0.4803 ( 1640 PWs) bands (ev): -31.2388 -31.2388 -12.3607 -12.3607 -10.9443 -10.9443 -10.9443 -10.9443 6.4742 6.4742 6.4780 6.4780 6.8201 6.8201 7.5487 7.5487 7.5488 7.5488 10.1772 10.1772 10.3154 10.3154 10.3460 10.3460 13.9491 13.9491 16.8537 16.8537 16.8774 16.8774 k = 0.4868 0.4868 0.4868 ( 1640 PWs) bands (ev): -31.2387 -31.2387 -12.3611 -12.3611 -10.9448 -10.9448 -10.9448 -10.9448 6.4762 6.4762 6.4779 6.4779 6.8207 6.8207 7.5526 7.5526 7.5527 7.5527 10.1784 10.1784 10.3206 10.3206 10.3353 10.3353 13.9153 13.9153 16.9305 16.9305 16.9439 16.9439 k = 0.4934 0.4934 0.4934 ( 1640 PWs) bands (ev): -31.2386 -31.2386 -12.3613 -12.3613 -10.9450 -10.9450 -10.9450 -10.9450 6.4774 6.4774 6.4778 6.4778 6.8211 6.8211 7.5550 7.5550 7.5551 7.5551 10.1779 10.1779 10.3250 10.3250 10.3288 10.3288 13.8948 13.8948 16.9845 16.9845 16.9886 16.9886 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): -31.2386 -31.2386 -12.3614 -12.3614 -10.9451 -10.9451 -10.9451 -10.9451 6.4778 6.4778 6.4778 6.4778 6.8212 6.8212 7.5558 7.5558 7.5558 7.5558 10.1775 10.1775 10.3267 10.3267 10.3267 10.3267 13.8879 13.8879 17.0045 17.0045 17.0045 17.0045 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): -31.2386 -31.2386 -12.3614 -12.3614 -10.9451 -10.9451 -10.9451 -10.9451 6.4778 6.4778 6.4778 6.4778 6.8212 6.8212 7.5558 7.5558 7.5558 7.5558 10.1775 10.1775 10.3267 10.3267 10.3267 10.3267 13.8879 13.8879 17.0045 17.0045 17.0045 17.0045 k = 0.4919 0.5000 0.4919 ( 1640 PWs) bands (ev): -31.2386 -31.2386 -12.3613 -12.3613 -10.9451 -10.9451 -10.9450 -10.9450 6.4774 6.4774 6.4778 6.4778 6.8211 6.8211 7.5547 7.5547 7.5554 7.5554 10.1779 10.1779 10.3251 10.3251 10.3287 10.3287 13.8948 13.8948 16.9778 16.9778 16.9954 16.9954 k = 0.4839 0.5000 0.4839 ( 1640 PWs) bands (ev): -31.2387 -31.2387 -12.3611 -12.3611 -10.9450 -10.9450 -10.9445 -10.9445 6.4762 6.4762 6.4778 6.4778 6.8207 6.8207 7.5512 7.5512 7.5541 7.5541 10.1785 10.1785 10.3210 10.3210 10.3348 10.3348 13.9153 13.9153 16.9073 16.9073 16.9684 16.9684 k = 0.4758 0.5000 0.4758 ( 1640 PWs) bands (ev): -31.2388 -31.2388 -12.3607 -12.3607 -10.9449 -10.9449 -10.9437 -10.9437 6.4744 6.4744 6.4778 6.4778 6.8201 6.8201 7.5454 7.5454 7.5520 7.5520 10.1777 10.1777 10.3160 10.3160 10.3450 10.3450 13.9492 13.9492 16.8099 16.8099 16.9242 16.9242 k = 0.4677 0.5000 0.4677 ( 1652 PWs) bands (ev): -31.2390 -31.2390 -12.3601 -12.3601 -10.9447 -10.9447 -10.9425 -10.9425 6.4716 6.4716 6.4779 6.4779 6.8192 6.8192 7.5373 7.5373 7.5490 7.5490 10.1730 10.1730 10.3130 10.3130 10.3593 10.3593 13.9961 13.9961 16.6979 16.6979 16.8639 16.8639 k = 0.4597 0.5000 0.4597 ( 1658 PWs) bands (ev): -31.2392 -31.2392 -12.3594 -12.3594 -10.9445 -10.9445 -10.9411 -10.9411 6.4683 6.4683 6.4779 6.4779 6.8182 6.8182 7.5272 7.5272 7.5451 7.5451 10.1615 10.1615 10.3152 10.3152 10.3776 10.3776 14.0553 14.0553 16.5780 16.5780 16.7891 16.7891 k = 0.4516 0.5000 0.4516 ( 1662 PWs) bands (ev): -31.2395 -31.2395 -12.3585 -12.3585 -10.9441 -10.9441 -10.9393 -10.9393 6.4643 6.4643 6.4780 6.4780 6.8171 6.8171 7.5150 7.5150 7.5404 7.5404 10.1419 10.1419 10.3242 10.3242 10.3998 10.3998 14.1262 14.1262 16.4538 16.4538 16.7018 16.7018 k = 0.4435 0.5000 0.4435 ( 1664 PWs) bands (ev): -31.2398 -31.2398 -12.3575 -12.3575 -10.9438 -10.9438 -10.9372 -10.9372 6.4596 6.4596 6.4782 6.4782 6.8159 6.8159 7.5011 7.5011 7.5349 7.5349 10.1149 10.1149 10.3396 10.3396 10.4260 10.4260 14.2081 14.2081 16.3275 16.3275 16.6039 16.6039 k = 0.4355 0.5000 0.4355 ( 1664 PWs) bands (ev): -31.2402 -31.2402 -12.3563 -12.3563 -10.9434 -10.9434 -10.9348 -10.9348 6.4544 6.4544 6.4784 6.4784 6.8146 6.8146 7.4855 7.4855 7.5285 7.5285 10.0823 10.0823 10.3602 10.3602 10.4561 10.4561 14.3002 14.3002 16.2001 16.2001 16.4976 16.4976 k = 0.4274 0.5000 0.4274 ( 1672 PWs) bands (ev): -31.2406 -31.2406 -12.3550 -12.3550 -10.9429 -10.9429 -10.9321 -10.9321 6.4486 6.4486 6.4786 6.4786 6.8134 6.8134 7.4684 7.4684 7.5212 7.5212 10.0454 10.0454 10.3845 10.3845 10.4899 10.4899 14.4017 14.4017 16.0724 16.0724 16.3848 16.3848 k = 0.4194 0.5000 0.4194 ( 1668 PWs) bands (ev): -31.2411 -31.2411 -12.3535 -12.3535 -10.9424 -10.9424 -10.9290 -10.9290 6.4424 6.4424 6.4789 6.4789 6.8122 6.8122 7.4500 7.4500 7.5131 7.5131 10.0057 10.0057 10.4116 10.4116 10.5274 10.5274 14.5120 14.5120 15.9450 15.9450 16.2673 16.2673 k = 0.4113 0.5000 0.4113 ( 1666 PWs) bands (ev): -31.2416 -31.2416 -12.3519 -12.3519 -10.9418 -10.9418 -10.9257 -10.9257 6.4357 6.4357 6.4793 6.4793 6.8112 6.8112 7.4304 7.4304 7.5042 7.5042 9.9640 9.9640 10.4407 10.4407 10.5685 10.5685 14.6301 14.6301 15.8180 15.8180 16.1469 16.1469 k = 0.4032 0.5000 0.4032 ( 1670 PWs) bands (ev): -31.2421 -31.2421 -12.3502 -12.3502 -10.9412 -10.9412 -10.9222 -10.9222 6.4287 6.4287 6.4797 6.4797 6.8103 6.8103 7.4098 7.4098 7.4944 7.4944 9.9211 9.9211 10.4710 10.4710 10.6131 10.6131 14.7554 14.7554 15.6918 15.6918 16.0250 16.0250 k = 0.3952 0.5000 0.3952 ( 1666 PWs) bands (ev): -31.2427 -31.2427 -12.3483 -12.3483 -10.9405 -10.9405 -10.9183 -10.9183 6.4215 6.4215 6.4803 6.4803 6.8097 6.8097 7.3884 7.3884 7.4839 7.4839 9.8776 9.8776 10.5020 10.5020 10.6608 10.6608 14.8872 14.8872 15.5665 15.5665 15.9030 15.9030 k = 0.3871 0.5000 0.3871 ( 1666 PWs) bands (ev): -31.2434 -31.2434 -12.3463 -12.3463 -10.9398 -10.9398 -10.9142 -10.9142 6.4141 6.4141 6.4809 6.4809 6.8093 6.8093 7.3663 7.3663 7.4726 7.4726 9.8341 9.8341 10.5330 10.5330 10.7116 10.7116 15.0246 15.0246 15.4423 15.4423 15.7820 15.7820 k = 0.3790 0.5000 0.3790 ( 1662 PWs) bands (ev): -31.2440 -31.2440 -12.3442 -12.3442 -10.9390 -10.9390 -10.9098 -10.9098 6.4065 6.4065 6.4816 6.4816 6.8092 6.8092 7.3438 7.3438 7.4605 7.4605 9.7910 9.7910 10.5635 10.5635 10.7653 10.7653 15.1667 15.1667 15.3193 15.3193 15.6632 15.6632 k = 0.3710 0.5000 0.3710 ( 1670 PWs) bands (ev): -31.2447 -31.2447 -12.3421 -12.3421 -10.9382 -10.9382 -10.9052 -10.9052 6.3989 6.3989 6.4824 6.4824 6.8092 6.8092 7.3209 7.3209 7.4476 7.4476 9.7487 9.7487 10.5928 10.5928 10.8216 10.8216 15.1974 15.1974 15.3126 15.3126 15.5477 15.5477 k = 0.3629 0.5000 0.3629 ( 1670 PWs) bands (ev): -31.2455 -31.2455 -12.3398 -12.3398 -10.9374 -10.9374 -10.9003 -10.9003 6.3914 6.3914 6.4833 6.4833 6.8097 6.8097 7.2979 7.2979 7.4340 7.4340 9.7075 9.7075 10.6204 10.6204 10.8803 10.8803 15.0770 15.0770 15.4363 15.4363 15.4605 15.4605 k = 0.3548 0.5000 0.3548 ( 1674 PWs) bands (ev): -31.2463 -31.2463 -12.3374 -12.3374 -10.9365 -10.9365 -10.8952 -10.8952 6.3840 6.3840 6.4843 6.4843 6.8106 6.8106 7.2748 7.2748 7.4198 7.4198 9.6675 9.6675 10.6456 10.6456 10.9411 10.9411 14.9580 14.9580 15.3301 15.3301 15.6083 15.6083 k = 0.3468 0.5000 0.3468 ( 1674 PWs) bands (ev): -31.2471 -31.2471 -12.3350 -12.3350 -10.9356 -10.9356 -10.8899 -10.8899 6.3769 6.3769 6.4854 6.4854 6.8118 6.8118 7.2518 7.2518 7.4049 7.4049 9.6291 9.6291 10.6678 10.6678 11.0040 11.0040 14.8403 14.8403 15.2298 15.2298 15.7520 15.7520 k = 0.3387 0.5000 0.3387 ( 1686 PWs) bands (ev): -31.2479 -31.2479 -12.3325 -12.3325 -10.9346 -10.9346 -10.8844 -10.8844 6.3700 6.3700 6.4866 6.4866 6.8133 6.8133 7.2289 7.2289 7.3894 7.3894 9.5924 9.5924 10.6862 10.6862 11.0687 11.0687 14.7242 14.7242 15.1363 15.1363 15.8837 15.8837 k = 0.3306 0.5000 0.3306 ( 1686 PWs) bands (ev): -31.2488 -31.2488 -12.3299 -12.3299 -10.9337 -10.9337 -10.8788 -10.8788 6.3637 6.3637 6.4880 6.4880 6.8153 6.8153 7.2065 7.2065 7.3735 7.3735 9.5575 9.5575 10.7004 10.7004 11.1351 11.1351 14.6095 14.6095 15.0504 15.0504 15.9884 15.9884 k = 0.3226 0.5000 0.3226 ( 1678 PWs) bands (ev): -31.2496 -31.2496 -12.3272 -12.3272 -10.9326 -10.9326 -10.8729 -10.8729 6.3578 6.3578 6.4895 6.4895 6.8178 6.8178 7.1847 7.1847 7.3571 7.3571 9.5245 9.5245 10.7096 10.7096 11.2028 11.2028 14.4965 14.4965 14.9728 14.9728 16.0447 16.0447 k = 0.3145 0.5000 0.3145 ( 1686 PWs) bands (ev): -31.2506 -31.2506 -12.3245 -12.3245 -10.9316 -10.9316 -10.8669 -10.8669 6.3524 6.3524 6.4909 6.4909 6.8206 6.8206 7.1633 7.1633 7.3403 7.3403 9.4934 9.4934 10.7132 10.7132 11.2718 11.2718 14.3850 14.3850 14.9040 14.9040 16.0431 16.0431 k = 0.3065 0.5000 0.3065 ( 1682 PWs) bands (ev): -31.2515 -31.2515 -12.3218 -12.3218 -10.9305 -10.9305 -10.8608 -10.8608 6.3477 6.3477 6.4925 6.4925 6.8238 6.8238 7.1427 7.1427 7.3232 7.3232 9.4644 9.4644 10.7108 10.7108 11.3418 11.3418 14.2752 14.2752 14.8446 14.8446 15.9983 15.9983 k = 0.2984 0.5000 0.2984 ( 1682 PWs) bands (ev): -31.2524 -31.2524 -12.3190 -12.3190 -10.9294 -10.9294 -10.8545 -10.8545 6.3437 6.3437 6.4941 6.4941 6.8274 6.8274 7.1229 7.1229 7.3059 7.3059 9.4373 9.4373 10.7020 10.7020 11.4128 11.4128 14.1671 14.1671 14.7949 14.7949 15.9291 15.9291 k = 0.2903 0.5000 0.2903 ( 1682 PWs) bands (ev): -31.2534 -31.2534 -12.3162 -12.3162 -10.9283 -10.9283 -10.8482 -10.8482 6.3403 6.3403 6.4956 6.4956 6.8314 6.8314 7.1040 7.1040 7.2884 7.2884 9.4123 9.4123 10.6864 10.6864 11.4845 11.4845 14.0607 14.0607 14.7551 14.7551 15.8469 15.8469 k = 0.2823 0.5000 0.2823 ( 1678 PWs) bands (ev): -31.2544 -31.2544 -12.3134 -12.3134 -10.9271 -10.9271 -10.8417 -10.8417 6.3378 6.3378 6.4972 6.4972 6.8356 6.8356 7.0862 7.0862 7.2709 7.2709 9.3894 9.3894 10.6639 10.6639 11.5568 11.5568 13.9561 13.9561 14.7254 14.7254 15.7575 15.7575 k = 0.2742 0.5000 0.2742 ( 1678 PWs) bands (ev): -31.2553 -31.2553 -12.3106 -12.3106 -10.9260 -10.9260 -10.8352 -10.8352 6.3360 6.3360 6.4987 6.4987 6.8402 6.8402 7.0695 7.0695 7.2535 7.2535 9.3684 9.3684 10.6345 10.6345 11.6294 11.6294 13.8533 13.8533 14.7055 14.7055 15.6637 15.6637 k = 0.2661 0.5000 0.2661 ( 1674 PWs) bands (ev): -31.2563 -31.2563 -12.3078 -12.3078 -10.9248 -10.9248 -10.8285 -10.8285 6.3351 6.3351 6.5001 6.5001 6.8450 6.8450 7.0541 7.0541 7.2363 7.2363 9.3493 9.3493 10.5984 10.5984 11.7023 11.7023 13.7524 13.7524 14.6953 14.6953 15.5672 15.5672 k = 0.2581 0.5000 0.2581 ( 1674 PWs) bands (ev): -31.2573 -31.2573 -12.3050 -12.3050 -10.9236 -10.9236 -10.8219 -10.8219 6.3349 6.3349 6.5013 6.5013 6.8499 6.8499 7.0400 7.0400 7.2194 7.2194 9.3321 9.3321 10.5557 10.5557 11.7753 11.7753 13.6535 13.6535 14.6942 14.6942 15.4690 15.4690 k = 0.2500 0.5000 0.2500 ( 1674 PWs) bands (ev): -31.2583 -31.2583 -12.3022 -12.3022 -10.9224 -10.9224 -10.8152 -10.8152 6.3356 6.3356 6.5023 6.5023 6.8549 6.8549 7.0275 7.0275 7.2029 7.2029 9.3168 9.3168 10.5069 10.5069 11.8483 11.8483 13.5565 13.5565 14.7017 14.7017 15.3699 15.3699 k = 0.2419 0.5000 0.2419 ( 1674 PWs) bands (ev): -31.2593 -31.2593 -12.2995 -12.2995 -10.9212 -10.9212 -10.8086 -10.8086 6.3372 6.3372 6.5030 6.5030 6.8598 6.8598 7.0165 7.0165 7.1870 7.1870 9.3032 9.3032 10.4524 10.4524 11.9209 11.9209 13.4616 13.4616 14.7172 14.7172 15.2703 15.2703 k = 0.2339 0.5000 0.2339 ( 1678 PWs) bands (ev): -31.2603 -31.2603 -12.2968 -12.2968 -10.9200 -10.9200 -10.8019 -10.8019 6.3396 6.3396 6.5035 6.5035 6.8645 6.8645 7.0072 7.0072 7.1717 7.1717 9.2914 9.2914 10.3927 10.3927 11.9932 11.9932 13.3688 13.3688 14.7397 14.7397 15.1707 15.1707 k = 0.2258 0.5000 0.2258 ( 1686 PWs) bands (ev): -31.2613 -31.2613 -12.2941 -12.2941 -10.9188 -10.9188 -10.7953 -10.7953 6.3427 6.3427 6.5036 6.5036 6.8689 6.8689 6.9997 6.9997 7.1573 7.1573 9.2812 9.2812 10.3285 10.3285 12.0649 12.0649 13.2781 13.2781 14.7684 14.7684 15.0715 15.0715 k = 0.2177 0.5000 0.2177 ( 1682 PWs) bands (ev): -31.2623 -31.2623 -12.2915 -12.2915 -10.9175 -10.9175 -10.7886 -10.7886 6.3467 6.3467 6.5035 6.5035 6.8730 6.8730 6.9941 6.9941 7.1441 7.1441 9.2725 9.2725 10.2604 10.2604 12.1360 12.1360 13.1897 13.1897 14.8014 14.8014 14.9739 14.9739 k = 0.2097 0.5000 0.2097 ( 1682 PWs) bands (ev): -31.2632 -31.2632 -12.2889 -12.2889 -10.9163 -10.9163 -10.7821 -10.7821 6.3513 6.3513 6.5031 6.5031 6.8765 6.8765 6.9901 6.9901 7.1322 7.1322 9.2654 9.2654 10.1889 10.1889 12.2061 12.2061 13.1036 13.1036 14.8283 14.8283 14.8879 14.8879 k = 0.2016 0.5000 0.2016 ( 1678 PWs) bands (ev): -31.2642 -31.2642 -12.2864 -12.2864 -10.9151 -10.9151 -10.7756 -10.7756 6.3567 6.3567 6.5023 6.5023 6.8795 6.8795 6.9878 6.9878 7.1219 7.1219 9.2597 9.2597 10.1147 10.1147 12.2753 12.2753 13.0198 13.0198 14.7669 14.7669 14.8949 14.8949 k = 0.1935 0.5000 0.1935 ( 1680 PWs) bands (ev): -31.2651 -31.2651 -12.2839 -12.2839 -10.9139 -10.9139 -10.7693 -10.7693 6.3625 6.3625 6.5013 6.5013 6.8821 6.8821 6.9865 6.9865 7.1134 7.1134 9.2553 9.2553 10.0383 10.0383 12.3433 12.3433 12.9385 12.9385 14.6733 14.6733 14.9382 14.9382 k = 0.1855 0.5000 0.1855 ( 1680 PWs) bands (ev): -31.2660 -31.2660 -12.2815 -12.2815 -10.9127 -10.9127 -10.7630 -10.7630 6.3687 6.3687 6.5000 6.5000 6.8843 6.8843 6.9861 6.9861 7.1072 7.1072 9.2522 9.2522 9.9604 9.9604 12.4099 12.4099 12.8597 12.8597 14.5788 14.5788 14.9860 14.9860 k = 0.1774 0.5000 0.1774 ( 1680 PWs) bands (ev): -31.2669 -31.2669 -12.2792 -12.2792 -10.9116 -10.9116 -10.7569 -10.7569 6.3752 6.3752 6.4986 6.4986 6.8865 6.8865 6.9859 6.9859 7.1034 7.1034 9.2503 9.2503 9.8813 9.8813 12.4750 12.4750 12.7835 12.7835 14.4853 14.4853 15.0358 15.0358 k = 0.1694 0.5000 0.1694 ( 1664 PWs) bands (ev): -31.2678 -31.2678 -12.2770 -12.2770 -10.9104 -10.9104 -10.7508 -10.7508 6.3820 6.3820 6.4974 6.4974 6.8887 6.8887 6.9858 6.9858 7.1023 7.1023 9.2495 9.2495 9.8017 9.8017 12.5384 12.5384 12.7101 12.7101 14.3934 14.3934 15.0865 15.0865 k = 0.1613 0.5000 0.1613 ( 1668 PWs) bands (ev): -31.2687 -31.2687 -12.2748 -12.2748 -10.9093 -10.9093 -10.7450 -10.7450 6.3885 6.3885 6.4961 6.4961 6.8910 6.8910 6.9853 6.9853 7.1037 7.1037 9.2496 9.2496 9.7221 9.7221 12.5989 12.5989 12.6405 12.6405 14.3033 14.3033 15.1373 15.1373 k = 0.1532 0.5000 0.1532 ( 1672 PWs) bands (ev): -31.2695 -31.2695 -12.2728 -12.2728 -10.9082 -10.9082 -10.7393 -10.7393 6.3946 6.3946 6.4951 6.4951 6.8937 6.8937 6.9846 6.9846 7.1075 7.1075 9.2505 9.2505 9.6429 9.6429 12.5700 12.5700 12.6610 12.6610 14.2154 14.2154 15.1876 15.1876 k = 0.1452 0.5000 0.1452 ( 1672 PWs) bands (ev): -31.2703 -31.2703 -12.2708 -12.2708 -10.9071 -10.9071 -10.7339 -10.7339 6.4002 6.4002 6.4946 6.4946 6.8968 6.8968 6.9839 6.9839 7.1133 7.1133 9.2521 9.2521 9.5646 9.5646 12.5052 12.5052 12.7183 12.7183 14.1299 14.1299 15.2369 15.2369 k = 0.1371 0.5000 0.1371 ( 1672 PWs) bands (ev): -31.2711 -31.2711 -12.2689 -12.2689 -10.9061 -10.9061 -10.7286 -10.7286 6.4050 6.4050 6.4947 6.4947 6.9004 6.9004 6.9832 6.9832 7.1209 7.1209 9.2538 9.2538 9.4879 9.4879 12.4430 12.4430 12.7736 12.7736 14.0471 14.0471 15.2846 15.2846 k = 0.1290 0.5000 0.1290 ( 1672 PWs) bands (ev): -31.2718 -31.2718 -12.2672 -12.2672 -10.9051 -10.9051 -10.7236 -10.7236 6.4088 6.4088 6.4955 6.4955 6.9046 6.9046 6.9829 6.9829 7.1296 7.1296 9.2549 9.2549 9.4141 9.4141 12.3838 12.3838 12.8266 12.8266 13.9672 13.9672 15.3303 15.3303 k = 0.1210 0.5000 0.1210 ( 1678 PWs) bands (ev): -31.2725 -31.2725 -12.2655 -12.2655 -10.9042 -10.9042 -10.7188 -10.7188 6.4115 6.4115 6.4970 6.4970 6.9094 6.9094 6.9829 6.9829 7.1393 7.1393 9.2520 9.2520 9.3467 9.3467 12.3277 12.3277 12.8771 12.8771 13.8904 13.8904 15.3736 15.3736 k = 0.1129 0.5000 0.1129 ( 1678 PWs) bands (ev): -31.2732 -31.2732 -12.2639 -12.2639 -10.9033 -10.9033 -10.7142 -10.7142 6.4131 6.4131 6.4992 6.4992 6.9150 6.9150 6.9835 6.9835 7.1496 7.1496 9.2297 9.2297 9.3013 9.3013 12.2747 12.2747 12.9249 12.9249 13.8171 13.8171 15.4143 15.4143 k = 0.1048 0.5000 0.1048 ( 1678 PWs) bands (ev): -31.2738 -31.2738 -12.2625 -12.2625 -10.9024 -10.9024 -10.7099 -10.7099 6.4138 6.4138 6.5020 6.5020 6.9211 6.9211 6.9847 6.9847 7.1603 7.1603 9.1762 9.1762 9.2901 9.2901 12.2250 12.2250 12.9699 12.9699 13.7474 13.7474 15.4521 15.4521 k = 0.0968 0.5000 0.0968 ( 1670 PWs) bands (ev): -31.2744 -31.2744 -12.2611 -12.2611 -10.9016 -10.9016 -10.7058 -10.7058 6.4136 6.4136 6.5051 6.5051 6.9280 6.9280 6.9865 6.9865 7.1712 7.1712 9.1137 9.1137 9.2909 9.2909 12.1787 12.1787 13.0120 13.0120 13.6818 13.6818 15.4869 15.4869 k = 0.0887 0.5000 0.0887 ( 1674 PWs) bands (ev): -31.2749 -31.2749 -12.2598 -12.2598 -10.9008 -10.9008 -10.7021 -10.7021 6.4128 6.4128 6.5081 6.5081 6.9352 6.9352 6.9888 6.9888 7.1820 7.1820 9.0517 9.0517 9.2947 9.2947 12.1357 12.1357 13.0509 13.0509 13.6204 13.6204 15.5185 15.5185 k = 0.0806 0.5000 0.0806 ( 1674 PWs) bands (ev): -31.2754 -31.2754 -12.2587 -12.2587 -10.9001 -10.9001 -10.6986 -10.6986 6.4117 6.4117 6.5111 6.5111 6.9427 6.9427 6.9917 6.9917 7.1926 7.1926 8.9923 8.9923 9.2995 9.2995 12.0962 12.0962 13.0865 13.0865 13.5636 13.5636 15.5471 15.5471 k = 0.0726 0.5000 0.0726 ( 1666 PWs) bands (ev): -31.2759 -31.2759 -12.2576 -12.2576 -10.8995 -10.8995 -10.6954 -10.6954 6.4103 6.4103 6.5140 6.5140 6.9501 6.9501 6.9952 6.9952 7.2029 7.2029 8.9364 8.9364 9.3046 9.3046 12.0603 12.0603 13.1187 13.1187 13.5117 13.5117 15.5726 15.5726 k = 0.0645 0.5000 0.0645 ( 1666 PWs) bands (ev): -31.2763 -31.2763 -12.2567 -12.2567 -10.8989 -10.8989 -10.6925 -10.6925 6.4088 6.4088 6.5164 6.5164 6.9572 6.9572 6.9992 6.9992 7.2126 7.2126 8.8847 8.8847 9.3098 9.3098 12.0280 12.0280 13.1472 13.1472 13.4651 13.4651 15.5949 15.5949 k = 0.0565 0.5000 0.0565 ( 1662 PWs) bands (ev): -31.2766 -31.2766 -12.2558 -12.2558 -10.8984 -10.8984 -10.6900 -10.6900 6.4073 6.4073 6.5186 6.5186 6.9636 6.9636 7.0039 7.0039 7.2217 7.2217 8.8376 8.8376 9.3147 9.3147 11.9993 11.9993 13.1717 13.1717 13.4242 13.4242 15.6143 15.6143 k = 0.0484 0.5000 0.0484 ( 1670 PWs) bands (ev): -31.2770 -31.2770 -12.2551 -12.2551 -10.8979 -10.8979 -10.6878 -10.6878 6.4057 6.4057 6.5203 6.5203 6.9691 6.9691 7.0088 7.0088 7.2300 7.2300 8.7956 8.7956 9.3194 9.3194 11.9743 11.9743 13.1917 13.1917 13.3895 13.3895 15.6308 15.6308 k = 0.0403 0.5000 0.0403 ( 1670 PWs) bands (ev): -31.2772 -31.2772 -12.2545 -12.2545 -10.8975 -10.8975 -10.6859 -10.6859 6.4044 6.4044 6.5218 6.5218 6.9736 6.9736 7.0140 7.0140 7.2373 7.2373 8.7592 8.7592 9.3235 9.3235 11.9531 11.9531 13.2068 13.2068 13.3618 13.3618 15.6445 15.6445 k = 0.0323 0.5000 0.0323 ( 1670 PWs) bands (ev): -31.2775 -31.2775 -12.2540 -12.2540 -10.8972 -10.8972 -10.6844 -10.6844 6.4032 6.4032 6.5229 6.5229 6.9772 6.9772 7.0189 7.0189 7.2436 7.2436 8.7287 8.7287 9.3271 9.3271 11.9357 11.9357 13.2165 13.2165 13.3417 13.3417 15.6556 15.6556 k = 0.0242 0.5000 0.0242 ( 1670 PWs) bands (ev): -31.2776 -31.2776 -12.2536 -12.2536 -10.8969 -10.8969 -10.6831 -10.6831 6.4023 6.4023 6.5237 6.5237 6.9798 6.9798 7.0232 7.0232 7.2487 7.2487 8.7046 8.7046 9.3299 9.3299 11.9221 11.9221 13.2208 13.2208 13.3291 13.3291 15.6641 15.6641 k = 0.0161 0.5000 0.0161 ( 1670 PWs) bands (ev): -31.2778 -31.2778 -12.2534 -12.2534 -10.8968 -10.8968 -10.6823 -10.6823 6.4016 6.4016 6.5243 6.5243 6.9816 6.9816 7.0265 7.0265 7.2524 7.2524 8.6871 8.6871 9.3320 9.3320 11.9124 11.9124 13.2212 13.2212 13.3228 13.3228 15.6701 15.6701 k = 0.0081 0.5000 0.0081 ( 1670 PWs) bands (ev): -31.2778 -31.2778 -12.2532 -12.2532 -10.8967 -10.8967 -10.6818 -10.6818 6.4012 6.4012 6.5246 6.5246 6.9827 6.9827 7.0287 7.0287 7.2547 7.2547 8.6765 8.6765 9.3333 9.3333 11.9065 11.9065 13.2202 13.2202 13.3202 13.3202 15.6737 15.6737 k = 0.0000 0.5000-0.0000 ( 1654 PWs) bands (ev): -31.2778 -31.2778 -12.2531 -12.2531 -10.8966 -10.8966 -10.6816 -10.6816 6.4011 6.4011 6.5248 6.5248 6.9831 6.9831 7.0295 7.0295 7.2556 7.2556 8.6729 8.6729 9.3338 9.3338 11.9046 11.9046 13.2196 13.2196 13.3196 13.3196 15.6749 15.6749 k = 0.5000 0.5000-0.0000 ( 1652 PWs) bands (ev): -31.2583 -31.2583 -12.3082 -12.3082 -10.9757 -10.9757 -10.7455 -10.7455 6.1220 6.1220 6.2171 6.2171 6.7144 6.7144 6.8014 6.8014 7.5209 7.5209 9.4742 9.4742 12.1254 12.1254 12.1426 12.1426 12.6564 12.6564 14.9590 14.9590 14.9654 14.9654 k = 0.5000 0.5000 0.0114 ( 1652 PWs) bands (ev): -31.2583 -31.2583 -12.3082 -12.3082 -10.9757 -10.9757 -10.7458 -10.7458 6.1226 6.1226 6.2180 6.2180 6.7147 6.7147 6.8013 6.8013 7.5209 7.5209 9.4747 9.4747 12.1212 12.1212 12.1387 12.1387 12.6591 12.6591 14.9636 14.9636 14.9704 14.9704 k = 0.5000 0.5000 0.0227 ( 1652 PWs) bands (ev): -31.2582 -31.2582 -12.3084 -12.3084 -10.9756 -10.9756 -10.7466 -10.7466 6.1243 6.1243 6.2205 6.2205 6.7158 6.7158 6.8012 6.8012 7.5210 7.5210 9.4761 9.4761 12.1087 12.1087 12.1269 12.1269 12.6671 12.6671 14.9774 14.9774 14.9850 14.9850 k = 0.5000 0.5000 0.0341 ( 1660 PWs) bands (ev): -31.2581 -31.2581 -12.3087 -12.3087 -10.9754 -10.9754 -10.7480 -10.7480 6.1272 6.1272 6.2246 6.2246 6.7174 6.7174 6.8009 6.8009 7.5212 7.5212 9.4784 9.4784 12.0882 12.0882 12.1076 12.1076 12.6804 12.6804 15.0000 15.0000 15.0090 15.0090 k = 0.5000 0.5000 0.0455 ( 1660 PWs) bands (ev): -31.2579 -31.2579 -12.3091 -12.3091 -10.9751 -10.9751 -10.7499 -10.7499 6.1313 6.1313 6.2303 6.2303 6.7200 6.7200 6.8006 6.8006 7.5215 7.5215 9.4816 9.4816 12.0602 12.0602 12.0812 12.0812 12.6991 12.6991 15.0311 15.0311 15.0420 15.0420 k = 0.5000 0.5000 0.0568 ( 1656 PWs) bands (ev): -31.2577 -31.2577 -12.3096 -12.3096 -10.9748 -10.9748 -10.7524 -10.7524 6.1364 6.1364 6.2376 6.2376 6.7234 6.7234 6.8002 6.8002 7.5218 7.5218 9.4859 9.4859 12.0253 12.0253 12.0482 12.0482 12.7231 12.7231 15.0701 15.0701 15.0833 15.0833 k = 0.5000 0.5000 0.0682 ( 1656 PWs) bands (ev): -31.2574 -31.2574 -12.3102 -12.3102 -10.9743 -10.9743 -10.7553 -10.7553 6.1426 6.1426 6.2463 6.2463 6.7276 6.7276 6.7997 6.7997 7.5222 7.5222 9.4910 9.4910 11.9841 11.9841 12.0092 12.0092 12.7525 12.7525 15.1165 15.1165 15.1324 15.1324 k = 0.5000 0.5000 0.0795 ( 1664 PWs) bands (ev): -31.2571 -31.2571 -12.3109 -12.3109 -10.9739 -10.9739 -10.7588 -10.7588 6.1497 6.1497 6.2562 6.2562 6.7329 6.7329 6.7992 6.7992 7.5227 7.5227 9.4971 9.4971 11.9374 11.9374 11.9649 11.9649 12.7871 12.7871 15.1695 15.1695 15.1884 15.1884 k = 0.5000 0.5000 0.0909 ( 1664 PWs) bands (ev): -31.2568 -31.2568 -12.3117 -12.3117 -10.9733 -10.9733 -10.7627 -10.7627 6.1579 6.1579 6.2672 6.2672 6.7393 6.7393 6.7986 6.7986 7.5232 7.5232 9.5042 9.5042 11.8859 11.8859 11.9161 11.9161 12.8271 12.8271 15.2285 15.2285 15.2508 15.2508 k = 0.5000 0.5000 0.1023 ( 1672 PWs) bands (ev): -31.2564 -31.2564 -12.3126 -12.3126 -10.9727 -10.9727 -10.7671 -10.7671 6.1669 6.1669 6.2791 6.2791 6.7468 6.7468 6.7980 6.7980 7.5238 7.5238 9.5122 9.5122 11.8303 11.8303 11.8633 11.8633 12.8725 12.8725 15.2929 15.2929 15.3186 15.3186 k = 0.5000 0.5000 0.1136 ( 1672 PWs) bands (ev): -31.2559 -31.2559 -12.3137 -12.3137 -10.9720 -10.9720 -10.7719 -10.7719 6.1768 6.1768 6.2918 6.2918 6.7558 6.7558 6.7974 6.7974 7.5245 7.5245 9.5213 9.5213 11.7714 11.7714 11.8072 11.8072 12.9233 12.9233 15.3619 15.3619 15.3913 15.3913 k = 0.5000 0.5000 0.1250 ( 1664 PWs) bands (ev): -31.2554 -31.2554 -12.3148 -12.3148 -10.9713 -10.9713 -10.7771 -10.7771 6.1874 6.1874 6.3050 6.3050 6.7664 6.7664 6.7968 6.7968 7.5254 7.5254 9.5314 9.5314 11.7097 11.7097 11.7484 11.7484 12.9794 12.9794 15.4351 15.4351 15.4683 15.4683 k = 0.5000 0.5000 0.1364 ( 1672 PWs) bands (ev): -31.2549 -31.2549 -12.3160 -12.3160 -10.9705 -10.9705 -10.7826 -10.7826 6.1987 6.1987 6.3185 6.3185 6.7786 6.7786 6.7961 6.7961 7.5261 7.5261 9.5425 9.5425 11.6458 11.6458 11.6875 11.6875 13.0408 13.0408 15.5118 15.5118 15.5489 15.5489 k = 0.5000 0.5000 0.1477 ( 1672 PWs) bands (ev): -31.2544 -31.2544 -12.3173 -12.3173 -10.9696 -10.9696 -10.7885 -10.7885 6.2105 6.2105 6.3320 6.3320 6.7927 6.7927 6.7956 6.7956 7.5270 7.5270 9.5547 9.5547 11.5803 11.5803 11.6249 11.6249 13.1077 13.1077 15.5915 15.5915 15.6327 15.6327 k = 0.5000 0.5000 0.1591 ( 1672 PWs) bands (ev): -31.2538 -31.2538 -12.3187 -12.3187 -10.9687 -10.9687 -10.7947 -10.7947 6.2228 6.2228 6.3453 6.3453 6.7950 6.7950 6.8088 6.8088 7.5279 7.5279 9.5680 9.5680 11.5137 11.5137 11.5613 11.5613 13.1798 13.1798 15.6739 15.6739 15.7191 15.7191 k = 0.5000 0.5000 0.1705 ( 1672 PWs) bands (ev): -31.2532 -31.2532 -12.3202 -12.3202 -10.9678 -10.9678 -10.8011 -10.8011 6.2355 6.2355 6.3582 6.3582 6.7946 6.7946 6.8269 6.8269 7.5289 7.5289 9.5823 9.5823 11.4465 11.4465 11.4969 11.4969 13.2573 13.2573 15.7584 15.7584 15.8076 15.8076 k = 0.5000 0.5000 0.1818 ( 1672 PWs) bands (ev): -31.2526 -31.2526 -12.3217 -12.3217 -10.9668 -10.9668 -10.8077 -10.8077 6.2486 6.2486 6.3706 6.3706 6.7942 6.7942 6.8473 6.8473 7.5299 7.5299 9.5979 9.5979 11.3789 11.3789 11.4322 11.4322 13.3401 13.3401 15.8446 15.8446 15.8980 15.8980 k = 0.5000 0.5000 0.1932 ( 1672 PWs) bands (ev): -31.2519 -31.2519 -12.3234 -12.3234 -10.9658 -10.9658 -10.8145 -10.8145 6.2618 6.2618 6.3822 6.3822 6.7938 6.7938 6.8699 6.8699 7.5310 7.5310 9.6145 9.6145 11.3114 11.3114 11.3675 11.3675 13.4282 13.4282 15.9323 15.9323 15.9897 15.9897 k = 0.5000 0.5000 0.2045 ( 1672 PWs) bands (ev): -31.2512 -31.2512 -12.3250 -12.3250 -10.9648 -10.9648 -10.8215 -10.8215 6.2751 6.2751 6.3930 6.3930 6.7936 6.7936 6.8946 6.8946 7.5321 7.5321 9.6324 9.6324 11.2443 11.2443 11.3031 11.3031 13.5215 13.5215 16.0211 16.0211 16.0825 16.0825 k = 0.5000 0.5000 0.2159 ( 1664 PWs) bands (ev): -31.2506 -31.2506 -12.3268 -12.3268 -10.9637 -10.9637 -10.8285 -10.8285 6.2886 6.2886 6.4029 6.4029 6.7937 6.7937 6.9214 6.9214 7.5333 7.5333 9.6514 9.6514 11.1779 11.1779 11.2393 11.2393 13.6200 13.6200 16.1106 16.1106 16.1758 16.1758 k = 0.5000 0.5000 0.2273 ( 1664 PWs) bands (ev): -31.2499 -31.2499 -12.3286 -12.3286 -10.9627 -10.9627 -10.8357 -10.8357 6.3019 6.3019 6.4119 6.4119 6.7938 6.7938 6.9500 6.9500 7.5344 7.5344 9.6717 9.6717 11.1125 11.1125 11.1764 11.1764 13.7237 13.7237 16.2007 16.2007 16.2688 16.2688 k = 0.5000 0.5000 0.2386 ( 1672 PWs) bands (ev): -31.2492 -31.2492 -12.3304 -12.3304 -10.9616 -10.9616 -10.8428 -10.8428 6.3151 6.3151 6.4199 6.4199 6.7940 6.7940 6.9803 6.9803 7.5356 7.5356 9.6932 9.6932 11.0482 11.0482 11.1146 11.1146 13.8323 13.8323 16.2909 16.2909 16.3572 16.3572 k = 0.5000 0.5000 0.2500 ( 1672 PWs) bands (ev): -31.2485 -31.2485 -12.3323 -12.3323 -10.9605 -10.9605 -10.8500 -10.8500 6.3281 6.3281 6.4271 6.4271 6.7944 6.7944 7.0122 7.0122 7.5369 7.5369 9.7159 9.7159 10.9854 10.9854 11.0541 11.0541 13.9461 13.9461 16.3070 16.3070 16.3810 16.3810 k = 0.5000 0.5000 0.2614 ( 1672 PWs) bands (ev): -31.2478 -31.2478 -12.3342 -12.3342 -10.9594 -10.9594 -10.8571 -10.8571 6.3408 6.3408 6.4336 6.4336 6.7949 6.7949 7.0453 7.0453 7.5381 7.5381 9.7399 9.7399 10.9241 10.9241 10.9951 10.9951 14.0647 14.0647 16.1390 16.1390 16.4708 16.4708 k = 0.5000 0.5000 0.2727 ( 1664 PWs) bands (ev): -31.2471 -31.2471 -12.3361 -12.3361 -10.9583 -10.9583 -10.8641 -10.8641 6.3532 6.3532 6.4394 6.4394 6.7958 6.7958 7.0794 7.0794 7.5394 7.5394 9.7652 9.7652 10.8648 10.8648 10.9378 10.9378 14.1882 14.1882 15.9698 15.9698 16.5600 16.5600 k = 0.5000 0.5000 0.2841 ( 1664 PWs) bands (ev): -31.2464 -31.2464 -12.3381 -12.3381 -10.9572 -10.9572 -10.8710 -10.8710 6.3652 6.3652 6.4444 6.4444 6.7967 6.7967 7.1142 7.1142 7.5406 7.5406 9.7916 9.7916 10.8073 10.8073 10.8823 10.8823 14.3163 14.3163 15.8031 15.8031 16.6483 16.6483 k = 0.5000 0.5000 0.2955 ( 1668 PWs) bands (ev): -31.2457 -31.2457 -12.3400 -12.3400 -10.9562 -10.9562 -10.8777 -10.8777 6.3766 6.3766 6.4489 6.4489 6.7977 6.7977 7.1494 7.1494 7.5419 7.5419 9.8192 9.8192 10.7521 10.7521 10.8288 10.8288 14.4490 14.4490 15.6396 15.6396 16.7354 16.7354 k = 0.5000 0.5000 0.3068 ( 1660 PWs) bands (ev): -31.2450 -31.2450 -12.3419 -12.3419 -10.9551 -10.9551 -10.8843 -10.8843 6.3875 6.3875 6.4529 6.4529 6.7990 6.7990 7.1848 7.1848 7.5431 7.5431 9.8479 9.8479 10.6992 10.6992 10.7775 10.7775 14.5861 14.5861 15.4799 15.4799 16.8210 16.8210 k = 0.5000 0.5000 0.3182 ( 1660 PWs) bands (ev): -31.2444 -31.2444 -12.3438 -12.3438 -10.9541 -10.9541 -10.8906 -10.8906 6.3979 6.3979 6.4564 6.4564 6.8004 6.8004 7.2199 7.2199 7.5443 7.5443 9.8776 9.8776 10.6487 10.6487 10.7285 10.7285 14.7273 14.7273 15.3245 15.3245 16.9048 16.9048 k = 0.5000 0.5000 0.3295 ( 1660 PWs) bands (ev): -31.2437 -31.2437 -12.3456 -12.3456 -10.9532 -10.9532 -10.8967 -10.8967 6.4077 6.4077 6.4595 6.4595 6.8019 6.8019 7.2545 7.2545 7.5455 7.5455 9.9081 9.9081 10.6008 10.6008 10.6819 10.6819 14.8726 14.8726 15.1739 15.1739 16.9666 16.9666 k = 0.5000 0.5000 0.3409 ( 1672 PWs) bands (ev): -31.2431 -31.2431 -12.3474 -12.3474 -10.9522 -10.9522 -10.9026 -10.9026 6.4168 6.4168 6.4621 6.4621 6.8034 6.8034 7.2884 7.2884 7.5466 7.5466 9.9392 9.9392 10.5557 10.5557 10.6377 10.6377 15.0216 15.0216 15.0286 15.0286 16.9718 16.9718 k = 0.5000 0.5000 0.3523 ( 1672 PWs) bands (ev): -31.2426 -31.2426 -12.3491 -12.3491 -10.9513 -10.9513 -10.9081 -10.9081 6.4253 6.4253 6.4645 6.4645 6.8051 6.8051 7.3213 7.3213 7.5477 7.5477 9.9707 9.9707 10.5136 10.5136 10.5961 10.5961 14.8891 14.8891 15.1740 15.1740 16.9763 16.9763 k = 0.5000 0.5000 0.3636 ( 1672 PWs) bands (ev): -31.2420 -31.2420 -12.3508 -12.3508 -10.9505 -10.9505 -10.9134 -10.9134 6.4332 6.4332 6.4666 6.4666 6.8069 6.8069 7.3528 7.3528 7.5488 7.5488 10.0023 10.0023 10.4746 10.4746 10.5573 10.5573 14.7559 14.7559 15.3296 15.3296 16.9804 16.9804 k = 0.5000 0.5000 0.3750 ( 1680 PWs) bands (ev): -31.2415 -31.2415 -12.3524 -12.3524 -10.9497 -10.9497 -10.9183 -10.9183 6.4404 6.4404 6.4684 6.4684 6.8086 6.8086 7.3827 7.3827 7.5498 7.5498 10.0335 10.0335 10.4388 10.4388 10.5212 10.5212 14.6297 14.6297 15.4878 15.4878 16.9841 16.9841 k = 0.5000 0.5000 0.3864 ( 1680 PWs) bands (ev): -31.2410 -31.2410 -12.3539 -12.3539 -10.9489 -10.9489 -10.9228 -10.9228 6.4470 6.4470 6.4701 6.4701 6.8103 6.8103 7.4108 7.4108 7.5507 7.5507 10.0638 10.0638 10.4067 10.4067 10.4881 10.4881 14.5109 14.5109 15.6483 15.6483 16.9875 16.9875 k = 0.5000 0.5000 0.3977 ( 1672 PWs) bands (ev): -31.2406 -31.2406 -12.3552 -12.3552 -10.9482 -10.9482 -10.9269 -10.9269 6.4529 6.4529 6.4716 6.4716 6.8121 6.8121 7.4370 7.4370 7.5517 7.5517 10.0925 10.0925 10.3785 10.3785 10.4578 10.4578 14.4004 14.4004 15.8105 15.8105 16.9906 16.9906 k = 0.5000 0.5000 0.4091 ( 1672 PWs) bands (ev): -31.2402 -31.2402 -12.3565 -12.3565 -10.9476 -10.9476 -10.9307 -10.9307 6.4582 6.4582 6.4729 6.4729 6.8138 6.8138 7.4610 7.4610 7.5525 7.5525 10.1187 10.1187 10.3547 10.3547 10.4306 10.4306 14.2988 14.2988 15.9736 15.9736 16.9934 16.9934 k = 0.5000 0.5000 0.4205 ( 1672 PWs) bands (ev): -31.2398 -31.2398 -12.3576 -12.3576 -10.9471 -10.9471 -10.9340 -10.9340 6.4628 6.4628 6.4740 6.4740 6.8153 6.8153 7.4825 7.4825 7.5532 7.5532 10.1413 10.1413 10.3359 10.3359 10.4064 10.4064 14.2067 14.2067 16.1368 16.1368 16.9960 16.9960 k = 0.5000 0.5000 0.4318 ( 1656 PWs) bands (ev): -31.2395 -31.2395 -12.3586 -12.3586 -10.9465 -10.9465 -10.9370 -10.9370 6.4669 6.4669 6.4751 6.4751 6.8169 6.8169 7.5015 7.5015 7.5540 7.5540 10.1591 10.1591 10.3231 10.3231 10.3854 10.3854 14.1250 14.1250 16.2987 16.2987 16.9982 16.9982 k = 0.5000 0.5000 0.4432 ( 1656 PWs) bands (ev): -31.2392 -31.2392 -12.3594 -12.3594 -10.9461 -10.9461 -10.9394 -10.9394 6.4702 6.4702 6.4759 6.4759 6.8181 6.8181 7.5178 7.5178 7.5546 7.5546 10.1709 10.1709 10.3165 10.3165 10.3675 10.3675 14.0543 14.0543 16.4577 16.4577 17.0001 17.0001 k = 0.5000 0.5000 0.4545 ( 1652 PWs) bands (ev): -31.2390 -31.2390 -12.3601 -12.3601 -10.9458 -10.9458 -10.9415 -10.9415 6.4729 6.4729 6.4765 6.4765 6.8192 6.8192 7.5313 7.5313 7.5550 7.5550 10.1771 10.1771 10.3156 10.3156 10.3529 10.3529 13.9954 13.9954 16.6109 16.6109 17.0017 17.0017 k = 0.5000 0.5000 0.4659 ( 1640 PWs) bands (ev): -31.2388 -31.2388 -12.3607 -12.3607 -10.9455 -10.9455 -10.9431 -10.9431 6.4751 6.4751 6.4771 6.4771 6.8201 6.8201 7.5421 7.5421 7.5554 7.5554 10.1790 10.1790 10.3184 10.3184 10.3414 10.3414 13.9488 13.9488 16.7539 16.7539 17.0029 17.0029 k = 0.5000 0.5000 0.4773 ( 1640 PWs) bands (ev): -31.2387 -31.2387 -12.3611 -12.3611 -10.9453 -10.9453 -10.9442 -10.9442 6.4766 6.4766 6.4775 6.4775 6.8207 6.8207 7.5497 7.5497 7.5556 7.5556 10.1787 10.1787 10.3223 10.3223 10.3332 10.3332 13.9151 13.9151 16.8786 16.8786 17.0038 17.0038 k = 0.5000 0.5000 0.4886 ( 1640 PWs) bands (ev): -31.2386 -31.2386 -12.3613 -12.3613 -10.9452 -10.9452 -10.9449 -10.9449 6.4775 6.4775 6.4777 6.4777 6.8211 6.8211 7.5543 7.5543 7.5558 7.5558 10.1779 10.1779 10.3255 10.3255 10.3283 10.3283 13.8947 13.8947 16.9696 16.9696 17.0043 17.0043 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): -31.2386 -31.2386 -12.3614 -12.3614 -10.9451 -10.9451 -10.9451 -10.9451 6.4778 6.4778 6.4778 6.4778 6.8212 6.8212 7.5558 7.5558 7.5558 7.5558 10.1775 10.1775 10.3267 10.3267 10.3267 10.3267 13.8879 13.8879 17.0045 17.0045 17.0045 17.0045 Writing output data file YAg.save init_run : 0.14s CPU 0.23s WALL ( 1 calls) electrons : 35.25s CPU 36.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.01s WALL ( 1 calls) Called by electrons: c_bands : 35.24s CPU 36.42s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 338 calls) cegterg : 31.28s CPU 32.08s WALL ( 341 calls) Called by sum_band: Called by *egterg: h_psi : 16.15s CPU 16.88s WALL ( 4927 calls) s_psi : 0.87s CPU 0.88s WALL ( 4927 calls) g_psi : 0.04s CPU 0.04s WALL ( 4248 calls) cdiaghg : 14.42s CPU 14.72s WALL ( 4586 calls) cegterg:over : 1.09s CPU 1.12s WALL ( 4248 calls) cegterg:upda : 0.73s CPU 0.75s WALL ( 4248 calls) cegterg:last : 0.52s CPU 0.50s WALL ( 1013 calls) cdiaghg:chol : 0.71s CPU 0.75s WALL ( 4586 calls) cdiaghg:inve : 0.31s CPU 0.33s WALL ( 4586 calls) cdiaghg:para : 0.97s CPU 0.90s WALL ( 9172 calls) Called by h_psi: h_psi:vloc : 14.18s CPU 14.87s WALL ( 4927 calls) h_psi:vnl : 1.95s CPU 1.99s WALL ( 4927 calls) add_vuspsi : 1.09s CPU 1.15s WALL ( 4927 calls) General routines calbec : 0.84s CPU 0.83s WALL ( 4927 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 13.45s CPU 14.14s WALL ( 380932 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.14s WALL ( 676 calls) Parallel routines fft_scatter : 7.27s CPU 7.51s WALL ( 380955 calls) PWSCF : 42.90s CPU 52.47s WALL This run was terminated on: 18:26:39 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=