Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:52:35 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: ./YCu.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized 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 24 17 5 552 325 57 Max 25 18 6 555 344 62 Sum 885 633 193 19933 11981 2103 bravais-lattice index = 14 lattice parameter (alat) = 6.5744 a.u. unit-cell volume = 284.1579 (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)= 6.574357 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad 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 1199 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 Cu 11.00 63.54600 Cu( 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= 351 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0000000 0.0108696 -0.0000000), wk = 0.0028490 k( 3) = ( 0.0000000 0.0217391 -0.0000000), wk = 0.0028490 k( 4) = ( 0.0000000 0.0326087 -0.0000000), wk = 0.0028490 k( 5) = ( 0.0000000 0.0434783 -0.0000000), wk = 0.0028490 k( 6) = ( 0.0000000 0.0543478 -0.0000000), wk = 0.0028490 k( 7) = ( 0.0000000 0.0652174 -0.0000000), wk = 0.0028490 k( 8) = ( 0.0000000 0.0760870 -0.0000000), wk = 0.0028490 k( 9) = ( 0.0000000 0.0869565 -0.0000000), wk = 0.0028490 k( 10) = ( 0.0000000 0.0978261 -0.0000000), wk = 0.0028490 k( 11) = ( 0.0000000 0.1086957 -0.0000000), wk = 0.0028490 k( 12) = ( 0.0000000 0.1195652 -0.0000000), wk = 0.0028490 k( 13) = ( 0.0000000 0.1304348 -0.0000000), wk = 0.0028490 k( 14) = ( 0.0000000 0.1413043 -0.0000000), wk = 0.0028490 k( 15) = ( 0.0000000 0.1521739 -0.0000000), wk = 0.0028490 k( 16) = ( 0.0000000 0.1630435 -0.0000000), wk = 0.0028490 k( 17) = ( 0.0000000 0.1739130 -0.0000000), wk = 0.0028490 k( 18) = ( 0.0000000 0.1847826 -0.0000000), wk = 0.0028490 k( 19) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0028490 k( 20) = ( 0.0000000 0.2065217 -0.0000000), wk = 0.0028490 k( 21) = ( 0.0000000 0.2173913 -0.0000000), wk = 0.0028490 k( 22) = ( 0.0000000 0.2282609 -0.0000000), wk = 0.0028490 k( 23) = ( 0.0000000 0.2391304 -0.0000000), wk = 0.0028490 k( 24) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028490 k( 25) = ( 0.0000000 0.2608696 -0.0000000), wk = 0.0028490 k( 26) = ( 0.0000000 0.2717391 -0.0000000), wk = 0.0028490 k( 27) = ( 0.0000000 0.2826087 -0.0000000), wk = 0.0028490 k( 28) = ( 0.0000000 0.2934783 -0.0000000), wk = 0.0028490 k( 29) = ( 0.0000000 0.3043478 -0.0000000), wk = 0.0028490 k( 30) = ( 0.0000000 0.3152174 -0.0000000), wk = 0.0028490 k( 31) = ( 0.0000000 0.3260870 -0.0000000), wk = 0.0028490 k( 32) = ( 0.0000000 0.3369565 -0.0000000), wk = 0.0028490 k( 33) = ( 0.0000000 0.3478261 -0.0000000), wk = 0.0028490 k( 34) = ( 0.0000000 0.3586956 -0.0000000), wk = 0.0028490 k( 35) = ( 0.0000000 0.3695652 -0.0000000), wk = 0.0028490 k( 36) = ( 0.0000000 0.3804348 -0.0000000), wk = 0.0028490 k( 37) = ( 0.0000000 0.3913044 -0.0000000), wk = 0.0028490 k( 38) = ( 0.0000000 0.4021739 -0.0000000), wk = 0.0028490 k( 39) = ( 0.0000000 0.4130435 -0.0000000), wk = 0.0028490 k( 40) = ( 0.0000000 0.4239130 -0.0000000), wk = 0.0028490 k( 41) = ( 0.0000000 0.4347826 -0.0000000), wk = 0.0028490 k( 42) = ( 0.0000000 0.4456522 -0.0000000), wk = 0.0028490 k( 43) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0028490 k( 44) = ( 0.0000000 0.4673913 -0.0000000), wk = 0.0028490 k( 45) = ( 0.0000000 0.4782609 -0.0000000), wk = 0.0028490 k( 46) = ( 0.0000000 0.4891304 -0.0000000), wk = 0.0028490 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028490 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028490 k( 49) = ( 0.0108696 0.5000000 -0.0000000), wk = 0.0028490 k( 50) = ( 0.0217391 0.5000000 -0.0000000), wk = 0.0028490 k( 51) = ( 0.0326087 0.5000000 -0.0000000), wk = 0.0028490 k( 52) = ( 0.0434783 0.5000000 -0.0000000), wk = 0.0028490 k( 53) = ( 0.0543478 0.5000000 -0.0000000), wk = 0.0028490 k( 54) = ( 0.0652174 0.5000000 -0.0000000), wk = 0.0028490 k( 55) = ( 0.0760870 0.5000000 -0.0000000), wk = 0.0028490 k( 56) = ( 0.0869565 0.5000000 -0.0000000), wk = 0.0028490 k( 57) = ( 0.0978261 0.5000000 -0.0000000), wk = 0.0028490 k( 58) = ( 0.1086957 0.5000000 -0.0000000), wk = 0.0028490 k( 59) = ( 0.1195652 0.5000000 -0.0000000), wk = 0.0028490 k( 60) = ( 0.1304348 0.5000000 -0.0000000), wk = 0.0028490 k( 61) = ( 0.1413043 0.5000000 -0.0000000), wk = 0.0028490 k( 62) = ( 0.1521739 0.5000000 -0.0000000), wk = 0.0028490 k( 63) = ( 0.1630435 0.5000000 -0.0000000), wk = 0.0028490 k( 64) = ( 0.1739130 0.5000000 -0.0000000), wk = 0.0028490 k( 65) = ( 0.1847826 0.5000000 -0.0000000), wk = 0.0028490 k( 66) = ( 0.1956522 0.5000000 -0.0000000), wk = 0.0028490 k( 67) = ( 0.2065217 0.5000000 -0.0000000), wk = 0.0028490 k( 68) = ( 0.2173913 0.5000000 -0.0000000), wk = 0.0028490 k( 69) = ( 0.2282609 0.5000000 -0.0000000), wk = 0.0028490 k( 70) = ( 0.2391304 0.5000000 -0.0000000), wk = 0.0028490 k( 71) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028490 k( 72) = ( 0.2608696 0.5000000 -0.0000000), wk = 0.0028490 k( 73) = ( 0.2717391 0.5000000 -0.0000000), wk = 0.0028490 k( 74) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0028490 k( 75) = ( 0.2934783 0.5000000 -0.0000000), wk = 0.0028490 k( 76) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0028490 k( 77) = ( 0.3152174 0.5000000 -0.0000000), wk = 0.0028490 k( 78) = ( 0.3260870 0.5000000 -0.0000000), wk = 0.0028490 k( 79) = ( 0.3369565 0.5000000 -0.0000000), wk = 0.0028490 k( 80) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0028490 k( 81) = ( 0.3586956 0.5000000 -0.0000000), wk = 0.0028490 k( 82) = ( 0.3695652 0.5000000 -0.0000000), wk = 0.0028490 k( 83) = ( 0.3804348 0.5000000 -0.0000000), wk = 0.0028490 k( 84) = ( 0.3913044 0.5000000 -0.0000000), wk = 0.0028490 k( 85) = ( 0.4021739 0.5000000 -0.0000000), wk = 0.0028490 k( 86) = ( 0.4130435 0.5000000 -0.0000000), wk = 0.0028490 k( 87) = ( 0.4239130 0.5000000 -0.0000000), wk = 0.0028490 k( 88) = ( 0.4347826 0.5000000 -0.0000000), wk = 0.0028490 k( 89) = ( 0.4456522 0.5000000 -0.0000000), wk = 0.0028490 k( 90) = ( 0.4565217 0.5000000 -0.0000000), wk = 0.0028490 k( 91) = ( 0.4673913 0.5000000 -0.0000000), wk = 0.0028490 k( 92) = ( 0.4782609 0.5000000 -0.0000000), wk = 0.0028490 k( 93) = ( 0.4891304 0.5000000 -0.0000000), wk = 0.0028490 k( 94) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028490 k( 95) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028490 k( 96) = ( 0.4921875 0.4921875 -0.0000000), wk = 0.0028490 k( 97) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0028490 k( 98) = ( 0.4765625 0.4765625 -0.0000000), wk = 0.0028490 k( 99) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0028490 k( 100) = ( 0.4609375 0.4609375 -0.0000000), wk = 0.0028490 k( 101) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0028490 k( 102) = ( 0.4453125 0.4453125 -0.0000000), wk = 0.0028490 k( 103) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0028490 k( 104) = ( 0.4296875 0.4296875 -0.0000000), wk = 0.0028490 k( 105) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0028490 k( 106) = ( 0.4140625 0.4140625 -0.0000000), wk = 0.0028490 k( 107) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0028490 k( 108) = ( 0.3984375 0.3984375 -0.0000000), wk = 0.0028490 k( 109) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0028490 k( 110) = ( 0.3828125 0.3828125 -0.0000000), wk = 0.0028490 k( 111) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0028490 k( 112) = ( 0.3671875 0.3671875 -0.0000000), wk = 0.0028490 k( 113) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0028490 k( 114) = ( 0.3515625 0.3515625 -0.0000000), wk = 0.0028490 k( 115) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0028490 k( 116) = ( 0.3359375 0.3359375 -0.0000000), wk = 0.0028490 k( 117) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0028490 k( 118) = ( 0.3203125 0.3203125 -0.0000000), wk = 0.0028490 k( 119) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0028490 k( 120) = ( 0.3046875 0.3046875 -0.0000000), wk = 0.0028490 k( 121) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0028490 k( 122) = ( 0.2890625 0.2890625 -0.0000000), wk = 0.0028490 k( 123) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0028490 k( 124) = ( 0.2734375 0.2734375 -0.0000000), wk = 0.0028490 k( 125) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0028490 k( 126) = ( 0.2578125 0.2578125 -0.0000000), wk = 0.0028490 k( 127) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028490 k( 128) = ( 0.2421875 0.2421875 -0.0000000), wk = 0.0028490 k( 129) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0028490 k( 130) = ( 0.2265625 0.2265625 -0.0000000), wk = 0.0028490 k( 131) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0028490 k( 132) = ( 0.2109375 0.2109375 -0.0000000), wk = 0.0028490 k( 133) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0028490 k( 134) = ( 0.1953125 0.1953125 -0.0000000), wk = 0.0028490 k( 135) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0028490 k( 136) = ( 0.1796875 0.1796875 -0.0000000), wk = 0.0028490 k( 137) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0028490 k( 138) = ( 0.1640625 0.1640625 -0.0000000), wk = 0.0028490 k( 139) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0028490 k( 140) = ( 0.1484375 0.1484375 -0.0000000), wk = 0.0028490 k( 141) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0028490 k( 142) = ( 0.1328125 0.1328125 -0.0000000), wk = 0.0028490 k( 143) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028490 k( 144) = ( 0.1171875 0.1171875 -0.0000000), wk = 0.0028490 k( 145) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0028490 k( 146) = ( 0.1015625 0.1015625 -0.0000000), wk = 0.0028490 k( 147) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0028490 k( 148) = ( 0.0859375 0.0859375 -0.0000000), wk = 0.0028490 k( 149) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0028490 k( 150) = ( 0.0703125 0.0703125 -0.0000000), wk = 0.0028490 k( 151) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0028490 k( 152) = ( 0.0546875 0.0546875 -0.0000000), wk = 0.0028490 k( 153) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0028490 k( 154) = ( 0.0390625 0.0390625 -0.0000000), wk = 0.0028490 k( 155) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0028490 k( 156) = ( 0.0234375 0.0234375 -0.0000000), wk = 0.0028490 k( 157) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0028490 k( 158) = ( 0.0078125 0.0078125 -0.0000000), wk = 0.0028490 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 161) = ( 0.0063291 0.0063291 0.0063291), wk = 0.0028490 k( 162) = ( 0.0126582 0.0126582 0.0126582), wk = 0.0028490 k( 163) = ( 0.0189873 0.0189873 0.0189873), wk = 0.0028490 k( 164) = ( 0.0253165 0.0253165 0.0253165), wk = 0.0028490 k( 165) = ( 0.0316456 0.0316456 0.0316456), wk = 0.0028490 k( 166) = ( 0.0379747 0.0379747 0.0379747), wk = 0.0028490 k( 167) = ( 0.0443038 0.0443038 0.0443038), wk = 0.0028490 k( 168) = ( 0.0506329 0.0506329 0.0506329), wk = 0.0028490 k( 169) = ( 0.0569620 0.0569620 0.0569620), wk = 0.0028490 k( 170) = ( 0.0632911 0.0632911 0.0632911), wk = 0.0028490 k( 171) = ( 0.0696202 0.0696202 0.0696202), wk = 0.0028490 k( 172) = ( 0.0759494 0.0759494 0.0759494), wk = 0.0028490 k( 173) = ( 0.0822785 0.0822785 0.0822785), wk = 0.0028490 k( 174) = ( 0.0886076 0.0886076 0.0886076), wk = 0.0028490 k( 175) = ( 0.0949367 0.0949367 0.0949367), wk = 0.0028490 k( 176) = ( 0.1012658 0.1012658 0.1012658), wk = 0.0028490 k( 177) = ( 0.1075949 0.1075949 0.1075949), wk = 0.0028490 k( 178) = ( 0.1139240 0.1139240 0.1139240), wk = 0.0028490 k( 179) = ( 0.1202532 0.1202532 0.1202532), wk = 0.0028490 k( 180) = ( 0.1265823 0.1265823 0.1265823), wk = 0.0028490 k( 181) = ( 0.1329114 0.1329114 0.1329114), wk = 0.0028490 k( 182) = ( 0.1392405 0.1392405 0.1392405), wk = 0.0028490 k( 183) = ( 0.1455696 0.1455696 0.1455696), wk = 0.0028490 k( 184) = ( 0.1518987 0.1518987 0.1518987), wk = 0.0028490 k( 185) = ( 0.1582279 0.1582278 0.1582278), wk = 0.0028490 k( 186) = ( 0.1645570 0.1645570 0.1645570), wk = 0.0028490 k( 187) = ( 0.1708861 0.1708861 0.1708861), wk = 0.0028490 k( 188) = ( 0.1772152 0.1772152 0.1772152), wk = 0.0028490 k( 189) = ( 0.1835443 0.1835443 0.1835443), wk = 0.0028490 k( 190) = ( 0.1898734 0.1898734 0.1898734), wk = 0.0028490 k( 191) = ( 0.1962025 0.1962025 0.1962025), wk = 0.0028490 k( 192) = ( 0.2025317 0.2025316 0.2025316), wk = 0.0028490 k( 193) = ( 0.2088608 0.2088608 0.2088608), wk = 0.0028490 k( 194) = ( 0.2151899 0.2151899 0.2151899), wk = 0.0028490 k( 195) = ( 0.2215190 0.2215190 0.2215190), wk = 0.0028490 k( 196) = ( 0.2278481 0.2278481 0.2278481), wk = 0.0028490 k( 197) = ( 0.2341772 0.2341772 0.2341772), wk = 0.0028490 k( 198) = ( 0.2405063 0.2405063 0.2405063), wk = 0.0028490 k( 199) = ( 0.2468354 0.2468354 0.2468354), wk = 0.0028490 k( 200) = ( 0.2531646 0.2531646 0.2531646), wk = 0.0028490 k( 201) = ( 0.2594937 0.2594937 0.2594937), wk = 0.0028490 k( 202) = ( 0.2658228 0.2658228 0.2658228), wk = 0.0028490 k( 203) = ( 0.2721519 0.2721519 0.2721519), wk = 0.0028490 k( 204) = ( 0.2784810 0.2784810 0.2784810), wk = 0.0028490 k( 205) = ( 0.2848101 0.2848101 0.2848101), wk = 0.0028490 k( 206) = ( 0.2911392 0.2911392 0.2911392), wk = 0.0028490 k( 207) = ( 0.2974683 0.2974683 0.2974683), wk = 0.0028490 k( 208) = ( 0.3037975 0.3037975 0.3037975), wk = 0.0028490 k( 209) = ( 0.3101266 0.3101266 0.3101266), wk = 0.0028490 k( 210) = ( 0.3164557 0.3164557 0.3164557), wk = 0.0028490 k( 211) = ( 0.3227848 0.3227848 0.3227848), wk = 0.0028490 k( 212) = ( 0.3291139 0.3291139 0.3291139), wk = 0.0028490 k( 213) = ( 0.3354430 0.3354430 0.3354430), wk = 0.0028490 k( 214) = ( 0.3417721 0.3417721 0.3417721), wk = 0.0028490 k( 215) = ( 0.3481013 0.3481013 0.3481013), wk = 0.0028490 k( 216) = ( 0.3544304 0.3544304 0.3544304), wk = 0.0028490 k( 217) = ( 0.3607595 0.3607595 0.3607595), wk = 0.0028490 k( 218) = ( 0.3670886 0.3670886 0.3670886), wk = 0.0028490 k( 219) = ( 0.3734177 0.3734177 0.3734177), wk = 0.0028490 k( 220) = ( 0.3797468 0.3797468 0.3797468), wk = 0.0028490 k( 221) = ( 0.3860760 0.3860759 0.3860759), wk = 0.0028490 k( 222) = ( 0.3924051 0.3924051 0.3924051), wk = 0.0028490 k( 223) = ( 0.3987342 0.3987342 0.3987342), wk = 0.0028490 k( 224) = ( 0.4050633 0.4050633 0.4050633), wk = 0.0028490 k( 225) = ( 0.4113924 0.4113924 0.4113924), wk = 0.0028490 k( 226) = ( 0.4177215 0.4177215 0.4177215), wk = 0.0028490 k( 227) = ( 0.4240506 0.4240506 0.4240506), wk = 0.0028490 k( 228) = ( 0.4303798 0.4303797 0.4303797), wk = 0.0028490 k( 229) = ( 0.4367089 0.4367089 0.4367089), wk = 0.0028490 k( 230) = ( 0.4430380 0.4430380 0.4430380), wk = 0.0028490 k( 231) = ( 0.4493671 0.4493671 0.4493671), wk = 0.0028490 k( 232) = ( 0.4556962 0.4556962 0.4556962), wk = 0.0028490 k( 233) = ( 0.4620253 0.4620253 0.4620253), wk = 0.0028490 k( 234) = ( 0.4683544 0.4683544 0.4683544), wk = 0.0028490 k( 235) = ( 0.4746835 0.4746835 0.4746835), wk = 0.0028490 k( 236) = ( 0.4810127 0.4810127 0.4810127), wk = 0.0028490 k( 237) = ( 0.4873418 0.4873418 0.4873418), wk = 0.0028490 k( 238) = ( 0.4936709 0.4936709 0.4936709), wk = 0.0028490 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028490 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028490 k( 241) = ( 0.4921875 0.5000000 0.4921875), wk = 0.0028490 k( 242) = ( 0.4843750 0.5000000 0.4843750), wk = 0.0028490 k( 243) = ( 0.4765625 0.5000000 0.4765625), wk = 0.0028490 k( 244) = ( 0.4687500 0.5000000 0.4687500), wk = 0.0028490 k( 245) = ( 0.4609375 0.5000000 0.4609375), wk = 0.0028490 k( 246) = ( 0.4531250 0.5000000 0.4531250), wk = 0.0028490 k( 247) = ( 0.4453125 0.5000000 0.4453125), wk = 0.0028490 k( 248) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0028490 k( 249) = ( 0.4296875 0.5000000 0.4296875), wk = 0.0028490 k( 250) = ( 0.4218750 0.5000000 0.4218750), wk = 0.0028490 k( 251) = ( 0.4140625 0.5000000 0.4140625), wk = 0.0028490 k( 252) = ( 0.4062500 0.5000000 0.4062500), wk = 0.0028490 k( 253) = ( 0.3984375 0.5000000 0.3984375), wk = 0.0028490 k( 254) = ( 0.3906250 0.5000000 0.3906250), wk = 0.0028490 k( 255) = ( 0.3828125 0.5000000 0.3828125), wk = 0.0028490 k( 256) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0028490 k( 257) = ( 0.3671875 0.5000000 0.3671875), wk = 0.0028490 k( 258) = ( 0.3593750 0.5000000 0.3593750), wk = 0.0028490 k( 259) = ( 0.3515625 0.5000000 0.3515625), wk = 0.0028490 k( 260) = ( 0.3437500 0.5000000 0.3437500), wk = 0.0028490 k( 261) = ( 0.3359375 0.5000000 0.3359375), wk = 0.0028490 k( 262) = ( 0.3281250 0.5000000 0.3281250), wk = 0.0028490 k( 263) = ( 0.3203125 0.5000000 0.3203125), wk = 0.0028490 k( 264) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0028490 k( 265) = ( 0.3046875 0.5000000 0.3046875), wk = 0.0028490 k( 266) = ( 0.2968750 0.5000000 0.2968750), wk = 0.0028490 k( 267) = ( 0.2890625 0.5000000 0.2890625), wk = 0.0028490 k( 268) = ( 0.2812500 0.5000000 0.2812500), wk = 0.0028490 k( 269) = ( 0.2734375 0.5000000 0.2734375), wk = 0.0028490 k( 270) = ( 0.2656250 0.5000000 0.2656250), wk = 0.0028490 k( 271) = ( 0.2578125 0.5000000 0.2578125), wk = 0.0028490 k( 272) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0028490 k( 273) = ( 0.2421875 0.5000000 0.2421875), wk = 0.0028490 k( 274) = ( 0.2343750 0.5000000 0.2343750), wk = 0.0028490 k( 275) = ( 0.2265625 0.5000000 0.2265625), wk = 0.0028490 k( 276) = ( 0.2187500 0.5000000 0.2187500), wk = 0.0028490 k( 277) = ( 0.2109375 0.5000000 0.2109375), wk = 0.0028490 k( 278) = ( 0.2031250 0.5000000 0.2031250), wk = 0.0028490 k( 279) = ( 0.1953125 0.5000000 0.1953125), wk = 0.0028490 k( 280) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0028490 k( 281) = ( 0.1796875 0.5000000 0.1796875), wk = 0.0028490 k( 282) = ( 0.1718750 0.5000000 0.1718750), wk = 0.0028490 k( 283) = ( 0.1640625 0.5000000 0.1640625), wk = 0.0028490 k( 284) = ( 0.1562500 0.5000000 0.1562500), wk = 0.0028490 k( 285) = ( 0.1484375 0.5000000 0.1484375), wk = 0.0028490 k( 286) = ( 0.1406250 0.5000000 0.1406250), wk = 0.0028490 k( 287) = ( 0.1328125 0.5000000 0.1328125), wk = 0.0028490 k( 288) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0028490 k( 289) = ( 0.1171875 0.5000000 0.1171875), wk = 0.0028490 k( 290) = ( 0.1093750 0.5000000 0.1093750), wk = 0.0028490 k( 291) = ( 0.1015625 0.5000000 0.1015625), wk = 0.0028490 k( 292) = ( 0.0937500 0.5000000 0.0937500), wk = 0.0028490 k( 293) = ( 0.0859375 0.5000000 0.0859375), wk = 0.0028490 k( 294) = ( 0.0781250 0.5000000 0.0781250), wk = 0.0028490 k( 295) = ( 0.0703125 0.5000000 0.0703125), wk = 0.0028490 k( 296) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0028490 k( 297) = ( 0.0546875 0.5000000 0.0546875), wk = 0.0028490 k( 298) = ( 0.0468750 0.5000000 0.0468750), wk = 0.0028490 k( 299) = ( 0.0390625 0.5000000 0.0390625), wk = 0.0028490 k( 300) = ( 0.0312500 0.5000000 0.0312500), wk = 0.0028490 k( 301) = ( 0.0234375 0.5000000 0.0234375), wk = 0.0028490 k( 302) = ( 0.0156250 0.5000000 0.0156250), wk = 0.0028490 k( 303) = ( 0.0078125 0.5000000 0.0078125), wk = 0.0028490 k( 304) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028490 k( 305) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028490 k( 306) = ( 0.5000000 0.5000000 0.0108696), wk = 0.0028490 k( 307) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0028490 k( 308) = ( 0.5000000 0.5000000 0.0326087), wk = 0.0028490 k( 309) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0028490 k( 310) = ( 0.5000000 0.5000000 0.0543478), wk = 0.0028490 k( 311) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0028490 k( 312) = ( 0.5000000 0.5000000 0.0760870), wk = 0.0028490 k( 313) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0028490 k( 314) = ( 0.5000000 0.5000000 0.0978261), wk = 0.0028490 k( 315) = ( 0.5000000 0.5000000 0.1086956), wk = 0.0028490 k( 316) = ( 0.5000000 0.5000000 0.1195652), wk = 0.0028490 k( 317) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0028490 k( 318) = ( 0.5000000 0.5000000 0.1413043), wk = 0.0028490 k( 319) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0028490 k( 320) = ( 0.5000000 0.5000000 0.1630435), wk = 0.0028490 k( 321) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0028490 k( 322) = ( 0.5000000 0.5000000 0.1847826), wk = 0.0028490 k( 323) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0028490 k( 324) = ( 0.5000000 0.5000000 0.2065217), wk = 0.0028490 k( 325) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0028490 k( 326) = ( 0.5000000 0.5000000 0.2282609), wk = 0.0028490 k( 327) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0028490 k( 328) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028490 k( 329) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0028490 k( 330) = ( 0.5000000 0.5000000 0.2717391), wk = 0.0028490 k( 331) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0028490 k( 332) = ( 0.5000000 0.5000000 0.2934783), wk = 0.0028490 k( 333) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0028490 k( 334) = ( 0.5000000 0.5000000 0.3152174), wk = 0.0028490 k( 335) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0028490 k( 336) = ( 0.5000000 0.5000000 0.3369565), wk = 0.0028490 k( 337) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0028490 k( 338) = ( 0.5000000 0.5000000 0.3586956), wk = 0.0028490 k( 339) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0028490 k( 340) = ( 0.5000000 0.5000000 0.3804348), wk = 0.0028490 k( 341) = ( 0.5000000 0.5000000 0.3913043), wk = 0.0028490 k( 342) = ( 0.5000000 0.5000000 0.4021739), wk = 0.0028490 k( 343) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0028490 k( 344) = ( 0.5000000 0.5000000 0.4239130), wk = 0.0028490 k( 345) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0028490 k( 346) = ( 0.5000000 0.5000000 0.4456522), wk = 0.0028490 k( 347) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0028490 k( 348) = ( 0.5000000 0.5000000 0.4673913), wk = 0.0028490 k( 349) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0028490 k( 350) = ( 0.5000000 0.5000000 0.4891304), wk = 0.0028490 k( 351) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028490 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0000000 0.0108696 0.0000000), wk = 0.0028490 k( 3) = ( 0.0000000 0.0217391 0.0000000), wk = 0.0028490 k( 4) = ( 0.0000000 0.0326087 0.0000000), wk = 0.0028490 k( 5) = ( 0.0000000 0.0434783 0.0000000), wk = 0.0028490 k( 6) = ( 0.0000000 0.0543478 0.0000000), wk = 0.0028490 k( 7) = ( 0.0000000 0.0652174 0.0000000), wk = 0.0028490 k( 8) = ( 0.0000000 0.0760870 0.0000000), wk = 0.0028490 k( 9) = ( 0.0000000 0.0869565 0.0000000), wk = 0.0028490 k( 10) = ( 0.0000000 0.0978261 0.0000000), wk = 0.0028490 k( 11) = ( 0.0000000 0.1086957 0.0000000), wk = 0.0028490 k( 12) = ( 0.0000000 0.1195652 0.0000000), wk = 0.0028490 k( 13) = ( 0.0000000 0.1304348 0.0000000), wk = 0.0028490 k( 14) = ( 0.0000000 0.1413043 0.0000000), wk = 0.0028490 k( 15) = ( 0.0000000 0.1521739 0.0000000), wk = 0.0028490 k( 16) = ( 0.0000000 0.1630435 0.0000000), wk = 0.0028490 k( 17) = ( 0.0000000 0.1739130 0.0000000), wk = 0.0028490 k( 18) = ( 0.0000000 0.1847826 0.0000000), wk = 0.0028490 k( 19) = ( 0.0000000 0.1956522 0.0000000), wk = 0.0028490 k( 20) = ( 0.0000000 0.2065217 0.0000000), wk = 0.0028490 k( 21) = ( 0.0000000 0.2173913 0.0000000), wk = 0.0028490 k( 22) = ( 0.0000000 0.2282609 0.0000000), wk = 0.0028490 k( 23) = ( 0.0000000 0.2391304 0.0000000), wk = 0.0028490 k( 24) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0028490 k( 25) = ( 0.0000000 0.2608696 0.0000000), wk = 0.0028490 k( 26) = ( 0.0000000 0.2717391 0.0000000), wk = 0.0028490 k( 27) = ( 0.0000000 0.2826087 0.0000000), wk = 0.0028490 k( 28) = ( 0.0000000 0.2934783 0.0000000), wk = 0.0028490 k( 29) = ( 0.0000000 0.3043478 0.0000000), wk = 0.0028490 k( 30) = ( 0.0000000 0.3152174 0.0000000), wk = 0.0028490 k( 31) = ( 0.0000000 0.3260870 0.0000000), wk = 0.0028490 k( 32) = ( 0.0000000 0.3369565 0.0000000), wk = 0.0028490 k( 33) = ( 0.0000000 0.3478261 0.0000000), wk = 0.0028490 k( 34) = ( 0.0000000 0.3586956 0.0000000), wk = 0.0028490 k( 35) = ( 0.0000000 0.3695652 0.0000000), wk = 0.0028490 k( 36) = ( 0.0000000 0.3804348 0.0000000), wk = 0.0028490 k( 37) = ( 0.0000000 0.3913044 0.0000000), wk = 0.0028490 k( 38) = ( 0.0000000 0.4021739 0.0000000), wk = 0.0028490 k( 39) = ( 0.0000000 0.4130435 0.0000000), wk = 0.0028490 k( 40) = ( 0.0000000 0.4239130 0.0000000), wk = 0.0028490 k( 41) = ( 0.0000000 0.4347826 0.0000000), wk = 0.0028490 k( 42) = ( 0.0000000 0.4456522 0.0000000), wk = 0.0028490 k( 43) = ( 0.0000000 0.4565217 0.0000000), wk = 0.0028490 k( 44) = ( 0.0000000 0.4673913 0.0000000), wk = 0.0028490 k( 45) = ( 0.0000000 0.4782609 0.0000000), wk = 0.0028490 k( 46) = ( 0.0000000 0.4891304 0.0000000), wk = 0.0028490 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028490 k( 48) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028490 k( 49) = ( 0.0108696 0.5000000 0.0000000), wk = 0.0028490 k( 50) = ( 0.0217391 0.5000000 0.0000000), wk = 0.0028490 k( 51) = ( 0.0326087 0.5000000 0.0000000), wk = 0.0028490 k( 52) = ( 0.0434783 0.5000000 0.0000000), wk = 0.0028490 k( 53) = ( 0.0543478 0.5000000 0.0000000), wk = 0.0028490 k( 54) = ( 0.0652174 0.5000000 0.0000000), wk = 0.0028490 k( 55) = ( 0.0760870 0.5000000 0.0000000), wk = 0.0028490 k( 56) = ( 0.0869565 0.5000000 0.0000000), wk = 0.0028490 k( 57) = ( 0.0978261 0.5000000 0.0000000), wk = 0.0028490 k( 58) = ( 0.1086957 0.5000000 0.0000000), wk = 0.0028490 k( 59) = ( 0.1195652 0.5000000 0.0000000), wk = 0.0028490 k( 60) = ( 0.1304348 0.5000000 0.0000000), wk = 0.0028490 k( 61) = ( 0.1413043 0.5000000 0.0000000), wk = 0.0028490 k( 62) = ( 0.1521739 0.5000000 0.0000000), wk = 0.0028490 k( 63) = ( 0.1630435 0.5000000 0.0000000), wk = 0.0028490 k( 64) = ( 0.1739130 0.5000000 0.0000000), wk = 0.0028490 k( 65) = ( 0.1847826 0.5000000 0.0000000), wk = 0.0028490 k( 66) = ( 0.1956522 0.5000000 0.0000000), wk = 0.0028490 k( 67) = ( 0.2065217 0.5000000 0.0000000), wk = 0.0028490 k( 68) = ( 0.2173913 0.5000000 0.0000000), wk = 0.0028490 k( 69) = ( 0.2282609 0.5000000 0.0000000), wk = 0.0028490 k( 70) = ( 0.2391304 0.5000000 0.0000000), wk = 0.0028490 k( 71) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0028490 k( 72) = ( 0.2608696 0.5000000 0.0000000), wk = 0.0028490 k( 73) = ( 0.2717391 0.5000000 0.0000000), wk = 0.0028490 k( 74) = ( 0.2826087 0.5000000 0.0000000), wk = 0.0028490 k( 75) = ( 0.2934783 0.5000000 0.0000000), wk = 0.0028490 k( 76) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0028490 k( 77) = ( 0.3152174 0.5000000 0.0000000), wk = 0.0028490 k( 78) = ( 0.3260870 0.5000000 0.0000000), wk = 0.0028490 k( 79) = ( 0.3369565 0.5000000 -0.0000000), wk = 0.0028490 k( 80) = ( 0.3478261 0.5000000 0.0000000), wk = 0.0028490 k( 81) = ( 0.3586956 0.5000000 0.0000000), wk = 0.0028490 k( 82) = ( 0.3695652 0.5000000 0.0000000), wk = 0.0028490 k( 83) = ( 0.3804348 0.5000000 0.0000000), wk = 0.0028490 k( 84) = ( 0.3913044 0.5000000 0.0000000), wk = 0.0028490 k( 85) = ( 0.4021739 0.5000000 0.0000000), wk = 0.0028490 k( 86) = ( 0.4130435 0.5000000 0.0000000), wk = 0.0028490 k( 87) = ( 0.4239130 0.5000000 0.0000000), wk = 0.0028490 k( 88) = ( 0.4347826 0.5000000 0.0000000), wk = 0.0028490 k( 89) = ( 0.4456522 0.5000000 0.0000000), wk = 0.0028490 k( 90) = ( 0.4565217 0.5000000 0.0000000), wk = 0.0028490 k( 91) = ( 0.4673913 0.5000000 0.0000000), wk = 0.0028490 k( 92) = ( 0.4782609 0.5000000 0.0000000), wk = 0.0028490 k( 93) = ( 0.4891304 0.5000000 0.0000000), wk = 0.0028490 k( 94) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028490 k( 95) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028490 k( 96) = ( 0.4921875 0.4921875 0.0000000), wk = 0.0028490 k( 97) = ( 0.4843750 0.4843750 0.0000000), wk = 0.0028490 k( 98) = ( 0.4765625 0.4765625 0.0000000), wk = 0.0028490 k( 99) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0028490 k( 100) = ( 0.4609375 0.4609375 0.0000000), wk = 0.0028490 k( 101) = ( 0.4531250 0.4531250 0.0000000), wk = 0.0028490 k( 102) = ( 0.4453125 0.4453125 0.0000000), wk = 0.0028490 k( 103) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0028490 k( 104) = ( 0.4296875 0.4296875 0.0000000), wk = 0.0028490 k( 105) = ( 0.4218750 0.4218750 0.0000000), wk = 0.0028490 k( 106) = ( 0.4140625 0.4140625 0.0000000), wk = 0.0028490 k( 107) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0028490 k( 108) = ( 0.3984375 0.3984375 0.0000000), wk = 0.0028490 k( 109) = ( 0.3906250 0.3906250 0.0000000), wk = 0.0028490 k( 110) = ( 0.3828125 0.3828125 0.0000000), wk = 0.0028490 k( 111) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0028490 k( 112) = ( 0.3671875 0.3671875 0.0000000), wk = 0.0028490 k( 113) = ( 0.3593750 0.3593750 0.0000000), wk = 0.0028490 k( 114) = ( 0.3515625 0.3515625 0.0000000), wk = 0.0028490 k( 115) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0028490 k( 116) = ( 0.3359375 0.3359375 0.0000000), wk = 0.0028490 k( 117) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0028490 k( 118) = ( 0.3203125 0.3203125 0.0000000), wk = 0.0028490 k( 119) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0028490 k( 120) = ( 0.3046875 0.3046875 0.0000000), wk = 0.0028490 k( 121) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0028490 k( 122) = ( 0.2890625 0.2890625 0.0000000), wk = 0.0028490 k( 123) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0028490 k( 124) = ( 0.2734375 0.2734375 0.0000000), wk = 0.0028490 k( 125) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0028490 k( 126) = ( 0.2578125 0.2578125 0.0000000), wk = 0.0028490 k( 127) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028490 k( 128) = ( 0.2421875 0.2421875 0.0000000), wk = 0.0028490 k( 129) = ( 0.2343750 0.2343750 0.0000000), wk = 0.0028490 k( 130) = ( 0.2265625 0.2265625 0.0000000), wk = 0.0028490 k( 131) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0028490 k( 132) = ( 0.2109375 0.2109375 0.0000000), wk = 0.0028490 k( 133) = ( 0.2031250 0.2031250 0.0000000), wk = 0.0028490 k( 134) = ( 0.1953125 0.1953125 0.0000000), wk = 0.0028490 k( 135) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0028490 k( 136) = ( 0.1796875 0.1796875 0.0000000), wk = 0.0028490 k( 137) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0028490 k( 138) = ( 0.1640625 0.1640625 0.0000000), wk = 0.0028490 k( 139) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0028490 k( 140) = ( 0.1484375 0.1484375 0.0000000), wk = 0.0028490 k( 141) = ( 0.1406250 0.1406250 0.0000000), wk = 0.0028490 k( 142) = ( 0.1328125 0.1328125 0.0000000), wk = 0.0028490 k( 143) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028490 k( 144) = ( 0.1171875 0.1171875 0.0000000), wk = 0.0028490 k( 145) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0028490 k( 146) = ( 0.1015625 0.1015625 0.0000000), wk = 0.0028490 k( 147) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0028490 k( 148) = ( 0.0859375 0.0859375 0.0000000), wk = 0.0028490 k( 149) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0028490 k( 150) = ( 0.0703125 0.0703125 0.0000000), wk = 0.0028490 k( 151) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0028490 k( 152) = ( 0.0546875 0.0546875 0.0000000), wk = 0.0028490 k( 153) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0028490 k( 154) = ( 0.0390625 0.0390625 0.0000000), wk = 0.0028490 k( 155) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0028490 k( 156) = ( 0.0234375 0.0234375 0.0000000), wk = 0.0028490 k( 157) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0028490 k( 158) = ( 0.0078125 0.0078125 0.0000000), wk = 0.0028490 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 161) = ( 0.0063291 0.0063291 0.0063291), wk = 0.0028490 k( 162) = ( 0.0126582 0.0126582 0.0126582), wk = 0.0028490 k( 163) = ( 0.0189873 0.0189873 0.0189873), wk = 0.0028490 k( 164) = ( 0.0253165 0.0253165 0.0253165), wk = 0.0028490 k( 165) = ( 0.0316456 0.0316456 0.0316456), wk = 0.0028490 k( 166) = ( 0.0379747 0.0379747 0.0379747), wk = 0.0028490 k( 167) = ( 0.0443038 0.0443038 0.0443038), wk = 0.0028490 k( 168) = ( 0.0506329 0.0506329 0.0506329), wk = 0.0028490 k( 169) = ( 0.0569620 0.0569620 0.0569620), wk = 0.0028490 k( 170) = ( 0.0632911 0.0632911 0.0632911), wk = 0.0028490 k( 171) = ( 0.0696202 0.0696202 0.0696202), wk = 0.0028490 k( 172) = ( 0.0759494 0.0759494 0.0759494), wk = 0.0028490 k( 173) = ( 0.0822785 0.0822785 0.0822785), wk = 0.0028490 k( 174) = ( 0.0886076 0.0886076 0.0886076), wk = 0.0028490 k( 175) = ( 0.0949367 0.0949367 0.0949367), wk = 0.0028490 k( 176) = ( 0.1012658 0.1012658 0.1012658), wk = 0.0028490 k( 177) = ( 0.1075949 0.1075949 0.1075949), wk = 0.0028490 k( 178) = ( 0.1139240 0.1139240 0.1139240), wk = 0.0028490 k( 179) = ( 0.1202532 0.1202532 0.1202532), wk = 0.0028490 k( 180) = ( 0.1265823 0.1265823 0.1265823), wk = 0.0028490 k( 181) = ( 0.1329114 0.1329114 0.1329114), wk = 0.0028490 k( 182) = ( 0.1392405 0.1392405 0.1392405), wk = 0.0028490 k( 183) = ( 0.1455696 0.1455696 0.1455696), wk = 0.0028490 k( 184) = ( 0.1518987 0.1518987 0.1518987), wk = 0.0028490 k( 185) = ( 0.1582279 0.1582279 0.1582279), wk = 0.0028490 k( 186) = ( 0.1645570 0.1645570 0.1645570), wk = 0.0028490 k( 187) = ( 0.1708861 0.1708861 0.1708861), wk = 0.0028490 k( 188) = ( 0.1772152 0.1772152 0.1772152), wk = 0.0028490 k( 189) = ( 0.1835443 0.1835443 0.1835443), wk = 0.0028490 k( 190) = ( 0.1898734 0.1898734 0.1898734), wk = 0.0028490 k( 191) = ( 0.1962025 0.1962025 0.1962025), wk = 0.0028490 k( 192) = ( 0.2025317 0.2025317 0.2025317), wk = 0.0028490 k( 193) = ( 0.2088608 0.2088608 0.2088608), wk = 0.0028490 k( 194) = ( 0.2151899 0.2151899 0.2151899), wk = 0.0028490 k( 195) = ( 0.2215190 0.2215190 0.2215190), wk = 0.0028490 k( 196) = ( 0.2278481 0.2278481 0.2278481), wk = 0.0028490 k( 197) = ( 0.2341772 0.2341772 0.2341772), wk = 0.0028490 k( 198) = ( 0.2405063 0.2405063 0.2405063), wk = 0.0028490 k( 199) = ( 0.2468354 0.2468354 0.2468354), wk = 0.0028490 k( 200) = ( 0.2531646 0.2531646 0.2531646), wk = 0.0028490 k( 201) = ( 0.2594937 0.2594937 0.2594937), wk = 0.0028490 k( 202) = ( 0.2658228 0.2658228 0.2658228), wk = 0.0028490 k( 203) = ( 0.2721519 0.2721519 0.2721519), wk = 0.0028490 k( 204) = ( 0.2784810 0.2784810 0.2784810), wk = 0.0028490 k( 205) = ( 0.2848101 0.2848101 0.2848101), wk = 0.0028490 k( 206) = ( 0.2911392 0.2911392 0.2911392), wk = 0.0028490 k( 207) = ( 0.2974683 0.2974683 0.2974683), wk = 0.0028490 k( 208) = ( 0.3037975 0.3037975 0.3037975), wk = 0.0028490 k( 209) = ( 0.3101266 0.3101266 0.3101266), wk = 0.0028490 k( 210) = ( 0.3164557 0.3164557 0.3164557), wk = 0.0028490 k( 211) = ( 0.3227848 0.3227848 0.3227848), wk = 0.0028490 k( 212) = ( 0.3291139 0.3291139 0.3291139), wk = 0.0028490 k( 213) = ( 0.3354430 0.3354430 0.3354430), wk = 0.0028490 k( 214) = ( 0.3417721 0.3417721 0.3417721), wk = 0.0028490 k( 215) = ( 0.3481013 0.3481013 0.3481013), wk = 0.0028490 k( 216) = ( 0.3544304 0.3544304 0.3544304), wk = 0.0028490 k( 217) = ( 0.3607595 0.3607595 0.3607595), wk = 0.0028490 k( 218) = ( 0.3670886 0.3670886 0.3670886), wk = 0.0028490 k( 219) = ( 0.3734177 0.3734177 0.3734177), wk = 0.0028490 k( 220) = ( 0.3797468 0.3797468 0.3797468), wk = 0.0028490 k( 221) = ( 0.3860760 0.3860760 0.3860760), wk = 0.0028490 k( 222) = ( 0.3924051 0.3924051 0.3924051), wk = 0.0028490 k( 223) = ( 0.3987342 0.3987342 0.3987342), wk = 0.0028490 k( 224) = ( 0.4050633 0.4050633 0.4050633), wk = 0.0028490 k( 225) = ( 0.4113924 0.4113924 0.4113924), wk = 0.0028490 k( 226) = ( 0.4177215 0.4177215 0.4177215), wk = 0.0028490 k( 227) = ( 0.4240506 0.4240506 0.4240506), wk = 0.0028490 k( 228) = ( 0.4303798 0.4303798 0.4303798), wk = 0.0028490 k( 229) = ( 0.4367089 0.4367089 0.4367089), wk = 0.0028490 k( 230) = ( 0.4430380 0.4430380 0.4430380), wk = 0.0028490 k( 231) = ( 0.4493671 0.4493671 0.4493671), wk = 0.0028490 k( 232) = ( 0.4556962 0.4556962 0.4556962), wk = 0.0028490 k( 233) = ( 0.4620253 0.4620253 0.4620253), wk = 0.0028490 k( 234) = ( 0.4683544 0.4683544 0.4683544), wk = 0.0028490 k( 235) = ( 0.4746835 0.4746835 0.4746835), wk = 0.0028490 k( 236) = ( 0.4810127 0.4810127 0.4810127), wk = 0.0028490 k( 237) = ( 0.4873418 0.4873418 0.4873418), wk = 0.0028490 k( 238) = ( 0.4936709 0.4936709 0.4936709), wk = 0.0028490 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028490 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028490 k( 241) = ( 0.4921875 0.5000000 0.4921875), wk = 0.0028490 k( 242) = ( 0.4843750 0.5000000 0.4843750), wk = 0.0028490 k( 243) = ( 0.4765625 0.5000000 0.4765625), wk = 0.0028490 k( 244) = ( 0.4687500 0.5000000 0.4687500), wk = 0.0028490 k( 245) = ( 0.4609375 0.5000000 0.4609375), wk = 0.0028490 k( 246) = ( 0.4531250 0.5000000 0.4531250), wk = 0.0028490 k( 247) = ( 0.4453125 0.5000000 0.4453125), wk = 0.0028490 k( 248) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0028490 k( 249) = ( 0.4296875 0.5000000 0.4296875), wk = 0.0028490 k( 250) = ( 0.4218750 0.5000000 0.4218750), wk = 0.0028490 k( 251) = ( 0.4140625 0.5000000 0.4140625), wk = 0.0028490 k( 252) = ( 0.4062500 0.5000000 0.4062500), wk = 0.0028490 k( 253) = ( 0.3984375 0.5000000 0.3984375), wk = 0.0028490 k( 254) = ( 0.3906250 0.5000000 0.3906250), wk = 0.0028490 k( 255) = ( 0.3828125 0.5000000 0.3828125), wk = 0.0028490 k( 256) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0028490 k( 257) = ( 0.3671875 0.5000000 0.3671875), wk = 0.0028490 k( 258) = ( 0.3593750 0.5000000 0.3593750), wk = 0.0028490 k( 259) = ( 0.3515625 0.5000000 0.3515625), wk = 0.0028490 k( 260) = ( 0.3437500 0.5000000 0.3437500), wk = 0.0028490 k( 261) = ( 0.3359375 0.5000000 0.3359375), wk = 0.0028490 k( 262) = ( 0.3281250 0.5000000 0.3281250), wk = 0.0028490 k( 263) = ( 0.3203125 0.5000000 0.3203125), wk = 0.0028490 k( 264) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0028490 k( 265) = ( 0.3046875 0.5000000 0.3046875), wk = 0.0028490 k( 266) = ( 0.2968750 0.5000000 0.2968750), wk = 0.0028490 k( 267) = ( 0.2890625 0.5000000 0.2890625), wk = 0.0028490 k( 268) = ( 0.2812500 0.5000000 0.2812500), wk = 0.0028490 k( 269) = ( 0.2734375 0.5000000 0.2734375), wk = 0.0028490 k( 270) = ( 0.2656250 0.5000000 0.2656250), wk = 0.0028490 k( 271) = ( 0.2578125 0.5000000 0.2578125), wk = 0.0028490 k( 272) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0028490 k( 273) = ( 0.2421875 0.5000000 0.2421875), wk = 0.0028490 k( 274) = ( 0.2343750 0.5000000 0.2343750), wk = 0.0028490 k( 275) = ( 0.2265625 0.5000000 0.2265625), wk = 0.0028490 k( 276) = ( 0.2187500 0.5000000 0.2187500), wk = 0.0028490 k( 277) = ( 0.2109375 0.5000000 0.2109375), wk = 0.0028490 k( 278) = ( 0.2031250 0.5000000 0.2031250), wk = 0.0028490 k( 279) = ( 0.1953125 0.5000000 0.1953125), wk = 0.0028490 k( 280) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0028490 k( 281) = ( 0.1796875 0.5000000 0.1796875), wk = 0.0028490 k( 282) = ( 0.1718750 0.5000000 0.1718750), wk = 0.0028490 k( 283) = ( 0.1640625 0.5000000 0.1640625), wk = 0.0028490 k( 284) = ( 0.1562500 0.5000000 0.1562500), wk = 0.0028490 k( 285) = ( 0.1484375 0.5000000 0.1484375), wk = 0.0028490 k( 286) = ( 0.1406250 0.5000000 0.1406250), wk = 0.0028490 k( 287) = ( 0.1328125 0.5000000 0.1328125), wk = 0.0028490 k( 288) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0028490 k( 289) = ( 0.1171875 0.5000000 0.1171875), wk = 0.0028490 k( 290) = ( 0.1093750 0.5000000 0.1093750), wk = 0.0028490 k( 291) = ( 0.1015625 0.5000000 0.1015625), wk = 0.0028490 k( 292) = ( 0.0937500 0.5000000 0.0937500), wk = 0.0028490 k( 293) = ( 0.0859375 0.5000000 0.0859375), wk = 0.0028490 k( 294) = ( 0.0781250 0.5000000 0.0781250), wk = 0.0028490 k( 295) = ( 0.0703125 0.5000000 0.0703125), wk = 0.0028490 k( 296) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0028490 k( 297) = ( 0.0546875 0.5000000 0.0546875), wk = 0.0028490 k( 298) = ( 0.0468750 0.5000000 0.0468750), wk = 0.0028490 k( 299) = ( 0.0390625 0.5000000 0.0390625), wk = 0.0028490 k( 300) = ( 0.0312500 0.5000000 0.0312500), wk = 0.0028490 k( 301) = ( 0.0234375 0.5000000 0.0234375), wk = 0.0028490 k( 302) = ( 0.0156250 0.5000000 0.0156250), wk = 0.0028490 k( 303) = ( 0.0078125 0.5000000 0.0078125), wk = 0.0028490 k( 304) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028490 k( 305) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028490 k( 306) = ( 0.5000000 0.5000000 0.0108696), wk = 0.0028490 k( 307) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0028490 k( 308) = ( 0.5000000 0.5000000 0.0326087), wk = 0.0028490 k( 309) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0028490 k( 310) = ( 0.5000000 0.5000000 0.0543478), wk = 0.0028490 k( 311) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0028490 k( 312) = ( 0.5000000 0.5000000 0.0760870), wk = 0.0028490 k( 313) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0028490 k( 314) = ( 0.5000000 0.5000000 0.0978261), wk = 0.0028490 k( 315) = ( 0.5000000 0.5000000 0.1086957), wk = 0.0028490 k( 316) = ( 0.5000000 0.5000000 0.1195652), wk = 0.0028490 k( 317) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0028490 k( 318) = ( 0.5000000 0.5000000 0.1413043), wk = 0.0028490 k( 319) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0028490 k( 320) = ( 0.5000000 0.5000000 0.1630435), wk = 0.0028490 k( 321) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0028490 k( 322) = ( 0.5000000 0.5000000 0.1847826), wk = 0.0028490 k( 323) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0028490 k( 324) = ( 0.5000000 0.5000000 0.2065217), wk = 0.0028490 k( 325) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0028490 k( 326) = ( 0.5000000 0.5000000 0.2282609), wk = 0.0028490 k( 327) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0028490 k( 328) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028490 k( 329) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0028490 k( 330) = ( 0.5000000 0.5000000 0.2717391), wk = 0.0028490 k( 331) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0028490 k( 332) = ( 0.5000000 0.5000000 0.2934783), wk = 0.0028490 k( 333) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0028490 k( 334) = ( 0.5000000 0.5000000 0.3152174), wk = 0.0028490 k( 335) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0028490 k( 336) = ( 0.5000000 0.5000000 0.3369565), wk = 0.0028490 k( 337) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0028490 k( 338) = ( 0.5000000 0.5000000 0.3586956), wk = 0.0028490 k( 339) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0028490 k( 340) = ( 0.5000000 0.5000000 0.3804348), wk = 0.0028490 k( 341) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0028490 k( 342) = ( 0.5000000 0.5000000 0.4021739), wk = 0.0028490 k( 343) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0028490 k( 344) = ( 0.5000000 0.5000000 0.4239130), wk = 0.0028490 k( 345) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0028490 k( 346) = ( 0.5000000 0.5000000 0.4456522), wk = 0.0028490 k( 347) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0028490 k( 348) = ( 0.5000000 0.5000000 0.4673913), wk = 0.0028490 k( 349) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0028490 k( 350) = ( 0.5000000 0.5000000 0.4891304), wk = 0.0028490 k( 351) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028490 Dense grid: 19933 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 11981 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 92, 30) NL pseudopotentials 0.05 Mb ( 46, 68) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 555) G-vector shells 0.00 Mb ( 148) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 92, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./YCu.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 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.5 secs Computing kpt #: 6 total cpu time spent up to now is 2.6 secs Computing kpt #: 7 total cpu time spent up to now is 2.7 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 2.9 secs Computing kpt #: 10 total cpu time spent up to now is 3.0 secs Computing kpt #: 11 total cpu time spent up to now is 3.1 secs Computing kpt #: 12 total cpu time spent up to now is 3.2 secs Computing kpt #: 13 total cpu time spent up to now is 3.3 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 4.0 secs Computing kpt #: 22 total cpu time spent up to now is 4.1 secs Computing kpt #: 23 total cpu time spent up to now is 4.2 secs Computing kpt #: 24 total cpu time spent up to now is 4.3 secs Computing kpt #: 25 total cpu time spent up to now is 4.4 secs Computing kpt #: 26 total cpu time spent up to now is 4.4 secs Computing kpt #: 27 total cpu time spent up to now is 4.6 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.8 secs Computing kpt #: 30 total cpu time spent up to now is 4.8 secs Computing kpt #: 31 total cpu time spent up to now is 4.9 secs Computing kpt #: 32 total cpu time spent up to now is 5.0 secs Computing kpt #: 33 total cpu time spent up to now is 5.1 secs Computing kpt #: 34 total cpu time spent up to now is 5.2 secs Computing kpt #: 35 total cpu time spent up to now is 5.3 secs Computing kpt #: 36 total cpu time spent up to now is 5.4 secs Computing kpt #: 37 total cpu time spent up to now is 5.5 secs Computing kpt #: 38 total cpu time spent up to now is 5.6 secs Computing kpt #: 39 total cpu time spent up to now is 5.7 secs Computing kpt #: 40 total cpu time spent up to now is 5.8 secs Computing kpt #: 41 total cpu time spent up to now is 5.9 secs Computing kpt #: 42 total cpu time spent up to now is 6.0 secs Computing kpt #: 43 total cpu time spent up to now is 6.0 secs Computing kpt #: 44 total cpu time spent up to now is 6.1 secs Computing kpt #: 45 total cpu time spent up to now is 6.3 secs Computing kpt #: 46 total cpu time spent up to now is 6.4 secs Computing kpt #: 47 total cpu time spent up to now is 6.5 secs Computing kpt #: 48 total cpu time spent up to now is 6.6 secs Computing kpt #: 49 total cpu time spent up to now is 6.7 secs Computing kpt #: 50 total cpu time spent up to now is 6.8 secs Computing kpt #: 51 total cpu time spent up to now is 6.9 secs Computing kpt #: 52 total cpu time spent up to now is 6.9 secs Computing kpt #: 53 total cpu time spent up to now is 7.0 secs Computing kpt #: 54 total cpu time spent up to now is 7.1 secs Computing kpt #: 55 total cpu time spent up to now is 7.2 secs Computing kpt #: 56 total cpu time spent up to now is 7.3 secs Computing kpt #: 57 total cpu time spent up to now is 7.4 secs Computing kpt #: 58 total cpu time spent up to now is 7.5 secs Computing kpt #: 59 total cpu time spent up to now is 7.6 secs Computing kpt #: 60 total cpu time spent up to now is 7.7 secs Computing kpt #: 61 total cpu time spent up to now is 7.8 secs Computing kpt #: 62 total cpu time spent up to now is 7.8 secs Computing kpt #: 63 total cpu time spent up to now is 7.9 secs Computing kpt #: 64 total cpu time spent up to now is 8.0 secs Computing kpt #: 65 total cpu time spent up to now is 8.1 secs Computing kpt #: 66 total cpu time spent up to now is 8.2 secs Computing kpt #: 67 total cpu time spent up to now is 8.3 secs Computing kpt #: 68 total cpu time spent up to now is 8.4 secs Computing kpt #: 69 total cpu time spent up to now is 8.5 secs Computing kpt #: 70 total cpu time spent up to now is 8.6 secs Computing kpt #: 71 total cpu time spent up to now is 8.7 secs Computing kpt #: 72 total cpu time spent up to now is 8.8 secs Computing kpt #: 73 total cpu time spent up to now is 8.8 secs Computing kpt #: 74 total cpu time spent up to now is 8.9 secs Computing kpt #: 75 total cpu time spent up to now is 9.0 secs Computing kpt #: 76 total cpu time spent up to now is 9.1 secs Computing kpt #: 77 total cpu time spent up to now is 9.2 secs Computing kpt #: 78 total cpu time spent up to now is 9.3 secs Computing kpt #: 79 total cpu time spent up to now is 9.4 secs Computing kpt #: 80 total cpu time spent up to now is 9.5 secs Computing kpt #: 81 total cpu time spent up to now is 9.6 secs Computing kpt #: 82 total cpu time spent up to now is 9.7 secs Computing kpt #: 83 total cpu time spent up to now is 9.7 secs Computing kpt #: 84 total cpu time spent up to now is 9.8 secs Computing kpt #: 85 total cpu time spent up to now is 9.9 secs Computing kpt #: 86 total cpu time spent up to now is 10.0 secs Computing kpt #: 87 total cpu time spent up to now is 10.1 secs Computing kpt #: 88 total cpu time spent up to now is 10.2 secs Computing kpt #: 89 total cpu time spent up to now is 10.3 secs Computing kpt #: 90 total cpu time spent up to now is 10.4 secs Computing kpt #: 91 total cpu time spent up to now is 10.5 secs Computing kpt #: 92 total cpu time spent up to now is 10.5 secs Computing kpt #: 93 total cpu time spent up to now is 10.6 secs Computing kpt #: 94 total cpu time spent up to now is 10.7 secs Computing kpt #: 95 total cpu time spent up to now is 10.8 secs Computing kpt #: 96 total cpu time spent up to now is 10.9 secs Computing kpt #: 97 total cpu time spent up to now is 11.0 secs Computing kpt #: 98 total cpu time spent up to now is 11.1 secs Computing kpt #: 99 total cpu time spent up to now is 11.2 secs Computing kpt #: 100 total cpu time spent up to now is 11.3 secs Computing kpt #: 101 total cpu time spent up to now is 11.3 secs Computing kpt #: 102 total cpu time spent up to now is 11.4 secs Computing kpt #: 103 total cpu time spent up to now is 11.5 secs Computing kpt #: 104 total cpu time spent up to now is 11.6 secs Computing kpt #: 105 total cpu time spent up to now is 11.7 secs Computing kpt #: 106 total cpu time spent up to now is 11.8 secs Computing kpt #: 107 total cpu time spent up to now is 11.9 secs Computing kpt #: 108 total cpu time spent up to now is 12.0 secs Computing kpt #: 109 total cpu time spent up to now is 12.1 secs Computing kpt #: 110 total cpu time spent up to now is 12.2 secs Computing kpt #: 111 total cpu time spent up to now is 12.3 secs Computing kpt #: 112 total cpu time spent up to now is 12.4 secs Computing kpt #: 113 total cpu time spent up to now is 12.5 secs Computing kpt #: 114 total cpu time spent up to now is 12.5 secs Computing kpt #: 115 total cpu time spent up to now is 12.6 secs Computing kpt #: 116 total cpu time spent up to now is 12.7 secs Computing kpt #: 117 total cpu time spent up to now is 12.8 secs Computing kpt #: 118 total cpu time spent up to now is 12.9 secs Computing kpt #: 119 total cpu time spent up to now is 13.0 secs Computing kpt #: 120 total cpu time spent up to now is 13.1 secs Computing kpt #: 121 total cpu time spent up to now is 13.2 secs Computing kpt #: 122 total cpu time spent up to now is 13.3 secs Computing kpt #: 123 total cpu time spent up to now is 13.4 secs Computing kpt #: 124 total cpu time spent up to now is 13.4 secs Computing kpt #: 125 total cpu time spent up to now is 13.5 secs Computing kpt #: 126 total cpu time spent up to now is 13.6 secs Computing kpt #: 127 total cpu time spent up to now is 13.7 secs Computing kpt #: 128 total cpu time spent up to now is 13.8 secs Computing kpt #: 129 total cpu time spent up to now is 13.9 secs Computing kpt #: 130 total cpu time spent up to now is 14.0 secs Computing kpt #: 131 total cpu time spent up to now is 14.1 secs Computing kpt #: 132 total cpu time spent up to now is 14.2 secs Computing kpt #: 133 total cpu time spent up to now is 14.3 secs Computing kpt #: 134 total cpu time spent up to now is 14.4 secs Computing kpt #: 135 total cpu time spent up to now is 14.4 secs Computing kpt #: 136 total cpu time spent up to now is 14.5 secs Computing kpt #: 137 total cpu time spent up to now is 14.6 secs Computing kpt #: 138 total cpu time spent up to now is 14.7 secs Computing kpt #: 139 total cpu time spent up to now is 14.8 secs Computing kpt #: 140 total cpu time spent up to now is 14.9 secs Computing kpt #: 141 total cpu time spent up to now is 15.0 secs Computing kpt #: 142 total cpu time spent up to now is 15.2 secs Computing kpt #: 143 total cpu time spent up to now is 15.3 secs Computing kpt #: 144 total cpu time spent up to now is 15.4 secs Computing kpt #: 145 total cpu time spent up to now is 15.5 secs Computing kpt #: 146 total cpu time spent up to now is 15.6 secs Computing kpt #: 147 total cpu time spent up to now is 15.7 secs Computing kpt #: 148 total cpu time spent up to now is 15.8 secs Computing kpt #: 149 total cpu time spent up to now is 15.9 secs Computing kpt #: 150 total cpu time spent up to now is 16.0 secs Computing kpt #: 151 total cpu time spent up to now is 16.1 secs Computing kpt #: 152 total cpu time spent up to now is 16.2 secs Computing kpt #: 153 total cpu time spent up to now is 16.2 secs Computing kpt #: 154 total cpu time spent up to now is 16.3 secs Computing kpt #: 155 total cpu time spent up to now is 16.4 secs Computing kpt #: 156 total cpu time spent up to now is 16.5 secs Computing kpt #: 157 total cpu time spent up to now is 16.6 secs Computing kpt #: 158 total cpu time spent up to now is 16.7 secs Computing kpt #: 159 total cpu time spent up to now is 16.8 secs Computing kpt #: 160 total cpu time spent up to now is 16.9 secs Computing kpt #: 161 total cpu time spent up to now is 17.0 secs Computing kpt #: 162 total cpu time spent up to now is 17.1 secs Computing kpt #: 163 total cpu time spent up to now is 17.2 secs Computing kpt #: 164 total cpu time spent up to now is 17.3 secs Computing kpt #: 165 total cpu time spent up to now is 17.4 secs Computing kpt #: 166 total cpu time spent up to now is 17.5 secs Computing kpt #: 167 total cpu time spent up to now is 17.6 secs Computing kpt #: 168 total cpu time spent up to now is 17.7 secs Computing kpt #: 169 total cpu time spent up to now is 17.8 secs Computing kpt #: 170 total cpu time spent up to now is 17.9 secs Computing kpt #: 171 total cpu time spent up to now is 18.0 secs Computing kpt #: 172 total cpu time spent up to now is 18.1 secs Computing kpt #: 173 total cpu time spent up to now is 18.2 secs Computing kpt #: 174 total cpu time spent up to now is 18.3 secs Computing kpt #: 175 total cpu time spent up to now is 18.4 secs Computing kpt #: 176 total cpu time spent up to now is 18.5 secs Computing kpt #: 177 total cpu time spent up to now is 18.6 secs Computing kpt #: 178 total cpu time spent up to now is 18.7 secs Computing kpt #: 179 total cpu time spent up to now is 18.8 secs Computing kpt #: 180 total cpu time spent up to now is 18.9 secs Computing kpt #: 181 total cpu time spent up to now is 19.0 secs Computing kpt #: 182 total cpu time spent up to now is 19.1 secs Computing kpt #: 183 total cpu time spent up to now is 19.1 secs Computing kpt #: 184 total cpu time spent up to now is 19.2 secs Computing kpt #: 185 total cpu time spent up to now is 19.3 secs Computing kpt #: 186 total cpu time spent up to now is 19.4 secs Computing kpt #: 187 total cpu time spent up to now is 19.5 secs Computing kpt #: 188 total cpu time spent up to now is 19.6 secs Computing kpt #: 189 total cpu time spent up to now is 19.7 secs Computing kpt #: 190 total cpu time spent up to now is 19.8 secs Computing kpt #: 191 total cpu time spent up to now is 19.9 secs Computing kpt #: 192 total cpu time spent up to now is 20.0 secs Computing kpt #: 193 total cpu time spent up to now is 20.1 secs Computing kpt #: 194 total cpu time spent up to now is 20.1 secs Computing kpt #: 195 total cpu time spent up to now is 20.2 secs Computing kpt #: 196 total cpu time spent up to now is 20.3 secs Computing kpt #: 197 total cpu time spent up to now is 20.4 secs Computing kpt #: 198 total cpu time spent up to now is 20.5 secs Computing kpt #: 199 total cpu time spent up to now is 20.6 secs Computing kpt #: 200 total cpu time spent up to now is 20.7 secs Computing kpt #: 201 total cpu time spent up to now is 20.8 secs Computing kpt #: 202 total cpu time spent up to now is 20.9 secs Computing kpt #: 203 total cpu time spent up to now is 21.0 secs Computing kpt #: 204 total cpu time spent up to now is 21.0 secs Computing kpt #: 205 total cpu time spent up to now is 21.1 secs Computing kpt #: 206 total cpu time spent up to now is 21.2 secs Computing kpt #: 207 total cpu time spent up to now is 21.3 secs Computing kpt #: 208 total cpu time spent up to now is 21.4 secs Computing kpt #: 209 total cpu time spent up to now is 21.5 secs Computing kpt #: 210 total cpu time spent up to now is 21.6 secs Computing kpt #: 211 total cpu time spent up to now is 21.7 secs Computing kpt #: 212 total cpu time spent up to now is 21.8 secs Computing kpt #: 213 total cpu time spent up to now is 21.9 secs Computing kpt #: 214 total cpu time spent up to now is 22.0 secs Computing kpt #: 215 total cpu time spent up to now is 22.1 secs Computing kpt #: 216 total cpu time spent up to now is 22.2 secs Computing kpt #: 217 total cpu time spent up to now is 22.3 secs Computing kpt #: 218 total cpu time spent up to now is 22.4 secs Computing kpt #: 219 total cpu time spent up to now is 22.5 secs Computing kpt #: 220 total cpu time spent up to now is 22.6 secs Computing kpt #: 221 total cpu time spent up to now is 22.7 secs Computing kpt #: 222 total cpu time spent up to now is 22.8 secs Computing kpt #: 223 total cpu time spent up to now is 22.9 secs Computing kpt #: 224 total cpu time spent up to now is 23.0 secs Computing kpt #: 225 total cpu time spent up to now is 23.2 secs Computing kpt #: 226 total cpu time spent up to now is 23.3 secs Computing kpt #: 227 total cpu time spent up to now is 23.4 secs Computing kpt #: 228 total cpu time spent up to now is 23.5 secs Computing kpt #: 229 total cpu time spent up to now is 23.6 secs Computing kpt #: 230 total cpu time spent up to now is 23.8 secs Computing kpt #: 231 total cpu time spent up to now is 23.9 secs Computing kpt #: 232 total cpu time spent up to now is 24.0 secs Computing kpt #: 233 total cpu time spent up to now is 24.1 secs Computing kpt #: 234 total cpu time spent up to now is 24.2 secs Computing kpt #: 235 total cpu time spent up to now is 24.3 secs Computing kpt #: 236 total cpu time spent up to now is 24.5 secs Computing kpt #: 237 total cpu time spent up to now is 24.6 secs Computing kpt #: 238 total cpu time spent up to now is 24.8 secs Computing kpt #: 239 total cpu time spent up to now is 25.0 secs Computing kpt #: 240 total cpu time spent up to now is 25.1 secs Computing kpt #: 241 total cpu time spent up to now is 25.3 secs Computing kpt #: 242 total cpu time spent up to now is 25.4 secs Computing kpt #: 243 total cpu time spent up to now is 25.6 secs Computing kpt #: 244 total cpu time spent up to now is 25.7 secs Computing kpt #: 245 total cpu time spent up to now is 25.8 secs Computing kpt #: 246 total cpu time spent up to now is 26.0 secs Computing kpt #: 247 total cpu time spent up to now is 26.1 secs Computing kpt #: 248 total cpu time spent up to now is 26.2 secs Computing kpt #: 249 total cpu time spent up to now is 26.3 secs Computing kpt #: 250 total cpu time spent up to now is 26.5 secs Computing kpt #: 251 total cpu time spent up to now is 26.6 secs Computing kpt #: 252 total cpu time spent up to now is 26.7 secs Computing kpt #: 253 total cpu time spent up to now is 26.8 secs Computing kpt #: 254 total cpu time spent up to now is 26.9 secs Computing kpt #: 255 total cpu time spent up to now is 27.0 secs Computing kpt #: 256 total cpu time spent up to now is 27.1 secs Computing kpt #: 257 total cpu time spent up to now is 27.3 secs Computing kpt #: 258 total cpu time spent up to now is 27.4 secs Computing kpt #: 259 total cpu time spent up to now is 27.5 secs Computing kpt #: 260 total cpu time spent up to now is 27.6 secs Computing kpt #: 261 total cpu time spent up to now is 27.7 secs Computing kpt #: 262 total cpu time spent up to now is 27.8 secs Computing kpt #: 263 total cpu time spent up to now is 27.9 secs Computing kpt #: 264 total cpu time spent up to now is 28.0 secs Computing kpt #: 265 total cpu time spent up to now is 28.2 secs Computing kpt #: 266 total cpu time spent up to now is 28.3 secs Computing kpt #: 267 total cpu time spent up to now is 28.4 secs Computing kpt #: 268 total cpu time spent up to now is 28.5 secs Computing kpt #: 269 total cpu time spent up to now is 28.6 secs Computing kpt #: 270 total cpu time spent up to now is 28.7 secs Computing kpt #: 271 total cpu time spent up to now is 28.8 secs Computing kpt #: 272 total cpu time spent up to now is 28.9 secs Computing kpt #: 273 total cpu time spent up to now is 29.0 secs Computing kpt #: 274 total cpu time spent up to now is 29.1 secs Computing kpt #: 275 total cpu time spent up to now is 29.2 secs Computing kpt #: 276 total cpu time spent up to now is 29.3 secs Computing kpt #: 277 total cpu time spent up to now is 29.4 secs Computing kpt #: 278 total cpu time spent up to now is 29.5 secs Computing kpt #: 279 total cpu time spent up to now is 29.6 secs Computing kpt #: 280 total cpu time spent up to now is 29.7 secs Computing kpt #: 281 total cpu time spent up to now is 29.8 secs Computing kpt #: 282 total cpu time spent up to now is 29.9 secs Computing kpt #: 283 total cpu time spent up to now is 29.9 secs Computing kpt #: 284 total cpu time spent up to now is 30.0 secs Computing kpt #: 285 total cpu time spent up to now is 30.1 secs Computing kpt #: 286 total cpu time spent up to now is 30.2 secs Computing kpt #: 287 total cpu time spent up to now is 30.3 secs Computing kpt #: 288 total cpu time spent up to now is 30.4 secs Computing kpt #: 289 total cpu time spent up to now is 30.5 secs Computing kpt #: 290 total cpu time spent up to now is 30.6 secs Computing kpt #: 291 total cpu time spent up to now is 30.7 secs Computing kpt #: 292 total cpu time spent up to now is 30.8 secs Computing kpt #: 293 total cpu time spent up to now is 30.9 secs Computing kpt #: 294 total cpu time spent up to now is 31.0 secs Computing kpt #: 295 total cpu time spent up to now is 31.0 secs Computing kpt #: 296 total cpu time spent up to now is 31.1 secs Computing kpt #: 297 total cpu time spent up to now is 31.2 secs Computing kpt #: 298 total cpu time spent up to now is 31.3 secs Computing kpt #: 299 total cpu time spent up to now is 31.4 secs Computing kpt #: 300 total cpu time spent up to now is 31.5 secs Computing kpt #: 301 total cpu time spent up to now is 31.6 secs Computing kpt #: 302 total cpu time spent up to now is 31.7 secs Computing kpt #: 303 total cpu time spent up to now is 31.8 secs Computing kpt #: 304 total cpu time spent up to now is 31.9 secs Computing kpt #: 305 total cpu time spent up to now is 31.9 secs Computing kpt #: 306 total cpu time spent up to now is 32.0 secs Computing kpt #: 307 total cpu time spent up to now is 32.1 secs Computing kpt #: 308 total cpu time spent up to now is 32.2 secs Computing kpt #: 309 total cpu time spent up to now is 32.3 secs Computing kpt #: 310 total cpu time spent up to now is 32.4 secs Computing kpt #: 311 total cpu time spent up to now is 32.5 secs Computing kpt #: 312 total cpu time spent up to now is 32.6 secs Computing kpt #: 313 total cpu time spent up to now is 32.7 secs Computing kpt #: 314 total cpu time spent up to now is 32.8 secs Computing kpt #: 315 total cpu time spent up to now is 32.9 secs Computing kpt #: 316 total cpu time spent up to now is 33.0 secs Computing kpt #: 317 total cpu time spent up to now is 33.1 secs Computing kpt #: 318 total cpu time spent up to now is 33.2 secs Computing kpt #: 319 total cpu time spent up to now is 33.3 secs Computing kpt #: 320 total cpu time spent up to now is 33.4 secs Computing kpt #: 321 total cpu time spent up to now is 33.4 secs Computing kpt #: 322 total cpu time spent up to now is 33.5 secs Computing kpt #: 323 total cpu time spent up to now is 33.6 secs Computing kpt #: 324 total cpu time spent up to now is 33.8 secs Computing kpt #: 325 total cpu time spent up to now is 33.9 secs Computing kpt #: 326 total cpu time spent up to now is 34.1 secs Computing kpt #: 327 total cpu time spent up to now is 34.2 secs Computing kpt #: 328 total cpu time spent up to now is 34.4 secs Computing kpt #: 329 total cpu time spent up to now is 34.6 secs Computing kpt #: 330 total cpu time spent up to now is 34.8 secs Computing kpt #: 331 total cpu time spent up to now is 35.0 secs Computing kpt #: 332 total cpu time spent up to now is 35.3 secs Computing kpt #: 333 total cpu time spent up to now is 35.4 secs Computing kpt #: 334 total cpu time spent up to now is 35.7 secs Computing kpt #: 335 total cpu time spent up to now is 35.9 secs Computing kpt #: 336 total cpu time spent up to now is 36.2 secs Computing kpt #: 337 total cpu time spent up to now is 36.4 secs Computing kpt #: 338 total cpu time spent up to now is 36.6 secs Computing kpt #: 339 total cpu time spent up to now is 36.8 secs Computing kpt #: 340 total cpu time spent up to now is 37.0 secs Computing kpt #: 341 total cpu time spent up to now is 37.2 secs Computing kpt #: 342 total cpu time spent up to now is 37.4 secs Computing kpt #: 343 total cpu time spent up to now is 37.6 secs Computing kpt #: 344 total cpu time spent up to now is 37.8 secs Computing kpt #: 345 total cpu time spent up to now is 38.0 secs Computing kpt #: 346 total cpu time spent up to now is 38.1 secs Computing kpt #: 347 total cpu time spent up to now is 38.3 secs Computing kpt #: 348 total cpu time spent up to now is 38.4 secs Computing kpt #: 349 total cpu time spent up to now is 38.5 secs Computing kpt #: 350 total cpu time spent up to now is 38.7 secs Computing kpt #: 351 total cpu time spent up to now is 38.8 secs ethr = 4.55E-08, avg # of iterations = 12.3 total cpu time spent up to now is 38.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1503 PWs) bands (ev): -31.5033 -31.5033 -12.3263 -12.3263 -10.8675 -10.8675 -10.8675 -10.8675 4.7241 4.7241 7.6219 7.6219 7.6219 7.6219 8.3235 8.3235 8.3235 8.3235 8.4718 8.4718 11.6654 11.6654 11.6654 11.6654 15.8355 15.8355 15.8355 15.8355 15.9262 15.9262 k = 0.0000 0.0109-0.0000 ( 1503 PWs) bands (ev): -31.5033 -31.5033 -12.3265 -12.3265 -10.8678 -10.8678 -10.8674 -10.8674 4.7261 4.7261 7.6223 7.6223 7.6225 7.6225 8.3234 8.3234 8.3236 8.3236 8.4718 8.4718 11.6653 11.6653 11.6656 11.6656 15.8217 15.8217 15.8311 15.8311 15.9179 15.9179 k = 0.0000 0.0217-0.0000 ( 1503 PWs) bands (ev): -31.5032 -31.5032 -12.3269 -12.3269 -10.8689 -10.8689 -10.8673 -10.8673 4.7319 4.7319 7.6235 7.6235 7.6242 7.6242 8.3233 8.3233 8.3237 8.3237 8.4718 8.4718 11.6650 11.6650 11.6663 11.6663 15.7822 15.7822 15.8133 15.8133 15.8992 15.8992 k = 0.0000 0.0326-0.0000 ( 1499 PWs) bands (ev): -31.5030 -31.5030 -12.3275 -12.3275 -10.8707 -10.8707 -10.8671 -10.8671 4.7416 4.7416 7.6254 7.6254 7.6272 7.6272 8.3230 8.3230 8.3240 8.3240 8.4717 8.4717 11.6645 11.6645 11.6674 11.6674 15.7220 15.7220 15.7724 15.7724 15.8837 15.8837 k = 0.0000 0.0435-0.0000 ( 1487 PWs) bands (ev): -31.5027 -31.5027 -12.3284 -12.3284 -10.8731 -10.8731 -10.8667 -10.8667 4.7551 4.7551 7.6282 7.6282 7.6312 7.6312 8.3229 8.3229 8.3245 8.3245 8.4718 8.4718 11.6638 11.6638 11.6688 11.6688 15.6463 15.6463 15.7085 15.7085 15.8757 15.8757 k = 0.0000 0.0543-0.0000 ( 1483 PWs) bands (ev): -31.5024 -31.5024 -12.3295 -12.3295 -10.8762 -10.8762 -10.8663 -10.8663 4.7725 4.7725 7.6318 7.6318 7.6361 7.6361 8.3225 8.3225 8.3250 8.3250 8.4718 8.4718 11.6629 11.6629 11.6701 11.6701 15.5600 15.5600 15.6293 15.6293 15.8718 15.8718 k = 0.0000 0.0652-0.0000 ( 1483 PWs) bands (ev): -31.5020 -31.5020 -12.3309 -12.3309 -10.8801 -10.8801 -10.8658 -10.8658 4.7937 4.7937 7.6360 7.6360 7.6423 7.6423 8.3219 8.3219 8.3257 8.3257 8.4717 8.4717 11.6617 11.6617 11.6713 11.6713 15.4665 15.4665 15.5405 15.5405 15.8696 15.8696 k = 0.0000 0.0761-0.0000 ( 1483 PWs) bands (ev): -31.5015 -31.5015 -12.3325 -12.3325 -10.8845 -10.8845 -10.8652 -10.8652 4.8186 4.8186 7.6411 7.6411 7.6495 7.6495 8.3213 8.3213 8.3263 8.3263 8.4715 8.4715 11.6604 11.6604 11.6721 11.6721 15.3684 15.3684 15.4456 15.4456 15.8682 15.8682 k = 0.0000 0.0870-0.0000 ( 1483 PWs) bands (ev): -31.5009 -31.5009 -12.3344 -12.3344 -10.8895 -10.8895 -10.8646 -10.8646 4.8473 4.8473 7.6468 7.6468 7.6577 7.6577 8.3205 8.3205 8.3271 8.3271 8.4714 8.4714 11.6589 11.6589 11.6721 11.6721 15.2676 15.2676 15.3469 15.3469 15.8673 15.8673 k = 0.0000 0.0978-0.0000 ( 1482 PWs) bands (ev): -31.5003 -31.5003 -12.3366 -12.3366 -10.8951 -10.8951 -10.8639 -10.8639 4.8797 4.8797 7.6533 7.6533 7.6668 7.6668 8.3197 8.3197 8.3279 8.3279 8.4712 8.4712 11.6572 11.6572 11.6710 11.6710 15.1652 15.1652 15.2459 15.2459 15.8665 15.8665 k = 0.0000 0.1087-0.0000 ( 1482 PWs) bands (ev): -31.4996 -31.4996 -12.3390 -12.3390 -10.9012 -10.9012 -10.8630 -10.8630 4.9157 4.9157 7.6604 7.6604 7.6768 7.6768 8.3188 8.3188 8.3287 8.3287 8.4711 8.4711 11.6552 11.6552 11.6683 11.6683 15.0622 15.0622 15.1437 15.1437 15.8658 15.8658 k = 0.0000 0.1196-0.0000 ( 1474 PWs) bands (ev): -31.4989 -31.4989 -12.3416 -12.3416 -10.9078 -10.9078 -10.8622 -10.8622 4.9553 4.9553 7.6682 7.6682 7.6878 7.6878 8.3180 8.3180 8.3297 8.3297 8.4710 8.4710 11.6531 11.6531 11.6635 11.6635 14.9593 14.9593 15.0412 15.0412 15.8653 15.8653 k = 0.0000 0.1304-0.0000 ( 1474 PWs) bands (ev): -31.4981 -31.4981 -12.3444 -12.3444 -10.9148 -10.9148 -10.8612 -10.8612 4.9985 4.9985 7.6766 7.6766 7.6993 7.6993 8.3170 8.3170 8.3307 8.3307 8.4709 8.4709 11.6508 11.6508 11.6561 11.6561 14.8570 14.8570 14.9389 14.9389 15.8647 15.8647 k = 0.0000 0.1413-0.0000 ( 1478 PWs) bands (ev): -31.4973 -31.4973 -12.3475 -12.3475 -10.9223 -10.9223 -10.8602 -10.8602 5.0451 5.0451 7.6856 7.6856 7.7114 7.7114 8.3159 8.3159 8.3317 8.3317 8.4708 8.4708 11.6455 11.6455 11.6484 11.6484 14.7557 14.7557 14.8373 14.8373 15.8642 15.8642 k = 0.0000 0.1522-0.0000 ( 1478 PWs) bands (ev): -31.4964 -31.4964 -12.3508 -12.3508 -10.9301 -10.9301 -10.8591 -10.8591 5.0951 5.0951 7.6951 7.6951 7.7242 7.7242 8.3148 8.3148 8.3327 8.3327 8.4708 8.4708 11.6310 11.6310 11.6457 11.6457 14.6557 14.6557 14.7369 14.7369 15.8637 15.8637 k = 0.0000 0.1630-0.0000 ( 1478 PWs) bands (ev): -31.4954 -31.4954 -12.3543 -12.3543 -10.9382 -10.9382 -10.8580 -10.8580 5.1485 5.1485 7.7051 7.7051 7.7375 7.7375 8.3138 8.3138 8.3338 8.3338 8.4709 8.4709 11.6121 11.6121 11.6430 11.6430 14.5574 14.5574 14.6378 14.6378 15.8632 15.8632 k = 0.0000 0.1739-0.0000 ( 1474 PWs) bands (ev): -31.4944 -31.4944 -12.3580 -12.3580 -10.9466 -10.9466 -10.8568 -10.8568 5.2051 5.2051 7.7157 7.7157 7.7513 7.7513 8.3127 8.3127 8.3349 8.3349 8.4710 8.4710 11.5882 11.5882 11.6401 11.6401 14.4608 14.4608 14.5404 14.5404 15.8627 15.8627 k = 0.0000 0.1848-0.0000 ( 1474 PWs) bands (ev): -31.4934 -31.4934 -12.3618 -12.3618 -10.9551 -10.9551 -10.8556 -10.8556 5.2649 5.2649 7.7266 7.7266 7.7653 7.7653 8.3116 8.3116 8.3360 8.3360 8.4713 8.4713 11.5586 11.5586 11.6370 11.6370 14.3662 14.3662 14.4449 14.4449 15.8622 15.8622 k = 0.0000 0.1957-0.0000 ( 1478 PWs) bands (ev): -31.4924 -31.4924 -12.3659 -12.3659 -10.9639 -10.9639 -10.8544 -10.8544 5.3279 5.3279 7.7379 7.7379 7.7795 7.7795 8.3105 8.3105 8.3371 8.3371 8.4715 8.4715 11.5228 11.5228 11.6337 11.6337 14.2738 14.2738 14.3515 14.3515 15.8617 15.8617 k = 0.0000 0.2065-0.0000 ( 1478 PWs) bands (ev): -31.4913 -31.4913 -12.3701 -12.3701 -10.9727 -10.9727 -10.8531 -10.8531 5.3938 5.3938 7.7495 7.7495 7.7941 7.7941 8.3095 8.3095 8.3382 8.3382 8.4719 8.4719 11.4804 11.4804 11.6304 11.6304 14.1836 14.1836 14.2603 14.2603 15.8612 15.8612 k = 0.0000 0.2174-0.0000 ( 1482 PWs) bands (ev): -31.4902 -31.4902 -12.3745 -12.3745 -10.9816 -10.9816 -10.8518 -10.8518 5.4627 5.4627 7.7613 7.7613 7.8088 7.8088 8.3084 8.3084 8.3393 8.3393 8.4724 8.4724 11.4310 11.4310 11.6269 11.6269 14.0959 14.0959 14.1714 14.1714 15.8607 15.8607 k = 0.0000 0.2283-0.0000 ( 1482 PWs) bands (ev): -31.4891 -31.4891 -12.3790 -12.3790 -10.9906 -10.9906 -10.8505 -10.8505 5.5344 5.5344 7.7735 7.7735 7.8234 7.8234 8.3074 8.3074 8.3404 8.3404 8.4730 8.4730 11.3746 11.3746 11.6233 11.6233 14.0107 14.0107 14.0851 14.0851 15.8602 15.8602 k = 0.0000 0.2391-0.0000 ( 1482 PWs) bands (ev): -31.4880 -31.4880 -12.3836 -12.3836 -10.9995 -10.9995 -10.8491 -10.8491 5.6089 5.6089 7.7857 7.7857 7.8381 7.8381 8.3065 8.3065 8.3415 8.3415 8.4736 8.4736 11.3109 11.3109 11.6196 11.6196 13.9281 13.9281 14.0013 14.0013 15.8597 15.8597 k = 0.0000 0.2500-0.0000 ( 1482 PWs) bands (ev): -31.4868 -31.4868 -12.3883 -12.3883 -11.0083 -11.0083 -10.8478 -10.8478 5.6861 5.6861 7.7981 7.7981 7.8527 7.8527 8.3056 8.3056 8.3426 8.3426 8.4744 8.4744 11.2402 11.2402 11.6159 11.6159 13.8483 13.8483 13.9203 13.9203 15.8592 15.8592 k = 0.0000 0.2609-0.0000 ( 1482 PWs) bands (ev): -31.4857 -31.4857 -12.3931 -12.3931 -11.0170 -11.0170 -10.8464 -10.8464 5.7657 5.7657 7.8104 7.8104 7.8672 7.8672 8.3048 8.3048 8.3436 8.3436 8.4752 8.4752 11.1626 11.1626 11.6121 11.6121 13.7712 13.7712 13.8421 13.8421 15.8587 15.8587 k = 0.0000 0.2717-0.0000 ( 1490 PWs) bands (ev): -31.4846 -31.4846 -12.3979 -12.3979 -11.0256 -11.0256 -10.8451 -10.8451 5.8478 5.8478 7.8228 7.8228 7.8812 7.8812 8.3040 8.3040 8.3446 8.3446 8.4762 8.4762 11.0784 11.0784 11.6082 11.6082 13.6971 13.6971 13.7668 13.7668 15.8582 15.8582 k = 0.0000 0.2826-0.0000 ( 1490 PWs) bands (ev): -31.4835 -31.4835 -12.4027 -12.4027 -11.0339 -11.0339 -10.8438 -10.8438 5.9322 5.9322 7.8351 7.8351 7.8951 7.8951 8.3033 8.3033 8.3456 8.3456 8.4772 8.4772 10.9882 10.9882 11.6044 11.6044 13.6259 13.6259 13.6944 13.6944 15.8577 15.8577 k = 0.0000 0.2935-0.0000 ( 1486 PWs) bands (ev): -31.4824 -31.4824 -12.4076 -12.4076 -11.0421 -11.0421 -10.8424 -10.8424 6.0188 6.0188 7.8472 7.8472 7.9087 7.9087 8.3028 8.3028 8.3466 8.3466 8.4784 8.4784 10.8926 10.8926 11.6005 11.6005 13.5577 13.5577 13.6252 13.6252 15.8572 15.8572 k = 0.0000 0.3043-0.0000 ( 1486 PWs) bands (ev): -31.4813 -31.4813 -12.4124 -12.4124 -11.0499 -11.0499 -10.8412 -10.8412 6.1074 6.1074 7.8591 7.8591 7.9219 7.9219 8.3022 8.3022 8.3476 8.3476 8.4795 8.4795 10.7921 10.7921 11.5966 11.5966 13.4927 13.4927 13.5591 13.5591 15.8567 15.8567 k = 0.0000 0.3152-0.0000 ( 1490 PWs) bands (ev): -31.4803 -31.4803 -12.4171 -12.4171 -11.0575 -11.0575 -10.8399 -10.8399 6.1978 6.1978 7.8708 7.8708 7.9347 7.9347 8.3016 8.3016 8.3485 8.3485 8.4807 8.4807 10.6873 10.6873 11.5928 11.5928 13.4308 13.4308 13.4961 13.4961 15.8562 15.8562 k = 0.0000 0.3261-0.0000 ( 1482 PWs) bands (ev): -31.4792 -31.4792 -12.4218 -12.4218 -11.0648 -11.0648 -10.8387 -10.8387 6.2899 6.2899 7.8822 7.8822 7.9471 7.9471 8.3012 8.3012 8.3495 8.3495 8.4821 8.4821 10.5790 10.5790 11.5891 11.5891 13.3721 13.3721 13.4365 13.4365 15.8558 15.8558 k = 0.0000 0.3370-0.0000 ( 1482 PWs) bands (ev): -31.4782 -31.4782 -12.4264 -12.4264 -11.0717 -11.0717 -10.8375 -10.8375 6.3835 6.3835 7.8932 7.8932 7.9590 7.9590 8.3006 8.3006 8.3504 8.3504 8.4833 8.4833 10.4678 10.4678 11.5854 11.5854 13.3167 13.3167 13.3801 13.3801 15.8554 15.8554 k = 0.0000 0.3478-0.0000 ( 1490 PWs) bands (ev): -31.4773 -31.4773 -12.4308 -12.4308 -11.0783 -11.0783 -10.8364 -10.8364 6.4783 6.4783 7.9036 7.9036 7.9705 7.9705 8.2999 8.2999 8.3512 8.3512 8.4846 8.4846 10.3545 10.3545 11.5818 11.5818 13.2646 13.2646 13.3271 13.3271 15.8550 15.8550 k = 0.0000 0.3587-0.0000 ( 1482 PWs) bands (ev): -31.4764 -31.4764 -12.4351 -12.4351 -11.0845 -11.0845 -10.8353 -10.8353 6.5739 6.5739 7.9136 7.9136 7.9816 7.9816 8.2993 8.2993 8.3521 8.3521 8.4859 8.4859 10.2398 10.2398 11.5783 11.5783 13.2159 13.2159 13.2776 13.2776 15.8546 15.8546 k = 0.0000 0.3696-0.0000 ( 1482 PWs) bands (ev): -31.4755 -31.4755 -12.4391 -12.4391 -11.0902 -11.0902 -10.8343 -10.8343 6.6701 6.6701 7.9232 7.9232 7.9923 7.9923 8.2985 8.2985 8.3529 8.3529 8.4872 8.4872 10.1243 10.1243 11.5750 11.5750 13.1706 13.1706 13.2315 13.2315 15.8542 15.8542 k = 0.0000 0.3804-0.0000 ( 1490 PWs) bands (ev): -31.4747 -31.4747 -12.4430 -12.4430 -11.0956 -11.0956 -10.8333 -10.8333 6.7664 6.7664 7.9320 7.9320 8.0026 8.0026 8.2973 8.2973 8.3536 8.3536 8.4883 8.4883 10.0089 10.0089 11.5718 11.5718 13.1288 13.1288 13.1890 13.1890 15.8538 15.8538 k = 0.0000 0.3913-0.0000 ( 1490 PWs) bands (ev): -31.4740 -31.4740 -12.4466 -12.4466 -11.1006 -11.1006 -10.8324 -10.8324 6.8622 6.8622 7.9403 7.9403 8.0128 8.0128 8.2958 8.2958 8.3544 8.3544 8.4895 8.4895 9.8945 9.8945 11.5689 11.5689 13.0905 13.0905 13.1500 13.1500 15.8535 15.8535 k = 0.0000 0.4022-0.0000 ( 1502 PWs) bands (ev): -31.4733 -31.4733 -12.4500 -12.4500 -11.1051 -11.1051 -10.8317 -10.8317 6.9568 6.9568 7.9477 7.9477 8.0228 8.0228 8.2938 8.2938 8.3551 8.3551 8.4905 8.4905 9.7819 9.7819 11.5661 11.5661 13.0557 13.0557 13.1146 13.1146 15.8531 15.8531 k = 0.0000 0.4130-0.0000 ( 1502 PWs) bands (ev): -31.4727 -31.4727 -12.4531 -12.4531 -11.1091 -11.1091 -10.8309 -10.8309 7.0494 7.0494 7.9546 7.9546 8.0330 8.0330 8.2912 8.2912 8.3557 8.3557 8.4916 8.4916 9.6725 9.6725 11.5635 11.5635 13.0245 13.0245 13.0828 13.0828 15.8528 15.8528 k = 0.0000 0.4239-0.0000 ( 1502 PWs) bands (ev): -31.4721 -31.4721 -12.4558 -12.4558 -11.1127 -11.1127 -10.8302 -10.8302 7.1388 7.1388 7.9608 7.9608 8.0436 8.0436 8.2877 8.2877 8.3564 8.3564 8.4925 8.4925 9.5674 9.5674 11.5613 11.5613 12.9970 12.9970 13.0548 13.0548 15.8526 15.8526 k = 0.0000 0.4348-0.0000 ( 1498 PWs) bands (ev): -31.4716 -31.4716 -12.4582 -12.4582 -11.1158 -11.1158 -10.8297 -10.8297 7.2235 7.2235 7.9662 7.9662 8.0549 8.0549 8.2831 8.2831 8.3570 8.3570 8.4934 8.4934 9.4682 9.4682 11.5592 11.5592 12.9730 12.9730 13.0304 13.0304 15.8524 15.8524 k = 0.0000 0.4457-0.0000 ( 1498 PWs) bands (ev): -31.4712 -31.4712 -12.4603 -12.4603 -11.1185 -11.1185 -10.8292 -10.8292 7.3017 7.3017 7.9708 7.9708 8.0671 8.0671 8.2771 8.2771 8.3575 8.3575 8.4942 8.4942 9.3771 9.3771 11.5575 11.5575 12.9527 12.9527 13.0097 13.0097 15.8522 15.8522 k = 0.0000 0.4565-0.0000 ( 1498 PWs) bands (ev): -31.4709 -31.4709 -12.4620 -12.4620 -11.1207 -11.1207 -10.8288 -10.8288 7.3710 7.3710 7.9746 7.9746 8.0805 8.0805 8.2694 8.2694 8.3579 8.3579 8.4948 8.4948 9.2962 9.2962 11.5561 11.5561 12.9360 12.9360 12.9928 12.9928 15.8520 15.8520 k = 0.0000 0.4674-0.0000 ( 1498 PWs) bands (ev): -31.4706 -31.4706 -12.4634 -12.4634 -11.1224 -11.1224 -10.8284 -10.8284 7.4290 7.4290 7.9775 7.9775 8.0948 8.0948 8.2602 8.2602 8.3582 8.3582 8.4953 8.4953 9.2286 9.2286 11.5549 11.5549 12.9231 12.9231 12.9796 12.9796 15.8519 15.8519 k = 0.0000 0.4783-0.0000 ( 1498 PWs) bands (ev): -31.4704 -31.4704 -12.4644 -12.4644 -11.1236 -11.1236 -10.8282 -10.8282 7.4728 7.4728 7.9797 7.9797 8.1090 8.1090 8.2503 8.2503 8.3584 8.3584 8.4957 8.4957 9.1771 9.1771 11.5541 11.5541 12.9138 12.9138 12.9701 12.9701 15.8518 15.8518 k = 0.0000 0.4891-0.0000 ( 1498 PWs) bands (ev): -31.4703 -31.4703 -12.4650 -12.4650 -11.1243 -11.1243 -10.8281 -10.8281 7.5003 7.5003 7.9810 7.9810 8.1204 8.1204 8.2417 8.2417 8.3586 8.3586 8.4959 8.4959 9.1448 9.1448 11.5536 11.5536 12.9082 12.9082 12.9645 12.9645 15.8518 15.8518 k = 0.0000 0.5000-0.0000 ( 1510 PWs) bands (ev): -31.4703 -31.4703 -12.4652 -12.4652 -11.1246 -11.1246 -10.8280 -10.8280 7.5095 7.5095 7.9814 7.9814 8.1250 8.1250 8.2380 8.2380 8.3585 8.3585 8.4959 8.4959 9.1337 9.1337 11.5535 11.5535 12.9063 12.9063 12.9625 12.9625 15.8517 15.8517 k = 0.0000 0.5000-0.0000 ( 1510 PWs) bands (ev): -31.4703 -31.4703 -12.4652 -12.4652 -11.1246 -11.1246 -10.8280 -10.8280 7.5095 7.5095 7.9814 7.9814 8.1250 8.1250 8.2380 8.2380 8.3585 8.3585 8.4959 8.4959 9.1337 9.1337 11.5535 11.5535 12.9063 12.9063 12.9625 12.9625 15.8517 15.8517 k = 0.0109 0.5000-0.0000 ( 1506 PWs) bands (ev): -31.4702 -31.4702 -12.4653 -12.4653 -11.1246 -11.1246 -10.8283 -10.8283 7.5097 7.5097 7.9813 7.9813 8.1214 8.1214 8.2418 8.2418 8.3599 8.3599 8.4958 8.4958 9.1333 9.1333 11.5553 11.5553 12.9065 12.9065 12.9627 12.9627 15.8495 15.8495 k = 0.0217 0.5000-0.0000 ( 1498 PWs) bands (ev): -31.4701 -31.4701 -12.4654 -12.4654 -11.1248 -11.1248 -10.8289 -10.8289 7.5101 7.5101 7.9808 7.9808 8.1120 8.1120 8.2514 8.2514 8.3646 8.3646 8.4956 8.4956 9.1323 9.1323 11.5609 11.5609 12.9067 12.9067 12.9636 12.9636 15.8429 15.8429 k = 0.0326 0.5000-0.0000 ( 1490 PWs) bands (ev): -31.4699 -31.4699 -12.4657 -12.4657 -11.1251 -11.1251 -10.8301 -10.8301 7.5107 7.5107 7.9798 7.9798 8.0995 8.0995 8.2630 8.2630 8.3733 8.3733 8.4955 8.4955 9.1306 9.1306 11.5701 11.5701 12.9056 12.9056 12.9665 12.9665 15.8319 15.8319 k = 0.0435 0.5000-0.0000 ( 1490 PWs) bands (ev): -31.4697 -31.4697 -12.4661 -12.4661 -11.1256 -11.1256 -10.8317 -10.8317 7.5114 7.5114 7.9783 7.9783 8.0861 8.0861 8.2731 8.2731 8.3866 8.3866 8.4961 8.4961 9.1281 9.1281 11.5830 11.5830 12.9020 12.9020 12.9725 12.9725 15.8166 15.8166 k = 0.0543 0.5000-0.0000 ( 1490 PWs) bands (ev): -31.4694 -31.4694 -12.4667 -12.4667 -11.1262 -11.1262 -10.8337 -10.8337 7.5122 7.5122 7.9761 7.9761 8.0731 8.0731 8.2802 8.2802 8.4037 8.4037 8.4993 8.4993 9.1250 9.1250 11.5994 11.5994 12.8950 12.8950 12.9826 12.9826 15.7973 15.7973 k = 0.0652 0.5000-0.0000 ( 1488 PWs) bands (ev): -31.4690 -31.4690 -12.4674 -12.4674 -11.1270 -11.1270 -10.8360 -10.8360 7.5128 7.5128 7.9727 7.9727 8.0614 8.0614 8.2840 8.2840 8.4208 8.4208 8.5084 8.5084 9.1213 9.1213 11.6193 11.6193 12.8847 12.8847 12.9968 12.9968 15.7741 15.7741 k = 0.0761 0.5000-0.0000 ( 1492 PWs) bands (ev): -31.4685 -31.4685 -12.4682 -12.4682 -11.1279 -11.1279 -10.8388 -10.8388 7.5132 7.5132 7.9679 7.9679 8.0518 8.0518 8.2851 8.2851 8.4324 8.4324 8.5280 8.5280 9.1171 9.1171 11.6425 11.6425 12.8713 12.8713 13.0147 13.0147 15.7474 15.7474 k = 0.0870 0.5000-0.0000 ( 1490 PWs) bands (ev): -31.4680 -31.4680 -12.4691 -12.4691 -11.1290 -11.1290 -10.8419 -10.8419 7.5132 7.5132 7.9612 7.9612 8.0450 8.0450 8.2843 8.2843 8.4366 8.4366 8.5595 8.5595 9.1126 9.1126 11.6691 11.6691 12.8553 12.8553 13.0360 13.0360 15.7174 15.7174 k = 0.0978 0.5000-0.0000 ( 1486 PWs) bands (ev): -31.4674 -31.4674 -12.4702 -12.4702 -11.1303 -11.1303 -10.8452 -10.8452 7.5126 7.5126 7.9527 7.9527 8.0412 8.0412 8.2821 8.2821 8.4356 8.4356 8.6000 8.6000 9.1076 9.1076 11.6988 11.6988 12.8369 12.8369 13.0605 13.0605 15.6843 15.6843 k = 0.1087 0.5000-0.0000 ( 1486 PWs) bands (ev): -31.4667 -31.4667 -12.4714 -12.4714 -11.1318 -11.1318 -10.8488 -10.8488 7.5112 7.5112 7.9423 7.9423 8.0403 8.0403 8.2789 8.2789 8.4315 8.4315 8.6468 8.6468 9.1025 9.1025 11.7314 11.7314 12.8162 12.8162 13.0880 13.0880 15.6486 15.6486 k = 0.1196 0.5000-0.0000 ( 1482 PWs) bands (ev): -31.4660 -31.4660 -12.4727 -12.4727 -11.1335 -11.1335 -10.8526 -10.8526 7.5089 7.5089 7.9307 7.9307 8.0421 8.0421 8.2750 8.2750 8.4258 8.4258 8.6987 8.6987 9.0973 9.0973 11.7669 11.7669 12.7936 12.7936 13.1182 13.1182 15.6105 15.6105 k = 0.1304 0.5000-0.0000 ( 1482 PWs) bands (ev): -31.4653 -31.4653 -12.4741 -12.4741 -11.1354 -11.1354 -10.8566 -10.8566 7.5054 7.5054 7.9181 7.9181 8.0463 8.0463 8.2704 8.2704 8.4189 8.4189 8.7545 8.7545 9.0923 9.0923 11.8050 11.8050 12.7690 12.7690 13.1510 13.1510 15.5703 15.5703 k = 0.1413 0.5000-0.0000 ( 1486 PWs) bands (ev): -31.4645 -31.4645 -12.4757 -12.4757 -11.1375 -11.1375 -10.8607 -10.8607 7.5007 7.5007 7.9049 7.9049 8.0523 8.0523 8.2654 8.2654 8.4112 8.4112 8.8138 8.8138 9.0878 9.0878 11.8454 11.8454 12.7426 12.7426 13.1863 13.1863 15.5285 15.5285 k = 0.1522 0.5000-0.0000 ( 1492 PWs) bands (ev): -31.4636 -31.4636 -12.4774 -12.4774 -11.1400 -11.1400 -10.8648 -10.8648 7.4945 7.4945 7.8913 7.8913 8.0603 8.0603 8.2600 8.2600 8.4030 8.4030 8.8755 8.8755 9.0845 9.0845 11.8880 11.8880 12.7146 12.7146 13.2240 13.2240 15.4852 15.4852 k = 0.1630 0.5000-0.0000 ( 1500 PWs) bands (ev): -31.4627 -31.4627 -12.4792 -12.4792 -11.1426 -11.1426 -10.8689 -10.8689 7.4870 7.4870 7.8776 7.8776 8.0697 8.0697 8.2546 8.2546 8.3944 8.3944 8.9377 8.9377 9.0843 9.0843 11.9325 11.9325 12.6851 12.6851 13.2639 13.2639 15.4407 15.4407 k = 0.1739 0.5000-0.0000 ( 1498 PWs) bands (ev): -31.4618 -31.4618 -12.4811 -12.4811 -11.1455 -11.1455 -10.8730 -10.8730 7.4780 7.4780 7.8638 7.8638 8.0805 8.0805 8.2492 8.2492 8.3858 8.3858 8.9936 8.9936 9.0942 9.0942 11.9786 11.9786 12.6542 12.6542 13.3058 13.3058 15.3955 15.3955 k = 0.1848 0.5000-0.0000 ( 1498 PWs) bands (ev): -31.4608 -31.4608 -12.4832 -12.4832 -11.1487 -11.1487 -10.8769 -10.8769 7.4675 7.4675 7.8501 7.8501 8.0921 8.0921 8.2441 8.2441 8.3774 8.3774 9.0260 9.0260 9.1308 9.1308 12.0259 12.0259 12.6220 12.6220 13.3497 13.3497 15.3498 15.3498 k = 0.1957 0.5000-0.0000 ( 1502 PWs) bands (ev): -31.4598 -31.4598 -12.4853 -12.4853 -11.1521 -11.1521 -10.8808 -10.8808 7.4556 7.4556 7.8365 7.8365 8.1040 8.1040 8.2397 8.2397 8.3692 8.3692 9.0348 9.0348 9.1945 9.1945 12.0741 12.0741 12.5887 12.5887 13.3953 13.3953 15.3038 15.3038 k = 0.2065 0.5000-0.0000 ( 1502 PWs) bands (ev): -31.4588 -31.4588 -12.4876 -12.4876 -11.1558 -11.1558 -10.8845 -10.8845 7.4424 7.4424 7.8229 7.8229 8.1153 8.1153 8.2363 8.2363 8.3620 8.3620 9.0354 9.0354 9.2697 9.2697 12.1229 12.1229 12.5542 12.5542 13.4426 13.4426 15.2578 15.2578 k = 0.2174 0.5000-0.0000 ( 1506 PWs) bands (ev): -31.4577 -31.4577 -12.4899 -12.4899 -11.1597 -11.1597 -10.8880 -10.8880 7.4279 7.4279 7.8096 7.8096 8.1251 8.1251 8.2344 8.2344 8.3559 8.3559 9.0338 9.0338 9.3505 9.3505 12.1716 12.1716 12.5189 12.5189 13.4914 13.4914 15.2119 15.2119 k = 0.2283 0.5000-0.0000 ( 1506 PWs) bands (ev): -31.4567 -31.4567 -12.4924 -12.4924 -11.1638 -11.1638 -10.8913 -10.8913 7.4124 7.4124 7.7965 7.7965 8.1323 8.1323 8.2343 8.2343 8.3518 8.3518 9.0315 9.0315 9.4350 9.4350 12.2198 12.2198 12.4829 12.4829 13.5414 13.5414 15.1666 15.1666 k = 0.2391 0.5000-0.0000 ( 1506 PWs) bands (ev): -31.4556 -31.4556 -12.4949 -12.4949 -11.1682 -11.1682 -10.8944 -10.8944 7.3959 7.3959 7.7836 7.7836 8.1362 8.1362 8.2356 8.2356 8.3508 8.3508 9.0293 9.0293 9.5226 9.5226 12.2667 12.2667 12.4465 12.4465 13.5925 13.5925 15.1218 15.1218 k = 0.2500 0.5000-0.0000 ( 1514 PWs) bands (ev): -31.4545 -31.4545 -12.4975 -12.4975 -11.1727 -11.1727 -10.8973 -10.8973 7.3786 7.3786 7.7710 7.7710 8.1368 8.1368 8.2370 8.2370 8.3537 8.3537 9.0275 9.0275 9.6127 9.6127 12.3108 12.3108 12.4109 12.4109 13.6446 13.6446 15.0778 15.0778 k = 0.2609 0.5000-0.0000 ( 1510 PWs) bands (ev): -31.4534 -31.4534 -12.5001 -12.5001 -11.1773 -11.1773 -10.8998 -10.8998 7.3607 7.3607 7.7587 7.7587 8.1347 8.1347 8.2373 8.2373 8.3616 8.3616 9.0263 9.0263 9.7052 9.7052 12.3418 12.3418 12.3861 12.3861 13.6974 13.6974 15.0348 15.0348 k = 0.2717 0.5000-0.0000 ( 1506 PWs) bands (ev): -31.4523 -31.4523 -12.5028 -12.5028 -11.1821 -11.1821 -10.9022 -10.9022 7.3424 7.3424 7.7468 7.7468 8.1308 8.1308 8.2355 8.2355 8.3742 8.3742 9.0258 9.0258 9.7997 9.7997 12.3226 12.3226 12.4084 12.4084 13.7508 13.7508 14.9929 14.9929 k = 0.2826 0.5000-0.0000 ( 1506 PWs) bands (ev): -31.4513 -31.4513 -12.5055 -12.5055 -11.1869 -11.1869 -10.9043 -10.9043 7.3237 7.3237 7.7353 7.7353 8.1254 8.1254 8.2318 8.2318 8.3905 8.3905 9.0261 9.0261 9.8961 9.8961 12.2865 12.2865 12.4443 12.4443 13.8044 13.8044 14.9523 14.9523 k = 0.2935 0.5000-0.0000 ( 1506 PWs) bands (ev): -31.4502 -31.4502 -12.5083 -12.5083 -11.1918 -11.1918 -10.9062 -10.9062 7.3049 7.3049 7.7241 7.7241 8.1193 8.1193 8.2265 8.2265 8.4096 8.4096 9.0273 9.0273 9.9942 9.9942 12.2483 12.2483 12.4783 12.4783 13.8581 13.8581 14.9130 14.9130 k = 0.3043 0.5000-0.0000 ( 1506 PWs) bands (ev): -31.4492 -31.4492 -12.5111 -12.5111 -11.1967 -11.1967 -10.9078 -10.9078 7.2860 7.2860 7.7133 7.7133 8.1126 8.1126 8.2203 8.2203 8.4304 8.4304 9.0295 9.0295 10.0938 10.0938 12.2097 12.2097 12.5084 12.5084 13.9117 13.9117 14.8752 14.8752 k = 0.3152 0.5000-0.0000 ( 1506 PWs) bands (ev): -31.4482 -31.4482 -12.5138 -12.5138 -11.2015 -11.2015 -10.9092 -10.9092 7.2673 7.2673 7.7030 7.7030 8.1057 8.1057 8.2135 8.2135 8.4520 8.4520 9.0328 9.0328 10.1946 10.1946 12.1710 12.1710 12.5337 12.5337 13.9648 13.9648 14.8390 14.8390 k = 0.3261 0.5000-0.0000 ( 1506 PWs) bands (ev): -31.4472 -31.4472 -12.5165 -12.5165 -11.2063 -11.2063 -10.9105 -10.9105 7.2489 7.2489 7.6932 7.6932 8.0987 8.0987 8.2064 8.2064 8.4739 8.4739 9.0372 9.0372 10.2964 10.2964 12.1327 12.1327 12.5535 12.5535 14.0173 14.0173 14.8045 14.8045 k = 0.3370 0.5000-0.0000 ( 1506 PWs) bands (ev): -31.4463 -31.4463 -12.5192 -12.5192 -11.2110 -11.2110 -10.9116 -10.9116 7.2310 7.2310 7.6839 7.6839 8.0918 8.0918 8.1993 8.1993 8.4955 8.4955 9.0426 9.0426 10.3991 10.3991 12.0949 12.0949 12.5672 12.5672 14.0688 14.0688 14.7718 14.7718 k = 0.3478 0.5000-0.0000 ( 1506 PWs) bands (ev): -31.4454 -31.4454 -12.5218 -12.5218 -11.2155 -11.2155 -10.9125 -10.9125 7.2135 7.2135 7.6750 7.6750 8.0850 8.0850 8.1923 8.1923 8.5163 8.5163 9.0492 9.0492 10.5024 10.5024 12.0579 12.0579 12.5743 12.5743 14.1191 14.1191 14.7409 14.7409 k = 0.3587 0.5000-0.0000 ( 1512 PWs) bands (ev): -31.4445 -31.4445 -12.5243 -12.5243 -11.2199 -11.2199 -10.9132 -10.9132 7.1968 7.1968 7.6667 7.6667 8.0783 8.0783 8.1854 8.1854 8.5360 8.5360 9.0568 9.0568 10.6060 10.6060 12.0219 12.0219 12.5744 12.5744 14.1679 14.1679 14.7118 14.7118 k = 0.3696 0.5000-0.0000 ( 1512 PWs) bands (ev): -31.4437 -31.4437 -12.5267 -12.5267 -11.2240 -11.2240 -10.9138 -10.9138 7.1808 7.1808 7.6589 7.6589 8.0720 8.0720 8.1788 8.1788 8.5546 8.5546 9.0655 9.0655 10.7099 10.7099 11.9871 11.9871 12.5673 12.5673 14.2148 14.2148 14.6848 14.6848 k = 0.3804 0.5000-0.0000 ( 1508 PWs) bands (ev): -31.4429 -31.4429 -12.5290 -12.5290 -11.2279 -11.2279 -10.9144 -10.9144 7.1657 7.1657 7.6518 7.6518 8.0660 8.0660 8.1727 8.1727 8.5717 8.5717 9.0749 9.0749 10.8135 10.8135 11.9539 11.9539 12.5529 12.5529 14.2595 14.2595 14.6598 14.6598 k = 0.3913 0.5000-0.0000 ( 1508 PWs) bands (ev): -31.4422 -31.4422 -12.5312 -12.5312 -11.2316 -11.2316 -10.9148 -10.9148 7.1516 7.1516 7.6452 7.6452 8.0604 8.0604 8.1669 8.1669 8.5873 8.5873 9.0850 9.0850 10.9168 10.9168 11.9224 11.9224 12.5311 12.5311 14.3018 14.3018 14.6369 14.6369 k = 0.4022 0.5000-0.0000 ( 1500 PWs) bands (ev): -31.4415 -31.4415 -12.5332 -12.5332 -11.2349 -11.2349 -10.9151 -10.9151 7.1386 7.1386 7.6394 7.6394 8.0552 8.0552 8.1616 8.1616 8.6012 8.6012 9.0955 9.0955 11.0194 11.0194 11.8929 11.8929 12.5020 12.5020 14.3412 14.3412 14.6160 14.6160 k = 0.4130 0.5000-0.0000 ( 1500 PWs) bands (ev): -31.4409 -31.4409 -12.5351 -12.5351 -11.2380 -11.2380 -10.9154 -10.9154 7.1268 7.1268 7.6339 7.6339 8.0505 8.0505 8.1567 8.1567 8.6135 8.6135 9.1061 9.1061 11.1208 11.1208 11.8658 11.8658 12.4659 12.4659 14.3775 14.3775 14.5974 14.5974 k = 0.4239 0.5000-0.0000 ( 1500 PWs) bands (ev): -31.4404 -31.4404 -12.5368 -12.5368 -11.2407 -11.2407 -10.9156 -10.9156 7.1161 7.1161 7.6290 7.6290 8.0462 8.0462 8.1524 8.1524 8.6240 8.6240 9.1164 9.1164 11.2205 11.2205 11.8413 11.8413 12.4232 12.4232 14.4103 14.4103 14.5809 14.5809 k = 0.4348 0.5000-0.0000 ( 1504 PWs) bands (ev): -31.4400 -31.4400 -12.5382 -12.5382 -11.2432 -11.2432 -10.9157 -10.9157 7.1068 7.1068 7.6248 7.6248 8.0425 8.0425 8.1485 8.1485 8.6329 8.6329 9.1262 9.1262 11.3180 11.3180 11.8199 11.8199 12.3745 12.3745 14.4393 14.4393 14.5667 14.5667 k = 0.4457 0.5000-0.0000 ( 1504 PWs) bands (ev): -31.4396 -31.4396 -12.5395 -12.5395 -11.2452 -11.2452 -10.9158 -10.9158 7.0988 7.0988 7.6212 7.6212 8.0393 8.0393 8.1453 8.1453 8.6403 8.6403 9.1352 9.1352 11.4123 11.4123 11.8019 11.8019 12.3206 12.3206 14.4641 14.4641 14.5549 14.5549 k = 0.4565 0.5000-0.0000 ( 1500 PWs) bands (ev): -31.4392 -31.4392 -12.5406 -12.5406 -11.2469 -11.2469 -10.9159 -10.9159 7.0922 7.0922 7.6183 7.6183 8.0367 8.0367 8.1426 8.1426 8.6462 8.6462 9.1431 9.1431 11.5017 11.5017 11.7882 11.7882 12.2627 12.2627 14.4843 14.4843 14.5457 14.5457 k = 0.4674 0.5000-0.0000 ( 1500 PWs) bands (ev): -31.4390 -31.4390 -12.5414 -12.5414 -11.2483 -11.2483 -10.9160 -10.9160 7.0870 7.0870 7.6160 7.6160 8.0346 8.0346 8.1405 8.1405 8.6507 8.6507 9.1494 9.1494 11.5829 11.5829 11.7803 11.7803 12.2028 12.2028 14.4993 14.4993 14.5395 14.5395 k = 0.4783 0.5000-0.0000 ( 1500 PWs) bands (ev): -31.4388 -31.4388 -12.5420 -12.5420 -11.2492 -11.2492 -10.9160 -10.9160 7.0833 7.0833 7.6144 7.6144 8.0332 8.0332 8.1390 8.1390 8.6539 8.6539 9.1542 9.1542 11.6486 11.6486 11.7819 11.7819 12.1449 12.1449 14.5084 14.5084 14.5368 14.5368 k = 0.4891 0.5000-0.0000 ( 1492 PWs) bands (ev): -31.4387 -31.4387 -12.5424 -12.5424 -11.2498 -11.2498 -10.9160 -10.9160 7.0810 7.0810 7.6135 7.6135 8.0323 8.0323 8.1381 8.1381 8.6558 8.6558 9.1572 9.1572 11.6872 11.6872 11.7962 11.7962 12.0976 12.0976 14.5122 14.5122 14.5370 14.5370 k = 0.5000 0.5000-0.0000 ( 1492 PWs) bands (ev): -31.4386 -31.4386 -12.5425 -12.5425 -11.2500 -11.2500 -10.9160 -10.9160 7.0803 7.0803 7.6132 7.6132 8.0320 8.0320 8.1378 8.1378 8.6565 8.6565 9.1581 9.1581 11.6979 11.6979 11.8073 11.8073 12.0777 12.0777 14.5129 14.5129 14.5375 14.5375 k = 0.5000 0.5000-0.0000 ( 1492 PWs) bands (ev): -31.4386 -31.4386 -12.5425 -12.5425 -11.2500 -11.2500 -10.9160 -10.9160 7.0803 7.0803 7.6132 7.6132 8.0320 8.0320 8.1378 8.1378 8.6565 8.6565 9.1581 9.1581 11.6979 11.6979 11.8073 11.8073 12.0777 12.0777 14.5129 14.5129 14.5375 14.5375 k = 0.4922 0.4922-0.0000 ( 1494 PWs) bands (ev): -31.4387 -31.4387 -12.5424 -12.5424 -11.2498 -11.2498 -10.9160 -10.9160 7.0811 7.0811 7.6135 7.6135 8.0323 8.0323 8.1382 8.1382 8.6558 8.6558 9.1571 9.1571 11.6872 11.6872 11.7955 11.7955 12.0983 12.0983 14.5122 14.5122 14.5369 14.5369 k = 0.4844 0.4844-0.0000 ( 1498 PWs) bands (ev): -31.4388 -31.4388 -12.5420 -12.5420 -11.2492 -11.2492 -10.9160 -10.9160 7.0833 7.0833 7.6145 7.6145 8.0332 8.0332 8.1391 8.1391 8.6539 8.6539 9.1540 9.1540 11.6505 11.6505 11.7771 11.7771 12.1477 12.1477 14.5093 14.5093 14.5358 14.5358 k = 0.4766 0.4766-0.0000 ( 1498 PWs) bands (ev): -31.4390 -31.4390 -12.5414 -12.5414 -11.2482 -11.2482 -10.9160 -10.9160 7.0871 7.0871 7.6162 7.6162 8.0347 8.0347 8.1406 8.1406 8.6506 8.6506 9.1488 9.1488 11.5898 11.5898 11.7671 11.7671 12.2091 12.2091 14.5026 14.5026 14.5359 14.5359 k = 0.4688 0.4687-0.0000 ( 1498 PWs) bands (ev): -31.4392 -31.4392 -12.5405 -12.5405 -11.2468 -11.2468 -10.9159 -10.9159 7.0923 7.0923 7.6186 7.6186 8.0368 8.0368 8.1428 8.1428 8.6461 8.6461 9.1414 9.1414 11.5161 11.5161 11.7634 11.7634 12.2738 12.2738 14.4914 14.4914 14.5381 14.5381 k = 0.4609 0.4609-0.0000 ( 1502 PWs) bands (ev): -31.4396 -31.4396 -12.5394 -12.5394 -11.2450 -11.2450 -10.9158 -10.9158 7.0986 7.0986 7.6216 7.6216 8.0395 8.0395 8.1456 8.1456 8.6404 8.6404 9.1316 9.1316 11.4368 11.4368 11.7627 11.7627 12.3379 12.3379 14.4761 14.4761 14.5421 14.5421 k = 0.4531 0.4531-0.0000 ( 1502 PWs) bands (ev): -31.4400 -31.4400 -12.5380 -12.5380 -11.2429 -11.2429 -10.9158 -10.9158 7.1061 7.1061 7.6254 7.6254 8.0427 8.0427 8.1490 8.1490 8.6334 8.6334 9.1193 9.1193 11.3558 11.3558 11.7635 11.7635 12.3996 12.3996 14.4572 14.4572 14.5478 14.5478 k = 0.4453 0.4453-0.0000 ( 1496 PWs) bands (ev): -31.4405 -31.4405 -12.5364 -12.5364 -11.2403 -11.2403 -10.9157 -10.9157 7.1144 7.1144 7.6300 7.6300 8.0465 8.0465 8.1530 8.1530 8.6253 8.6253 9.1044 9.1044 11.2751 11.2751 11.7652 11.7652 12.4577 12.4577 14.4352 14.4352 14.5549 14.5549 k = 0.4375 0.4375-0.0000 ( 1498 PWs) bands (ev): -31.4411 -31.4411 -12.5346 -12.5346 -11.2373 -11.2373 -10.9155 -10.9155 7.1233 7.1233 7.6351 7.6351 8.0508 8.0508 8.1576 8.1576 8.6159 8.6159 9.0865 9.0865 11.1963 11.1963 11.7674 11.7674 12.5115 12.5115 14.4106 14.4106 14.5633 14.5633 k = 0.4297 0.4297-0.0000 ( 1502 PWs) bands (ev): -31.4417 -31.4417 -12.5325 -12.5325 -11.2340 -11.2340 -10.9154 -10.9154 7.1325 7.1325 7.6410 7.6410 8.0555 8.0555 8.1627 8.1627 8.6054 8.6054 9.0654 9.0654 11.1206 11.1206 11.7700 11.7700 12.5605 12.5605 14.3837 14.3837 14.5730 14.5730 k = 0.4219 0.4219-0.0000 ( 1504 PWs) bands (ev): -31.4424 -31.4424 -12.5302 -12.5302 -11.2303 -11.2303 -10.9152 -10.9152 7.1416 7.1416 7.6477 7.6477 8.0606 8.0606 8.1683 8.1683 8.5939 8.5939 9.0411 9.0411 11.0491 11.0491 11.7729 11.7729 12.6046 12.6046 14.3549 14.3549 14.5838 14.5838 k = 0.4141 0.4141-0.0000 ( 1512 PWs) bands (ev): -31.4432 -31.4432 -12.5277 -12.5277 -11.2263 -11.2263 -10.9151 -10.9151 7.1502 7.1502 7.6552 7.6552 8.0661 8.0661 8.1743 8.1743 8.5811 8.5811 9.0132 9.0132 10.9827 10.9827 11.7760 11.7760 12.6436 12.6436 14.3246 14.3246 14.5958 14.5958 k = 0.4062 0.4062-0.0000 ( 1512 PWs) bands (ev): -31.4440 -31.4440 -12.5249 -12.5249 -11.2219 -11.2219 -10.9149 -10.9149 7.1579 7.1579 7.6636 7.6636 8.0720 8.0720 8.1808 8.1808 8.5675 8.5675 8.9819 8.9819 10.9223 10.9223 11.7792 11.7792 12.6774 12.6774 14.2933 14.2933 14.6089 14.6089 k = 0.3984 0.3984-0.0000 ( 1516 PWs) bands (ev): -31.4449 -31.4449 -12.5220 -12.5220 -11.2171 -11.2171 -10.9146 -10.9146 7.1641 7.1641 7.6727 7.6727 8.0782 8.0782 8.1875 8.1875 8.5529 8.5529 8.9471 8.9471 10.8687 10.8687 11.7824 11.7824 12.7060 12.7060 14.2613 14.2613 14.6232 14.6232 k = 0.3906 0.3906-0.0000 ( 1510 PWs) bands (ev): -31.4459 -31.4459 -12.5188 -12.5188 -11.2119 -11.2119 -10.9143 -10.9143 7.1684 7.1684 7.6828 7.6828 8.0849 8.0849 8.1945 8.1945 8.5376 8.5376 8.9091 8.9091 10.8225 10.8225 11.7855 11.7855 12.7296 12.7296 14.2289 14.2289 14.6386 14.6386 k = 0.3828 0.3828-0.0000 ( 1502 PWs) bands (ev): -31.4469 -31.4469 -12.5154 -12.5154 -11.2064 -11.2064 -10.9140 -10.9140 7.1701 7.1701 7.6936 7.6936 8.0918 8.0918 8.2017 8.2017 8.5215 8.5215 8.8682 8.8682 10.7840 10.7840 11.7885 11.7885 12.7483 12.7483 14.1966 14.1966 14.6551 14.6551 k = 0.3750 0.3750-0.0000 ( 1506 PWs) bands (ev): -31.4480 -31.4480 -12.5118 -12.5118 -11.2006 -11.2006 -10.9137 -10.9137 7.1686 7.1686 7.7050 7.7050 8.0990 8.0990 8.2087 8.2087 8.5046 8.5046 8.8250 8.8250 10.7536 10.7536 11.7913 11.7913 12.7625 12.7625 14.1647 14.1647 14.6727 14.6727 k = 0.3672 0.3672-0.0000 ( 1502 PWs) bands (ev): -31.4491 -31.4491 -12.5081 -12.5081 -11.1945 -11.1945 -10.9133 -10.9133 7.1634 7.1634 7.7171 7.7171 8.1066 8.1066 8.2153 8.2153 8.4872 8.4872 8.7802 8.7802 10.7314 10.7314 11.7939 11.7939 12.7723 12.7723 14.1336 14.1336 14.6914 14.6914 k = 0.3594 0.3594-0.0000 ( 1506 PWs) bands (ev): -31.4503 -31.4503 -12.5042 -12.5042 -11.1881 -11.1881 -10.9129 -10.9129 7.1538 7.1538 7.7296 7.7296 8.1143 8.1143 8.2212 8.2212 8.4694 8.4694 8.7348 8.7348 10.7174 10.7174 11.7962 11.7962 12.7783 12.7783 14.1035 14.1035 14.7111 14.7111 k = 0.3516 0.3516-0.0000 ( 1506 PWs) bands (ev): -31.4515 -31.4515 -12.5001 -12.5001 -11.1813 -11.1813 -10.9124 -10.9124 7.1393 7.1393 7.7425 7.7425 8.1223 8.1223 8.2261 8.2261 8.4516 8.4516 8.6898 8.6898 10.7116 10.7116 11.7982 11.7982 12.7808 12.7808 14.0748 14.0748 14.7318 14.7318 k = 0.3438 0.3437-0.0000 ( 1506 PWs) bands (ev): -31.4528 -31.4528 -12.4958 -12.4958 -11.1743 -11.1743 -10.9119 -10.9119 7.1193 7.1193 7.7554 7.7554 8.1305 8.1305 8.2293 8.2293 8.4341 8.4341 8.6462 8.6462 10.7137 10.7137 11.7997 11.7997 12.7802 12.7802 14.0477 14.0477 14.7536 14.7536 k = 0.3359 0.3359-0.0000 ( 1506 PWs) bands (ev): -31.4542 -31.4542 -12.4914 -12.4914 -11.1670 -11.1670 -10.9114 -10.9114 7.0935 7.0935 7.7682 7.7682 8.1390 8.1390 8.2303 8.2303 8.4176 8.4176 8.6050 8.6050 10.7234 10.7234 11.8009 11.8009 12.7771 12.7771 14.0227 14.0227 14.7764 14.7764 k = 0.3281 0.3281-0.0000 ( 1506 PWs) bands (ev): -31.4555 -31.4555 -12.4868 -12.4868 -11.1594 -11.1594 -10.9108 -10.9108 7.0614 7.0614 7.7805 7.7805 8.1475 8.1475 8.2282 8.2282 8.4028 8.4028 8.5672 8.5672 10.7403 10.7403 11.8016 11.8016 12.7720 12.7720 13.9998 13.9998 14.8002 14.8002 k = 0.3203 0.3203-0.0000 ( 1506 PWs) bands (ev): -31.4569 -31.4569 -12.4821 -12.4821 -11.1516 -11.1516 -10.9101 -10.9101 7.0230 7.0230 7.7922 7.7922 8.1560 8.1560 8.2224 8.2224 8.3903 8.3903 8.5335 8.5335 10.7641 10.7641 11.8019 11.8019 12.7655 12.7655 13.9794 13.9794 14.8249 14.8249 k = 0.3125 0.3125-0.0000 ( 1500 PWs) bands (ev): -31.4584 -31.4584 -12.4773 -12.4773 -11.1435 -11.1435 -10.9094 -10.9094 6.9781 6.9781 7.8031 7.8031 8.1642 8.1642 8.2132 8.2132 8.3806 8.3806 8.5045 8.5045 10.7942 10.7942 11.8017 11.8017 12.7581 12.7581 13.9618 13.9618 14.8506 14.8506 k = 0.3047 0.3047-0.0000 ( 1500 PWs) bands (ev): -31.4598 -31.4598 -12.4724 -12.4724 -11.1352 -11.1352 -10.9086 -10.9086 6.9270 6.9270 7.8129 7.8129 8.1708 8.1708 8.2021 8.2021 8.3728 8.3728 8.4804 8.4804 10.8302 10.8302 11.8009 11.8009 12.7504 12.7504 13.9471 13.9471 14.8771 14.8771 k = 0.2969 0.2969-0.0000 ( 1504 PWs) bands (ev): -31.4613 -31.4613 -12.4674 -12.4674 -11.1267 -11.1267 -10.9078 -10.9078 6.8701 6.8701 7.8213 7.8213 8.1701 8.1701 8.1955 8.1955 8.3659 8.3659 8.4618 8.4618 10.8715 10.8715 11.7997 11.7997 12.7432 12.7432 13.9355 13.9355 14.9045 14.9045 k = 0.2891 0.2891-0.0000 ( 1500 PWs) bands (ev): -31.4629 -31.4629 -12.4623 -12.4623 -11.1180 -11.1180 -10.9070 -10.9070 6.8077 6.8077 7.8285 7.8285 8.1572 8.1572 8.1994 8.1994 8.3589 8.3589 8.4490 8.4490 10.9175 10.9175 11.7981 11.7981 12.7371 12.7371 13.9272 13.9272 14.9327 14.9327 k = 0.2812 0.2812-0.0000 ( 1506 PWs) bands (ev): -31.4644 -31.4644 -12.4572 -12.4572 -11.1092 -11.1092 -10.9061 -10.9061 6.7404 6.7404 7.8341 7.8341 8.1395 8.1395 8.2070 8.2070 8.3509 8.3509 8.4412 8.4412 10.9676 10.9676 11.7959 11.7959 12.7328 12.7328 13.9223 13.9223 14.9616 14.9616 k = 0.2734 0.2734-0.0000 ( 1496 PWs) bands (ev): -31.4660 -31.4660 -12.4519 -12.4519 -11.1002 -11.1002 -10.9051 -10.9051 6.6689 6.6689 7.8384 7.8384 8.1205 8.1205 8.2156 8.2156 8.3424 8.3424 8.4379 8.4379 11.0208 11.0208 11.7933 11.7933 12.7314 12.7314 13.9212 13.9212 14.9914 14.9914 k = 0.2656 0.2656-0.0000 ( 1492 PWs) bands (ev): -31.4675 -31.4675 -12.4466 -12.4466 -11.0911 -11.0911 -10.9040 -10.9040 6.5939 6.5939 7.8411 7.8411 8.1010 8.1010 8.2242 8.2242 8.3339 8.3339 8.4376 8.4376 11.0765 11.0765 11.7903 11.7903 12.7335 12.7335 13.9237 13.9237 15.0218 15.0218 k = 0.2578 0.2578-0.0000 ( 1492 PWs) bands (ev): -31.4691 -31.4691 -12.4413 -12.4413 -11.0819 -11.0819 -10.9030 -10.9030 6.5161 6.5161 7.8423 7.8423 8.0812 8.0812 8.2327 8.2327 8.3259 8.3259 8.4391 8.4391 11.1337 11.1337 11.7869 11.7869 12.7402 12.7402 13.9302 13.9302 15.0528 15.0528 k = 0.2500 0.2500-0.0000 ( 1492 PWs) bands (ev): -31.4707 -31.4707 -12.4360 -12.4360 -11.0726 -11.0726 -10.9019 -10.9019 6.4360 6.4360 7.8422 7.8422 8.0612 8.0612 8.2408 8.2408 8.3191 8.3191 8.4417 8.4417 11.1913 11.1913 11.7831 11.7831 12.7525 12.7525 13.9406 13.9406 15.0843 15.0843 k = 0.2422 0.2422-0.0000 ( 1492 PWs) bands (ev): -31.4723 -31.4723 -12.4306 -12.4306 -11.0632 -11.0632 -10.9007 -10.9007 6.3544 6.3544 7.8407 7.8407 8.0412 8.0412 8.2486 8.2486 8.3135 8.3135 8.4448 8.4448 11.2482 11.2482 11.7790 11.7790 12.7713 12.7713 13.9550 13.9550 15.1164 15.1164 k = 0.2344 0.2344-0.0000 ( 1496 PWs) bands (ev): -31.4739 -31.4739 -12.4253 -12.4253 -11.0538 -11.0538 -10.8995 -10.8995 6.2717 6.2717 7.8380 7.8380 8.0210 8.0210 8.2560 8.2560 8.3091 8.3091 8.4481 8.4481 11.3034 11.3034 11.7746 11.7746 12.7978 12.7978 13.9736 13.9736 15.1490 15.1490 k = 0.2266 0.2266-0.0000 ( 1492 PWs) bands (ev): -31.4755 -31.4755 -12.4200 -12.4200 -11.0443 -11.0443 -10.8982 -10.8982 6.1885 6.1885 7.8342 7.8342 8.0008 8.0008 8.2628 8.2628 8.3062 8.3062 8.4515 8.4515 11.3557 11.3557 11.7699 11.7699 12.8329 12.8329 13.9963 13.9963 15.1819 15.1819 k = 0.2188 0.2187-0.0000 ( 1492 PWs) bands (ev): -31.4770 -31.4770 -12.4147 -12.4147 -11.0349 -11.0349 -10.8969 -10.8969 6.1053 6.1053 7.8292 7.8292 7.9805 7.9805 8.2690 8.2690 8.3046 8.3046 8.4546 8.4546 11.4042 11.4042 11.7651 11.7651 12.8775 12.8775 14.0233 14.0233 15.2151 15.2151 k = 0.2109 0.2109-0.0000 ( 1492 PWs) bands (ev): -31.4786 -31.4786 -12.4095 -12.4095 -11.0255 -11.0255 -10.8956 -10.8956 6.0224 6.0224 7.8234 7.8234 7.9602 7.9602 8.2745 8.2745 8.3041 8.3041 8.4576 8.4576 11.4482 11.4482 11.7600 11.7600 12.9321 12.9321 14.0545 14.0545 15.2486 15.2486 k = 0.2031 0.2031-0.0000 ( 1484 PWs) bands (ev): -31.4801 -31.4801 -12.4043 -12.4043 -11.0161 -11.0161 -10.8942 -10.8942 5.9402 5.9402 7.8166 7.8166 7.9400 7.9400 8.2792 8.2792 8.3049 8.3049 8.4603 8.4603 11.4872 11.4872 11.7549 11.7549 12.9970 12.9970 14.0899 14.0899 15.2822 15.2822 k = 0.1953 0.1953-0.0000 ( 1484 PWs) bands (ev): -31.4816 -31.4816 -12.3992 -12.3992 -11.0068 -11.0068 -10.8928 -10.8928 5.8591 5.8591 7.8091 7.8091 7.9199 7.9199 8.2831 8.2831 8.3065 8.3065 8.4625 8.4625 11.5210 11.5210 11.7496 11.7496 13.0721 13.0721 14.1295 14.1295 15.3158 15.3158 k = 0.1875 0.1875-0.0000 ( 1476 PWs) bands (ev): -31.4831 -31.4831 -12.3941 -12.3941 -10.9976 -10.9976 -10.8913 -10.8913 5.7794 5.7794 7.8009 7.8009 7.9002 7.9002 8.2865 8.2865 8.3089 8.3089 8.4645 8.4645 11.5497 11.5497 11.7443 11.7443 13.1572 13.1572 14.1733 14.1733 15.3495 15.3495 k = 0.1797 0.1797-0.0000 ( 1474 PWs) bands (ev): -31.4846 -31.4846 -12.3892 -12.3892 -10.9886 -10.9886 -10.8899 -10.8899 5.7013 5.7013 7.7921 7.7921 7.8805 7.8805 8.2894 8.2894 8.3116 8.3116 8.4661 8.4661 11.5736 11.5736 11.7389 11.7389 13.2517 13.2517 14.2212 14.2212 15.3830 15.3830 k = 0.1719 0.1719-0.0000 ( 1472 PWs) bands (ev): -31.4860 -31.4860 -12.3844 -12.3844 -10.9796 -10.9796 -10.8885 -10.8885 5.6251 5.6251 7.7829 7.7829 7.8612 7.8612 8.2921 8.2921 8.3145 8.3145 8.4674 8.4674 11.5932 11.5932 11.7336 11.7336 13.3547 13.3547 14.2733 14.2733 15.4163 15.4163 k = 0.1641 0.1641-0.0000 ( 1472 PWs) bands (ev): -31.4874 -31.4874 -12.3797 -12.3797 -10.9709 -10.9709 -10.8870 -10.8870 5.5510 5.5510 7.7732 7.7732 7.8422 7.8422 8.2945 8.2945 8.3173 8.3173 8.4684 8.4684 11.6090 11.6090 11.7283 11.7283 13.4654 13.4654 14.3293 14.3293 15.4492 15.4492 k = 0.1562 0.1562-0.0000 ( 1488 PWs) bands (ev): -31.4888 -31.4888 -12.3752 -12.3752 -10.9624 -10.9624 -10.8856 -10.8856 5.4791 5.4791 7.7630 7.7630 7.8236 7.8236 8.2966 8.2966 8.3197 8.3197 8.4691 8.4691 11.6216 11.6216 11.7231 11.7231 13.5829 13.5829 14.3893 14.3893 15.4816 15.4816 k = 0.1484 0.1484-0.0000 ( 1486 PWs) bands (ev): -31.4901 -31.4901 -12.3707 -12.3707 -10.9541 -10.9541 -10.8841 -10.8841 5.4098 5.4098 7.7527 7.7527 7.8057 7.8057 8.2990 8.2990 8.3221 8.3221 8.4697 8.4697 11.6316 11.6316 11.7180 11.7180 13.7063 13.7063 14.4531 14.4531 15.5135 15.5135 k = 0.1406 0.1406-0.0000 ( 1488 PWs) bands (ev): -31.4913 -31.4913 -12.3665 -12.3665 -10.9460 -10.9460 -10.8827 -10.8827 5.3432 5.3432 7.7423 7.7423 7.7883 7.7883 8.3012 8.3012 8.3240 8.3240 8.4700 8.4700 11.6394 11.6394 11.7130 11.7130 13.8346 13.8346 14.5207 14.5207 15.5448 15.5448 k = 0.1328 0.1328-0.0000 ( 1480 PWs) bands (ev): -31.4926 -31.4926 -12.3624 -12.3624 -10.9382 -10.9382 -10.8813 -10.8813 5.2793 5.2793 7.7319 7.7319 7.7717 7.7717 8.3035 8.3035 8.3257 8.3257 8.4704 8.4704 11.6455 11.6455 11.7082 11.7082 13.9671 13.9671 14.5919 14.5919 15.5754 15.5754 k = 0.1250 0.1250-0.0000 ( 1484 PWs) bands (ev): -31.4937 -31.4937 -12.3585 -12.3585 -10.9307 -10.9307 -10.8800 -10.8800 5.2185 5.2185 7.7215 7.7215 7.7556 7.7556 8.3057 8.3057 8.3269 8.3269 8.4705 8.4705 11.6502 11.6502 11.7036 11.7036 14.1028 14.1028 14.6665 14.6665 15.6050 15.6050 k = 0.1172 0.1172-0.0000 ( 1484 PWs) bands (ev): -31.4948 -31.4948 -12.3548 -12.3548 -10.9236 -10.9236 -10.8786 -10.8786 5.1607 5.1607 7.7112 7.7112 7.7403 7.7403 8.3077 8.3077 8.3279 8.3279 8.4706 8.4706 11.6539 11.6539 11.6992 11.6992 14.2409 14.2409 14.7445 14.7445 15.6336 15.6336 k = 0.1094 0.1094-0.0000 ( 1484 PWs) bands (ev): -31.4959 -31.4959 -12.3512 -12.3512 -10.9167 -10.9167 -10.8773 -10.8773 5.1061 5.1061 7.7012 7.7012 7.7257 7.7257 8.3097 8.3097 8.3285 8.3285 8.4707 8.4707 11.6566 11.6566 11.6951 11.6951 14.3806 14.3806 14.8255 14.8255 15.6611 15.6611 k = 0.1016 0.1016-0.0000 ( 1484 PWs) bands (ev): -31.4969 -31.4969 -12.3479 -12.3479 -10.9103 -10.9103 -10.8761 -10.8761 5.0548 5.0548 7.6915 7.6915 7.7120 7.7120 8.3116 8.3116 8.3288 8.3288 8.4708 8.4708 11.6587 11.6587 11.6911 11.6911 14.5211 14.5211 14.9095 14.9095 15.6874 15.6874 k = 0.0938 0.0937-0.0000 ( 1486 PWs) bands (ev): -31.4978 -31.4978 -12.3448 -12.3448 -10.9042 -10.9042 -10.8749 -10.8749 5.0069 5.0069 7.6821 7.6821 7.6990 7.6990 8.3133 8.3133 8.3289 8.3289 8.4708 8.4708 11.6604 11.6604 11.6874 11.6874 14.6615 14.6615 14.9961 14.9961 15.7123 15.7123 k = 0.0859 0.0859-0.0000 ( 1490 PWs) bands (ev): -31.4987 -31.4987 -12.3419 -12.3419 -10.8985 -10.8985 -10.8738 -10.8738 4.9626 4.9626 7.6732 7.6732 7.6870 7.6870 8.3148 8.3148 8.3287 8.3287 8.4709 8.4709 11.6616 11.6616 11.6840 11.6840 14.8008 14.8008 15.0850 15.0850 15.7358 15.7358 k = 0.0781 0.0781-0.0000 ( 1488 PWs) bands (ev): -31.4995 -31.4995 -12.3393 -12.3393 -10.8933 -10.8933 -10.8728 -10.8728 4.9218 4.9218 7.6649 7.6649 7.6759 7.6759 8.3164 8.3164 8.3283 8.3283 8.4710 8.4710 11.6626 11.6626 11.6809 11.6809 14.9380 14.9380 15.1758 15.1758 15.7578 15.7578 k = 0.0703 0.0703-0.0000 ( 1492 PWs) bands (ev): -31.5002 -31.5002 -12.3369 -12.3369 -10.8885 -10.8885 -10.8718 -10.8718 4.8847 4.8847 7.6571 7.6571 7.6658 7.6658 8.3177 8.3177 8.3278 8.3278 8.4711 8.4711 11.6633 11.6633 11.6780 11.6780 15.0719 15.0719 15.2681 15.2681 15.7781 15.7781 k = 0.0625 0.0625-0.0000 ( 1492 PWs) bands (ev): -31.5008 -31.5008 -12.3347 -12.3347 -10.8842 -10.8842 -10.8709 -10.8709 4.8513 4.8513 7.6500 7.6500 7.6567 7.6567 8.3190 8.3190 8.3272 8.3272 8.4712 8.4712 11.6639 11.6639 11.6754 11.6754 15.2013 15.2013 15.3611 15.3611 15.7969 15.7969 k = 0.0547 0.0547-0.0000 ( 1492 PWs) bands (ev): -31.5014 -31.5014 -12.3327 -12.3327 -10.8803 -10.8803 -10.8701 -10.8701 4.8217 4.8217 7.6436 7.6436 7.6486 7.6486 8.3200 8.3200 8.3266 8.3266 8.4714 8.4714 11.6643 11.6643 11.6731 11.6731 15.3246 15.3246 15.4538 15.4538 15.8140 15.8140 k = 0.0469 0.0469-0.0000 ( 1484 PWs) bands (ev): -31.5019 -31.5019 -12.3310 -12.3310 -10.8769 -10.8769 -10.8694 -10.8694 4.7960 4.7960 7.6380 7.6380 7.6417 7.6417 8.3210 8.3210 8.3261 8.3261 8.4716 8.4716 11.6647 11.6647 11.6711 11.6711 15.4402 15.4402 15.5447 15.5447 15.8296 15.8296 k = 0.0391 0.0391-0.0000 ( 1480 PWs) bands (ev): -31.5023 -31.5023 -12.3296 -12.3296 -10.8740 -10.8740 -10.8688 -10.8688 4.7741 4.7741 7.6332 7.6332 7.6358 7.6358 8.3218 8.3218 8.3255 8.3255 8.4717 8.4717 11.6649 11.6649 11.6694 11.6694 15.5461 15.5461 15.6312 15.6312 15.8441 15.8441 k = 0.0312 0.0312-0.0000 ( 1482 PWs) bands (ev): -31.5027 -31.5027 -12.3284 -12.3284 -10.8717 -10.8717 -10.8683 -10.8683 4.7562 4.7562 7.6292 7.6292 7.6309 7.6309 8.3225 8.3225 8.3249 8.3249 8.4718 8.4718 11.6651 11.6651 11.6680 11.6680 15.6402 15.6402 15.7091 15.7091 15.8584 15.8584 k = 0.0234 0.0234-0.0000 ( 1492 PWs) bands (ev): -31.5030 -31.5030 -12.3275 -12.3275 -10.8698 -10.8698 -10.8680 -10.8680 4.7422 4.7422 7.6260 7.6260 7.6269 7.6269 8.3230 8.3230 8.3243 8.3243 8.4718 8.4718 11.6652 11.6652 11.6668 11.6668 15.7200 15.7200 15.7719 15.7719 15.8750 15.8750 k = 0.0156 0.0156-0.0000 ( 1503 PWs) bands (ev): -31.5032 -31.5032 -12.3269 -12.3269 -10.8685 -10.8685 -10.8677 -10.8677 4.7322 4.7322 7.6237 7.6237 7.6241 7.6241 8.3232 8.3232 8.3238 8.3238 8.4718 8.4718 11.6653 11.6653 11.6660 11.6660 15.7818 15.7818 15.8121 15.8121 15.8965 15.8965 k = 0.0078 0.0078-0.0000 ( 1503 PWs) bands (ev): -31.5033 -31.5033 -12.3265 -12.3265 -10.8677 -10.8677 -10.8675 -10.8675 4.7261 4.7261 7.6223 7.6223 7.6224 7.6224 8.3234 8.3234 8.3236 8.3236 8.4718 8.4718 11.6654 11.6654 11.6656 11.6656 15.8217 15.8217 15.8305 15.8305 15.9176 15.9176 k = 0.0000 0.0000 0.0000 ( 1503 PWs) bands (ev): -31.5033 -31.5033 -12.3263 -12.3263 -10.8675 -10.8675 -10.8675 -10.8675 4.7241 4.7241 7.6219 7.6219 7.6219 7.6219 8.3235 8.3235 8.3235 8.3235 8.4718 8.4718 11.6654 11.6654 11.6654 11.6654 15.8355 15.8355 15.8355 15.8355 15.9262 15.9262 k = 0.0000 0.0000 0.0000 ( 1503 PWs) bands (ev): -31.5033 -31.5033 -12.3263 -12.3263 -10.8675 -10.8675 -10.8675 -10.8675 4.7241 4.7241 7.6219 7.6219 7.6219 7.6219 8.3235 8.3235 8.3235 8.3235 8.4718 8.4718 11.6654 11.6654 11.6654 11.6654 15.8355 15.8355 15.8355 15.8355 15.9262 15.9262 k = 0.0063 0.0063 0.0063 ( 1503 PWs) bands (ev): -31.5033 -31.5033 -12.3265 -12.3265 -10.8677 -10.8677 -10.8676 -10.8676 4.7261 4.7261 7.6224 7.6224 7.6224 7.6224 8.3234 8.3234 8.3236 8.3236 8.4718 8.4718 11.6655 11.6655 11.6655 11.6655 15.8218 15.8218 15.8307 15.8307 15.9176 15.9176 k = 0.0127 0.0127 0.0127 ( 1503 PWs) bands (ev): -31.5032 -31.5032 -12.3269 -12.3269 -10.8682 -10.8682 -10.8680 -10.8680 4.7320 4.7320 7.6238 7.6238 7.6239 7.6239 8.3232 8.3232 8.3238 8.3238 8.4718 8.4718 11.6656 11.6656 11.6657 11.6657 15.7804 15.7804 15.8166 15.8166 15.8948 15.8948 k = 0.0190 0.0190 0.0190 ( 1494 PWs) bands (ev): -31.5030 -31.5030 -12.3275 -12.3275 -10.8690 -10.8690 -10.8687 -10.8687 4.7419 4.7419 7.6263 7.6263 7.6265 7.6265 8.3229 8.3229 8.3244 8.3244 8.4718 8.4718 11.6659 11.6659 11.6662 11.6662 15.7128 15.7128 15.7935 15.7935 15.8622 15.8622 k = 0.0253 0.0253 0.0253 ( 1488 PWs) bands (ev): -31.5027 -31.5027 -12.3284 -12.3284 -10.8702 -10.8702 -10.8697 -10.8697 4.7557 4.7557 7.6297 7.6297 7.6301 7.6301 8.3223 8.3223 8.3248 8.3248 8.4717 8.4717 11.6664 11.6664 11.6668 11.6668 15.6241 15.6241 15.7621 15.7621 15.8218 15.8218 k = 0.0316 0.0316 0.0316 ( 1479 PWs) bands (ev): -31.5024 -31.5024 -12.3295 -12.3295 -10.8718 -10.8718 -10.8710 -10.8710 4.7733 4.7733 7.6341 7.6341 7.6347 7.6347 8.3218 8.3218 8.3254 8.3254 8.4717 8.4717 11.6671 11.6671 11.6677 11.6677 15.5199 15.5199 15.7232 15.7232 15.7745 15.7745 k = 0.0380 0.0380 0.0380 ( 1485 PWs) bands (ev): -31.5019 -31.5019 -12.3310 -12.3310 -10.8737 -10.8737 -10.8725 -10.8725 4.7948 4.7948 7.6393 7.6393 7.6400 7.6400 8.3209 8.3209 8.3260 8.3260 8.4715 8.4715 11.6679 11.6679 11.6688 11.6688 15.4051 15.4051 15.6775 15.6775 15.7210 15.7210 k = 0.0443 0.0443 0.0443 ( 1485 PWs) bands (ev): -31.5014 -31.5014 -12.3326 -12.3326 -10.8759 -10.8759 -10.8743 -10.8743 4.8202 4.8202 7.6454 7.6454 7.6464 7.6464 8.3199 8.3199 8.3266 8.3266 8.4714 8.4714 11.6689 11.6689 11.6701 11.6701 15.2829 15.2829 15.6259 15.6259 15.6620 15.6620 k = 0.0506 0.0506 0.0506 ( 1485 PWs) bands (ev): -31.5009 -31.5009 -12.3345 -12.3345 -10.8785 -10.8785 -10.8764 -10.8764 4.8493 4.8493 7.6522 7.6522 7.6536 7.6536 8.3189 8.3189 8.3272 8.3272 8.4713 8.4713 11.6702 11.6702 11.6717 11.6717 15.1559 15.1559 15.5691 15.5691 15.5983 15.5983 k = 0.0570 0.0570 0.0570 ( 1485 PWs) bands (ev): -31.5002 -31.5002 -12.3367 -12.3367 -10.8813 -10.8813 -10.8788 -10.8788 4.8822 4.8822 7.6601 7.6601 7.6619 7.6619 8.3175 8.3175 8.3277 8.3277 8.4712 8.4712 11.6718 11.6718 11.6738 11.6738 15.0258 15.0258 15.5076 15.5076 15.5306 15.5306 k = 0.0633 0.0633 0.0633 ( 1479 PWs) bands (ev): -31.4995 -31.4995 -12.3390 -12.3390 -10.8845 -10.8845 -10.8814 -10.8814 4.9187 4.9187 7.6688 7.6688 7.6710 7.6710 8.3161 8.3161 8.3281 8.3281 8.4711 8.4711 11.6737 11.6737 11.6762 11.6762 14.8941 14.8941 15.4422 15.4422 15.4594 15.4594 k = 0.0696 0.0696 0.0696 ( 1482 PWs) bands (ev): -31.4987 -31.4987 -12.3416 -12.3416 -10.8879 -10.8879 -10.8843 -10.8843 4.9589 4.9589 7.6781 7.6781 7.6808 7.6808 8.3145 8.3145 8.3282 8.3282 8.4709 8.4709 11.6760 11.6760 11.6790 11.6790 14.7620 14.7620 15.3732 15.3732 15.3853 15.3853 k = 0.0759 0.0759 0.0759 ( 1482 PWs) bands (ev): -31.4978 -31.4978 -12.3445 -12.3445 -10.8917 -10.8917 -10.8874 -10.8874 5.0026 5.0026 7.6882 7.6882 7.6914 7.6914 8.3127 8.3127 8.3281 8.3281 8.4707 8.4707 11.6788 11.6788 11.6824 11.6824 14.6303 14.6303 15.3012 15.3012 15.3085 15.3085 k = 0.0823 0.0823 0.0823 ( 1482 PWs) bands (ev): -31.4969 -31.4969 -12.3475 -12.3475 -10.8957 -10.8957 -10.8907 -10.8907 5.0498 5.0498 7.6989 7.6989 7.7028 7.7028 8.3108 8.3108 8.3277 8.3277 8.4704 8.4704 11.6820 11.6820 11.6863 11.6863 14.5000 14.5000 15.2266 15.2266 15.2296 15.2296 k = 0.0886 0.0886 0.0886 ( 1482 PWs) bands (ev): -31.4959 -31.4959 -12.3508 -12.3508 -10.8999 -10.8999 -10.8943 -10.8943 5.1003 5.1003 7.7103 7.7103 7.7148 7.7148 8.3087 8.3087 8.3270 8.3270 8.4701 8.4701 11.6857 11.6857 11.6907 11.6907 14.3716 14.3716 15.1488 15.1488 15.1496 15.1496 k = 0.0949 0.0949 0.0949 ( 1482 PWs) bands (ev): -31.4948 -31.4948 -12.3542 -12.3542 -10.9045 -10.9045 -10.8982 -10.8982 5.1541 5.1541 7.7223 7.7223 7.7274 7.7274 8.3065 8.3065 8.3259 8.3259 8.4697 8.4697 11.6900 11.6900 11.6957 11.6957 14.2458 14.2458 15.0664 15.0664 15.0707 15.0707 k = 0.1013 0.1013 0.1013 ( 1472 PWs) bands (ev): -31.4937 -31.4937 -12.3578 -12.3578 -10.9092 -10.9092 -10.9022 -10.9022 5.2112 5.2112 7.7349 7.7349 7.7408 7.7408 8.3043 8.3043 8.3245 8.3245 8.4691 8.4691 11.6948 11.6948 11.7014 11.7014 14.1231 14.1231 14.9828 14.9828 14.9901 14.9901 k = 0.1076 0.1076 0.1076 ( 1472 PWs) bands (ev): -31.4925 -31.4925 -12.3616 -12.3616 -10.9141 -10.9141 -10.9064 -10.9064 5.2713 5.2713 7.7479 7.7479 7.7546 7.7546 8.3018 8.3018 8.3226 8.3226 8.4682 8.4682 11.7002 11.7002 11.7077 11.7077 14.0041 14.0041 14.8981 14.8981 14.9082 14.9082 k = 0.1139 0.1139 0.1139 ( 1472 PWs) bands (ev): -31.4913 -31.4913 -12.3656 -12.3656 -10.9193 -10.9193 -10.9109 -10.9109 5.3344 5.3344 7.7612 7.7612 7.7688 7.7688 8.2992 8.2992 8.3203 8.3203 8.4670 8.4670 11.7061 11.7061 11.7146 11.7146 13.8892 13.8892 14.8127 14.8127 14.8253 14.8253 k = 0.1203 0.1203 0.1203 ( 1472 PWs) bands (ev): -31.4900 -31.4900 -12.3698 -12.3698 -10.9247 -10.9247 -10.9156 -10.9156 5.4004 5.4004 7.7749 7.7749 7.7834 7.7834 8.2964 8.2964 8.3176 8.3176 8.4654 8.4654 11.7125 11.7125 11.7220 11.7220 13.7788 13.7788 14.7269 14.7269 14.7417 14.7417 k = 0.1266 0.1266 0.1266 ( 1478 PWs) bands (ev): -31.4886 -31.4886 -12.3741 -12.3741 -10.9302 -10.9302 -10.9204 -10.9204 5.4691 5.4691 7.7888 7.7888 7.7982 7.7982 8.2935 8.2935 8.3144 8.3144 8.4632 8.4632 11.7194 11.7194 11.7300 11.7300 13.6733 13.6733 14.6409 14.6409 14.6577 14.6577 k = 0.1329 0.1329 0.1329 ( 1472 PWs) bands (ev): -31.4872 -31.4872 -12.3785 -12.3785 -10.9359 -10.9359 -10.9255 -10.9255 5.5404 5.5404 7.8031 7.8031 7.8134 7.8134 8.2907 8.2907 8.3110 8.3110 8.4605 8.4605 11.7266 11.7266 11.7385 11.7385 13.5732 13.5732 14.5552 14.5552 14.5737 14.5737 k = 0.1392 0.1392 0.1392 ( 1472 PWs) bands (ev): -31.4857 -31.4857 -12.3831 -12.3831 -10.9417 -10.9417 -10.9307 -10.9307 5.6143 5.6143 7.8175 7.8175 7.8288 7.8288 8.2877 8.2877 8.3071 8.3071 8.4571 8.4571 11.7341 11.7341 11.7472 11.7472 13.4787 13.4787 14.4701 14.4701 14.4901 14.4901 k = 0.1456 0.1456 0.1456 ( 1472 PWs) bands (ev): -31.4842 -31.4842 -12.3878 -12.3878 -10.9477 -10.9477 -10.9360 -10.9360 5.6904 5.6904 7.8319 7.8319 7.8442 7.8442 8.2846 8.2846 8.3029 8.3029 8.4530 8.4530 11.7417 11.7417 11.7562 11.7562 13.3903 13.3903 14.3858 14.3858 14.4073 14.4073 k = 0.1519 0.1519 0.1519 ( 1484 PWs) bands (ev): -31.4827 -31.4827 -12.3927 -12.3927 -10.9538 -10.9538 -10.9415 -10.9415 5.7688 5.7688 7.8462 7.8462 7.8595 7.8595 8.2814 8.2814 8.2984 8.2984 8.4479 8.4479 11.7492 11.7492 11.7651 11.7651 13.3081 13.3081 14.3029 14.3029 14.3256 14.3256 k = 0.1582 0.1582 0.1582 ( 1490 PWs) bands (ev): -31.4811 -31.4811 -12.3976 -12.3976 -10.9600 -10.9600 -10.9472 -10.9472 5.8492 5.8492 7.8607 7.8607 7.8749 7.8749 8.2783 8.2783 8.2936 8.2936 8.4420 8.4420 11.7564 11.7564 11.7738 11.7738 13.2325 13.2325 14.2219 14.2219 14.2456 14.2456 k = 0.1646 0.1646 0.1646 ( 1490 PWs) bands (ev): -31.4794 -31.4794 -12.4027 -12.4027 -10.9662 -10.9662 -10.9530 -10.9530 5.9315 5.9315 7.8750 7.8750 7.8902 7.8902 8.2753 8.2753 8.2887 8.2887 8.4352 8.4352 11.7630 11.7630 11.7819 11.7819 13.1637 13.1637 14.1432 14.1432 14.1678 14.1678 k = 0.1709 0.1709 0.1709 ( 1490 PWs) bands (ev): -31.4778 -31.4778 -12.4078 -12.4078 -10.9726 -10.9726 -10.9589 -10.9589 6.0155 6.0155 7.8892 7.8892 7.9052 7.9052 8.2724 8.2724 8.2836 8.2836 8.4275 8.4275 11.7686 11.7686 11.7892 11.7892 13.1021 13.1021 14.0673 14.0673 14.0928 14.0928 k = 0.1772 0.1772 0.1772 ( 1490 PWs) bands (ev): -31.4761 -31.4761 -12.4130 -12.4130 -10.9790 -10.9790 -10.9649 -10.9649 6.1011 6.1011 7.9031 7.9031 7.9198 7.9198 8.2695 8.2695 8.2784 8.2784 8.4188 8.4188 11.7728 11.7728 11.7951 11.7951 13.0477 13.0477 13.9949 13.9949 14.0212 14.0212 k = 0.1835 0.1835 0.1835 ( 1490 PWs) bands (ev): -31.4743 -31.4743 -12.4182 -12.4182 -10.9854 -10.9854 -10.9710 -10.9710 6.1880 6.1880 7.9167 7.9167 7.9340 7.9340 8.2668 8.2668 8.2732 8.2732 8.4092 8.4092 11.7752 11.7752 11.7992 11.7992 13.0008 13.0008 13.9267 13.9267 13.9536 13.9536 k = 0.1899 0.1899 0.1899 ( 1496 PWs) bands (ev): -31.4725 -31.4725 -12.4236 -12.4236 -10.9919 -10.9919 -10.9772 -10.9772 6.2761 6.2761 7.9299 7.9299 7.9474 7.9474 8.2643 8.2643 8.2681 8.2681 8.3986 8.3986 11.7752 11.7752 11.8009 11.8009 12.9614 12.9614 13.8632 13.8632 13.8908 13.8908 k = 0.1962 0.1962 0.1962 ( 1496 PWs) bands (ev): -31.4707 -31.4707 -12.4289 -12.4289 -10.9984 -10.9984 -10.9835 -10.9835 6.3653 6.3653 7.9427 7.9427 7.9602 7.9602 8.2622 8.2622 8.2633 8.2633 8.3874 8.3874 11.7723 11.7723 11.7997 11.7997 12.9298 12.9298 13.8052 13.8052 13.8335 13.8335 k = 0.2025 0.2025 0.2025 ( 1496 PWs) bands (ev): -31.4689 -31.4689 -12.4343 -12.4343 -11.0049 -11.0049 -10.9898 -10.9898 6.4553 6.4553 7.9549 7.9549 7.9719 7.9719 8.2587 8.2587 8.2603 8.2603 8.3754 8.3754 11.7659 11.7659 11.7949 11.7949 12.9060 12.9060 13.7535 13.7535 13.7824 13.7824 k = 0.2089 0.2089 0.2089 ( 1496 PWs) bands (ev): -31.4671 -31.4671 -12.4398 -12.4398 -11.0115 -11.0115 -10.9962 -10.9962 6.5460 6.5460 7.9666 7.9666 7.9825 7.9825 8.2546 8.2546 8.2589 8.2589 8.3629 8.3629 11.7554 11.7554 11.7861 11.7861 12.8900 12.8900 13.7087 13.7087 13.7384 13.7384 k = 0.2152 0.2152 0.2152 ( 1490 PWs) bands (ev): -31.4652 -31.4652 -12.4452 -12.4452 -11.0179 -11.0179 -11.0026 -11.0026 6.6372 6.6372 7.9776 7.9776 7.9918 7.9918 8.2512 8.2512 8.2581 8.2581 8.3502 8.3502 11.7404 11.7404 11.7725 11.7725 12.8819 12.8819 13.6716 13.6716 13.7021 13.7021 k = 0.2215 0.2215 0.2215 ( 1490 PWs) bands (ev): -31.4633 -31.4633 -12.4507 -12.4507 -11.0244 -11.0244 -11.0091 -11.0091 6.7287 6.7287 7.9878 7.9878 7.9994 7.9994 8.2486 8.2486 8.2577 8.2577 8.3373 8.3373 11.7203 11.7203 11.7538 11.7538 12.8816 12.8816 13.6426 13.6426 13.6741 13.6741 k = 0.2278 0.2278 0.2278 ( 1490 PWs) bands (ev): -31.4615 -31.4615 -12.4561 -12.4561 -11.0309 -11.0309 -11.0156 -11.0156 6.8202 6.8202 7.9973 7.9973 8.0051 8.0051 8.2468 8.2468 8.2580 8.2580 8.3244 8.3244 11.6949 11.6949 11.7296 11.7296 12.8892 12.8892 13.6222 13.6222 13.6547 13.6547 k = 0.2342 0.2342 0.2342 ( 1490 PWs) bands (ev): -31.4596 -31.4596 -12.4616 -12.4616 -11.0373 -11.0373 -11.0221 -11.0221 6.9117 6.9117 8.0058 8.0058 8.0088 8.0088 8.2460 8.2460 8.2590 8.2590 8.3121 8.3121 11.6640 11.6640 11.6997 11.6997 12.9044 12.9044 13.6106 13.6106 13.6444 13.6444 k = 0.2405 0.2405 0.2405 ( 1493 PWs) bands (ev): -31.4577 -31.4577 -12.4670 -12.4670 -11.0437 -11.0437 -11.0286 -11.0286 7.0030 7.0030 8.0103 8.0103 8.0134 8.0134 8.2460 8.2460 8.2606 8.2606 8.3007 8.3007 11.6276 11.6276 11.6642 11.6642 12.9273 12.9273 13.6079 13.6079 13.6431 13.6431 k = 0.2468 0.2468 0.2468 ( 1499 PWs) bands (ev): -31.4558 -31.4558 -12.4724 -12.4724 -11.0500 -11.0500 -11.0351 -11.0351 7.0938 7.0938 8.0097 8.0097 8.0202 8.0202 8.2462 8.2462 8.2632 8.2632 8.2909 8.2909 11.5859 11.5859 11.6232 11.6232 12.9577 12.9577 13.6139 13.6139 13.6507 13.6507 k = 0.2532 0.2532 0.2532 ( 1499 PWs) bands (ev): -31.4539 -31.4539 -12.4778 -12.4778 -11.0562 -11.0562 -11.0415 -11.0415 7.1840 7.1840 8.0070 8.0070 8.0260 8.0260 8.2455 8.2455 8.2666 8.2666 8.2841 8.2841 11.5392 11.5392 11.5770 11.5770 12.9954 12.9954 13.6285 13.6285 13.6670 13.6670 k = 0.2595 0.2595 0.2595 ( 1499 PWs) bands (ev): -31.4520 -31.4520 -12.4832 -12.4832 -11.0624 -11.0624 -11.0480 -11.0480 7.2735 7.2735 8.0026 8.0026 8.0309 8.0309 8.2423 8.2423 8.2708 8.2708 8.2817 8.2817 11.4880 11.4880 11.5262 11.5262 13.0404 13.0404 13.6513 13.6513 13.6916 13.6916 k = 0.2658 0.2658 0.2658 ( 1496 PWs) bands (ev): -31.4501 -31.4501 -12.4885 -12.4885 -11.0685 -11.0685 -11.0544 -11.0544 7.3621 7.3621 7.9966 7.9966 8.0350 8.0350 8.2365 8.2365 8.2760 8.2760 8.2840 8.2840 11.4327 11.4327 11.4712 11.4712 13.0923 13.0923 13.6818 13.6818 13.7240 13.7240 k = 0.2722 0.2722 0.2722 ( 1493 PWs) bands (ev): -31.4482 -31.4482 -12.4937 -12.4937 -11.0744 -11.0744 -11.0607 -11.0607 7.4497 7.4497 7.9895 7.9895 8.0382 8.0382 8.2294 8.2294 8.2820 8.2820 8.2894 8.2894 11.3740 11.3740 11.4125 11.4125 13.1510 13.1510 13.7195 13.7195 13.7637 13.7637 k = 0.2785 0.2785 0.2785 ( 1493 PWs) bands (ev): -31.4463 -31.4463 -12.4989 -12.4989 -11.0803 -11.0803 -11.0670 -11.0670 7.5361 7.5361 7.9817 7.9817 8.0407 8.0407 8.2219 8.2219 8.2886 8.2886 8.2968 8.2968 11.3122 11.3122 11.3508 11.3508 13.2163 13.2163 13.7640 13.7640 13.8102 13.8102 k = 0.2848 0.2848 0.2848 ( 1487 PWs) bands (ev): -31.4445 -31.4445 -12.5040 -12.5040 -11.0861 -11.0861 -11.0732 -11.0732 7.6211 7.6211 7.9736 7.9736 8.0426 8.0426 8.2147 8.2147 8.2960 8.2960 8.3055 8.3055 11.2480 11.2480 11.2865 11.2865 13.2878 13.2878 13.8147 13.8147 13.8629 13.8629 k = 0.2911 0.2911 0.2911 ( 1493 PWs) bands (ev): -31.4426 -31.4426 -12.5091 -12.5091 -11.0918 -11.0918 -11.0794 -11.0794 7.7044 7.7044 7.9656 7.9656 8.0438 8.0438 8.2078 8.2078 8.3039 8.3039 8.3150 8.3150 11.1818 11.1818 11.2202 11.2202 13.3652 13.3652 13.8711 13.8711 13.9214 13.9214 k = 0.2975 0.2975 0.2975 ( 1493 PWs) bands (ev): -31.4408 -31.4408 -12.5141 -12.5141 -11.0974 -11.0974 -11.0855 -11.0855 7.7856 7.7856 7.9585 7.9585 8.0447 8.0447 8.2015 8.2015 8.3125 8.3125 8.3253 8.3253 11.1141 11.1141 11.1523 11.1523 13.4482 13.4482 13.9328 13.9328 13.9852 13.9852 k = 0.3038 0.3038 0.3038 ( 1493 PWs) bands (ev): -31.4390 -31.4390 -12.5189 -12.5189 -11.1029 -11.1029 -11.0914 -11.0914 7.8624 7.8624 7.9548 7.9548 8.0451 8.0451 8.1957 8.1957 8.3216 8.3216 8.3360 8.3360 11.0453 11.0453 11.0833 11.0833 13.5364 13.5364 13.9995 13.9995 14.0539 14.0539 k = 0.3101 0.3101 0.3101 ( 1490 PWs) bands (ev): -31.4373 -31.4373 -12.5237 -12.5237 -11.1082 -11.1082 -11.0973 -11.0973 7.9170 7.9170 7.9725 7.9725 8.0453 8.0453 8.1906 8.1906 8.3312 8.3312 8.3472 8.3472 10.9758 10.9758 11.0135 11.0135 13.6292 13.6292 14.0708 14.0708 14.1271 14.1271 k = 0.3165 0.3165 0.3165 ( 1493 PWs) bands (ev): -31.4355 -31.4355 -12.5284 -12.5284 -11.1135 -11.1135 -11.1031 -11.1031 7.9249 7.9249 8.0361 8.0361 8.0452 8.0452 8.1860 8.1860 8.3412 8.3412 8.3587 8.3587 10.9059 10.9059 10.9432 10.9432 13.7260 13.7260 14.1463 14.1463 14.2045 14.2045 k = 0.3228 0.3228 0.3228 ( 1490 PWs) bands (ev): -31.4338 -31.4338 -12.5330 -12.5330 -11.1185 -11.1185 -11.1087 -11.1087 7.9224 7.9224 8.0450 8.0450 8.1095 8.1095 8.1820 8.1820 8.3517 8.3517 8.3707 8.3707 10.8358 10.8358 10.8728 10.8728 13.8261 13.8261 14.2258 14.2258 14.2858 14.2858 k = 0.3291 0.3291 0.3291 ( 1490 PWs) bands (ev): -31.4322 -31.4322 -12.5375 -12.5375 -11.1235 -11.1235 -11.1142 -11.1142 7.9191 7.9191 8.0447 8.0447 8.1778 8.1778 8.1838 8.1838 8.3625 8.3625 8.3830 8.3830 10.7659 10.7659 10.8025 10.8025 13.9283 13.9283 14.3088 14.3088 14.3707 14.3707 k = 0.3354 0.3354 0.3354 ( 1502 PWs) bands (ev): -31.4305 -31.4305 -12.5419 -12.5419 -11.1283 -11.1283 -11.1196 -11.1196 7.9164 7.9164 8.0441 8.0441 8.1754 8.1754 8.2550 8.2550 8.3735 8.3735 8.3961 8.3961 10.6964 10.6964 10.7325 10.7325 14.0314 14.0314 14.3952 14.3952 14.4589 14.4589 k = 0.3418 0.3418 0.3418 ( 1502 PWs) bands (ev): -31.4289 -31.4289 -12.5462 -12.5462 -11.1330 -11.1330 -11.1248 -11.1248 7.9147 7.9147 8.0438 8.0438 8.1731 8.1731 8.3239 8.3239 8.3851 8.3851 8.4112 8.4112 10.6274 10.6274 10.6631 10.6631 14.1332 14.1332 14.4846 14.4846 14.5502 14.5502 k = 0.3481 0.3481 0.3481 ( 1499 PWs) bands (ev): -31.4274 -31.4274 -12.5503 -12.5503 -11.1375 -11.1375 -11.1299 -11.1299 7.9142 7.9142 8.0434 8.0434 8.1712 8.1712 8.3836 8.3836 8.3969 8.3969 8.4344 8.4344 10.5593 10.5593 10.5945 10.5945 14.2306 14.2306 14.5765 14.5765 14.6445 14.6445 k = 0.3544 0.3544 0.3544 ( 1499 PWs) bands (ev): -31.4259 -31.4259 -12.5543 -12.5543 -11.1419 -11.1419 -11.1348 -11.1348 7.9149 7.9149 8.0431 8.0431 8.1698 8.1698 8.4091 8.4091 8.4172 8.4172 8.4824 8.4824 10.4921 10.4921 10.5268 10.5268 14.3188 14.3188 14.6704 14.6704 14.7415 14.7415 k = 0.3608 0.3608 0.3608 ( 1493 PWs) bands (ev): -31.4244 -31.4244 -12.5581 -12.5581 -11.1461 -11.1461 -11.1396 -11.1396 7.9169 7.9169 8.0429 8.0429 8.1690 8.1690 8.4216 8.4216 8.4350 8.4350 8.5452 8.5452 10.4260 10.4260 10.4602 10.4602 14.3903 14.3903 14.7658 14.7658 14.8412 14.8412 k = 0.3671 0.3671 0.3671 ( 1493 PWs) bands (ev): -31.4230 -31.4230 -12.5618 -12.5618 -11.1502 -11.1502 -11.1442 -11.1442 7.9201 7.9201 8.0427 8.0427 8.1685 8.1685 8.4344 8.4344 8.4495 8.4495 8.6101 8.6101 10.3612 10.3612 10.3947 10.3947 14.4341 14.4341 14.8624 14.8624 14.9432 14.9432 k = 0.3734 0.3734 0.3734 ( 1493 PWs) bands (ev): -31.4216 -31.4216 -12.5654 -12.5654 -11.1541 -11.1541 -11.1486 -11.1486 7.9243 7.9243 8.0425 8.0425 8.1685 8.1685 8.4476 8.4476 8.4632 8.4632 8.6746 8.6746 10.2977 10.2977 10.3307 10.3307 14.4390 14.4390 14.9604 14.9604 15.0474 15.0474 k = 0.3797 0.3797 0.3797 ( 1499 PWs) bands (ev): -31.4203 -31.4203 -12.5689 -12.5689 -11.1578 -11.1578 -11.1528 -11.1528 7.9296 7.9296 8.0424 8.0424 8.1687 8.1687 8.4609 8.4609 8.4767 8.4767 8.7384 8.7384 10.2357 10.2357 10.2680 10.2680 14.4002 14.4002 15.0607 15.0607 15.1538 15.1538 k = 0.3861 0.3861 0.3861 ( 1499 PWs) bands (ev): -31.4191 -31.4191 -12.5722 -12.5722 -11.1614 -11.1614 -11.1569 -11.1569 7.9358 7.9358 8.0424 8.0424 8.1694 8.1694 8.4746 8.4746 8.4901 8.4901 8.8012 8.8012 10.1754 10.1754 10.2070 10.2070 14.3235 14.3235 15.1640 15.1640 15.2621 15.2621 k = 0.3924 0.3924 0.3924 ( 1499 PWs) bands (ev): -31.4179 -31.4179 -12.5753 -12.5753 -11.1648 -11.1648 -11.1608 -11.1608 7.9429 7.9429 8.0425 8.0425 8.1705 8.1705 8.4886 8.4886 8.5036 8.5036 8.8629 8.8629 10.1168 10.1168 10.1478 10.1478 14.2206 14.2206 15.2703 15.2703 15.3723 15.3723 k = 0.3987 0.3987 0.3987 ( 1493 PWs) bands (ev): -31.4167 -31.4167 -12.5783 -12.5783 -11.1680 -11.1680 -11.1644 -11.1644 7.9507 7.9507 8.0428 8.0428 8.1719 8.1719 8.5028 8.5028 8.5171 8.5171 8.9235 8.9235 10.0601 10.0601 10.0903 10.0903 14.1021 14.1021 15.3792 15.3792 15.4842 15.4842 k = 0.4051 0.4051 0.4051 ( 1490 PWs) bands (ev): -31.4156 -31.4156 -12.5811 -12.5811 -11.1711 -11.1711 -11.1679 -11.1679 7.9590 7.9590 8.0430 8.0430 8.1736 8.1736 8.5172 8.5172 8.5307 8.5307 8.9829 8.9829 10.0055 10.0055 10.0349 10.0349 13.9755 13.9755 15.4905 15.4905 15.5977 15.5977 k = 0.4114 0.4114 0.4114 ( 1496 PWs) bands (ev): -31.4146 -31.4146 -12.5837 -12.5837 -11.1739 -11.1739 -11.1712 -11.1712 7.9675 7.9675 8.0433 8.0433 8.1755 8.1755 8.5316 8.5316 8.5443 8.5443 9.0411 9.0411 9.9529 9.9529 9.9815 9.9815 13.8460 13.8460 15.6037 15.6037 15.7127 15.7127 k = 0.4177 0.4177 0.4177 ( 1502 PWs) bands (ev): -31.4137 -31.4137 -12.5862 -12.5862 -11.1766 -11.1766 -11.1742 -11.1742 7.9762 7.9762 8.0437 8.0437 8.1776 8.1776 8.5462 8.5462 8.5578 8.5578 9.0979 9.0979 9.9026 9.9026 9.9304 9.9304 13.7167 13.7167 15.7185 15.7185 15.8290 15.8290 k = 0.4241 0.4241 0.4241 ( 1496 PWs) bands (ev): -31.4128 -31.4128 -12.5885 -12.5885 -11.1791 -11.1791 -11.1771 -11.1771 7.9851 7.9851 8.0441 8.0441 8.1799 8.1799 8.5609 8.5609 8.5715 8.5715 9.1531 9.1531 9.8548 9.8548 9.8817 9.8817 13.5899 13.5899 15.8349 15.8349 15.9466 15.9466 k = 0.4304 0.4304 0.4304 ( 1496 PWs) bands (ev): -31.4120 -31.4120 -12.5906 -12.5906 -11.1814 -11.1814 -11.1797 -11.1797 7.9937 7.9937 8.0446 8.0446 8.1823 8.1823 8.5755 8.5755 8.5849 8.5849 9.2065 9.2065 9.8095 9.8095 9.8356 9.8356 13.4674 13.4674 15.9525 15.9525 16.0652 16.0652 k = 0.4367 0.4367 0.4367 ( 1502 PWs) bands (ev): -31.4112 -31.4112 -12.5926 -12.5926 -11.1836 -11.1836 -11.1821 -11.1821 8.0020 8.0020 8.0450 8.0450 8.1848 8.1848 8.5898 8.5898 8.5980 8.5980 9.2578 9.2578 9.7671 9.7671 9.7922 9.7922 13.3506 13.3506 16.0712 16.0712 16.1848 16.1848 k = 0.4430 0.4430 0.4430 ( 1502 PWs) bands (ev): -31.4105 -31.4105 -12.5944 -12.5944 -11.1855 -11.1855 -11.1843 -11.1843 8.0100 8.0100 8.0455 8.0455 8.1873 8.1873 8.6037 8.6037 8.6108 8.6108 9.3067 9.3067 9.7276 9.7276 9.7518 9.7518 13.2406 13.2406 16.1909 16.1909 16.3051 16.3051 k = 0.4494 0.4494 0.4494 ( 1502 PWs) bands (ev): -31.4099 -31.4099 -12.5960 -12.5960 -11.1872 -11.1872 -11.1863 -11.1863 8.0175 8.0175 8.0459 8.0459 8.1899 8.1899 8.6172 8.6172 8.6231 8.6231 9.3526 9.3526 9.6913 9.6913 9.7145 9.7145 13.1384 13.1384 16.3114 16.3114 16.4260 16.4260 k = 0.4557 0.4557 0.4557 ( 1502 PWs) bands (ev): -31.4093 -31.4093 -12.5974 -12.5974 -11.1887 -11.1887 -11.1880 -11.1880 8.0243 8.0243 8.0464 8.0464 8.1923 8.1923 8.6299 8.6299 8.6347 8.6347 9.3952 9.3952 9.6585 9.6585 9.6807 9.6807 13.0452 13.0452 16.4326 16.4326 16.5473 16.5473 k = 0.4620 0.4620 0.4620 ( 1502 PWs) bands (ev): -31.4089 -31.4089 -12.5986 -12.5986 -11.1901 -11.1901 -11.1895 -11.1895 8.0304 8.0304 8.0468 8.0468 8.1946 8.1946 8.6417 8.6417 8.6453 8.6453 9.4337 9.4337 9.6294 9.6294 9.6506 9.6506 12.9619 12.9619 16.5542 16.5542 16.6686 16.6686 k = 0.4684 0.4684 0.4684 ( 1496 PWs) bands (ev): -31.4085 -31.4085 -12.5997 -12.5997 -11.1912 -11.1912 -11.1908 -11.1908 8.0356 8.0356 8.0472 8.0472 8.1967 8.1967 8.6523 8.6523 8.6550 8.6550 9.4676 9.4676 9.6044 9.6044 9.6244 9.6244 12.8895 12.8895 16.6761 16.6761 16.7895 16.7895 k = 0.4747 0.4747 0.4747 ( 1490 PWs) bands (ev): -31.4081 -31.4081 -12.6005 -12.6005 -11.1921 -11.1921 -11.1918 -11.1918 8.0401 8.0401 8.0475 8.0475 8.1985 8.1985 8.6615 8.6615 8.6633 8.6633 9.4959 9.4959 9.5839 9.5839 9.6025 9.6025 12.8287 12.8287 16.7978 16.7978 16.9092 16.9092 k = 0.4810 0.4810 0.4810 ( 1484 PWs) bands (ev): -31.4079 -31.4079 -12.6012 -12.6012 -11.1928 -11.1928 -11.1926 -11.1926 8.0436 8.0436 8.0479 8.0479 8.2001 8.2001 8.6689 8.6689 8.6700 8.6700 9.5175 9.5175 9.5688 9.5688 9.5851 9.5851 12.7805 12.7805 16.9189 16.9189 17.0262 17.0262 k = 0.4873 0.4873 0.4873 ( 1472 PWs) bands (ev): -31.4077 -31.4077 -12.6016 -12.6016 -11.1933 -11.1933 -11.1932 -11.1932 8.0462 8.0462 8.0481 8.0481 8.2013 8.2013 8.6745 8.6745 8.6750 8.6750 9.5303 9.5303 9.5611 9.5611 9.5725 9.5725 12.7455 12.7455 17.0385 17.0385 17.1368 17.1368 k = 0.4937 0.4937 0.4937 ( 1472 PWs) bands (ev): -31.4076 -31.4076 -12.6019 -12.6019 -11.1936 -11.1936 -11.1936 -11.1936 8.0477 8.0477 8.0482 8.0482 8.2019 8.2019 8.6779 8.6779 8.6780 8.6780 9.5333 9.5333 9.5611 9.5611 9.5649 9.5649 12.7243 12.7243 17.1546 17.1547 17.2301 17.2301 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): -31.4075 -31.4075 -12.6020 -12.6020 -11.1937 -11.1937 -11.1937 -11.1937 8.0482 8.0482 8.0482 8.0482 8.2022 8.2022 8.6790 8.6790 8.6790 8.6790 9.5331 9.5331 9.5623 9.5623 9.5623 9.5623 12.7172 12.7172 17.2728 17.2728 17.2728 17.2728 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): -31.4075 -31.4075 -12.6020 -12.6020 -11.1937 -11.1937 -11.1937 -11.1937 8.0482 8.0482 8.0482 8.0482 8.2022 8.2022 8.6790 8.6790 8.6790 8.6790 9.5331 9.5331 9.5623 9.5623 9.5623 9.5623 12.7172 12.7172 17.2727 17.2728 17.2728 17.2728 k = 0.4922 0.5000 0.4922 ( 1472 PWs) bands (ev): -31.4076 -31.4076 -12.6019 -12.6019 -11.1937 -11.1937 -11.1935 -11.1935 8.0477 8.0477 8.0482 8.0482 8.2019 8.2019 8.6774 8.6774 8.6785 8.6785 9.5334 9.5334 9.5612 9.5612 9.5648 9.5648 12.7244 12.7244 17.1484 17.1484 17.2390 17.2390 k = 0.4844 0.5000 0.4844 ( 1472 PWs) bands (ev): -31.4077 -31.4077 -12.6016 -12.6016 -11.1936 -11.1936 -11.1929 -11.1929 8.0463 8.0463 8.0480 8.0480 8.2013 8.2013 8.6726 8.6726 8.6768 8.6768 9.5309 9.5309 9.5609 9.5609 9.5722 9.5722 12.7460 12.7460 17.0168 17.0168 17.1621 17.1621 k = 0.4766 0.5000 0.4766 ( 1480 PWs) bands (ev): -31.4079 -31.4079 -12.6011 -12.6011 -11.1935 -11.1935 -11.1919 -11.1919 8.0438 8.0438 8.0476 8.0476 8.2001 8.2001 8.6647 8.6647 8.6738 8.6738 9.5198 9.5198 9.5673 9.5673 9.5849 9.5849 12.7815 12.7815 16.8777 16.8777 17.0655 17.0655 k = 0.4688 0.5000 0.4687 ( 1484 PWs) bands (ev): -31.4081 -31.4081 -12.6005 -12.6005 -11.1934 -11.1934 -11.1905 -11.1905 8.0405 8.0405 8.0471 8.0471 8.1985 8.1985 8.6541 8.6541 8.6697 8.6697 9.5006 9.5006 9.5799 9.5799 9.6028 9.6028 12.8305 12.8305 16.7356 16.7356 16.9571 16.9571 k = 0.4609 0.5000 0.4609 ( 1488 PWs) bands (ev): -31.4085 -31.4085 -12.5996 -12.5996 -11.1932 -11.1932 -11.1887 -11.1887 8.0363 8.0363 8.0464 8.0464 8.1966 8.1966 8.6412 8.6412 8.6643 8.6643 9.4757 9.4757 9.5969 9.5969 9.6257 9.6257 12.8922 12.8922 16.5925 16.5925 16.8397 16.8397 k = 0.4531 0.5000 0.4531 ( 1500 PWs) bands (ev): -31.4089 -31.4089 -12.5986 -12.5986 -11.1929 -11.1929 -11.1865 -11.1865 8.0312 8.0312 8.0455 8.0455 8.1943 8.1943 8.6262 8.6262 8.6575 8.6575 9.4467 9.4467 9.6173 9.6173 9.6534 9.6534 12.9658 12.9658 16.4495 16.4495 16.7150 16.7150 k = 0.4453 0.5000 0.4453 ( 1512 PWs) bands (ev): -31.4094 -31.4094 -12.5974 -12.5974 -11.1927 -11.1927 -11.1839 -11.1839 8.0253 8.0253 8.0445 8.0445 8.1917 8.1917 8.6096 8.6096 8.6491 8.6491 9.4146 9.4146 9.6407 9.6407 9.6854 9.6854 13.0506 13.0506 16.3071 16.3071 16.5844 16.5844 k = 0.4375 0.5000 0.4375 ( 1512 PWs) bands (ev): -31.4099 -31.4099 -12.5960 -12.5960 -11.1924 -11.1924 -11.1809 -11.1809 8.0188 8.0188 8.0435 8.0435 8.1890 8.1890 8.5918 8.5918 8.6393 8.6393 9.3805 9.3805 9.6669 9.6669 9.7213 9.7213 13.1456 13.1456 16.1656 16.1656 16.4492 16.4492 k = 0.4297 0.5000 0.4297 ( 1512 PWs) bands (ev): -31.4106 -31.4106 -12.5944 -12.5944 -11.1920 -11.1920 -11.1776 -11.1776 8.0116 8.0116 8.0423 8.0423 8.1861 8.1861 8.5731 8.5731 8.6278 8.6278 9.3454 9.3454 9.6956 9.6956 9.7606 9.7606 13.2500 13.2500 16.0253 16.0253 16.3105 16.3105 k = 0.4219 0.5000 0.4219 ( 1512 PWs) bands (ev): -31.4112 -31.4112 -12.5926 -12.5926 -11.1916 -11.1916 -11.1738 -11.1738 8.0039 8.0039 8.0409 8.0409 8.1829 8.1829 8.5536 8.5536 8.6145 8.6145 9.3102 9.3102 9.7265 9.7265 9.8030 9.8030 13.3631 13.3631 15.8863 15.8863 16.1695 16.1695 k = 0.4141 0.5000 0.4141 ( 1512 PWs) bands (ev): -31.4120 -31.4120 -12.5907 -12.5907 -11.1911 -11.1911 -11.1697 -11.1697 7.9956 7.9956 8.0394 8.0394 8.1796 8.1796 8.5336 8.5336 8.5995 8.5995 9.2757 9.2757 9.7592 9.7592 9.8483 9.8483 13.4840 13.4840 15.7488 15.7488 16.0271 16.0271 k = 0.4062 0.5000 0.4062 ( 1504 PWs) bands (ev): -31.4128 -31.4128 -12.5886 -12.5886 -11.1905 -11.1905 -11.1652 -11.1652 7.9870 7.9870 8.0377 8.0377 8.1761 8.1761 8.5134 8.5134 8.5827 8.5827 9.2426 9.2426 9.7934 9.7934 9.8961 9.8961 13.6120 13.6120 15.6127 15.6127 15.8845 15.8845 k = 0.3984 0.5000 0.3984 ( 1500 PWs) bands (ev): -31.4137 -31.4137 -12.5864 -12.5864 -11.1900 -11.1900 -11.1604 -11.1604 7.9780 7.9780 8.0359 8.0359 8.1723 8.1723 8.4928 8.4928 8.5643 8.5643 9.2115 9.2115 9.8287 9.8287 9.9463 9.9463 13.7465 13.7465 15.4783 15.4783 15.7426 15.7426 k = 0.3906 0.5000 0.3906 ( 1500 PWs) bands (ev): -31.4146 -31.4146 -12.5840 -12.5840 -11.1893 -11.1893 -11.1553 -11.1553 7.9686 7.9686 8.0337 8.0337 8.1682 8.1682 8.4720 8.4720 8.5445 8.5445 9.1827 9.1827 9.8646 9.8646 9.9987 9.9987 13.8869 13.8869 15.3455 15.3455 15.6022 15.6022 k = 0.3828 0.5000 0.3828 ( 1496 PWs) bands (ev): -31.4156 -31.4156 -12.5815 -12.5815 -11.1887 -11.1887 -11.1498 -11.1498 7.9589 7.9589 8.0314 8.0314 8.1638 8.1638 8.4511 8.4511 8.5237 8.5237 9.1566 9.1566 9.9008 9.9008 10.0532 10.0532 14.0324 14.0324 15.2144 15.2144 15.4643 15.4643 k = 0.3750 0.5000 0.3750 ( 1500 PWs) bands (ev): -31.4167 -31.4167 -12.5789 -12.5789 -11.1879 -11.1879 -11.1440 -11.1440 7.9490 7.9490 8.0287 8.0287 8.1589 8.1589 8.4299 8.4299 8.5025 8.5025 9.1331 9.1331 9.9366 9.9366 10.1095 10.1095 14.1824 14.1824 15.0852 15.0852 15.3296 15.3296 k = 0.3672 0.5000 0.3672 ( 1492 PWs) bands (ev): -31.4178 -31.4178 -12.5761 -12.5761 -11.1872 -11.1872 -11.1378 -11.1378 7.9389 7.9389 8.0258 8.0258 8.1536 8.1536 8.4086 8.4086 8.4813 8.4813 9.1124 9.1124 9.9717 9.9717 10.1676 10.1676 14.3362 14.3362 14.9579 14.9579 15.1992 15.1992 k = 0.3594 0.5000 0.3594 ( 1494 PWs) bands (ev): -31.4190 -31.4190 -12.5733 -12.5733 -11.1863 -11.1863 -11.1314 -11.1314 7.9285 7.9285 8.0225 8.0225 8.1476 8.1476 8.3872 8.3872 8.4608 8.4608 9.0944 9.0944 10.0054 10.0054 10.2274 10.2274 14.4929 14.4929 14.8325 14.8325 15.0737 15.0737 k = 0.3516 0.5000 0.3516 ( 1494 PWs) bands (ev): -31.4202 -31.4202 -12.5703 -12.5703 -11.1854 -11.1854 -11.1247 -11.1247 7.9179 7.9179 8.0188 8.0188 8.1410 8.1410 8.3659 8.3659 8.4413 8.4413 9.0787 9.0787 10.0371 10.0371 10.2888 10.2888 14.6496 14.6496 14.7109 14.7109 14.9540 14.9540 k = 0.3438 0.5000 0.3437 ( 1498 PWs) bands (ev): -31.4214 -31.4214 -12.5672 -12.5672 -11.1845 -11.1845 -11.1177 -11.1177 7.9070 7.9070 8.0145 8.0145 8.1335 8.1335 8.3451 8.3451 8.4232 8.4232 9.0653 9.0653 10.0662 10.0662 10.3516 10.3516 14.5863 14.5863 14.8103 14.8103 14.8424 14.8424 k = 0.3359 0.5000 0.3359 ( 1498 PWs) bands (ev): -31.4227 -31.4227 -12.5641 -12.5641 -11.1835 -11.1835 -11.1105 -11.1105 7.8958 7.8958 8.0098 8.0098 8.1253 8.1253 8.3254 8.3254 8.4066 8.4066 9.0539 9.0539 10.0920 10.0920 10.4158 10.4158 14.4669 14.4669 14.7351 14.7351 14.9687 14.9687 k = 0.3281 0.5000 0.3281 ( 1498 PWs) bands (ev): -31.4241 -31.4241 -12.5609 -12.5609 -11.1824 -11.1824 -11.1030 -11.1030 7.8842 7.8842 8.0044 8.0044 8.1164 8.1164 8.3071 8.3071 8.3915 8.3915 9.0443 9.0443 10.1139 10.1139 10.4814 10.4814 14.3491 14.3491 14.6381 14.6381 15.1194 15.1194 k = 0.3203 0.5000 0.3203 ( 1502 PWs) bands (ev): -31.4255 -31.4255 -12.5576 -12.5576 -11.1813 -11.1813 -11.0953 -11.0953 7.8721 7.8721 7.9982 7.9982 8.1070 8.1070 8.2907 8.2907 8.3779 8.3779 9.0363 9.0363 10.1312 10.1312 10.5482 10.5482 14.2332 14.2332 14.5502 14.5502 15.2568 15.2568 k = 0.3125 0.5000 0.3125 ( 1502 PWs) bands (ev): -31.4269 -31.4269 -12.5543 -12.5543 -11.1801 -11.1801 -11.0874 -11.0874 7.8595 7.8595 7.9913 7.9913 8.0974 8.0974 8.2764 8.2764 8.3659 8.3659 9.0297 9.0297 10.1434 10.1434 10.6162 10.6162 14.1191 14.1191 14.4722 14.4722 15.3685 15.3685 k = 0.3047 0.5000 0.3047 ( 1498 PWs) bands (ev): -31.4283 -31.4283 -12.5509 -12.5509 -11.1789 -11.1789 -11.0793 -11.0793 7.8462 7.8462 7.9838 7.9838 8.0880 8.0880 8.2643 8.2643 8.3553 8.3553 9.0243 9.0243 10.1498 10.1498 10.6853 10.6853 14.0068 14.0068 14.4048 14.4048 15.4384 15.4384 k = 0.2969 0.5000 0.2969 ( 1496 PWs) bands (ev): -31.4298 -31.4298 -12.5474 -12.5474 -11.1776 -11.1776 -11.0710 -11.0710 7.8323 7.8323 7.9757 7.9757 8.0791 8.0791 8.2540 8.2540 8.3460 8.3460 9.0199 9.0199 10.1500 10.1500 10.7554 10.7554 13.8963 13.8963 14.3484 14.3484 15.4569 15.4569 k = 0.2891 0.5000 0.2891 ( 1500 PWs) bands (ev): -31.4312 -31.4312 -12.5440 -12.5440 -11.1762 -11.1762 -11.0626 -11.0626 7.8175 7.8175 7.9671 7.9671 8.0709 8.0709 8.2454 8.2454 8.3381 8.3381 9.0165 9.0165 10.1436 10.1436 10.8265 10.8265 13.7877 13.7877 14.3036 14.3036 15.4315 15.4315 k = 0.2812 0.5000 0.2812 ( 1500 PWs) bands (ev): -31.4327 -31.4327 -12.5406 -12.5406 -11.1748 -11.1748 -11.0540 -11.0540 7.8020 7.8020 7.9586 7.9586 8.0637 8.0637 8.2383 8.2383 8.3314 8.3314 9.0139 9.0139 10.1304 10.1304 10.8984 10.8984 13.6810 13.6810 14.2703 14.2703 15.3774 15.3774 k = 0.2734 0.5000 0.2734 ( 1500 PWs) bands (ev): -31.4343 -31.4343 -12.5371 -12.5371 -11.1733 -11.1733 -11.0453 -11.0453 7.7860 7.7860 7.9503 7.9503 8.0573 8.0573 8.2325 8.2325 8.3260 8.3260 9.0120 9.0120 10.1102 10.1102 10.9711 10.9711 13.5763 13.5763 14.2488 14.2488 15.3063 15.3063 k = 0.2656 0.5000 0.2656 ( 1500 PWs) bands (ev): -31.4358 -31.4358 -12.5336 -12.5336 -11.1718 -11.1718 -11.0365 -11.0365 7.7696 7.7696 7.9425 7.9425 8.0516 8.0516 8.2277 8.2277 8.3218 8.3218 9.0108 9.0108 10.0833 10.0833 11.0445 11.0445 13.4736 13.4736 14.2388 14.2388 15.2254 15.2254 k = 0.2578 0.5000 0.2578 ( 1500 PWs) bands (ev): -31.4373 -31.4373 -12.5302 -12.5302 -11.1703 -11.1703 -11.0276 -11.0276 7.7529 7.7529 7.9354 7.9354 8.0467 8.0467 8.2238 8.2238 8.3188 8.3188 9.0102 9.0102 10.0497 10.0497 11.1185 11.1185 13.3730 13.3730 14.2401 14.2401 15.1385 15.1385 k = 0.2500 0.5000 0.2500 ( 1488 PWs) bands (ev): -31.4388 -31.4388 -12.5268 -12.5268 -11.1686 -11.1686 -11.0187 -11.0187 7.7362 7.7362 7.9291 7.9291 8.0424 8.0424 8.2209 8.2209 8.3169 8.3169 9.0102 9.0102 10.0099 10.0099 11.1930 11.1930 13.2745 13.2745 14.2520 14.2520 15.0479 15.0479 k = 0.2422 0.5000 0.2422 ( 1496 PWs) bands (ev): -31.4404 -31.4404 -12.5234 -12.5234 -11.1670 -11.1670 -11.0097 -11.0097 7.7196 7.7196 7.9234 7.9234 8.0385 8.0385 8.2186 8.2186 8.3160 8.3160 9.0105 9.0105 9.9643 9.9643 11.2680 11.2680 13.1780 13.1780 14.2740 14.2740 14.9550 14.9550 k = 0.2344 0.5000 0.2344 ( 1504 PWs) bands (ev): -31.4419 -31.4419 -12.5201 -12.5201 -11.1653 -11.1653 -11.0008 -11.0008 7.7034 7.7034 7.9185 7.9185 8.0350 8.0350 8.2170 8.2170 8.3159 8.3159 9.0112 9.0112 9.9134 9.9134 11.3433 11.3433 13.0838 13.0838 14.3054 14.3054 14.8608 14.8608 k = 0.2266 0.5000 0.2266 ( 1504 PWs) bands (ev): -31.4435 -31.4435 -12.5168 -12.5168 -11.1635 -11.1635 -10.9918 -10.9918 7.6877 7.6877 7.9144 7.9144 8.0320 8.0320 8.2161 8.2161 8.3169 8.3169 9.0124 9.0124 9.8580 9.8580 11.4187 11.4187 12.9919 12.9919 14.3452 14.3452 14.7660 14.7660 k = 0.2188 0.5000 0.2187 ( 1504 PWs) bands (ev): -31.4450 -31.4450 -12.5135 -12.5135 -11.1617 -11.1617 -10.9828 -10.9828 7.6726 7.6726 7.9111 7.9111 8.0293 8.0293 8.2159 8.2159 8.3188 8.3188 9.0140 9.0140 9.7987 9.7987 11.4943 11.4943 12.9022 12.9022 14.3923 14.3923 14.6712 14.6712 k = 0.2109 0.5000 0.2109 ( 1504 PWs) bands (ev): -31.4465 -31.4465 -12.5104 -12.5104 -11.1599 -11.1599 -10.9739 -10.9739 7.6582 7.6582 7.9085 7.9085 8.0268 8.0268 8.2162 8.2162 8.3215 8.3215 9.0159 9.0159 9.7361 9.7361 11.5699 11.5699 12.8149 12.8149 14.4446 14.4446 14.5782 14.5782 k = 0.2031 0.5000 0.2031 ( 1504 PWs) bands (ev): -31.4480 -31.4480 -12.5073 -12.5073 -11.1581 -11.1581 -10.9651 -10.9651 7.6446 7.6446 7.9066 7.9066 8.0247 8.0247 8.2172 8.2172 8.3250 8.3250 9.0180 9.0180 9.6709 9.6709 11.6453 11.6453 12.7299 12.7299 14.4659 14.4659 14.5226 14.5226 k = 0.1953 0.5000 0.1953 ( 1500 PWs) bands (ev): -31.4494 -31.4494 -12.5042 -12.5042 -11.1562 -11.1562 -10.9563 -10.9563 7.6318 7.6318 7.9053 7.9053 8.0228 8.0228 8.2188 8.2188 8.3293 8.3293 9.0204 9.0204 9.6038 9.6038 11.7204 11.7204 12.6474 12.6474 14.3818 14.3818 14.5780 14.5780 k = 0.1875 0.5000 0.1875 ( 1500 PWs) bands (ev): -31.4509 -31.4509 -12.5013 -12.5013 -11.1544 -11.1544 -10.9477 -10.9477 7.6197 7.6197 7.9047 7.9047 8.0211 8.0211 8.2208 8.2208 8.3341 8.3341 9.0230 9.0230 9.5354 9.5354 11.7951 11.7951 12.5674 12.5674 14.2899 14.2899 14.6463 14.6463 k = 0.1797 0.5000 0.1797 ( 1500 PWs) bands (ev): -31.4523 -31.4523 -12.4985 -12.4985 -11.1525 -11.1525 -10.9392 -10.9392 7.6085 7.6085 7.9048 7.9048 8.0197 8.0197 8.2234 8.2234 8.3396 8.3396 9.0256 9.0256 9.4663 9.4663 11.8691 11.8691 12.4899 12.4899 14.1983 14.1983 14.7186 14.7186 k = 0.1719 0.5000 0.1719 ( 1504 PWs) bands (ev): -31.4537 -31.4537 -12.4957 -12.4957 -11.1506 -11.1506 -10.9309 -10.9309 7.5980 7.5980 7.9054 7.9054 8.0184 8.0184 8.2264 8.2264 8.3456 8.3456 9.0282 9.0282 9.3971 9.3971 11.9424 11.9424 12.4151 12.4151 14.1079 14.1079 14.7934 14.7934 k = 0.1641 0.5000 0.1641 ( 1518 PWs) bands (ev): -31.4550 -31.4550 -12.4931 -12.4931 -11.1488 -11.1488 -10.9228 -10.9228 7.5883 7.5883 7.9066 7.9066 8.0173 8.0173 8.2299 8.2299 8.3519 8.3519 9.0304 9.0304 9.3285 9.3285 12.0147 12.0147 12.3429 12.3429 14.0191 14.0191 14.8698 14.8698 k = 0.1562 0.5000 0.1562 ( 1506 PWs) bands (ev): -31.4563 -31.4563 -12.4905 -12.4905 -11.1469 -11.1469 -10.9149 -10.9149 7.5794 7.5794 7.9086 7.9086 8.0167 8.0167 8.2338 8.2338 8.3590 8.3590 9.0319 9.0319 9.2616 9.2616 12.0857 12.0857 12.2737 12.2737 13.9321 13.9321 14.9471 14.9471 k = 0.1484 0.5000 0.1484 ( 1498 PWs) bands (ev): -31.4576 -31.4576 -12.4881 -12.4881 -11.1451 -11.1451 -10.9072 -10.9072 7.5713 7.5713 7.9111 7.9111 8.0162 8.0162 8.2382 8.2382 8.3664 8.3664 9.0311 9.0311 9.1980 9.1980 12.1541 12.1541 12.2085 12.2085 13.8472 13.8472 15.0243 15.0243 k = 0.1406 0.5000 0.1406 ( 1498 PWs) bands (ev): -31.4588 -31.4588 -12.4858 -12.4858 -11.1433 -11.1433 -10.8997 -10.8997 7.5638 7.5638 7.9142 7.9142 8.0159 8.0159 8.2426 8.2426 8.3739 8.3739 9.0241 9.0241 9.1420 9.1420 12.1411 12.1411 12.2260 12.2260 13.7646 13.7646 15.1008 15.1008 k = 0.1328 0.5000 0.1328 ( 1498 PWs) bands (ev): -31.4599 -31.4599 -12.4836 -12.4836 -11.1415 -11.1415 -10.8925 -10.8925 7.5569 7.5569 7.9179 7.9179 8.0158 8.0158 8.2473 8.2473 8.3817 8.3817 9.0010 9.0010 9.1037 9.1037 12.0809 12.0809 12.2919 12.2919 13.6845 13.6845 15.1758 15.1758 k = 0.1250 0.5000 0.1250 ( 1498 PWs) bands (ev): -31.4611 -31.4611 -12.4815 -12.4815 -11.1398 -11.1398 -10.8856 -10.8856 7.5507 7.5507 7.9221 7.9221 8.0161 8.0161 8.2522 8.2522 8.3897 8.3897 8.9572 8.9572 9.0882 9.0882 12.0231 12.0231 12.3565 12.3565 13.6072 13.6072 15.2487 15.2487 k = 0.1172 0.5000 0.1172 ( 1488 PWs) bands (ev): -31.4621 -31.4621 -12.4795 -12.4795 -11.1381 -11.1381 -10.8790 -10.8790 7.5450 7.5450 7.9270 7.9270 8.0168 8.0168 8.2571 8.2571 8.3976 8.3976 8.9033 8.9033 9.0849 9.0849 11.9682 11.9682 12.4189 12.4189 13.5330 13.5330 15.3190 15.3190 k = 0.1094 0.5000 0.1094 ( 1488 PWs) bands (ev): -31.4631 -31.4631 -12.4777 -12.4777 -11.1365 -11.1365 -10.8728 -10.8728 7.5399 7.5399 7.9323 7.9323 8.0178 8.0178 8.2619 8.2619 8.4055 8.4055 8.8471 8.8471 9.0862 9.0862 11.9164 11.9164 12.4789 12.4789 13.4620 13.4620 15.3861 15.3861 k = 0.1016 0.5000 0.1016 ( 1492 PWs) bands (ev): -31.4641 -31.4641 -12.4760 -12.4760 -11.1350 -11.1350 -10.8669 -10.8669 7.5353 7.5353 7.9379 7.9379 8.0193 8.0193 8.2666 8.2666 8.4130 8.4130 8.7915 8.7915 9.0895 9.0895 11.8678 11.8678 12.5363 12.5363 13.3945 13.3945 15.4495 15.4495 k = 0.0938 0.5000 0.0937 ( 1486 PWs) bands (ev): -31.4650 -31.4650 -12.4743 -12.4743 -11.1336 -11.1336 -10.8613 -10.8613 7.5312 7.5312 7.9438 7.9438 8.0215 8.0215 8.2711 8.2711 8.4203 8.4203 8.7378 8.7378 9.0937 9.0937 11.8224 11.8224 12.5907 12.5907 13.3307 13.3307 15.5089 15.5089 k = 0.0859 0.5000 0.0859 ( 1486 PWs) bands (ev): -31.4658 -31.4658 -12.4729 -12.4729 -11.1322 -11.1322 -10.8562 -10.8562 7.5274 7.5274 7.9498 7.9498 8.0245 8.0245 8.2753 8.2753 8.4268 8.4268 8.6867 8.6867 9.0983 9.0983 11.7803 11.7803 12.6419 12.6419 13.2710 13.2710 15.5640 15.5640 k = 0.0781 0.5000 0.0781 ( 1498 PWs) bands (ev): -31.4666 -31.4666 -12.4716 -12.4716 -11.1310 -11.1310 -10.8514 -10.8514 7.5241 7.5241 7.9556 7.9556 8.0285 8.0285 8.2789 8.2789 8.4322 8.4322 8.6387 8.6387 9.1030 9.1030 11.7416 11.7416 12.6896 12.6896 13.2155 13.2155 15.6144 15.6144 k = 0.0703 0.5000 0.0703 ( 1498 PWs) bands (ev): -31.4673 -31.4673 -12.4703 -12.4703 -11.1298 -11.1298 -10.8471 -10.8471 7.5212 7.5212 7.9611 7.9611 8.0340 8.0340 8.2819 8.2819 8.4360 8.4360 8.5949 8.5949 9.1079 9.1079 11.7063 11.7063 12.7336 12.7336 13.1645 13.1645 15.6600 15.6600 k = 0.0625 0.5000 0.0625 ( 1494 PWs) bands (ev): -31.4679 -31.4679 -12.4693 -12.4693 -11.1287 -11.1287 -10.8431 -10.8431 7.5187 7.5187 7.9662 7.9662 8.0412 8.0412 8.2840 8.2840 8.4370 8.4370 8.5568 8.5568 9.1126 9.1126 11.6746 11.6746 12.7735 12.7735 13.1184 13.1184 15.7008 15.7008 k = 0.0547 0.5000 0.0547 ( 1494 PWs) bands (ev): -31.4684 -31.4684 -12.4683 -12.4683 -11.1278 -11.1278 -10.8396 -10.8396 7.5165 7.5165 7.9704 7.9704 8.0500 8.0500 8.2848 8.2848 8.4328 8.4328 8.5268 8.5268 9.1170 9.1170 11.6465 11.6465 12.8091 12.8091 13.0774 13.0774 15.7366 15.7366 k = 0.0469 0.5000 0.0469 ( 1490 PWs) bands (ev): -31.4689 -31.4689 -12.4675 -12.4675 -11.1269 -11.1269 -10.8366 -10.8366 7.5146 7.5146 7.9739 7.9739 8.0605 8.0605 8.2838 8.2838 8.4214 8.4214 8.5079 8.5079 9.1212 9.1212 11.6220 11.6220 12.8400 12.8400 13.0418 13.0418 15.7675 15.7675 k = 0.0391 0.5000 0.0391 ( 1490 PWs) bands (ev): -31.4693 -31.4693 -12.4668 -12.4668 -11.1262 -11.1262 -10.8340 -10.8340 7.5131 7.5131 7.9765 7.9765 8.0725 8.0725 8.2802 8.2802 8.4044 8.4044 8.4991 8.4991 9.1248 9.1248 11.6012 11.6012 12.8658 12.8658 13.0121 13.0121 15.7935 15.7935 k = 0.0312 0.5000 0.0312 ( 1490 PWs) bands (ev): -31.4697 -31.4697 -12.4662 -12.4662 -11.1256 -11.1256 -10.8318 -10.8318 7.5118 7.5118 7.9785 7.9785 8.0856 8.0856 8.2734 8.2734 8.3872 8.3872 8.4960 8.4960 9.1280 9.1280 11.5841 11.5841 12.8857 12.8857 12.9890 12.9890 15.8146 15.8146 k = 0.0234 0.5000 0.0234 ( 1494 PWs) bands (ev): -31.4699 -31.4699 -12.4657 -12.4657 -11.1251 -11.1251 -10.8302 -10.8302 7.5108 7.5108 7.9799 7.9799 8.0990 8.0990 8.2633 8.2633 8.3736 8.3736 8.4953 8.4953 9.1305 9.1305 11.5707 11.5707 12.8989 12.8989 12.9732 12.9732 15.8309 15.8309 k = 0.0156 0.5000 0.0156 ( 1494 PWs) bands (ev): -31.4701 -31.4701 -12.4654 -12.4654 -11.1248 -11.1248 -10.8290 -10.8290 7.5102 7.5102 7.9809 7.9809 8.1117 8.1117 8.2517 8.2517 8.3648 8.3648 8.4955 8.4955 9.1323 9.1323 11.5612 11.5612 12.9051 12.9051 12.9652 12.9652 15.8425 15.8425 k = 0.0078 0.5000 0.0078 ( 1504 PWs) bands (ev): -31.4702 -31.4702 -12.4653 -12.4653 -11.1246 -11.1246 -10.8283 -10.8283 7.5097 7.5097 7.9813 7.9813 8.1213 8.1213 8.2419 8.2419 8.3600 8.3600 8.4958 8.4958 9.1333 9.1333 11.5554 11.5554 12.9064 12.9064 12.9628 12.9628 15.8494 15.8494 k = 0.0000 0.5000-0.0000 ( 1510 PWs) bands (ev): -31.4703 -31.4703 -12.4652 -12.4652 -11.1246 -11.1246 -10.8280 -10.8280 7.5095 7.5095 7.9814 7.9814 8.1250 8.1250 8.2380 8.2380 8.3585 8.3585 8.4959 8.4959 9.1337 9.1337 11.5535 11.5535 12.9063 12.9063 12.9625 12.9625 15.8517 15.8517 k = 0.5000 0.5000-0.0000 ( 1492 PWs) bands (ev): -31.4386 -31.4386 -12.5425 -12.5425 -11.2500 -11.2500 -10.9160 -10.9160 7.0803 7.0803 7.6132 7.6132 8.0320 8.0320 8.1378 8.1378 8.6565 8.6565 9.1581 9.1581 11.6979 11.6979 11.8073 11.8073 12.0777 12.0777 14.5129 14.5129 14.5375 14.5375 k = 0.5000 0.5000 0.0109 ( 1492 PWs) bands (ev): -31.4386 -31.4386 -12.5425 -12.5425 -11.2499 -11.2499 -10.9164 -10.9164 7.0816 7.0816 7.6139 7.6139 8.0320 8.0320 8.1378 8.1378 8.6565 8.6565 9.1583 9.1583 11.6935 11.6935 11.8024 11.8024 12.0804 12.0804 14.5179 14.5179 14.5430 14.5430 k = 0.5000 0.5000 0.0217 ( 1500 PWs) bands (ev): -31.4385 -31.4385 -12.5427 -12.5427 -11.2497 -11.2497 -10.9175 -10.9175 7.0856 7.0856 7.6161 7.6161 8.0319 8.0319 8.1377 8.1377 8.6565 8.6565 9.1586 9.1586 11.6803 11.6803 11.7878 11.7878 12.0884 12.0884 14.5325 14.5325 14.5591 14.5591 k = 0.5000 0.5000 0.0326 ( 1500 PWs) bands (ev): -31.4383 -31.4383 -12.5429 -12.5429 -11.2494 -11.2494 -10.9193 -10.9193 7.0923 7.0923 7.6198 7.6198 8.0319 8.0319 8.1376 8.1376 8.6567 8.6567 9.1593 9.1593 11.6587 11.6587 11.7640 11.7640 12.1019 12.1019 14.5566 14.5566 14.5858 14.5858 k = 0.5000 0.5000 0.0435 ( 1500 PWs) bands (ev): -31.4381 -31.4381 -12.5432 -12.5432 -11.2489 -11.2489 -10.9218 -10.9218 7.1016 7.1016 7.6248 7.6248 8.0319 8.0319 8.1375 8.1375 8.6568 8.6568 9.1602 9.1602 11.6292 11.6292 11.7315 11.7315 12.1207 12.1207 14.5897 14.5897 14.6222 14.6222 k = 0.5000 0.5000 0.0543 ( 1500 PWs) bands (ev): -31.4377 -31.4377 -12.5437 -12.5437 -11.2484 -11.2484 -10.9250 -10.9250 7.1136 7.1136 7.6312 7.6312 8.0318 8.0318 8.1374 8.1374 8.6570 8.6570 9.1614 9.1614 11.5923 11.5923 11.6911 11.6911 12.1449 12.1449 14.6311 14.6311 14.6676 14.6676 k = 0.5000 0.5000 0.0652 ( 1496 PWs) bands (ev): -31.4373 -31.4373 -12.5442 -12.5442 -11.2477 -11.2477 -10.9289 -10.9289 7.1284 7.1284 7.6390 7.6390 8.0318 8.0318 8.1372 8.1372 8.6572 8.6572 9.1629 9.1629 11.5489 11.5489 11.6437 11.6437 12.1746 12.1746 14.6801 14.6801 14.7212 14.7212 k = 0.5000 0.5000 0.0761 ( 1496 PWs) bands (ev): -31.4369 -31.4369 -12.5448 -12.5448 -11.2468 -11.2468 -10.9334 -10.9334 7.1456 7.1456 7.6479 7.6479 8.0319 8.0319 8.1371 8.1371 8.6575 8.6575 9.1646 9.1646 11.4996 11.4996 11.5900 11.5900 12.2097 12.2097 14.7360 14.7360 14.7822 14.7822 k = 0.5000 0.5000 0.0870 ( 1500 PWs) bands (ev): -31.4364 -31.4364 -12.5455 -12.5455 -11.2459 -11.2459 -10.9386 -10.9386 7.1653 7.1653 7.6581 7.6581 8.0320 8.0320 8.1370 8.1370 8.6578 8.6578 9.1664 9.1664 11.4453 11.4453 11.5311 11.5311 12.2502 12.2502 14.7979 14.7979 14.8495 14.8495 k = 0.5000 0.5000 0.0978 ( 1500 PWs) bands (ev): -31.4358 -31.4358 -12.5464 -12.5464 -11.2449 -11.2449 -10.9443 -10.9443 7.1877 7.1877 7.6693 7.6693 8.0321 8.0321 8.1368 8.1368 8.6582 8.6582 9.1687 9.1687 11.3867 11.3867 11.4677 11.4677 12.2963 12.2963 14.8652 14.8652 14.9224 14.9224 k = 0.5000 0.5000 0.1087 ( 1500 PWs) bands (ev): -31.4352 -31.4352 -12.5473 -12.5473 -11.2437 -11.2437 -10.9506 -10.9506 7.2126 7.2126 7.6815 7.6815 8.0322 8.0322 8.1367 8.1367 8.6586 8.6586 9.1712 9.1712 11.3245 11.3245 11.4006 11.4006 12.3479 12.3479 14.9371 14.9371 15.0001 15.0001 k = 0.5000 0.5000 0.1196 ( 1508 PWs) bands (ev): -31.4345 -31.4345 -12.5483 -12.5483 -11.2425 -11.2425 -10.9574 -10.9574 7.2399 7.2399 7.6944 7.6944 8.0323 8.0323 8.1365 8.1365 8.6590 8.6590 9.1740 9.1740 11.2593 11.2593 11.3306 11.3306 12.4051 12.4051 15.0130 15.0130 15.0819 15.0819 k = 0.5000 0.5000 0.1304 ( 1508 PWs) bands (ev): -31.4337 -31.4337 -12.5494 -12.5494 -11.2411 -11.2411 -10.9647 -10.9647 7.2697 7.2697 7.7082 7.7082 8.0326 8.0326 8.1364 8.1364 8.6594 8.6594 9.1771 9.1771 11.1918 11.1918 11.2583 11.2583 12.4678 12.4678 15.0923 15.0923 15.1671 15.1671 k = 0.5000 0.5000 0.1413 ( 1504 PWs) bands (ev): -31.4329 -31.4329 -12.5506 -12.5506 -11.2397 -11.2397 -10.9724 -10.9724 7.3018 7.3018 7.7227 7.7227 8.0332 8.0332 8.1365 8.1365 8.6599 8.6599 9.1805 9.1805 11.1226 11.1226 11.1843 11.1843 12.5362 12.5362 15.1744 15.1744 15.2551 15.2551 k = 0.5000 0.5000 0.1522 ( 1504 PWs) bands (ev): -31.4321 -31.4321 -12.5519 -12.5519 -11.2382 -11.2382 -10.9806 -10.9806 7.3362 7.3362 7.7377 7.7377 8.0338 8.0338 8.1367 8.1367 8.6605 8.6605 9.1842 9.1842 11.0520 11.0520 11.1091 11.1091 12.6102 12.6102 15.2588 15.2588 15.3454 15.3454 k = 0.5000 0.5000 0.1630 ( 1492 PWs) bands (ev): -31.4312 -31.4312 -12.5533 -12.5533 -11.2365 -11.2365 -10.9890 -10.9890 7.3730 7.3730 7.7531 7.7531 8.0347 8.0347 8.1370 8.1370 8.6611 8.6611 9.1883 9.1883 10.9805 10.9805 11.0331 11.0331 12.6898 12.6898 15.3452 15.3452 15.4376 15.4376 k = 0.5000 0.5000 0.1739 ( 1492 PWs) bands (ev): -31.4303 -31.4303 -12.5547 -12.5547 -11.2349 -11.2349 -10.9978 -10.9978 7.4117 7.4117 7.7688 7.7688 8.0357 8.0357 8.1374 8.1374 8.6617 8.6617 9.1926 9.1926 10.9086 10.9086 10.9568 10.9568 12.7751 12.7751 15.4330 15.4330 15.5312 15.5312 k = 0.5000 0.5000 0.1848 ( 1492 PWs) bands (ev): -31.4293 -31.4293 -12.5563 -12.5563 -11.2332 -11.2332 -11.0068 -11.0068 7.4524 7.4524 7.7846 7.7846 8.0370 8.0370 8.1378 8.1378 8.6623 8.6623 9.1972 9.1972 10.8366 10.8366 10.8806 10.8806 12.8659 12.8659 15.5220 15.5220 15.6258 15.6258 k = 0.5000 0.5000 0.1957 ( 1492 PWs) bands (ev): -31.4283 -31.4283 -12.5580 -12.5580 -11.2314 -11.2314 -11.0160 -11.0160 7.4950 7.4950 7.8006 7.8006 8.0386 8.0386 8.1385 8.1385 8.6629 8.6629 9.2022 9.2022 10.7648 10.7648 10.8046 10.8046 12.9624 12.9624 15.6118 15.6118 15.7210 15.7210 k = 0.5000 0.5000 0.2065 ( 1508 PWs) bands (ev): -31.4273 -31.4273 -12.5597 -12.5597 -11.2296 -11.2296 -11.0254 -11.0254 7.5393 7.5393 7.8164 7.8164 8.0404 8.0404 8.1391 8.1391 8.6634 8.6634 9.2074 9.2074 10.6934 10.6934 10.7293 10.7293 13.0644 13.0644 15.7020 15.7020 15.8158 15.8158 k = 0.5000 0.5000 0.2174 ( 1508 PWs) bands (ev): -31.4263 -31.4263 -12.5615 -12.5615 -11.2277 -11.2277 -11.0349 -11.0349 7.5850 7.5850 7.8322 7.8322 8.0429 8.0429 8.1401 8.1401 8.6641 8.6641 9.2132 9.2132 10.6228 10.6228 10.6549 10.6549 13.1719 13.1719 15.7925 15.7925 15.8363 15.8363 k = 0.5000 0.5000 0.2283 ( 1496 PWs) bands (ev): -31.4252 -31.4252 -12.5634 -12.5634 -11.2258 -11.2258 -11.0445 -11.0445 7.6319 7.6319 7.8480 7.8480 8.0463 8.0463 8.1415 8.1415 8.6649 8.6649 9.2193 9.2193 10.5533 10.5533 10.5817 10.5817 13.2850 13.2850 15.6580 15.6580 15.8829 15.8829 k = 0.5000 0.5000 0.2391 ( 1496 PWs) bands (ev): -31.4242 -31.4242 -12.5653 -12.5653 -11.2239 -11.2239 -11.0540 -11.0540 7.6798 7.6798 7.8633 7.8633 8.0504 8.0504 8.1429 8.1429 8.6656 8.6656 9.2259 9.2259 10.4849 10.4849 10.5097 10.5097 13.4034 13.4034 15.4786 15.4786 15.9730 15.9730 k = 0.5000 0.5000 0.2500 ( 1496 PWs) bands (ev): -31.4231 -31.4231 -12.5673 -12.5673 -11.2220 -11.2220 -11.0635 -11.0635 7.7280 7.7280 7.8782 7.8782 8.0556 8.0556 8.1445 8.1445 8.6663 8.6663 9.2330 9.2330 10.4179 10.4179 10.4393 10.4393 13.5272 13.5272 15.3013 15.3013 16.0625 16.0625 k = 0.5000 0.5000 0.2609 ( 1496 PWs) bands (ev): -31.4221 -31.4221 -12.5693 -12.5693 -11.2201 -11.2201 -11.0730 -11.0730 7.7759 7.7759 7.8927 7.8927 8.0626 8.0626 8.1463 8.1463 8.6671 8.6671 9.2406 9.2406 10.3524 10.3524 10.3706 10.3706 13.6562 13.6562 15.1266 15.1266 16.1513 16.1513 k = 0.5000 0.5000 0.2717 ( 1496 PWs) bands (ev): -31.4210 -31.4210 -12.5714 -12.5714 -11.2181 -11.2181 -11.0823 -11.0823 7.8224 7.8224 7.9066 7.9066 8.0720 8.0720 8.1484 8.1484 8.6678 8.6678 9.2489 9.2489 10.2887 10.2887 10.3038 10.3038 13.7903 13.7903 14.9548 14.9548 16.2390 16.2390 k = 0.5000 0.5000 0.2826 ( 1496 PWs) bands (ev): -31.4200 -31.4200 -12.5735 -12.5735 -11.2163 -11.2163 -11.0915 -11.0915 7.8662 7.8662 7.9200 7.9200 8.0853 8.0853 8.1507 8.1507 8.6686 8.6686 9.2579 9.2579 10.2269 10.2269 10.2389 10.2389 13.9294 13.9294 14.7862 14.7862 16.3255 16.3255 k = 0.5000 0.5000 0.2935 ( 1496 PWs) bands (ev): -31.4189 -31.4189 -12.5756 -12.5756 -11.2144 -11.2144 -11.1004 -11.1004 7.9051 7.9051 7.9328 7.9328 8.1040 8.1040 8.1532 8.1532 8.6693 8.6693 9.2676 9.2676 10.1671 10.1671 10.1763 10.1763 14.0733 14.0733 14.6210 14.6210 16.4105 16.4105 k = 0.5000 0.5000 0.3043 ( 1496 PWs) bands (ev): -31.4179 -31.4179 -12.5778 -12.5778 -11.2126 -11.2126 -11.1091 -11.1091 7.9373 7.9373 7.9449 7.9449 8.1298 8.1298 8.1560 8.1560 8.6701 8.6701 9.2781 9.2781 10.1094 10.1094 10.1159 10.1159 14.2219 14.2219 14.4595 14.4595 16.4937 16.4937 k = 0.5000 0.5000 0.3152 ( 1496 PWs) bands (ev): -31.4169 -31.4169 -12.5799 -12.5799 -11.2108 -11.2108 -11.1175 -11.1175 7.9564 7.9564 7.9620 7.9620 8.1589 8.1589 8.1631 8.1631 8.6708 8.6708 9.2895 9.2895 10.0541 10.0541 10.0580 10.0580 14.3020 14.3020 14.3749 14.3749 16.5750 16.5750 k = 0.5000 0.5000 0.3261 ( 1496 PWs) bands (ev): -31.4160 -31.4160 -12.5820 -12.5820 -11.2090 -11.2090 -11.1256 -11.1256 7.9671 7.9671 7.9801 7.9801 8.1621 8.1621 8.2028 8.2028 8.6716 8.6716 9.3019 9.3019 10.0012 10.0012 10.0026 10.0026 14.1489 14.1489 14.5322 14.5322 16.6540 16.6540 k = 0.5000 0.5000 0.3370 ( 1496 PWs) bands (ev): -31.4150 -31.4150 -12.5840 -12.5840 -11.2073 -11.2073 -11.1334 -11.1334 7.9772 7.9772 7.9932 7.9932 8.1654 8.1654 8.2467 8.2467 8.6723 8.6723 9.3155 9.3155 9.9499 9.9499 9.9507 9.9507 14.0005 14.0005 14.6935 14.6935 16.7305 16.7305 k = 0.5000 0.5000 0.3478 ( 1496 PWs) bands (ev): -31.4141 -31.4141 -12.5860 -12.5860 -11.2057 -11.2057 -11.1408 -11.1408 7.9866 7.9866 8.0030 8.0030 8.1688 8.1688 8.2927 8.2927 8.6730 8.6730 9.3302 9.3302 9.8999 9.8999 9.9030 9.9030 13.8573 13.8573 14.8586 14.8586 16.8041 16.8041 k = 0.5000 0.5000 0.3587 ( 1504 PWs) bands (ev): -31.4133 -31.4133 -12.5880 -12.5880 -11.2042 -11.2042 -11.1478 -11.1478 7.9952 7.9952 8.0106 8.0106 8.1721 8.1721 8.3390 8.3390 8.6736 8.6736 9.3461 9.3461 9.8528 9.8528 9.8579 9.8579 13.7195 13.7195 15.0272 15.0272 16.8747 16.8747 k = 0.5000 0.5000 0.3696 ( 1496 PWs) bands (ev): -31.4125 -31.4125 -12.5898 -12.5898 -11.2027 -11.2027 -11.1543 -11.1543 8.0032 8.0032 8.0169 8.0169 8.1757 8.1757 8.3847 8.3847 8.6744 8.6744 9.3632 9.3632 9.8087 9.8087 9.8157 9.8157 13.5879 13.5879 15.1990 15.1990 16.9419 16.9419 k = 0.5000 0.5000 0.3804 ( 1504 PWs) bands (ev): -31.4117 -31.4117 -12.5916 -12.5916 -11.2014 -11.2014 -11.1605 -11.1605 8.0105 8.0105 8.0221 8.0221 8.1791 8.1791 8.4285 8.4285 8.6751 8.6751 9.3815 9.3815 9.7677 9.7677 9.7764 9.7764 13.4627 13.4627 15.3736 15.3736 17.0053 17.0053 k = 0.5000 0.5000 0.3913 ( 1504 PWs) bands (ev): -31.4110 -31.4110 -12.5933 -12.5933 -11.2001 -11.2001 -11.1661 -11.1661 8.0170 8.0170 8.0267 8.0267 8.1825 8.1825 8.4701 8.4701 8.6756 8.6756 9.4008 9.4008 9.7299 9.7299 9.7402 9.7402 13.3448 13.3448 15.5507 15.5507 17.0647 17.0647 k = 0.5000 0.5000 0.4022 ( 1504 PWs) bands (ev): -31.4104 -31.4104 -12.5949 -12.5949 -11.1989 -11.1989 -11.1713 -11.1713 8.0230 8.0230 8.0307 8.0307 8.1857 8.1857 8.5088 8.5088 8.6762 8.6762 9.4210 9.4210 9.6954 9.6954 9.7071 9.7071 13.2346 13.2346 15.7297 15.7297 17.1197 17.1197 k = 0.5000 0.5000 0.4130 ( 1504 PWs) bands (ev): -31.4098 -31.4098 -12.5963 -12.5963 -11.1979 -11.1979 -11.1759 -11.1759 8.0283 8.0283 8.0343 8.0343 8.1888 8.1888 8.5440 8.5440 8.6767 8.6767 9.4415 9.4415 9.6643 9.6643 9.6772 9.6772 13.1330 13.1330 15.9103 15.9103 17.1699 17.1699 k = 0.5000 0.5000 0.4239 ( 1496 PWs) bands (ev): -31.4093 -31.4093 -12.5976 -12.5976 -11.1969 -11.1969 -11.1800 -11.1800 8.0330 8.0330 8.0375 8.0375 8.1917 8.1917 8.5755 8.5755 8.6773 8.6773 9.4620 9.4620 9.6367 9.6367 9.6506 9.6506 13.0406 13.0406 16.0919 16.0919 17.2150 17.2150 k = 0.5000 0.5000 0.4348 ( 1496 PWs) bands (ev): -31.4088 -31.4088 -12.5987 -12.5987 -11.1961 -11.1961 -11.1836 -11.1836 8.0370 8.0370 8.0402 8.0402 8.1943 8.1943 8.6029 8.6029 8.6777 8.6777 9.4818 9.4818 9.6128 9.6128 9.6274 9.6274 12.9583 12.9583 16.2737 16.2737 17.2546 17.2660 k = 0.5000 0.5000 0.4457 ( 1496 PWs) bands (ev): -31.4084 -31.4084 -12.5997 -12.5997 -11.1953 -11.1953 -11.1867 -11.1867 8.0404 8.0404 8.0425 8.0425 8.1965 8.1965 8.6261 8.6261 8.6781 8.6781 9.5000 9.5000 9.5927 9.5927 9.6077 9.6077 12.8868 12.8868 16.4550 16.4550 17.2680 17.2680 k = 0.5000 0.5000 0.4565 ( 1496 PWs) bands (ev): -31.4081 -31.4081 -12.6005 -12.6005 -11.1948 -11.1948 -11.1892 -11.1892 8.0432 8.0432 8.0444 8.0444 8.1984 8.1984 8.6451 8.6451 8.6784 8.6784 9.5156 9.5156 9.5769 9.5769 9.5914 9.5914 12.8269 12.8269 16.6346 16.6346 17.2697 17.2697 k = 0.5000 0.5000 0.4674 ( 1480 PWs) bands (ev): -31.4079 -31.4079 -12.6012 -12.6012 -11.1943 -11.1943 -11.1912 -11.1912 8.0454 8.0454 8.0462 8.0462 8.2001 8.2001 8.6599 8.6599 8.6787 8.6787 9.5272 9.5272 9.5661 9.5661 9.5787 9.5787 12.7795 12.7795 16.8110 16.8110 17.2711 17.2711 k = 0.5000 0.5000 0.4783 ( 1472 PWs) bands (ev): -31.4077 -31.4077 -12.6016 -12.6016 -11.1940 -11.1940 -11.1926 -11.1926 8.0470 8.0470 8.0473 8.0473 8.2013 8.2013 8.6707 8.6707 8.6789 8.6789 9.5328 9.5328 9.5615 9.5615 9.5696 9.5696 12.7451 12.7451 16.9810 16.9810 17.2720 17.2720 k = 0.5000 0.5000 0.4891 ( 1472 PWs) bands (ev): -31.4076 -31.4076 -12.6019 -12.6019 -11.1938 -11.1938 -11.1934 -11.1934 8.0479 8.0479 8.0480 8.0480 8.2020 8.2020 8.6769 8.6769 8.6790 8.6790 9.5335 9.5335 9.5616 9.5616 9.5641 9.5641 12.7242 12.7242 17.1378 17.1378 17.2726 17.2726 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): -31.4075 -31.4075 -12.6020 -12.6020 -11.1937 -11.1937 -11.1937 -11.1937 8.0482 8.0482 8.0482 8.0482 8.2022 8.2022 8.6790 8.6790 8.6790 8.6790 9.5331 9.5331 9.5623 9.5623 9.5623 9.5623 12.7172 12.7172 17.2728 17.2728 17.2728 17.2728 Writing output data file YCu.save init_run : 0.14s CPU 0.26s WALL ( 1 calls) electrons : 35.72s CPU 36.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 35.72s CPU 36.82s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 351 calls) cegterg : 31.51s CPU 32.13s WALL ( 388 calls) Called by sum_band: Called by *egterg: h_psi : 15.67s CPU 16.15s WALL ( 5053 calls) s_psi : 0.84s CPU 0.86s WALL ( 5053 calls) g_psi : 0.06s CPU 0.04s WALL ( 4314 calls) cdiaghg : 15.37s CPU 15.66s WALL ( 4665 calls) cegterg:over : 1.09s CPU 1.07s WALL ( 4314 calls) cegterg:upda : 0.74s CPU 0.74s WALL ( 4314 calls) cegterg:last : 0.48s CPU 0.45s WALL ( 1024 calls) cdiaghg:chol : 0.77s CPU 0.79s WALL ( 4665 calls) cdiaghg:inve : 0.33s CPU 0.38s WALL ( 4665 calls) cdiaghg:para : 0.94s CPU 0.92s WALL ( 9330 calls) Called by h_psi: h_psi:vloc : 13.80s CPU 14.21s WALL ( 5053 calls) h_psi:vnl : 1.84s CPU 1.92s WALL ( 5053 calls) add_vuspsi : 1.12s CPU 1.13s WALL ( 5053 calls) General routines calbec : 0.71s CPU 0.78s WALL ( 5053 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 13.00s CPU 13.49s WALL ( 381960 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.14s WALL ( 702 calls) Parallel routines fft_scatter : 6.72s CPU 7.19s WALL ( 381983 calls) PWSCF : 43.40s CPU 53.17s WALL This run was terminated on: 17:53:28 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=