Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:43 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: ./ZnNi.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 18 12 4 358 180 34 Max 19 13 5 363 195 38 Sum 665 437 145 12965 6763 1309 bravais-lattice index = 14 lattice parameter (alat) = 5.4959 a.u. unit-cell volume = 166.0023 (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 = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.495890 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Ni 10.00 58.69340 Ni( 1.00) Zn 12.00 65.40900 Zn( 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= 419 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023866 k( 2) = ( 0.0000000 0.0090909 -0.0000000), wk = 0.0023866 k( 3) = ( 0.0000000 0.0181818 -0.0000000), wk = 0.0023866 k( 4) = ( 0.0000000 0.0272727 -0.0000000), wk = 0.0023866 k( 5) = ( 0.0000000 0.0363636 -0.0000000), wk = 0.0023866 k( 6) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0023866 k( 7) = ( 0.0000000 0.0545455 -0.0000000), wk = 0.0023866 k( 8) = ( 0.0000000 0.0636364 -0.0000000), wk = 0.0023866 k( 9) = ( 0.0000000 0.0727273 -0.0000000), wk = 0.0023866 k( 10) = ( 0.0000000 0.0818182 -0.0000000), wk = 0.0023866 k( 11) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0023866 k( 12) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0023866 k( 13) = ( 0.0000000 0.1090909 -0.0000000), wk = 0.0023866 k( 14) = ( 0.0000000 0.1181818 -0.0000000), wk = 0.0023866 k( 15) = ( 0.0000000 0.1272727 -0.0000000), wk = 0.0023866 k( 16) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0023866 k( 17) = ( 0.0000000 0.1454545 -0.0000000), wk = 0.0023866 k( 18) = ( 0.0000000 0.1545455 -0.0000000), wk = 0.0023866 k( 19) = ( 0.0000000 0.1636364 -0.0000000), wk = 0.0023866 k( 20) = ( 0.0000000 0.1727273 -0.0000000), wk = 0.0023866 k( 21) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0023866 k( 22) = ( 0.0000000 0.1909091 -0.0000000), wk = 0.0023866 k( 23) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0023866 k( 24) = ( 0.0000000 0.2090909 -0.0000000), wk = 0.0023866 k( 25) = ( 0.0000000 0.2181818 -0.0000000), wk = 0.0023866 k( 26) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0023866 k( 27) = ( 0.0000000 0.2363636 -0.0000000), wk = 0.0023866 k( 28) = ( 0.0000000 0.2454545 -0.0000000), wk = 0.0023866 k( 29) = ( 0.0000000 0.2545455 -0.0000000), wk = 0.0023866 k( 30) = ( 0.0000000 0.2636364 -0.0000000), wk = 0.0023866 k( 31) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0023866 k( 32) = ( 0.0000000 0.2818182 -0.0000000), wk = 0.0023866 k( 33) = ( 0.0000000 0.2909091 -0.0000000), wk = 0.0023866 k( 34) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0023866 k( 35) = ( 0.0000000 0.3090909 -0.0000000), wk = 0.0023866 k( 36) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0023866 k( 37) = ( 0.0000000 0.3272727 -0.0000000), wk = 0.0023866 k( 38) = ( 0.0000000 0.3363636 -0.0000000), wk = 0.0023866 k( 39) = ( 0.0000000 0.3454546 -0.0000000), wk = 0.0023866 k( 40) = ( 0.0000000 0.3545454 -0.0000000), wk = 0.0023866 k( 41) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0023866 k( 42) = ( 0.0000000 0.3727273 -0.0000000), wk = 0.0023866 k( 43) = ( 0.0000000 0.3818182 -0.0000000), wk = 0.0023866 k( 44) = ( 0.0000000 0.3909091 -0.0000000), wk = 0.0023866 k( 45) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0023866 k( 46) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0023866 k( 47) = ( 0.0000000 0.4181818 -0.0000000), wk = 0.0023866 k( 48) = ( 0.0000000 0.4272727 -0.0000000), wk = 0.0023866 k( 49) = ( 0.0000000 0.4363636 -0.0000000), wk = 0.0023866 k( 50) = ( 0.0000000 0.4454546 -0.0000000), wk = 0.0023866 k( 51) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0023866 k( 52) = ( 0.0000000 0.4636364 -0.0000000), wk = 0.0023866 k( 53) = ( 0.0000000 0.4727273 -0.0000000), wk = 0.0023866 k( 54) = ( 0.0000000 0.4818182 -0.0000000), wk = 0.0023866 k( 55) = ( 0.0000000 0.4909091 -0.0000000), wk = 0.0023866 k( 56) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023866 k( 57) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023866 k( 58) = ( 0.0090909 0.5000000 -0.0000000), wk = 0.0023866 k( 59) = ( 0.0181818 0.5000000 -0.0000000), wk = 0.0023866 k( 60) = ( 0.0272727 0.5000000 -0.0000000), wk = 0.0023866 k( 61) = ( 0.0363636 0.5000000 -0.0000000), wk = 0.0023866 k( 62) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0023866 k( 63) = ( 0.0545455 0.5000000 -0.0000000), wk = 0.0023866 k( 64) = ( 0.0636364 0.5000000 -0.0000000), wk = 0.0023866 k( 65) = ( 0.0727273 0.5000000 -0.0000000), wk = 0.0023866 k( 66) = ( 0.0818182 0.5000000 -0.0000000), wk = 0.0023866 k( 67) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0023866 k( 68) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0023866 k( 69) = ( 0.1090909 0.5000000 -0.0000000), wk = 0.0023866 k( 70) = ( 0.1181818 0.5000000 -0.0000000), wk = 0.0023866 k( 71) = ( 0.1272727 0.5000000 -0.0000000), wk = 0.0023866 k( 72) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0023866 k( 73) = ( 0.1454545 0.5000000 -0.0000000), wk = 0.0023866 k( 74) = ( 0.1545455 0.5000000 -0.0000000), wk = 0.0023866 k( 75) = ( 0.1636364 0.5000000 -0.0000000), wk = 0.0023866 k( 76) = ( 0.1727273 0.5000000 -0.0000000), wk = 0.0023866 k( 77) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0023866 k( 78) = ( 0.1909091 0.5000000 -0.0000000), wk = 0.0023866 k( 79) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0023866 k( 80) = ( 0.2090909 0.5000000 -0.0000000), wk = 0.0023866 k( 81) = ( 0.2181818 0.5000000 -0.0000000), wk = 0.0023866 k( 82) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0023866 k( 83) = ( 0.2363636 0.5000000 -0.0000000), wk = 0.0023866 k( 84) = ( 0.2454545 0.5000000 -0.0000000), wk = 0.0023866 k( 85) = ( 0.2545455 0.5000000 -0.0000000), wk = 0.0023866 k( 86) = ( 0.2636364 0.5000000 -0.0000000), wk = 0.0023866 k( 87) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0023866 k( 88) = ( 0.2818182 0.5000000 -0.0000000), wk = 0.0023866 k( 89) = ( 0.2909091 0.5000000 -0.0000000), wk = 0.0023866 k( 90) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0023866 k( 91) = ( 0.3090909 0.5000000 -0.0000000), wk = 0.0023866 k( 92) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0023866 k( 93) = ( 0.3272727 0.5000000 -0.0000000), wk = 0.0023866 k( 94) = ( 0.3363636 0.5000000 -0.0000000), wk = 0.0023866 k( 95) = ( 0.3454546 0.5000000 -0.0000000), wk = 0.0023866 k( 96) = ( 0.3545454 0.5000000 -0.0000000), wk = 0.0023866 k( 97) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0023866 k( 98) = ( 0.3727273 0.5000000 -0.0000000), wk = 0.0023866 k( 99) = ( 0.3818182 0.5000000 -0.0000000), wk = 0.0023866 k( 100) = ( 0.3909091 0.5000000 -0.0000000), wk = 0.0023866 k( 101) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0023866 k( 102) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0023866 k( 103) = ( 0.4181818 0.5000000 -0.0000000), wk = 0.0023866 k( 104) = ( 0.4272727 0.5000000 -0.0000000), wk = 0.0023866 k( 105) = ( 0.4363636 0.5000000 -0.0000000), wk = 0.0023866 k( 106) = ( 0.4454546 0.5000000 -0.0000000), wk = 0.0023866 k( 107) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0023866 k( 108) = ( 0.4636364 0.5000000 -0.0000000), wk = 0.0023866 k( 109) = ( 0.4727273 0.5000000 -0.0000000), wk = 0.0023866 k( 110) = ( 0.4818182 0.5000000 -0.0000000), wk = 0.0023866 k( 111) = ( 0.4909091 0.5000000 -0.0000000), wk = 0.0023866 k( 112) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023866 k( 113) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023866 k( 114) = ( 0.4935065 0.4935065 -0.0000000), wk = 0.0023866 k( 115) = ( 0.4870130 0.4870130 -0.0000000), wk = 0.0023866 k( 116) = ( 0.4805195 0.4805195 -0.0000000), wk = 0.0023866 k( 117) = ( 0.4740260 0.4740260 -0.0000000), wk = 0.0023866 k( 118) = ( 0.4675325 0.4675325 -0.0000000), wk = 0.0023866 k( 119) = ( 0.4610390 0.4610390 -0.0000000), wk = 0.0023866 k( 120) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0023866 k( 121) = ( 0.4480519 0.4480519 -0.0000000), wk = 0.0023866 k( 122) = ( 0.4415584 0.4415584 -0.0000000), wk = 0.0023866 k( 123) = ( 0.4350649 0.4350649 -0.0000000), wk = 0.0023866 k( 124) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0023866 k( 125) = ( 0.4220779 0.4220779 -0.0000000), wk = 0.0023866 k( 126) = ( 0.4155844 0.4155844 -0.0000000), wk = 0.0023866 k( 127) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0023866 k( 128) = ( 0.4025974 0.4025974 -0.0000000), wk = 0.0023866 k( 129) = ( 0.3961039 0.3961039 -0.0000000), wk = 0.0023866 k( 130) = ( 0.3896104 0.3896104 -0.0000000), wk = 0.0023866 k( 131) = ( 0.3831169 0.3831169 -0.0000000), wk = 0.0023866 k( 132) = ( 0.3766234 0.3766234 -0.0000000), wk = 0.0023866 k( 133) = ( 0.3701299 0.3701299 -0.0000000), wk = 0.0023866 k( 134) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0023866 k( 135) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0023866 k( 136) = ( 0.3506494 0.3506493 -0.0000000), wk = 0.0023866 k( 137) = ( 0.3441558 0.3441558 -0.0000000), wk = 0.0023866 k( 138) = ( 0.3376623 0.3376623 -0.0000000), wk = 0.0023866 k( 139) = ( 0.3311688 0.3311688 -0.0000000), wk = 0.0023866 k( 140) = ( 0.3246753 0.3246753 -0.0000000), wk = 0.0023866 k( 141) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0023866 k( 142) = ( 0.3116883 0.3116883 -0.0000000), wk = 0.0023866 k( 143) = ( 0.3051948 0.3051948 -0.0000000), wk = 0.0023866 k( 144) = ( 0.2987013 0.2987013 -0.0000000), wk = 0.0023866 k( 145) = ( 0.2922078 0.2922078 -0.0000000), wk = 0.0023866 k( 146) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0023866 k( 147) = ( 0.2792208 0.2792208 -0.0000000), wk = 0.0023866 k( 148) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0023866 k( 149) = ( 0.2662338 0.2662338 -0.0000000), wk = 0.0023866 k( 150) = ( 0.2597403 0.2597403 -0.0000000), wk = 0.0023866 k( 151) = ( 0.2532468 0.2532468 -0.0000000), wk = 0.0023866 k( 152) = ( 0.2467533 0.2467532 -0.0000000), wk = 0.0023866 k( 153) = ( 0.2402597 0.2402597 -0.0000000), wk = 0.0023866 k( 154) = ( 0.2337662 0.2337662 -0.0000000), wk = 0.0023866 k( 155) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0023866 k( 156) = ( 0.2207792 0.2207792 -0.0000000), wk = 0.0023866 k( 157) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0023866 k( 158) = ( 0.2077922 0.2077922 -0.0000000), wk = 0.0023866 k( 159) = ( 0.2012987 0.2012987 -0.0000000), wk = 0.0023866 k( 160) = ( 0.1948052 0.1948052 -0.0000000), wk = 0.0023866 k( 161) = ( 0.1883117 0.1883117 -0.0000000), wk = 0.0023866 k( 162) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0023866 k( 163) = ( 0.1753247 0.1753247 -0.0000000), wk = 0.0023866 k( 164) = ( 0.1688312 0.1688312 -0.0000000), wk = 0.0023866 k( 165) = ( 0.1623377 0.1623377 -0.0000000), wk = 0.0023866 k( 166) = ( 0.1558442 0.1558442 -0.0000000), wk = 0.0023866 k( 167) = ( 0.1493507 0.1493506 -0.0000000), wk = 0.0023866 k( 168) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0023866 k( 169) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0023866 k( 170) = ( 0.1298701 0.1298701 -0.0000000), wk = 0.0023866 k( 171) = ( 0.1233766 0.1233766 -0.0000000), wk = 0.0023866 k( 172) = ( 0.1168831 0.1168831 -0.0000000), wk = 0.0023866 k( 173) = ( 0.1103896 0.1103896 -0.0000000), wk = 0.0023866 k( 174) = ( 0.1038961 0.1038961 -0.0000000), wk = 0.0023866 k( 175) = ( 0.0974026 0.0974026 -0.0000000), wk = 0.0023866 k( 176) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0023866 k( 177) = ( 0.0844156 0.0844156 -0.0000000), wk = 0.0023866 k( 178) = ( 0.0779221 0.0779221 -0.0000000), wk = 0.0023866 k( 179) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0023866 k( 180) = ( 0.0649351 0.0649351 -0.0000000), wk = 0.0023866 k( 181) = ( 0.0584416 0.0584416 -0.0000000), wk = 0.0023866 k( 182) = ( 0.0519481 0.0519480 -0.0000000), wk = 0.0023866 k( 183) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0023866 k( 184) = ( 0.0389610 0.0389610 -0.0000000), wk = 0.0023866 k( 185) = ( 0.0324675 0.0324675 -0.0000000), wk = 0.0023866 k( 186) = ( 0.0259740 0.0259740 -0.0000000), wk = 0.0023866 k( 187) = ( 0.0194805 0.0194805 -0.0000000), wk = 0.0023866 k( 188) = ( 0.0129870 0.0129870 -0.0000000), wk = 0.0023866 k( 189) = ( 0.0064935 0.0064935 -0.0000000), wk = 0.0023866 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023866 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023866 k( 192) = ( 0.0053191 0.0053191 0.0053191), wk = 0.0023866 k( 193) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0023866 k( 194) = ( 0.0159575 0.0159575 0.0159574), wk = 0.0023866 k( 195) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0023866 k( 196) = ( 0.0265957 0.0265957 0.0265957), wk = 0.0023866 k( 197) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0023866 k( 198) = ( 0.0372340 0.0372340 0.0372340), wk = 0.0023866 k( 199) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0023866 k( 200) = ( 0.0478723 0.0478723 0.0478723), wk = 0.0023866 k( 201) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0023866 k( 202) = ( 0.0585106 0.0585106 0.0585106), wk = 0.0023866 k( 203) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0023866 k( 204) = ( 0.0691489 0.0691489 0.0691489), wk = 0.0023866 k( 205) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0023866 k( 206) = ( 0.0797872 0.0797872 0.0797872), wk = 0.0023866 k( 207) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0023866 k( 208) = ( 0.0904255 0.0904255 0.0904255), wk = 0.0023866 k( 209) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0023866 k( 210) = ( 0.1010638 0.1010638 0.1010638), wk = 0.0023866 k( 211) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0023866 k( 212) = ( 0.1117021 0.1117021 0.1117021), wk = 0.0023866 k( 213) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0023866 k( 214) = ( 0.1223404 0.1223404 0.1223404), wk = 0.0023866 k( 215) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0023866 k( 216) = ( 0.1329787 0.1329787 0.1329787), wk = 0.0023866 k( 217) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0023866 k( 218) = ( 0.1436170 0.1436170 0.1436170), wk = 0.0023866 k( 219) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0023866 k( 220) = ( 0.1542553 0.1542553 0.1542553), wk = 0.0023866 k( 221) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0023866 k( 222) = ( 0.1648936 0.1648936 0.1648936), wk = 0.0023866 k( 223) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0023866 k( 224) = ( 0.1755319 0.1755319 0.1755319), wk = 0.0023866 k( 225) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0023866 k( 226) = ( 0.1861702 0.1861702 0.1861702), wk = 0.0023866 k( 227) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0023866 k( 228) = ( 0.1968085 0.1968085 0.1968085), wk = 0.0023866 k( 229) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0023866 k( 230) = ( 0.2074468 0.2074468 0.2074468), wk = 0.0023866 k( 231) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0023866 k( 232) = ( 0.2180851 0.2180851 0.2180851), wk = 0.0023866 k( 233) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0023866 k( 234) = ( 0.2287234 0.2287234 0.2287234), wk = 0.0023866 k( 235) = ( 0.2340425 0.2340425 0.2340425), wk = 0.0023866 k( 236) = ( 0.2393617 0.2393617 0.2393617), wk = 0.0023866 k( 237) = ( 0.2446809 0.2446808 0.2446808), wk = 0.0023866 k( 238) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023866 k( 239) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0023866 k( 240) = ( 0.2606383 0.2606383 0.2606383), wk = 0.0023866 k( 241) = ( 0.2659574 0.2659574 0.2659574), wk = 0.0023866 k( 242) = ( 0.2712766 0.2712766 0.2712766), wk = 0.0023866 k( 243) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0023866 k( 244) = ( 0.2819149 0.2819149 0.2819149), wk = 0.0023866 k( 245) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0023866 k( 246) = ( 0.2925532 0.2925532 0.2925532), wk = 0.0023866 k( 247) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0023866 k( 248) = ( 0.3031915 0.3031915 0.3031915), wk = 0.0023866 k( 249) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0023866 k( 250) = ( 0.3138298 0.3138298 0.3138298), wk = 0.0023866 k( 251) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0023866 k( 252) = ( 0.3244681 0.3244681 0.3244681), wk = 0.0023866 k( 253) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0023866 k( 254) = ( 0.3351064 0.3351064 0.3351064), wk = 0.0023866 k( 255) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0023866 k( 256) = ( 0.3457447 0.3457447 0.3457447), wk = 0.0023866 k( 257) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0023866 k( 258) = ( 0.3563830 0.3563830 0.3563830), wk = 0.0023866 k( 259) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0023866 k( 260) = ( 0.3670213 0.3670213 0.3670213), wk = 0.0023866 k( 261) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0023866 k( 262) = ( 0.3776596 0.3776596 0.3776596), wk = 0.0023866 k( 263) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0023866 k( 264) = ( 0.3882979 0.3882979 0.3882979), wk = 0.0023866 k( 265) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0023866 k( 266) = ( 0.3989362 0.3989362 0.3989362), wk = 0.0023866 k( 267) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0023866 k( 268) = ( 0.4095745 0.4095745 0.4095745), wk = 0.0023866 k( 269) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0023866 k( 270) = ( 0.4202128 0.4202128 0.4202128), wk = 0.0023866 k( 271) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0023866 k( 272) = ( 0.4308511 0.4308511 0.4308511), wk = 0.0023866 k( 273) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0023866 k( 274) = ( 0.4414894 0.4414894 0.4414894), wk = 0.0023866 k( 275) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0023866 k( 276) = ( 0.4521277 0.4521277 0.4521277), wk = 0.0023866 k( 277) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0023866 k( 278) = ( 0.4627660 0.4627660 0.4627660), wk = 0.0023866 k( 279) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0023866 k( 280) = ( 0.4734043 0.4734043 0.4734043), wk = 0.0023866 k( 281) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0023866 k( 282) = ( 0.4840426 0.4840425 0.4840425), wk = 0.0023866 k( 283) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0023866 k( 284) = ( 0.4946809 0.4946808 0.4946808), wk = 0.0023866 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023866 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023866 k( 287) = ( 0.4935065 0.5000000 0.4935065), wk = 0.0023866 k( 288) = ( 0.4870130 0.5000000 0.4870130), wk = 0.0023866 k( 289) = ( 0.4805195 0.5000000 0.4805195), wk = 0.0023866 k( 290) = ( 0.4740260 0.5000000 0.4740260), wk = 0.0023866 k( 291) = ( 0.4675325 0.5000000 0.4675325), wk = 0.0023866 k( 292) = ( 0.4610390 0.5000000 0.4610390), wk = 0.0023866 k( 293) = ( 0.4545455 0.5000000 0.4545454), wk = 0.0023866 k( 294) = ( 0.4480519 0.5000000 0.4480519), wk = 0.0023866 k( 295) = ( 0.4415584 0.5000000 0.4415584), wk = 0.0023866 k( 296) = ( 0.4350649 0.5000000 0.4350649), wk = 0.0023866 k( 297) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0023866 k( 298) = ( 0.4220779 0.5000000 0.4220779), wk = 0.0023866 k( 299) = ( 0.4155844 0.5000000 0.4155844), wk = 0.0023866 k( 300) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0023866 k( 301) = ( 0.4025974 0.5000000 0.4025974), wk = 0.0023866 k( 302) = ( 0.3961039 0.5000000 0.3961039), wk = 0.0023866 k( 303) = ( 0.3896104 0.5000000 0.3896104), wk = 0.0023866 k( 304) = ( 0.3831169 0.5000000 0.3831169), wk = 0.0023866 k( 305) = ( 0.3766234 0.5000000 0.3766234), wk = 0.0023866 k( 306) = ( 0.3701299 0.5000000 0.3701299), wk = 0.0023866 k( 307) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0023866 k( 308) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0023866 k( 309) = ( 0.3506494 0.5000000 0.3506493), wk = 0.0023866 k( 310) = ( 0.3441558 0.5000000 0.3441558), wk = 0.0023866 k( 311) = ( 0.3376623 0.5000000 0.3376623), wk = 0.0023866 k( 312) = ( 0.3311688 0.5000000 0.3311688), wk = 0.0023866 k( 313) = ( 0.3246753 0.5000000 0.3246753), wk = 0.0023866 k( 314) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0023866 k( 315) = ( 0.3116883 0.5000000 0.3116883), wk = 0.0023866 k( 316) = ( 0.3051948 0.5000000 0.3051948), wk = 0.0023866 k( 317) = ( 0.2987013 0.5000000 0.2987013), wk = 0.0023866 k( 318) = ( 0.2922078 0.5000000 0.2922078), wk = 0.0023866 k( 319) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0023866 k( 320) = ( 0.2792208 0.5000000 0.2792208), wk = 0.0023866 k( 321) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0023866 k( 322) = ( 0.2662338 0.5000000 0.2662338), wk = 0.0023866 k( 323) = ( 0.2597403 0.5000000 0.2597403), wk = 0.0023866 k( 324) = ( 0.2532468 0.5000000 0.2532467), wk = 0.0023866 k( 325) = ( 0.2467533 0.5000000 0.2467532), wk = 0.0023866 k( 326) = ( 0.2402597 0.5000000 0.2402597), wk = 0.0023866 k( 327) = ( 0.2337662 0.5000000 0.2337662), wk = 0.0023866 k( 328) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0023866 k( 329) = ( 0.2207792 0.5000000 0.2207792), wk = 0.0023866 k( 330) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0023866 k( 331) = ( 0.2077922 0.5000000 0.2077922), wk = 0.0023866 k( 332) = ( 0.2012987 0.5000000 0.2012987), wk = 0.0023866 k( 333) = ( 0.1948052 0.5000000 0.1948052), wk = 0.0023866 k( 334) = ( 0.1883117 0.5000000 0.1883117), wk = 0.0023866 k( 335) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0023866 k( 336) = ( 0.1753247 0.5000000 0.1753247), wk = 0.0023866 k( 337) = ( 0.1688312 0.5000000 0.1688312), wk = 0.0023866 k( 338) = ( 0.1623377 0.5000000 0.1623377), wk = 0.0023866 k( 339) = ( 0.1558442 0.5000000 0.1558442), wk = 0.0023866 k( 340) = ( 0.1493507 0.5000000 0.1493506), wk = 0.0023866 k( 341) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0023866 k( 342) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0023866 k( 343) = ( 0.1298701 0.5000000 0.1298701), wk = 0.0023866 k( 344) = ( 0.1233766 0.5000000 0.1233766), wk = 0.0023866 k( 345) = ( 0.1168831 0.5000000 0.1168831), wk = 0.0023866 k( 346) = ( 0.1103896 0.5000000 0.1103896), wk = 0.0023866 k( 347) = ( 0.1038961 0.5000000 0.1038961), wk = 0.0023866 k( 348) = ( 0.0974026 0.5000000 0.0974026), wk = 0.0023866 k( 349) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0023866 k( 350) = ( 0.0844156 0.5000000 0.0844156), wk = 0.0023866 k( 351) = ( 0.0779221 0.5000000 0.0779221), wk = 0.0023866 k( 352) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0023866 k( 353) = ( 0.0649351 0.5000000 0.0649351), wk = 0.0023866 k( 354) = ( 0.0584416 0.5000000 0.0584416), wk = 0.0023866 k( 355) = ( 0.0519481 0.5000000 0.0519480), wk = 0.0023866 k( 356) = ( 0.0454546 0.5000000 0.0454545), wk = 0.0023866 k( 357) = ( 0.0389610 0.5000000 0.0389610), wk = 0.0023866 k( 358) = ( 0.0324675 0.5000000 0.0324675), wk = 0.0023866 k( 359) = ( 0.0259740 0.5000000 0.0259740), wk = 0.0023866 k( 360) = ( 0.0194805 0.5000000 0.0194805), wk = 0.0023866 k( 361) = ( 0.0129870 0.5000000 0.0129870), wk = 0.0023866 k( 362) = ( 0.0064935 0.5000000 0.0064935), wk = 0.0023866 k( 363) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023866 k( 364) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023866 k( 365) = ( 0.5000000 0.5000000 0.0090909), wk = 0.0023866 k( 366) = ( 0.5000000 0.5000000 0.0181818), wk = 0.0023866 k( 367) = ( 0.5000000 0.5000000 0.0272727), wk = 0.0023866 k( 368) = ( 0.5000000 0.5000000 0.0363636), wk = 0.0023866 k( 369) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0023866 k( 370) = ( 0.5000000 0.5000000 0.0545454), wk = 0.0023866 k( 371) = ( 0.5000000 0.5000000 0.0636364), wk = 0.0023866 k( 372) = ( 0.5000000 0.5000000 0.0727273), wk = 0.0023866 k( 373) = ( 0.5000000 0.5000000 0.0818182), wk = 0.0023866 k( 374) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0023866 k( 375) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0023866 k( 376) = ( 0.5000000 0.5000000 0.1090909), wk = 0.0023866 k( 377) = ( 0.5000000 0.5000000 0.1181818), wk = 0.0023866 k( 378) = ( 0.5000000 0.5000000 0.1272727), wk = 0.0023866 k( 379) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0023866 k( 380) = ( 0.5000000 0.5000000 0.1454545), wk = 0.0023866 k( 381) = ( 0.5000000 0.5000000 0.1545454), wk = 0.0023866 k( 382) = ( 0.5000000 0.5000000 0.1636364), wk = 0.0023866 k( 383) = ( 0.5000000 0.5000000 0.1727273), wk = 0.0023866 k( 384) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0023866 k( 385) = ( 0.5000000 0.5000000 0.1909091), wk = 0.0023866 k( 386) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0023866 k( 387) = ( 0.5000000 0.5000000 0.2090909), wk = 0.0023866 k( 388) = ( 0.5000000 0.5000000 0.2181818), wk = 0.0023866 k( 389) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0023866 k( 390) = ( 0.5000000 0.5000000 0.2363636), wk = 0.0023866 k( 391) = ( 0.5000000 0.5000000 0.2454545), wk = 0.0023866 k( 392) = ( 0.5000000 0.5000000 0.2545454), wk = 0.0023866 k( 393) = ( 0.5000000 0.5000000 0.2636364), wk = 0.0023866 k( 394) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0023866 k( 395) = ( 0.5000000 0.5000000 0.2818182), wk = 0.0023866 k( 396) = ( 0.5000000 0.5000000 0.2909091), wk = 0.0023866 k( 397) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0023866 k( 398) = ( 0.5000000 0.5000000 0.3090909), wk = 0.0023866 k( 399) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0023866 k( 400) = ( 0.5000000 0.5000000 0.3272727), wk = 0.0023866 k( 401) = ( 0.5000000 0.5000000 0.3363636), wk = 0.0023866 k( 402) = ( 0.5000000 0.5000000 0.3454545), wk = 0.0023866 k( 403) = ( 0.5000000 0.5000000 0.3545454), wk = 0.0023866 k( 404) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0023866 k( 405) = ( 0.5000000 0.5000000 0.3727273), wk = 0.0023866 k( 406) = ( 0.5000000 0.5000000 0.3818182), wk = 0.0023866 k( 407) = ( 0.5000000 0.5000000 0.3909091), wk = 0.0023866 k( 408) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0023866 k( 409) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0023866 k( 410) = ( 0.5000000 0.5000000 0.4181818), wk = 0.0023866 k( 411) = ( 0.5000000 0.5000000 0.4272727), wk = 0.0023866 k( 412) = ( 0.5000000 0.5000000 0.4363636), wk = 0.0023866 k( 413) = ( 0.5000000 0.5000000 0.4454545), wk = 0.0023866 k( 414) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0023866 k( 415) = ( 0.5000000 0.5000000 0.4636364), wk = 0.0023866 k( 416) = ( 0.5000000 0.5000000 0.4727273), wk = 0.0023866 k( 417) = ( 0.5000000 0.5000000 0.4818182), wk = 0.0023866 k( 418) = ( 0.5000000 0.5000000 0.4909091), wk = 0.0023866 k( 419) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023866 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023866 k( 2) = ( 0.0000000 0.0090909 0.0000000), wk = 0.0023866 k( 3) = ( 0.0000000 0.0181818 0.0000000), wk = 0.0023866 k( 4) = ( 0.0000000 0.0272727 0.0000000), wk = 0.0023866 k( 5) = ( 0.0000000 0.0363636 0.0000000), wk = 0.0023866 k( 6) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0023866 k( 7) = ( 0.0000000 0.0545455 0.0000000), wk = 0.0023866 k( 8) = ( 0.0000000 0.0636364 0.0000000), wk = 0.0023866 k( 9) = ( 0.0000000 0.0727273 0.0000000), wk = 0.0023866 k( 10) = ( 0.0000000 0.0818182 0.0000000), wk = 0.0023866 k( 11) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0023866 k( 12) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0023866 k( 13) = ( 0.0000000 0.1090909 0.0000000), wk = 0.0023866 k( 14) = ( 0.0000000 0.1181818 0.0000000), wk = 0.0023866 k( 15) = ( 0.0000000 0.1272727 0.0000000), wk = 0.0023866 k( 16) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0023866 k( 17) = ( 0.0000000 0.1454545 0.0000000), wk = 0.0023866 k( 18) = ( 0.0000000 0.1545455 0.0000000), wk = 0.0023866 k( 19) = ( 0.0000000 0.1636364 0.0000000), wk = 0.0023866 k( 20) = ( 0.0000000 0.1727273 0.0000000), wk = 0.0023866 k( 21) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0023866 k( 22) = ( 0.0000000 0.1909091 0.0000000), wk = 0.0023866 k( 23) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0023866 k( 24) = ( 0.0000000 0.2090909 0.0000000), wk = 0.0023866 k( 25) = ( 0.0000000 0.2181818 0.0000000), wk = 0.0023866 k( 26) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0023866 k( 27) = ( 0.0000000 0.2363636 0.0000000), wk = 0.0023866 k( 28) = ( 0.0000000 0.2454545 0.0000000), wk = 0.0023866 k( 29) = ( 0.0000000 0.2545455 0.0000000), wk = 0.0023866 k( 30) = ( 0.0000000 0.2636364 0.0000000), wk = 0.0023866 k( 31) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0023866 k( 32) = ( 0.0000000 0.2818182 0.0000000), wk = 0.0023866 k( 33) = ( 0.0000000 0.2909091 0.0000000), wk = 0.0023866 k( 34) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0023866 k( 35) = ( 0.0000000 0.3090909 0.0000000), wk = 0.0023866 k( 36) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0023866 k( 37) = ( 0.0000000 0.3272727 0.0000000), wk = 0.0023866 k( 38) = ( 0.0000000 0.3363636 0.0000000), wk = 0.0023866 k( 39) = ( 0.0000000 0.3454546 0.0000000), wk = 0.0023866 k( 40) = ( 0.0000000 0.3545454 0.0000000), wk = 0.0023866 k( 41) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0023866 k( 42) = ( 0.0000000 0.3727273 0.0000000), wk = 0.0023866 k( 43) = ( 0.0000000 0.3818182 0.0000000), wk = 0.0023866 k( 44) = ( 0.0000000 0.3909091 0.0000000), wk = 0.0023866 k( 45) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0023866 k( 46) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0023866 k( 47) = ( 0.0000000 0.4181818 0.0000000), wk = 0.0023866 k( 48) = ( 0.0000000 0.4272727 0.0000000), wk = 0.0023866 k( 49) = ( 0.0000000 0.4363636 0.0000000), wk = 0.0023866 k( 50) = ( 0.0000000 0.4454546 0.0000000), wk = 0.0023866 k( 51) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0023866 k( 52) = ( 0.0000000 0.4636364 0.0000000), wk = 0.0023866 k( 53) = ( 0.0000000 0.4727273 0.0000000), wk = 0.0023866 k( 54) = ( 0.0000000 0.4818182 0.0000000), wk = 0.0023866 k( 55) = ( 0.0000000 0.4909091 0.0000000), wk = 0.0023866 k( 56) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023866 k( 57) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023866 k( 58) = ( 0.0090909 0.5000000 0.0000000), wk = 0.0023866 k( 59) = ( 0.0181818 0.5000000 0.0000000), wk = 0.0023866 k( 60) = ( 0.0272727 0.5000000 0.0000000), wk = 0.0023866 k( 61) = ( 0.0363636 0.5000000 0.0000000), wk = 0.0023866 k( 62) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0023866 k( 63) = ( 0.0545455 0.5000000 0.0000000), wk = 0.0023866 k( 64) = ( 0.0636364 0.5000000 0.0000000), wk = 0.0023866 k( 65) = ( 0.0727273 0.5000000 0.0000000), wk = 0.0023866 k( 66) = ( 0.0818182 0.5000000 0.0000000), wk = 0.0023866 k( 67) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0023866 k( 68) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0023866 k( 69) = ( 0.1090909 0.5000000 0.0000000), wk = 0.0023866 k( 70) = ( 0.1181818 0.5000000 0.0000000), wk = 0.0023866 k( 71) = ( 0.1272727 0.5000000 0.0000000), wk = 0.0023866 k( 72) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0023866 k( 73) = ( 0.1454545 0.5000000 0.0000000), wk = 0.0023866 k( 74) = ( 0.1545455 0.5000000 0.0000000), wk = 0.0023866 k( 75) = ( 0.1636364 0.5000000 0.0000000), wk = 0.0023866 k( 76) = ( 0.1727273 0.5000000 0.0000000), wk = 0.0023866 k( 77) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0023866 k( 78) = ( 0.1909091 0.5000000 0.0000000), wk = 0.0023866 k( 79) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0023866 k( 80) = ( 0.2090909 0.5000000 0.0000000), wk = 0.0023866 k( 81) = ( 0.2181818 0.5000000 0.0000000), wk = 0.0023866 k( 82) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0023866 k( 83) = ( 0.2363636 0.5000000 0.0000000), wk = 0.0023866 k( 84) = ( 0.2454545 0.5000000 0.0000000), wk = 0.0023866 k( 85) = ( 0.2545455 0.5000000 0.0000000), wk = 0.0023866 k( 86) = ( 0.2636364 0.5000000 0.0000000), wk = 0.0023866 k( 87) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0023866 k( 88) = ( 0.2818182 0.5000000 0.0000000), wk = 0.0023866 k( 89) = ( 0.2909091 0.5000000 0.0000000), wk = 0.0023866 k( 90) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0023866 k( 91) = ( 0.3090909 0.5000000 -0.0000000), wk = 0.0023866 k( 92) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0023866 k( 93) = ( 0.3272727 0.5000000 0.0000000), wk = 0.0023866 k( 94) = ( 0.3363636 0.5000000 0.0000000), wk = 0.0023866 k( 95) = ( 0.3454546 0.5000000 -0.0000000), wk = 0.0023866 k( 96) = ( 0.3545454 0.5000000 0.0000000), wk = 0.0023866 k( 97) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0023866 k( 98) = ( 0.3727273 0.5000000 0.0000000), wk = 0.0023866 k( 99) = ( 0.3818182 0.5000000 0.0000000), wk = 0.0023866 k( 100) = ( 0.3909091 0.5000000 0.0000000), wk = 0.0023866 k( 101) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0023866 k( 102) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0023866 k( 103) = ( 0.4181818 0.5000000 0.0000000), wk = 0.0023866 k( 104) = ( 0.4272727 0.5000000 0.0000000), wk = 0.0023866 k( 105) = ( 0.4363636 0.5000000 0.0000000), wk = 0.0023866 k( 106) = ( 0.4454546 0.5000000 0.0000000), wk = 0.0023866 k( 107) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0023866 k( 108) = ( 0.4636364 0.5000000 0.0000000), wk = 0.0023866 k( 109) = ( 0.4727273 0.5000000 0.0000000), wk = 0.0023866 k( 110) = ( 0.4818182 0.5000000 0.0000000), wk = 0.0023866 k( 111) = ( 0.4909091 0.5000000 0.0000000), wk = 0.0023866 k( 112) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023866 k( 113) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023866 k( 114) = ( 0.4935065 0.4935065 0.0000000), wk = 0.0023866 k( 115) = ( 0.4870130 0.4870130 0.0000000), wk = 0.0023866 k( 116) = ( 0.4805195 0.4805195 0.0000000), wk = 0.0023866 k( 117) = ( 0.4740260 0.4740260 0.0000000), wk = 0.0023866 k( 118) = ( 0.4675325 0.4675325 0.0000000), wk = 0.0023866 k( 119) = ( 0.4610390 0.4610390 0.0000000), wk = 0.0023866 k( 120) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0023866 k( 121) = ( 0.4480519 0.4480519 0.0000000), wk = 0.0023866 k( 122) = ( 0.4415584 0.4415584 -0.0000000), wk = 0.0023866 k( 123) = ( 0.4350649 0.4350649 0.0000000), wk = 0.0023866 k( 124) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0023866 k( 125) = ( 0.4220779 0.4220779 0.0000000), wk = 0.0023866 k( 126) = ( 0.4155844 0.4155844 0.0000000), wk = 0.0023866 k( 127) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0023866 k( 128) = ( 0.4025974 0.4025974 0.0000000), wk = 0.0023866 k( 129) = ( 0.3961039 0.3961039 0.0000000), wk = 0.0023866 k( 130) = ( 0.3896104 0.3896104 0.0000000), wk = 0.0023866 k( 131) = ( 0.3831169 0.3831169 -0.0000000), wk = 0.0023866 k( 132) = ( 0.3766234 0.3766234 0.0000000), wk = 0.0023866 k( 133) = ( 0.3701299 0.3701299 0.0000000), wk = 0.0023866 k( 134) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0023866 k( 135) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0023866 k( 136) = ( 0.3506494 0.3506494 0.0000000), wk = 0.0023866 k( 137) = ( 0.3441558 0.3441558 0.0000000), wk = 0.0023866 k( 138) = ( 0.3376623 0.3376623 0.0000000), wk = 0.0023866 k( 139) = ( 0.3311688 0.3311688 -0.0000000), wk = 0.0023866 k( 140) = ( 0.3246753 0.3246753 -0.0000000), wk = 0.0023866 k( 141) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0023866 k( 142) = ( 0.3116883 0.3116883 0.0000000), wk = 0.0023866 k( 143) = ( 0.3051948 0.3051948 -0.0000000), wk = 0.0023866 k( 144) = ( 0.2987013 0.2987013 -0.0000000), wk = 0.0023866 k( 145) = ( 0.2922078 0.2922078 0.0000000), wk = 0.0023866 k( 146) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0023866 k( 147) = ( 0.2792208 0.2792208 0.0000000), wk = 0.0023866 k( 148) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0023866 k( 149) = ( 0.2662338 0.2662338 0.0000000), wk = 0.0023866 k( 150) = ( 0.2597403 0.2597403 0.0000000), wk = 0.0023866 k( 151) = ( 0.2532468 0.2532468 0.0000000), wk = 0.0023866 k( 152) = ( 0.2467533 0.2467533 0.0000000), wk = 0.0023866 k( 153) = ( 0.2402597 0.2402597 0.0000000), wk = 0.0023866 k( 154) = ( 0.2337662 0.2337662 0.0000000), wk = 0.0023866 k( 155) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0023866 k( 156) = ( 0.2207792 0.2207792 -0.0000000), wk = 0.0023866 k( 157) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0023866 k( 158) = ( 0.2077922 0.2077922 0.0000000), wk = 0.0023866 k( 159) = ( 0.2012987 0.2012987 0.0000000), wk = 0.0023866 k( 160) = ( 0.1948052 0.1948052 0.0000000), wk = 0.0023866 k( 161) = ( 0.1883117 0.1883117 0.0000000), wk = 0.0023866 k( 162) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0023866 k( 163) = ( 0.1753247 0.1753247 0.0000000), wk = 0.0023866 k( 164) = ( 0.1688312 0.1688312 0.0000000), wk = 0.0023866 k( 165) = ( 0.1623377 0.1623377 -0.0000000), wk = 0.0023866 k( 166) = ( 0.1558442 0.1558442 -0.0000000), wk = 0.0023866 k( 167) = ( 0.1493507 0.1493507 -0.0000000), wk = 0.0023866 k( 168) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0023866 k( 169) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0023866 k( 170) = ( 0.1298701 0.1298701 0.0000000), wk = 0.0023866 k( 171) = ( 0.1233766 0.1233766 0.0000000), wk = 0.0023866 k( 172) = ( 0.1168831 0.1168831 0.0000000), wk = 0.0023866 k( 173) = ( 0.1103896 0.1103896 -0.0000000), wk = 0.0023866 k( 174) = ( 0.1038961 0.1038961 0.0000000), wk = 0.0023866 k( 175) = ( 0.0974026 0.0974026 0.0000000), wk = 0.0023866 k( 176) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0023866 k( 177) = ( 0.0844156 0.0844156 0.0000000), wk = 0.0023866 k( 178) = ( 0.0779221 0.0779221 -0.0000000), wk = 0.0023866 k( 179) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0023866 k( 180) = ( 0.0649351 0.0649351 0.0000000), wk = 0.0023866 k( 181) = ( 0.0584416 0.0584416 0.0000000), wk = 0.0023866 k( 182) = ( 0.0519481 0.0519481 0.0000000), wk = 0.0023866 k( 183) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0023866 k( 184) = ( 0.0389610 0.0389610 -0.0000000), wk = 0.0023866 k( 185) = ( 0.0324675 0.0324675 0.0000000), wk = 0.0023866 k( 186) = ( 0.0259740 0.0259740 0.0000000), wk = 0.0023866 k( 187) = ( 0.0194805 0.0194805 -0.0000000), wk = 0.0023866 k( 188) = ( 0.0129870 0.0129870 0.0000000), wk = 0.0023866 k( 189) = ( 0.0064935 0.0064935 -0.0000000), wk = 0.0023866 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023866 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023866 k( 192) = ( 0.0053191 0.0053191 0.0053191), wk = 0.0023866 k( 193) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0023866 k( 194) = ( 0.0159575 0.0159575 0.0159575), wk = 0.0023866 k( 195) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0023866 k( 196) = ( 0.0265957 0.0265957 0.0265957), wk = 0.0023866 k( 197) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0023866 k( 198) = ( 0.0372340 0.0372340 0.0372340), wk = 0.0023866 k( 199) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0023866 k( 200) = ( 0.0478723 0.0478723 0.0478723), wk = 0.0023866 k( 201) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0023866 k( 202) = ( 0.0585106 0.0585106 0.0585106), wk = 0.0023866 k( 203) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0023866 k( 204) = ( 0.0691489 0.0691489 0.0691489), wk = 0.0023866 k( 205) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0023866 k( 206) = ( 0.0797872 0.0797872 0.0797872), wk = 0.0023866 k( 207) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0023866 k( 208) = ( 0.0904255 0.0904255 0.0904255), wk = 0.0023866 k( 209) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0023866 k( 210) = ( 0.1010638 0.1010638 0.1010638), wk = 0.0023866 k( 211) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0023866 k( 212) = ( 0.1117021 0.1117021 0.1117021), wk = 0.0023866 k( 213) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0023866 k( 214) = ( 0.1223404 0.1223404 0.1223404), wk = 0.0023866 k( 215) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0023866 k( 216) = ( 0.1329787 0.1329787 0.1329787), wk = 0.0023866 k( 217) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0023866 k( 218) = ( 0.1436170 0.1436170 0.1436170), wk = 0.0023866 k( 219) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0023866 k( 220) = ( 0.1542553 0.1542553 0.1542553), wk = 0.0023866 k( 221) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0023866 k( 222) = ( 0.1648936 0.1648936 0.1648936), wk = 0.0023866 k( 223) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0023866 k( 224) = ( 0.1755319 0.1755319 0.1755319), wk = 0.0023866 k( 225) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0023866 k( 226) = ( 0.1861702 0.1861702 0.1861702), wk = 0.0023866 k( 227) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0023866 k( 228) = ( 0.1968085 0.1968085 0.1968085), wk = 0.0023866 k( 229) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0023866 k( 230) = ( 0.2074468 0.2074468 0.2074468), wk = 0.0023866 k( 231) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0023866 k( 232) = ( 0.2180851 0.2180851 0.2180851), wk = 0.0023866 k( 233) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0023866 k( 234) = ( 0.2287234 0.2287234 0.2287234), wk = 0.0023866 k( 235) = ( 0.2340425 0.2340425 0.2340425), wk = 0.0023866 k( 236) = ( 0.2393617 0.2393617 0.2393617), wk = 0.0023866 k( 237) = ( 0.2446809 0.2446809 0.2446809), wk = 0.0023866 k( 238) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023866 k( 239) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0023866 k( 240) = ( 0.2606383 0.2606383 0.2606383), wk = 0.0023866 k( 241) = ( 0.2659574 0.2659574 0.2659574), wk = 0.0023866 k( 242) = ( 0.2712766 0.2712766 0.2712766), wk = 0.0023866 k( 243) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0023866 k( 244) = ( 0.2819149 0.2819149 0.2819149), wk = 0.0023866 k( 245) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0023866 k( 246) = ( 0.2925532 0.2925532 0.2925532), wk = 0.0023866 k( 247) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0023866 k( 248) = ( 0.3031915 0.3031915 0.3031915), wk = 0.0023866 k( 249) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0023866 k( 250) = ( 0.3138298 0.3138298 0.3138298), wk = 0.0023866 k( 251) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0023866 k( 252) = ( 0.3244681 0.3244681 0.3244681), wk = 0.0023866 k( 253) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0023866 k( 254) = ( 0.3351064 0.3351064 0.3351064), wk = 0.0023866 k( 255) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0023866 k( 256) = ( 0.3457447 0.3457447 0.3457447), wk = 0.0023866 k( 257) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0023866 k( 258) = ( 0.3563830 0.3563830 0.3563830), wk = 0.0023866 k( 259) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0023866 k( 260) = ( 0.3670213 0.3670213 0.3670213), wk = 0.0023866 k( 261) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0023866 k( 262) = ( 0.3776596 0.3776596 0.3776596), wk = 0.0023866 k( 263) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0023866 k( 264) = ( 0.3882979 0.3882979 0.3882979), wk = 0.0023866 k( 265) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0023866 k( 266) = ( 0.3989362 0.3989362 0.3989362), wk = 0.0023866 k( 267) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0023866 k( 268) = ( 0.4095745 0.4095745 0.4095745), wk = 0.0023866 k( 269) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0023866 k( 270) = ( 0.4202128 0.4202128 0.4202128), wk = 0.0023866 k( 271) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0023866 k( 272) = ( 0.4308511 0.4308511 0.4308511), wk = 0.0023866 k( 273) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0023866 k( 274) = ( 0.4414894 0.4414894 0.4414894), wk = 0.0023866 k( 275) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0023866 k( 276) = ( 0.4521277 0.4521277 0.4521277), wk = 0.0023866 k( 277) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0023866 k( 278) = ( 0.4627660 0.4627660 0.4627660), wk = 0.0023866 k( 279) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0023866 k( 280) = ( 0.4734043 0.4734043 0.4734043), wk = 0.0023866 k( 281) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0023866 k( 282) = ( 0.4840426 0.4840426 0.4840426), wk = 0.0023866 k( 283) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0023866 k( 284) = ( 0.4946809 0.4946809 0.4946809), wk = 0.0023866 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023866 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023866 k( 287) = ( 0.4935065 0.5000000 0.4935065), wk = 0.0023866 k( 288) = ( 0.4870130 0.5000000 0.4870130), wk = 0.0023866 k( 289) = ( 0.4805195 0.5000000 0.4805195), wk = 0.0023866 k( 290) = ( 0.4740260 0.5000000 0.4740260), wk = 0.0023866 k( 291) = ( 0.4675325 0.5000000 0.4675325), wk = 0.0023866 k( 292) = ( 0.4610390 0.5000000 0.4610390), wk = 0.0023866 k( 293) = ( 0.4545455 0.5000000 0.4545455), wk = 0.0023866 k( 294) = ( 0.4480519 0.5000000 0.4480519), wk = 0.0023866 k( 295) = ( 0.4415584 0.5000000 0.4415584), wk = 0.0023866 k( 296) = ( 0.4350649 0.5000000 0.4350649), wk = 0.0023866 k( 297) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0023866 k( 298) = ( 0.4220779 0.5000000 0.4220779), wk = 0.0023866 k( 299) = ( 0.4155844 0.5000000 0.4155844), wk = 0.0023866 k( 300) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0023866 k( 301) = ( 0.4025974 0.5000000 0.4025974), wk = 0.0023866 k( 302) = ( 0.3961039 0.5000000 0.3961039), wk = 0.0023866 k( 303) = ( 0.3896104 0.5000000 0.3896104), wk = 0.0023866 k( 304) = ( 0.3831169 0.5000000 0.3831169), wk = 0.0023866 k( 305) = ( 0.3766234 0.5000000 0.3766234), wk = 0.0023866 k( 306) = ( 0.3701299 0.5000000 0.3701299), wk = 0.0023866 k( 307) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0023866 k( 308) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0023866 k( 309) = ( 0.3506494 0.5000000 0.3506494), wk = 0.0023866 k( 310) = ( 0.3441558 0.5000000 0.3441558), wk = 0.0023866 k( 311) = ( 0.3376623 0.5000000 0.3376623), wk = 0.0023866 k( 312) = ( 0.3311688 0.5000000 0.3311688), wk = 0.0023866 k( 313) = ( 0.3246753 0.5000000 0.3246753), wk = 0.0023866 k( 314) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0023866 k( 315) = ( 0.3116883 0.5000000 0.3116883), wk = 0.0023866 k( 316) = ( 0.3051948 0.5000000 0.3051948), wk = 0.0023866 k( 317) = ( 0.2987013 0.5000000 0.2987013), wk = 0.0023866 k( 318) = ( 0.2922078 0.5000000 0.2922078), wk = 0.0023866 k( 319) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0023866 k( 320) = ( 0.2792208 0.5000000 0.2792208), wk = 0.0023866 k( 321) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0023866 k( 322) = ( 0.2662338 0.5000000 0.2662338), wk = 0.0023866 k( 323) = ( 0.2597403 0.5000000 0.2597403), wk = 0.0023866 k( 324) = ( 0.2532468 0.5000000 0.2532468), wk = 0.0023866 k( 325) = ( 0.2467533 0.5000000 0.2467533), wk = 0.0023866 k( 326) = ( 0.2402597 0.5000000 0.2402597), wk = 0.0023866 k( 327) = ( 0.2337662 0.5000000 0.2337662), wk = 0.0023866 k( 328) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0023866 k( 329) = ( 0.2207792 0.5000000 0.2207792), wk = 0.0023866 k( 330) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0023866 k( 331) = ( 0.2077922 0.5000000 0.2077922), wk = 0.0023866 k( 332) = ( 0.2012987 0.5000000 0.2012987), wk = 0.0023866 k( 333) = ( 0.1948052 0.5000000 0.1948052), wk = 0.0023866 k( 334) = ( 0.1883117 0.5000000 0.1883117), wk = 0.0023866 k( 335) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0023866 k( 336) = ( 0.1753247 0.5000000 0.1753247), wk = 0.0023866 k( 337) = ( 0.1688312 0.5000000 0.1688312), wk = 0.0023866 k( 338) = ( 0.1623377 0.5000000 0.1623377), wk = 0.0023866 k( 339) = ( 0.1558442 0.5000000 0.1558442), wk = 0.0023866 k( 340) = ( 0.1493507 0.5000000 0.1493507), wk = 0.0023866 k( 341) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0023866 k( 342) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0023866 k( 343) = ( 0.1298701 0.5000000 0.1298701), wk = 0.0023866 k( 344) = ( 0.1233766 0.5000000 0.1233766), wk = 0.0023866 k( 345) = ( 0.1168831 0.5000000 0.1168831), wk = 0.0023866 k( 346) = ( 0.1103896 0.5000000 0.1103896), wk = 0.0023866 k( 347) = ( 0.1038961 0.5000000 0.1038961), wk = 0.0023866 k( 348) = ( 0.0974026 0.5000000 0.0974026), wk = 0.0023866 k( 349) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0023866 k( 350) = ( 0.0844156 0.5000000 0.0844156), wk = 0.0023866 k( 351) = ( 0.0779221 0.5000000 0.0779221), wk = 0.0023866 k( 352) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0023866 k( 353) = ( 0.0649351 0.5000000 0.0649351), wk = 0.0023866 k( 354) = ( 0.0584416 0.5000000 0.0584416), wk = 0.0023866 k( 355) = ( 0.0519481 0.5000000 0.0519481), wk = 0.0023866 k( 356) = ( 0.0454546 0.5000000 0.0454546), wk = 0.0023866 k( 357) = ( 0.0389610 0.5000000 0.0389610), wk = 0.0023866 k( 358) = ( 0.0324675 0.5000000 0.0324675), wk = 0.0023866 k( 359) = ( 0.0259740 0.5000000 0.0259740), wk = 0.0023866 k( 360) = ( 0.0194805 0.5000000 0.0194805), wk = 0.0023866 k( 361) = ( 0.0129870 0.5000000 0.0129870), wk = 0.0023866 k( 362) = ( 0.0064935 0.5000000 0.0064935), wk = 0.0023866 k( 363) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023866 k( 364) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023866 k( 365) = ( 0.5000000 0.5000000 0.0090909), wk = 0.0023866 k( 366) = ( 0.5000000 0.5000000 0.0181818), wk = 0.0023866 k( 367) = ( 0.5000000 0.5000000 0.0272727), wk = 0.0023866 k( 368) = ( 0.5000000 0.5000000 0.0363636), wk = 0.0023866 k( 369) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0023866 k( 370) = ( 0.5000000 0.5000000 0.0545455), wk = 0.0023866 k( 371) = ( 0.5000000 0.5000000 0.0636364), wk = 0.0023866 k( 372) = ( 0.5000000 0.5000000 0.0727273), wk = 0.0023866 k( 373) = ( 0.5000000 0.5000000 0.0818182), wk = 0.0023866 k( 374) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0023866 k( 375) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0023866 k( 376) = ( 0.5000000 0.5000000 0.1090909), wk = 0.0023866 k( 377) = ( 0.5000000 0.5000000 0.1181818), wk = 0.0023866 k( 378) = ( 0.5000000 0.5000000 0.1272727), wk = 0.0023866 k( 379) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0023866 k( 380) = ( 0.5000000 0.5000000 0.1454545), wk = 0.0023866 k( 381) = ( 0.5000000 0.5000000 0.1545455), wk = 0.0023866 k( 382) = ( 0.5000000 0.5000000 0.1636364), wk = 0.0023866 k( 383) = ( 0.5000000 0.5000000 0.1727273), wk = 0.0023866 k( 384) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0023866 k( 385) = ( 0.5000000 0.5000000 0.1909091), wk = 0.0023866 k( 386) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0023866 k( 387) = ( 0.5000000 0.5000000 0.2090909), wk = 0.0023866 k( 388) = ( 0.5000000 0.5000000 0.2181818), wk = 0.0023866 k( 389) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0023866 k( 390) = ( 0.5000000 0.5000000 0.2363636), wk = 0.0023866 k( 391) = ( 0.5000000 0.5000000 0.2454545), wk = 0.0023866 k( 392) = ( 0.5000000 0.5000000 0.2545455), wk = 0.0023866 k( 393) = ( 0.5000000 0.5000000 0.2636364), wk = 0.0023866 k( 394) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0023866 k( 395) = ( 0.5000000 0.5000000 0.2818182), wk = 0.0023866 k( 396) = ( 0.5000000 0.5000000 0.2909091), wk = 0.0023866 k( 397) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0023866 k( 398) = ( 0.5000000 0.5000000 0.3090909), wk = 0.0023866 k( 399) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0023866 k( 400) = ( 0.5000000 0.5000000 0.3272727), wk = 0.0023866 k( 401) = ( 0.5000000 0.5000000 0.3363636), wk = 0.0023866 k( 402) = ( 0.5000000 0.5000000 0.3454546), wk = 0.0023866 k( 403) = ( 0.5000000 0.5000000 0.3545454), wk = 0.0023866 k( 404) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0023866 k( 405) = ( 0.5000000 0.5000000 0.3727273), wk = 0.0023866 k( 406) = ( 0.5000000 0.5000000 0.3818182), wk = 0.0023866 k( 407) = ( 0.5000000 0.5000000 0.3909091), wk = 0.0023866 k( 408) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0023866 k( 409) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0023866 k( 410) = ( 0.5000000 0.5000000 0.4181818), wk = 0.0023866 k( 411) = ( 0.5000000 0.5000000 0.4272727), wk = 0.0023866 k( 412) = ( 0.5000000 0.5000000 0.4363636), wk = 0.0023866 k( 413) = ( 0.5000000 0.5000000 0.4454546), wk = 0.0023866 k( 414) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0023866 k( 415) = ( 0.5000000 0.5000000 0.4636364), wk = 0.0023866 k( 416) = ( 0.5000000 0.5000000 0.4727273), wk = 0.0023866 k( 417) = ( 0.5000000 0.5000000 0.4818182), wk = 0.0023866 k( 418) = ( 0.5000000 0.5000000 0.4909091), wk = 0.0023866 k( 419) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023866 Dense grid: 12965 G-vectors FFT dimensions: ( 30, 30, 30) Smooth grid: 6763 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 52, 30) NL pseudopotentials 0.03 Mb ( 26, 68) Each V/rho on FFT grid 0.01 Mb ( 900) Each G-vector array 0.00 Mb ( 360) G-vector shells 0.00 Mb ( 111) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 52, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./ZnNi.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.2 secs Computing kpt #: 11 total cpu time spent up to now is 3.3 secs Computing kpt #: 12 total cpu time spent up to now is 3.4 secs Computing kpt #: 13 total cpu time spent up to now is 3.5 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.8 secs Computing kpt #: 16 total cpu time spent up to now is 3.9 secs Computing kpt #: 17 total cpu time spent up to now is 4.0 secs Computing kpt #: 18 total cpu time spent up to now is 4.1 secs Computing kpt #: 19 total cpu time spent up to now is 4.2 secs Computing kpt #: 20 total cpu time spent up to now is 4.4 secs Computing kpt #: 21 total cpu time spent up to now is 4.5 secs Computing kpt #: 22 total cpu time spent up to now is 4.6 secs Computing kpt #: 23 total cpu time spent up to now is 4.7 secs Computing kpt #: 24 total cpu time spent up to now is 4.8 secs Computing kpt #: 25 total cpu time spent up to now is 5.0 secs Computing kpt #: 26 total cpu time spent up to now is 5.1 secs Computing kpt #: 27 total cpu time spent up to now is 5.2 secs Computing kpt #: 28 total cpu time spent up to now is 5.3 secs Computing kpt #: 29 total cpu time spent up to now is 5.4 secs Computing kpt #: 30 total cpu time spent up to now is 5.5 secs Computing kpt #: 31 total cpu time spent up to now is 5.6 secs Computing kpt #: 32 total cpu time spent up to now is 5.7 secs Computing kpt #: 33 total cpu time spent up to now is 5.8 secs Computing kpt #: 34 total cpu time spent up to now is 5.9 secs Computing kpt #: 35 total cpu time spent up to now is 6.0 secs Computing kpt #: 36 total cpu time spent up to now is 6.1 secs Computing kpt #: 37 total cpu time spent up to 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spent up to now is 8.3 secs Computing kpt #: 54 total cpu time spent up to now is 8.5 secs Computing kpt #: 55 total cpu time spent up to now is 8.6 secs Computing kpt #: 56 total cpu time spent up to now is 8.8 secs Computing kpt #: 57 total cpu time spent up to now is 9.0 secs Computing kpt #: 58 total cpu time spent up to now is 9.2 secs Computing kpt #: 59 total cpu time spent up to now is 9.5 secs Computing kpt #: 60 total cpu time spent up to now is 9.6 secs Computing kpt #: 61 total cpu time spent up to now is 9.7 secs Computing kpt #: 62 total cpu time spent up to now is 9.8 secs Computing kpt #: 63 total cpu time spent up to now is 9.9 secs Computing kpt #: 64 total cpu time spent up to now is 10.0 secs Computing kpt #: 65 total cpu time spent up to now is 10.1 secs Computing kpt #: 66 total cpu time spent up to now is 10.2 secs Computing kpt #: 67 total cpu time spent up to now is 10.3 secs Computing kpt #: 68 total cpu time spent up to now is 10.4 secs Computing kpt #: 69 total cpu time spent up to now is 10.5 secs Computing kpt #: 70 total cpu time spent up to now is 10.6 secs Computing kpt #: 71 total cpu time spent up to now is 10.7 secs Computing kpt #: 72 total cpu time spent up to now is 10.7 secs Computing kpt #: 73 total cpu time spent up to now is 10.8 secs Computing kpt #: 74 total cpu time spent up to now is 10.9 secs Computing kpt #: 75 total cpu time spent up to now is 11.0 secs Computing kpt #: 76 total cpu time spent up to now is 11.1 secs Computing kpt #: 77 total cpu time spent up to now is 11.2 secs Computing kpt #: 78 total cpu time spent up to now is 11.2 secs Computing kpt #: 79 total cpu time spent up to now is 11.3 secs Computing kpt #: 80 total cpu time spent up to now is 11.4 secs Computing kpt #: 81 total cpu time spent up to now is 11.5 secs Computing kpt #: 82 total cpu time spent up to now is 11.6 secs Computing kpt #: 83 total cpu time spent up to now is 11.7 secs Computing kpt #: 84 total cpu time spent up to now is 11.7 secs Computing kpt #: 85 total cpu time spent up to now is 11.8 secs Computing kpt #: 86 total cpu time spent up to now is 11.9 secs Computing kpt #: 87 total cpu time spent up to now is 12.0 secs Computing kpt #: 88 total cpu time spent up to now is 12.1 secs Computing kpt #: 89 total cpu time spent up to now is 12.2 secs Computing kpt #: 90 total cpu time spent up to now is 12.3 secs Computing kpt #: 91 total cpu time spent up to now is 12.4 secs Computing kpt #: 92 total cpu time spent up to now is 12.4 secs Computing kpt #: 93 total cpu time spent up to now is 12.5 secs Computing kpt #: 94 total cpu time spent up to now is 12.6 secs Computing kpt #: 95 total cpu time spent up to now is 12.7 secs Computing kpt #: 96 total cpu time spent up to now is 12.8 secs Computing kpt #: 97 total cpu time spent up to now is 12.9 secs Computing kpt #: 98 total cpu time spent up to now is 13.0 secs Computing kpt #: 99 total cpu time spent up to now is 13.1 secs Computing kpt #: 100 total cpu time spent up to now is 13.2 secs Computing kpt #: 101 total cpu time spent up to now is 13.2 secs Computing kpt #: 102 total cpu time spent up to now is 13.3 secs Computing kpt #: 103 total cpu time spent up to now is 13.4 secs Computing kpt #: 104 total cpu time spent up to now is 13.5 secs Computing kpt #: 105 total cpu time spent up to now is 13.6 secs Computing kpt #: 106 total cpu time spent up to now is 13.7 secs Computing kpt #: 107 total cpu time spent up to now is 13.8 secs Computing kpt #: 108 total cpu time spent up to now is 13.9 secs Computing kpt #: 109 total cpu time spent up to now is 13.9 secs Computing kpt #: 110 total cpu time spent up to now is 14.0 secs Computing kpt #: 111 total cpu time spent up to now is 14.1 secs Computing kpt #: 112 total cpu time spent up to now is 14.2 secs Computing kpt #: 113 total cpu time spent up to now is 14.3 secs Computing kpt #: 114 total cpu time spent up to now is 14.4 secs Computing kpt #: 115 total cpu time spent up to now is 14.4 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total cpu time spent up to now is 15.9 secs Computing kpt #: 132 total cpu time spent up to now is 16.0 secs Computing kpt #: 133 total cpu time spent up to now is 16.1 secs Computing kpt #: 134 total cpu time spent up to now is 16.2 secs Computing kpt #: 135 total cpu time spent up to now is 16.2 secs Computing kpt #: 136 total cpu time spent up to now is 16.3 secs Computing kpt #: 137 total cpu time spent up to now is 16.4 secs Computing kpt #: 138 total cpu time spent up to now is 16.5 secs Computing kpt #: 139 total cpu time spent up to now is 16.6 secs Computing kpt #: 140 total cpu time spent up to now is 16.7 secs Computing kpt #: 141 total cpu time spent up to now is 16.8 secs Computing kpt #: 142 total cpu time spent up to now is 16.8 secs Computing kpt #: 143 total cpu time spent up to now is 16.9 secs Computing kpt #: 144 total cpu time spent up to now is 17.0 secs Computing kpt #: 145 total cpu time spent up to now is 17.1 secs Computing kpt #: 146 total cpu time spent up to now is 17.2 secs Computing kpt #: 147 total cpu time spent up to now is 17.3 secs Computing kpt #: 148 total cpu time spent up to now is 17.3 secs Computing kpt #: 149 total cpu time spent up to now is 17.4 secs Computing kpt #: 150 total cpu time spent up to now is 17.5 secs Computing kpt #: 151 total cpu time spent up to now is 17.6 secs Computing kpt #: 152 total cpu time spent up to now is 17.7 secs Computing kpt #: 153 total cpu time spent up to now is 17.8 secs Computing kpt #: 154 total cpu time spent up to now is 17.9 secs Computing kpt #: 155 total cpu time spent up to now is 18.0 secs Computing kpt #: 156 total cpu time spent up to now is 18.1 secs Computing kpt #: 157 total cpu time spent up to now is 18.2 secs Computing kpt #: 158 total cpu time spent up to now is 18.3 secs Computing kpt #: 159 total cpu time spent up to now is 18.4 secs Computing kpt #: 160 total cpu time spent up to now is 18.5 secs Computing kpt #: 161 total cpu time spent up to now is 18.6 secs Computing kpt #: 162 total cpu time spent up to now is 18.7 secs Computing kpt #: 163 total cpu time spent up to now is 18.8 secs Computing kpt #: 164 total cpu time spent up to now is 18.9 secs Computing kpt #: 165 total cpu time spent up to now is 19.0 secs Computing kpt #: 166 total cpu time spent up to now is 19.1 secs Computing kpt #: 167 total cpu time spent up to now is 19.1 secs Computing kpt #: 168 total cpu time spent up to now is 19.2 secs Computing kpt #: 169 total cpu time spent up to now is 19.3 secs Computing kpt #: 170 total cpu time spent up to now is 19.5 secs Computing kpt #: 171 total cpu time spent up to now is 19.6 secs Computing kpt #: 172 total cpu time spent up to now is 19.7 secs Computing kpt #: 173 total cpu time spent up to now is 19.8 secs Computing kpt #: 174 total cpu time spent up to now is 19.9 secs Computing kpt #: 175 total cpu time spent up to now is 20.0 secs Computing kpt #: 176 total cpu time spent up to now is 20.1 secs Computing kpt #: 177 total cpu time spent up to now is 20.2 secs Computing kpt #: 178 total cpu time spent up to now is 20.3 secs Computing kpt #: 179 total cpu time spent up to now is 20.4 secs Computing kpt #: 180 total cpu time spent up to now is 20.5 secs Computing kpt #: 181 total cpu time spent up to now is 20.6 secs Computing kpt #: 182 total cpu time spent up to now is 20.7 secs Computing kpt #: 183 total cpu time spent up to now is 20.8 secs Computing kpt #: 184 total cpu time spent up to now is 21.0 secs Computing kpt #: 185 total cpu time spent up to now is 21.1 secs Computing kpt #: 186 total cpu time spent up to now is 21.2 secs Computing kpt #: 187 total cpu time spent up to now is 21.3 secs Computing kpt #: 188 total cpu time spent up to now is 21.4 secs Computing kpt #: 189 total cpu time spent up to now is 21.6 secs Computing kpt #: 190 total cpu time spent up to now is 21.6 secs Computing kpt #: 191 total cpu time spent up to now is 21.7 secs Computing kpt #: 192 total cpu time spent up 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Computing kpt #: 208 total cpu time spent up to now is 24.2 secs Computing kpt #: 209 total cpu time spent up to now is 24.4 secs Computing kpt #: 210 total cpu time spent up to now is 24.6 secs Computing kpt #: 211 total cpu time spent up to now is 24.8 secs Computing kpt #: 212 total cpu time spent up to now is 24.9 secs Computing kpt #: 213 total cpu time spent up to now is 25.1 secs Computing kpt #: 214 total cpu time spent up to now is 25.3 secs Computing kpt #: 215 total cpu time spent up to now is 25.4 secs Computing kpt #: 216 total cpu time spent up to now is 25.6 secs Computing kpt #: 217 total cpu time spent up to now is 25.7 secs Computing kpt #: 218 total cpu time spent up to now is 25.9 secs Computing kpt #: 219 total cpu time spent up to now is 26.1 secs Computing kpt #: 220 total cpu time spent up to now is 26.3 secs Computing kpt #: 221 total cpu time spent up to now is 26.6 secs Computing kpt #: 222 total cpu time spent up to now is 26.8 secs Computing kpt #: 223 total cpu time spent up to now is 27.0 secs Computing kpt #: 224 total cpu time spent up to now is 27.2 secs Computing kpt #: 225 total cpu time spent up to now is 27.4 secs Computing kpt #: 226 total cpu time spent up to now is 27.6 secs Computing kpt #: 227 total cpu time spent up to now is 27.8 secs Computing kpt #: 228 total cpu time spent up to now is 28.0 secs Computing kpt #: 229 total cpu time spent up to now is 28.2 secs Computing kpt #: 230 total cpu time spent up to now is 28.4 secs Computing kpt #: 231 total cpu time spent up to now is 28.6 secs Computing kpt #: 232 total cpu time spent up to now is 28.8 secs Computing kpt #: 233 total cpu time spent up to now is 28.9 secs Computing kpt #: 234 total cpu time spent up to now is 29.1 secs Computing kpt #: 235 total cpu time spent up to now is 29.2 secs Computing kpt #: 236 total cpu time spent up to now is 29.4 secs Computing kpt #: 237 total cpu time spent up to now is 29.6 secs Computing kpt #: 238 total cpu time spent up to now is 29.8 secs Computing kpt #: 239 total cpu time spent up to now is 29.9 secs Computing kpt #: 240 total cpu time spent up to now is 30.1 secs Computing kpt #: 241 total cpu time spent up to now is 30.3 secs Computing kpt #: 242 total cpu time spent up to now is 30.4 secs Computing kpt #: 243 total cpu time spent up to now is 30.5 secs Computing kpt #: 244 total cpu time spent up to now is 30.7 secs Computing kpt #: 245 total cpu time spent up to now is 30.8 secs Computing kpt #: 246 total cpu time spent up to now is 31.0 secs Computing kpt #: 247 total cpu time spent up to now is 31.1 secs Computing kpt #: 248 total cpu time spent up to now is 31.3 secs Computing kpt #: 249 total cpu time spent up to now is 31.4 secs Computing kpt #: 250 total cpu time spent up to now is 31.6 secs Computing kpt #: 251 total cpu time spent up to now is 31.8 secs Computing kpt #: 252 total cpu time spent up to now is 31.9 secs Computing kpt #: 253 total cpu time spent up to now is 32.1 secs Computing kpt #: 254 total cpu time spent up to now is 32.3 secs Computing kpt #: 255 total cpu time spent up to now is 32.4 secs Computing kpt #: 256 total cpu time spent up to now is 32.6 secs Computing kpt #: 257 total cpu time spent up to now is 32.8 secs Computing kpt #: 258 total cpu time spent up to now is 32.9 secs Computing kpt #: 259 total cpu time spent up to now is 33.1 secs Computing kpt #: 260 total cpu time spent up to now is 33.2 secs Computing kpt #: 261 total cpu time spent up to now is 33.4 secs Computing kpt #: 262 total cpu time spent up to now is 33.5 secs Computing kpt #: 263 total cpu time spent up to now is 33.7 secs Computing kpt #: 264 total cpu time spent up to now is 33.8 secs Computing kpt #: 265 total cpu time spent up to now is 34.0 secs Computing kpt #: 266 total cpu time spent up to now is 34.2 secs Computing kpt #: 267 total cpu time spent up to now is 34.4 secs Computing kpt #: 268 total cpu time spent up to now is 34.9 secs Computing kpt #: 269 total cpu time spent up to now is 35.1 secs Computing kpt #: 270 total cpu time spent up to now is 35.2 secs Computing kpt #: 271 total cpu time spent up to now is 35.3 secs Computing kpt #: 272 total cpu time spent up to now is 35.4 secs Computing kpt #: 273 total cpu time spent up to now is 35.5 secs Computing kpt #: 274 total cpu time spent up to now is 35.6 secs Computing kpt #: 275 total cpu time spent up to now is 35.7 secs Computing kpt #: 276 total cpu time spent up to now is 35.8 secs Computing kpt #: 277 total cpu time spent up to now is 35.9 secs Computing kpt #: 278 total cpu time spent up to now is 36.0 secs Computing kpt #: 279 total cpu time spent up to now is 36.1 secs Computing kpt #: 280 total cpu time spent up to now is 36.2 secs Computing kpt #: 281 total cpu time spent up to now is 36.3 secs Computing kpt #: 282 total cpu time spent up to now is 36.4 secs Computing kpt #: 283 total cpu time spent up to now is 36.6 secs Computing kpt #: 284 total cpu time spent up to now is 36.7 secs Computing kpt #: 285 total cpu time spent up to now is 36.8 secs Computing kpt #: 286 total cpu time spent up to now is 36.9 secs Computing kpt #: 287 total cpu time spent up to now is 37.0 secs Computing kpt #: 288 total cpu time spent up to now is 37.1 secs Computing kpt #: 289 total cpu time spent up to now is 37.2 secs Computing kpt #: 290 total cpu time spent up to now is 37.3 secs Computing kpt #: 291 total cpu time spent up to now is 37.4 secs Computing kpt #: 292 total cpu time spent up to now is 37.5 secs Computing kpt #: 293 total cpu time spent up to now is 37.6 secs Computing kpt #: 294 total cpu time spent up to now is 37.7 secs Computing kpt #: 295 total cpu time spent up to now is 37.8 secs Computing kpt #: 296 total cpu time spent up to now is 37.9 secs Computing kpt #: 297 total cpu time spent up to now is 38.0 secs Computing kpt #: 298 total cpu time spent up to now is 38.1 secs Computing kpt #: 299 total cpu time spent up to now is 38.2 secs Computing kpt #: 300 total cpu time spent up to now is 38.3 secs Computing kpt #: 301 total cpu time spent up to now is 38.4 secs Computing kpt #: 302 total cpu time spent up to now is 38.4 secs Computing kpt #: 303 total cpu time spent up to now is 38.5 secs Computing kpt #: 304 total cpu time spent up to now is 38.6 secs Computing kpt #: 305 total cpu time spent up to now is 38.7 secs Computing kpt #: 306 total cpu time spent up to now is 38.8 secs Computing kpt #: 307 total cpu time spent up to now is 38.9 secs Computing kpt #: 308 total cpu time spent up to now is 39.0 secs Computing kpt #: 309 total cpu time spent up to now is 39.1 secs Computing kpt #: 310 total cpu time spent up to now is 39.2 secs Computing kpt #: 311 total cpu time spent up to now is 39.3 secs Computing kpt #: 312 total cpu time spent up to now is 39.4 secs Computing kpt #: 313 total cpu time spent up to now is 39.5 secs Computing kpt #: 314 total cpu time spent up to now is 39.6 secs Computing kpt #: 315 total cpu time spent up to now is 39.7 secs Computing kpt #: 316 total cpu time spent up to now is 39.8 secs Computing kpt #: 317 total cpu time spent up to now is 39.9 secs Computing kpt #: 318 total cpu time spent up to now is 40.0 secs Computing kpt #: 319 total cpu time spent up to now is 40.1 secs Computing kpt #: 320 total cpu time spent up to now is 40.2 secs Computing kpt #: 321 total cpu time spent up to now is 40.3 secs Computing kpt #: 322 total cpu time spent up to now is 40.4 secs Computing kpt #: 323 total cpu time spent up to now is 40.5 secs Computing kpt #: 324 total cpu time spent up to now is 40.6 secs Computing kpt #: 325 total cpu time spent up to now is 40.7 secs Computing kpt #: 326 total cpu time spent up to now is 40.8 secs Computing kpt #: 327 total cpu time spent up to now is 40.9 secs Computing kpt #: 328 total cpu time spent up to now is 41.0 secs Computing kpt #: 329 total cpu time spent up to now is 41.1 secs Computing kpt #: 330 total cpu time spent up to now is 41.2 secs Computing kpt #: 331 total cpu time spent up to now is 41.3 secs Computing kpt #: 332 total cpu time spent up to now is 41.4 secs Computing kpt #: 333 total cpu time spent up to now is 41.5 secs Computing kpt #: 334 total cpu time spent up to now is 41.6 secs Computing kpt #: 335 total cpu time spent up to now is 41.7 secs Computing kpt #: 336 total cpu time spent up to now is 41.8 secs Computing kpt #: 337 total cpu time spent up to now is 41.9 secs Computing kpt #: 338 total cpu time spent up to now is 42.0 secs Computing kpt #: 339 total cpu time spent up to now is 42.1 secs Computing kpt #: 340 total cpu time spent up to now is 42.2 secs Computing kpt #: 341 total cpu time spent up to now is 42.3 secs Computing kpt #: 342 total cpu time spent up to now is 42.5 secs Computing kpt #: 343 total cpu time spent up to now is 42.6 secs Computing kpt #: 344 total cpu time spent up to now is 42.7 secs Computing kpt #: 345 total cpu time spent up to now is 42.8 secs Computing kpt #: 346 total cpu time spent up to now is 43.0 secs Computing kpt #: 347 total cpu time spent up to now is 43.1 secs Computing kpt #: 348 total cpu time spent up to now is 43.2 secs Computing kpt #: 349 total cpu time spent up to now is 43.4 secs Computing kpt #: 350 total cpu time spent up to now is 43.5 secs Computing kpt #: 351 total cpu time spent up to now is 43.7 secs Computing kpt #: 352 total cpu time spent up to now is 43.8 secs Computing kpt #: 353 total cpu time spent up to now is 44.0 secs Computing kpt #: 354 total cpu time spent up to now is 44.2 secs Computing kpt #: 355 total cpu time spent up to now is 44.3 secs Computing kpt #: 356 total cpu time spent up to now is 44.5 secs Computing kpt #: 357 total cpu time spent up to now is 44.6 secs Computing kpt #: 358 total cpu time spent up to now is 44.8 secs Computing kpt #: 359 total cpu time spent up to now is 44.9 secs Computing kpt #: 360 total cpu time spent up to now is 45.1 secs Computing kpt #: 361 total cpu time spent up to now is 45.3 secs Computing kpt #: 362 total cpu time spent up to now is 45.5 secs Computing kpt #: 363 total cpu time spent up to now is 45.6 secs Computing kpt #: 364 total cpu time spent up to now is 45.7 secs Computing kpt #: 365 total cpu time spent up to now is 45.8 secs Computing kpt #: 366 total cpu time spent up to now is 45.9 secs Computing kpt #: 367 total cpu time spent up to now is 46.0 secs Computing kpt #: 368 total cpu time spent up to now is 46.1 secs Computing kpt #: 369 total cpu time spent up to now is 46.2 secs Computing kpt #: 370 total cpu time spent up to now is 46.3 secs Computing kpt #: 371 total cpu time spent up to now is 46.4 secs Computing kpt #: 372 total cpu time spent up to now is 46.4 secs Computing kpt #: 373 total cpu time spent up to now is 46.5 secs Computing kpt #: 374 total cpu time spent up to now is 46.6 secs Computing kpt #: 375 total cpu time spent up to now is 46.7 secs Computing kpt #: 376 total cpu time spent up to now is 46.8 secs Computing kpt #: 377 total cpu time spent up to now is 46.9 secs Computing kpt #: 378 total cpu time spent up to now is 47.0 secs Computing kpt #: 379 total cpu time spent up to now is 47.1 secs Computing kpt #: 380 total cpu time spent up to now is 47.2 secs Computing kpt #: 381 total cpu time spent up to now is 47.3 secs Computing kpt #: 382 total cpu time spent up to now is 47.4 secs Computing kpt #: 383 total cpu time spent up to now is 47.5 secs Computing kpt #: 384 total cpu time spent up to now is 47.5 secs Computing kpt #: 385 total cpu time spent up to now is 47.6 secs Computing kpt #: 386 total cpu time spent up to now is 47.7 secs Computing kpt #: 387 total cpu time spent up to now is 47.8 secs Computing kpt #: 388 total cpu time spent up to now is 47.9 secs Computing kpt #: 389 total cpu time spent up to now is 48.0 secs Computing kpt #: 390 total cpu time spent up to now is 48.0 secs Computing kpt #: 391 total cpu time spent up to now is 48.1 secs Computing kpt #: 392 total cpu time spent up to now is 48.2 secs Computing kpt #: 393 total cpu time spent up to now is 48.3 secs Computing kpt #: 394 total cpu time spent up to now is 48.4 secs Computing kpt #: 395 total cpu time spent up to now is 48.4 secs Computing kpt #: 396 total cpu time spent up to now is 48.5 secs Computing kpt #: 397 total cpu time spent up to now is 48.6 secs Computing kpt #: 398 total cpu time spent up to now is 48.7 secs Computing kpt #: 399 total cpu time spent up to now is 48.7 secs Computing kpt #: 400 total cpu time spent up to now is 48.8 secs Computing kpt #: 401 total cpu time spent up to now is 48.9 secs Computing kpt #: 402 total cpu time spent up to now is 49.0 secs Computing kpt #: 403 total cpu time spent up to now is 49.1 secs Computing kpt #: 404 total cpu time spent up to now is 49.1 secs Computing kpt #: 405 total cpu time spent up to now is 49.2 secs Computing kpt #: 406 total cpu time spent up to now is 49.3 secs Computing kpt #: 407 total cpu time spent up to now is 49.4 secs Computing kpt #: 408 total cpu time spent up to now is 49.4 secs Computing kpt #: 409 total cpu time spent up to now is 49.5 secs Computing kpt #: 410 total cpu time spent up to now is 49.6 secs Computing kpt #: 411 total cpu time spent up to now is 49.8 secs Computing kpt #: 412 total cpu time spent up to now is 49.8 secs Computing kpt #: 413 total cpu time spent up to now is 49.9 secs Computing kpt #: 414 total cpu time spent up to now is 50.0 secs Computing kpt #: 415 total cpu time spent up to now is 50.1 secs Computing kpt #: 416 total cpu time spent up to now is 50.2 secs Computing kpt #: 417 total cpu time spent up to now is 50.3 secs Computing kpt #: 418 total cpu time spent up to now is 50.5 secs Computing kpt #: 419 total cpu time spent up to now is 50.6 secs ethr = 4.55E-08, avg # of iterations = 18.4 total cpu time spent up to now is 50.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 847 PWs) bands (ev): 2.7616 2.7616 5.2646 5.2646 5.2646 5.2646 6.0277 6.0277 6.0277 6.0277 6.2086 6.2086 10.6460 10.6460 10.6460 10.6460 11.8166 11.8166 11.8166 11.8166 11.9563 11.9563 19.6465 19.6465 19.9261 19.9261 19.9261 19.9261 25.1663 25.1663 k = 0.0000 0.0091-0.0000 ( 847 PWs) bands (ev): 2.7631 2.7631 5.2648 5.2648 5.2649 5.2649 6.0276 6.0276 6.0277 6.0277 6.2086 6.2086 10.6459 10.6459 10.6461 10.6461 11.8159 11.8159 11.8164 11.8164 11.9558 11.9558 19.6429 19.6429 19.9163 19.9163 19.9286 19.9286 25.1670 25.1670 k = 0.0000 0.0182-0.0000 ( 847 PWs) bands (ev): 2.7678 2.7678 5.2653 5.2653 5.2659 5.2659 6.0272 6.0272 6.0277 6.0277 6.2083 6.2083 10.6457 10.6457 10.6464 10.6464 11.8137 11.8137 11.8155 11.8155 11.9543 11.9543 19.6289 19.6289 19.8908 19.8908 19.9363 19.9363 25.1690 25.1690 k = 0.0000 0.0273-0.0000 ( 847 PWs) bands (ev): 2.7755 2.7755 5.2662 5.2662 5.2675 5.2675 6.0266 6.0266 6.0278 6.0278 6.2079 6.2079 10.6453 10.6453 10.6469 10.6469 11.8101 11.8101 11.8141 11.8141 11.9517 11.9517 19.5943 19.5943 19.8616 19.8616 19.9491 19.9491 25.1723 25.1723 k = 0.0000 0.0364-0.0000 ( 847 PWs) bands (ev): 2.7863 2.7863 5.2674 5.2674 5.2698 5.2698 6.0257 6.0257 6.0278 6.0278 6.2074 6.2074 10.6447 10.6447 10.6475 10.6475 11.8050 11.8050 11.8120 11.8120 11.9482 11.9482 19.5264 19.5264 19.8440 19.8440 19.9669 19.9669 25.1769 25.1769 k = 0.0000 0.0455-0.0000 ( 843 PWs) bands (ev): 2.8002 2.8002 5.2690 5.2690 5.2728 5.2728 6.0247 6.0247 6.0279 6.0279 6.2068 6.2068 10.6440 10.6440 10.6485 10.6485 11.7986 11.7986 11.8093 11.8093 11.9440 11.9440 19.4220 19.4220 19.8441 19.8441 19.9898 19.9898 25.1829 25.1829 k = 0.0000 0.0545-0.0000 ( 839 PWs) bands (ev): 2.8172 2.8172 5.2709 5.2709 5.2763 5.2763 6.0234 6.0234 6.0280 6.0280 6.2060 6.2060 10.6431 10.6431 10.6494 10.6494 11.7909 11.7909 11.8060 11.8060 11.9391 11.9391 19.2879 19.2879 19.8586 19.8586 20.0177 20.0177 25.1902 25.1902 k = 0.0000 0.0636-0.0000 ( 847 PWs) bands (ev): 2.8372 2.8372 5.2731 5.2731 5.2803 5.2803 6.0217 6.0217 6.0280 6.0280 6.2051 6.2051 10.6420 10.6420 10.6502 10.6502 11.7815 11.7815 11.8016 11.8016 11.9332 11.9332 19.1311 19.1311 19.8833 19.8833 20.0506 20.0506 25.1988 25.1988 k = 0.0000 0.0727-0.0000 ( 835 PWs) bands (ev): 2.8603 2.8603 5.2757 5.2757 5.2851 5.2851 6.0202 6.0202 6.0282 6.0282 6.2042 6.2042 10.6410 10.6410 10.6512 10.6512 11.7714 11.7714 11.7966 11.7966 11.9274 11.9274 18.9570 18.9570 19.9159 19.9159 20.0884 20.0884 25.2089 25.2089 k = 0.0000 0.0818-0.0000 ( 835 PWs) bands (ev): 2.8864 2.8864 5.2786 5.2786 5.2906 5.2906 6.0182 6.0182 6.0282 6.0282 6.2031 6.2031 10.6396 10.6396 10.6523 10.6523 11.7597 11.7597 11.7904 11.7904 11.9210 11.9210 18.7697 18.7697 19.9550 19.9550 20.1311 20.1311 25.2203 25.2203 k = 0.0000 0.0909-0.0000 ( 835 PWs) bands (ev): 2.9155 2.9155 5.2818 5.2818 5.2966 5.2966 6.0160 6.0160 6.0282 6.0282 6.2019 6.2019 10.6381 10.6381 10.6532 10.6532 11.7468 11.7468 11.7829 11.7829 11.9144 11.9144 18.5719 18.5719 20.0000 20.0000 20.1785 20.1785 25.2329 25.2329 k = 0.0000 0.1000-0.0000 ( 843 PWs) bands (ev): 2.9476 2.9476 5.2850 5.2850 5.3032 5.3032 6.0135 6.0135 6.0280 6.0280 6.2006 6.2006 10.6362 10.6362 10.6540 10.6540 11.7327 11.7327 11.7741 11.7741 11.9077 11.9077 18.3660 18.3660 20.0503 20.0503 20.2307 20.2307 25.2468 25.2468 k = 0.0000 0.1091-0.0000 ( 843 PWs) bands (ev): 2.9828 2.9828 5.2888 5.2888 5.3104 5.3104 6.0110 6.0110 6.0279 6.0279 6.1992 6.1992 10.6344 10.6344 10.6545 10.6545 11.7177 11.7177 11.7642 11.7642 11.9013 11.9013 18.1540 18.1540 20.1058 20.1058 20.2875 20.2875 25.2622 25.2622 k = 0.0000 0.1182-0.0000 ( 843 PWs) bands (ev): 3.0208 3.0208 5.2929 5.2929 5.3182 5.3182 6.0082 6.0082 6.0277 6.0277 6.1979 6.1979 10.6325 10.6325 10.6548 10.6548 11.7017 11.7017 11.7529 11.7529 11.8952 11.8952 17.9373 17.9373 20.1661 20.1661 20.3489 20.3489 25.2789 25.2789 k = 0.0000 0.1273-0.0000 ( 843 PWs) bands (ev): 3.0618 3.0618 5.2972 5.2972 5.3266 5.3266 6.0054 6.0054 6.0274 6.0274 6.1965 6.1965 10.6304 10.6304 10.6546 10.6546 11.6849 11.6849 11.7403 11.7403 11.8895 11.8895 17.7174 17.7174 20.2311 20.2311 20.4148 20.4148 25.2970 25.2970 k = 0.0000 0.1364-0.0000 ( 844 PWs) bands (ev): 3.1057 3.1057 5.3017 5.3017 5.3355 5.3355 6.0024 6.0024 6.0270 6.0270 6.1951 6.1951 10.6282 10.6282 10.6538 10.6538 11.6673 11.6673 11.7264 11.7264 11.8841 11.8841 17.4953 17.4953 20.3007 20.3007 20.4851 20.4851 25.3166 25.3166 k = 0.0000 0.1455-0.0000 ( 840 PWs) bands (ev): 3.1525 3.1525 5.3065 5.3065 5.3451 5.3451 5.9993 5.9993 6.0265 6.0265 6.1938 6.1938 10.6259 10.6259 10.6526 10.6526 11.6490 11.6490 11.7114 11.7114 11.8791 11.8791 17.2720 17.2720 20.3747 20.3747 20.5597 20.5597 25.3375 25.3375 k = 0.0000 0.1545-0.0000 ( 840 PWs) bands (ev): 3.2021 3.2021 5.3115 5.3115 5.3551 5.3551 5.9961 5.9961 6.0259 6.0259 6.1926 6.1926 10.6235 10.6235 10.6504 10.6504 11.6300 11.6300 11.6953 11.6953 11.8744 11.8744 17.0483 17.0483 20.4531 20.4531 20.6385 20.6385 25.3598 25.3598 k = 0.0000 0.1636-0.0000 ( 840 PWs) bands (ev): 3.2545 3.2545 5.3167 5.3167 5.3656 5.3656 5.9928 5.9928 6.0251 6.0251 6.1914 6.1914 10.6210 10.6210 10.6472 10.6472 11.6104 11.6104 11.6783 11.6783 11.8701 11.8701 16.8249 16.8249 20.5356 20.5356 20.7216 20.7216 25.3835 25.3835 k = 0.0000 0.1727-0.0000 ( 840 PWs) bands (ev): 3.3096 3.3096 5.3221 5.3221 5.3767 5.3767 5.9895 5.9895 6.0242 6.0242 6.1902 6.1902 10.6183 10.6183 10.6429 10.6429 11.5902 11.5902 11.6604 11.6604 11.8660 11.8660 16.6024 16.6024 20.6223 20.6223 20.8086 20.8086 25.4086 25.4086 k = 0.0000 0.1818-0.0000 ( 832 PWs) bands (ev): 3.3674 3.3674 5.3278 5.3278 5.3884 5.3884 5.9863 5.9863 6.0232 6.0232 6.1893 6.1893 10.6157 10.6157 10.6374 10.6374 11.5700 11.5700 11.6421 11.6421 11.8622 11.8622 16.3816 16.3816 20.7130 20.7130 20.8997 20.8997 25.4353 25.4353 k = 0.0000 0.1909-0.0000 ( 832 PWs) bands (ev): 3.4279 3.4279 5.3335 5.3335 5.4006 5.4006 5.9830 5.9830 6.0220 6.0220 6.1884 6.1884 10.6129 10.6129 10.6301 10.6301 11.5490 11.5490 11.6229 11.6229 11.8586 11.8586 16.1629 16.1629 20.8076 20.8076 20.9946 20.9946 25.4632 25.4632 k = 0.0000 0.2000-0.0000 ( 832 PWs) bands (ev): 3.4908 3.4908 5.3393 5.3393 5.4133 5.4133 5.9797 5.9797 6.0206 6.0206 6.1877 6.1877 10.6101 10.6101 10.6211 10.6211 11.5278 11.5278 11.6033 11.6033 11.8551 11.8551 15.9469 15.9469 20.9061 20.9061 21.0933 21.0933 25.4927 25.4927 k = 0.0000 0.2091-0.0000 ( 840 PWs) bands (ev): 3.5562 3.5562 5.3452 5.3452 5.4265 5.4265 5.9764 5.9764 6.0189 6.0189 6.1869 6.1869 10.6070 10.6070 10.6100 10.6100 11.5061 11.5061 11.5830 11.5830 11.8517 11.8517 15.7340 15.7340 21.0082 21.0082 21.1957 21.1957 25.5235 25.5235 k = 0.0000 0.2182-0.0000 ( 840 PWs) bands (ev): 3.6240 3.6240 5.3513 5.3513 5.4404 5.4404 5.9733 5.9733 6.0172 6.0172 6.1865 6.1865 10.5964 10.5964 10.6040 10.6040 11.4846 11.4846 11.5627 11.5627 11.8485 11.8485 15.5249 15.5249 21.1141 21.1141 21.3018 21.3018 25.5558 25.5558 k = 0.0000 0.2273-0.0000 ( 844 PWs) bands (ev): 3.6940 3.6940 5.3574 5.3574 5.4546 5.4546 5.9704 5.9704 6.0154 6.0154 6.1862 6.1862 10.5799 10.5799 10.6010 10.6010 11.4629 11.4629 11.5423 11.5423 11.8454 11.8454 15.3200 15.3200 21.2234 21.2234 21.4114 21.4114 25.5895 25.5895 k = 0.0000 0.2364-0.0000 ( 844 PWs) bands (ev): 3.7661 3.7661 5.3635 5.3635 5.4697 5.4697 5.9677 5.9677 6.0133 6.0133 6.1860 6.1860 10.5605 10.5605 10.5979 10.5979 11.4412 11.4412 11.5218 11.5218 11.8424 11.8424 15.1199 15.1199 21.3363 21.3363 21.5245 21.5245 25.6247 25.6247 k = 0.0000 0.2455-0.0000 ( 844 PWs) bands (ev): 3.8402 3.8402 5.3697 5.3697 5.4856 5.4856 5.9653 5.9653 6.0112 6.0112 6.1861 6.1861 10.5376 10.5376 10.5948 10.5948 11.4196 11.4196 11.5014 11.5014 11.8396 11.8396 14.9251 14.9251 21.4525 21.4525 21.6409 21.6409 25.6613 25.6613 k = 0.0000 0.2545-0.0000 ( 844 PWs) bands (ev): 3.9160 3.9160 5.3759 5.3759 5.5021 5.5021 5.9632 5.9632 6.0089 6.0089 6.1862 6.1862 10.5108 10.5108 10.5916 10.5916 11.3981 11.3981 11.4810 11.4810 11.8368 11.8368 14.7362 14.7362 21.5721 21.5721 21.7607 21.7607 25.6994 25.6994 k = 0.0000 0.2636-0.0000 ( 844 PWs) bands (ev): 3.9934 3.9934 5.3820 5.3820 5.5195 5.5195 5.9616 5.9616 6.0065 6.0065 6.1865 6.1865 10.4795 10.4795 10.5885 10.5885 11.3767 11.3767 11.4608 11.4608 11.8340 11.8340 14.5537 14.5537 21.6949 21.6949 21.8837 21.8837 25.7389 25.7389 k = 0.0000 0.2727-0.0000 ( 844 PWs) bands (ev): 4.0721 4.0721 5.3882 5.3882 5.5378 5.5378 5.9605 5.9605 6.0040 6.0040 6.1870 6.1870 10.4434 10.4434 10.5853 10.5853 11.3556 11.3556 11.4409 11.4409 11.8314 11.8314 14.3781 14.3781 21.8209 21.8209 22.0098 22.0098 25.7798 25.7798 k = 0.0000 0.2818-0.0000 ( 844 PWs) bands (ev): 4.1517 4.1517 5.3943 5.3943 5.5572 5.5572 5.9602 5.9602 6.0014 6.0014 6.1875 6.1875 10.4019 10.4019 10.5821 10.5821 11.3348 11.3348 11.4212 11.4212 11.8288 11.8288 14.2101 14.2101 21.9499 21.9499 22.1390 22.1390 25.8221 25.8221 k = 0.0000 0.2909-0.0000 ( 844 PWs) bands (ev): 4.2321 4.2321 5.4003 5.4003 5.5776 5.5776 5.9608 5.9608 5.9988 5.9988 6.1882 6.1882 10.3545 10.3545 10.5790 10.5790 11.3144 11.3144 11.4020 11.4020 11.8263 11.8263 14.0502 14.0502 22.0819 22.0819 22.2712 22.2712 25.8658 25.8658 k = 0.0000 0.3000-0.0000 ( 840 PWs) bands (ev): 4.3126 4.3126 5.4062 5.4062 5.5992 5.5992 5.9626 5.9626 5.9962 5.9962 6.1890 6.1890 10.3008 10.3008 10.5760 10.5760 11.2945 11.2945 11.3833 11.3833 11.8239 11.8239 13.8989 13.8989 22.2169 22.2169 22.4064 22.4064 25.9108 25.9108 k = 0.0000 0.3091-0.0000 ( 844 PWs) bands (ev): 4.3928 4.3928 5.4120 5.4120 5.6219 5.6219 5.9659 5.9659 5.9935 5.9935 6.1898 6.1898 10.2401 10.2401 10.5729 10.5729 11.2750 11.2750 11.3649 11.3649 11.8215 11.8215 13.7565 13.7565 22.3547 22.3547 22.5444 22.5444 25.9572 25.9572 k = 0.0000 0.3182-0.0000 ( 844 PWs) bands (ev): 4.4722 4.4722 5.4177 5.4177 5.6458 5.6458 5.9714 5.9714 5.9907 5.9907 6.1908 6.1908 10.1727 10.1727 10.5699 10.5699 11.2561 11.2561 11.3471 11.3471 11.8193 11.8193 13.6236 13.6236 22.4954 22.4954 22.6852 22.6852 26.0047 26.0047 k = 0.0000 0.3273-0.0000 ( 844 PWs) bands (ev): 4.5502 4.5502 5.4232 5.4232 5.6706 5.6706 5.9798 5.9798 5.9881 5.9881 6.1918 6.1918 10.0980 10.0980 10.5670 10.5670 11.2377 11.2377 11.3298 11.3298 11.8171 11.8171 13.5004 13.5004 22.6387 22.6387 22.8287 22.8287 26.0535 26.0535 k = 0.0000 0.3364-0.0000 ( 836 PWs) bands (ev): 4.6259 4.6259 5.4287 5.4287 5.6959 5.6959 5.9855 5.9855 5.9924 5.9924 6.1929 6.1929 10.0160 10.0160 10.5643 10.5643 11.2203 11.2203 11.3134 11.3134 11.8152 11.8152 13.3869 13.3869 22.7847 22.7847 22.9749 22.9749 26.1035 26.1035 k = 0.0000 0.3455-0.0000 ( 844 PWs) bands (ev): 4.6986 4.6986 5.4337 5.4337 5.7207 5.7207 5.9828 5.9828 6.0103 6.0103 6.1938 6.1938 9.9266 9.9266 10.5614 10.5614 11.2033 11.2033 11.2974 11.2974 11.8127 11.8127 13.2832 13.2832 22.9333 22.9333 23.1236 23.1236 26.1543 26.1543 k = 0.0000 0.3545-0.0000 ( 844 PWs) bands (ev): 4.7676 4.7676 5.4387 5.4387 5.7441 5.7441 5.9803 5.9803 6.0356 6.0356 6.1949 6.1949 9.8303 9.8303 10.5587 10.5587 11.1872 11.1872 11.2822 11.2822 11.8107 11.8107 13.1892 13.1892 23.0843 23.0843 23.2749 23.2749 26.2060 26.2060 k = 0.0000 0.3636-0.0000 ( 844 PWs) bands (ev): 4.8322 4.8322 5.4434 5.4434 5.7649 5.7649 5.9778 5.9778 6.0698 6.0698 6.1960 6.1960 9.7274 9.7274 10.5562 10.5562 11.1719 11.1719 11.2678 11.2678 11.8089 11.8089 13.1045 13.1045 23.2378 23.2378 23.4285 23.4285 26.2585 26.2585 k = 0.0000 0.3727-0.0000 ( 852 PWs) bands (ev): 4.8916 4.8916 5.4479 5.4479 5.7821 5.7821 5.9753 5.9753 6.1143 6.1143 6.1970 6.1970 9.6182 9.6182 10.5537 10.5537 11.1572 11.1572 11.2538 11.2538 11.8071 11.8071 13.0287 13.0287 23.3935 23.3935 23.5845 23.5845 26.3115 26.3115 k = 0.0000 0.3818-0.0000 ( 852 PWs) bands (ev): 4.9457 4.9457 5.4521 5.4521 5.7960 5.7960 5.9731 5.9731 6.1694 6.1694 6.1980 6.1980 9.5035 9.5035 10.5513 10.5513 11.1437 11.1437 11.2409 11.2409 11.8054 11.8054 12.9614 12.9614 23.5515 23.5515 23.7427 23.7427 26.3648 26.3648 k = 0.0000 0.3909-0.0000 ( 852 PWs) bands (ev): 4.9940 4.9940 5.4561 5.4561 5.8066 5.8066 5.9709 5.9709 6.1991 6.1991 6.2347 6.2347 9.3841 9.3841 10.5491 10.5491 11.1310 11.1310 11.2289 11.2289 11.8039 11.8039 12.9020 12.9020 23.7116 23.7116 23.9031 23.9031 26.4181 26.4181 k = 0.0000 0.4000-0.0000 ( 852 PWs) bands (ev): 5.0367 5.0367 5.4598 5.4598 5.8146 5.8146 5.9689 5.9689 6.2000 6.2000 6.3096 6.3096 9.2606 9.2606 10.5470 10.5470 11.1194 11.1194 11.2178 11.2178 11.8024 11.8024 12.8500 12.8500 23.8736 23.8736 24.0654 24.0654 26.4711 26.4711 k = 0.0000 0.4091-0.0000 ( 852 PWs) bands (ev): 5.0740 5.0740 5.4632 5.4632 5.8206 5.8206 5.9671 5.9671 6.2010 6.2010 6.3927 6.3927 9.1340 9.1340 10.5451 10.5451 11.1086 11.1086 11.2075 11.2075 11.8011 11.8011 12.8048 12.8048 24.0374 24.0374 24.2296 24.2296 26.5235 26.5235 k = 0.0000 0.4182-0.0000 ( 852 PWs) bands (ev): 5.1061 5.1061 5.4663 5.4663 5.8251 5.8251 5.9654 5.9654 6.2018 6.2018 6.4830 6.4830 9.0051 9.0051 10.5433 10.5433 11.0989 11.0989 11.1981 11.1981 11.7999 11.7999 12.7657 12.7657 24.2027 24.2027 24.3953 24.3953 26.5746 26.5746 k = 0.0000 0.4273-0.0000 ( 844 PWs) bands (ev): 5.1335 5.1335 5.4691 5.4691 5.8285 5.8285 5.9639 5.9639 6.2026 6.2026 6.5791 6.5791 8.8753 8.8753 10.5417 10.5417 11.0903 11.0903 11.1899 11.1899 11.7988 11.7988 12.7326 12.7326 24.3692 24.3692 24.5623 24.5623 26.6239 26.6239 k = 0.0000 0.4364-0.0000 ( 844 PWs) bands (ev): 5.1565 5.1565 5.4716 5.4716 5.8311 5.8311 5.9625 5.9625 6.2034 6.2034 6.6795 6.6795 8.7452 8.7452 10.5403 10.5403 11.0826 11.0826 11.1824 11.1824 11.7979 11.7979 12.7043 12.7043 24.5363 24.5363 24.7301 24.7301 26.6706 26.6706 k = 0.0000 0.4455-0.0000 ( 848 PWs) bands (ev): 5.1756 5.1756 5.4738 5.4738 5.8330 5.8330 5.9613 5.9613 6.2039 6.2039 6.7828 6.7828 8.6167 8.6167 10.5391 10.5391 11.0758 11.0758 11.1759 11.1759 11.7968 11.7968 12.6806 12.6806 24.7033 24.7033 24.8980 24.8980 26.7141 26.7141 k = 0.0000 0.4545-0.0000 ( 848 PWs) bands (ev): 5.1912 5.1912 5.4756 5.4756 5.8344 5.8344 5.9603 5.9603 6.2044 6.2044 6.8867 6.8867 8.4915 8.4915 10.5380 10.5380 11.0701 11.0701 11.1704 11.1704 11.7961 11.7961 12.6612 12.6612 24.8689 24.8689 25.0648 25.0648 26.7532 26.7532 k = 0.0000 0.4636-0.0000 ( 848 PWs) bands (ev): 5.2035 5.2035 5.4772 5.4772 5.8355 5.8355 5.9594 5.9594 6.2049 6.2049 6.9885 6.9885 8.3724 8.3724 10.5371 10.5371 11.0654 11.0654 11.1658 11.1658 11.7955 11.7955 12.6458 12.6458 25.0309 25.0309 25.2285 25.2285 26.7773 26.7774 k = 0.0000 0.4727-0.0000 ( 848 PWs) bands (ev): 5.2128 5.2128 5.4784 5.4784 5.8362 5.8362 5.9588 5.9588 6.2053 6.2053 7.0837 7.0837 8.2638 8.2638 10.5364 10.5364 11.0617 11.0617 11.1623 11.1623 11.7950 11.7950 12.6341 12.6341 25.1849 25.1849 25.3850 25.3850 26.6086 26.6086 k = 0.0000 0.4818-0.0000 ( 848 PWs) bands (ev): 5.2193 5.2193 5.4792 5.4792 5.8368 5.8368 5.9583 5.9583 6.2055 6.2055 7.1655 7.1655 8.1725 8.1725 10.5359 10.5359 11.0591 11.0591 11.1598 11.1598 11.7947 11.7947 12.6259 12.6259 25.3224 25.3224 25.5259 25.5259 26.4607 26.4607 k = 0.0000 0.4909-0.0000 ( 852 PWs) bands (ev): 5.2230 5.2230 5.4797 5.4797 5.8370 5.8370 5.9580 5.9580 6.2057 6.2057 7.2231 7.2231 8.1092 8.1092 10.5356 10.5356 11.0575 11.0575 11.1582 11.1582 11.7945 11.7945 12.6208 12.6208 25.4256 25.4256 25.6331 25.6331 26.3512 26.3513 k = 0.0000 0.5000-0.0000 ( 852 PWs) bands (ev): 5.2243 5.2243 5.4799 5.4799 5.8371 5.8371 5.9579 5.9579 6.2057 6.2057 7.2443 7.2443 8.0860 8.0860 10.5355 10.5355 11.0570 11.0570 11.1577 11.1577 11.7944 11.7944 12.6192 12.6192 25.4659 25.4659 25.6756 25.6756 26.3088 26.3088 k = 0.0000 0.5000-0.0000 ( 852 PWs) bands (ev): 5.2243 5.2243 5.4799 5.4799 5.8371 5.8371 5.9579 5.9579 6.2057 6.2057 7.2443 7.2443 8.0860 8.0860 10.5355 10.5355 11.0570 11.0570 11.1577 11.1577 11.7944 11.7944 12.6192 12.6192 25.4659 25.4659 25.6756 25.6756 26.3088 26.3088 k = 0.0091 0.5000-0.0000 ( 852 PWs) bands (ev): 5.2249 5.2249 5.4800 5.4800 5.8365 5.8365 5.9573 5.9573 6.2053 6.2053 7.2469 7.2469 8.0862 8.0862 10.5361 10.5361 11.0573 11.0573 11.1580 11.1580 11.7943 11.7943 12.6192 12.6192 25.4412 25.4412 25.6533 25.6533 26.2911 26.2911 k = 0.0182 0.5000-0.0000 ( 848 PWs) bands (ev): 5.2268 5.2268 5.4804 5.4804 5.8347 5.8347 5.9554 5.9554 6.2043 6.2043 7.2549 7.2549 8.0869 8.0869 10.5378 10.5378 11.0584 11.0584 11.1590 11.1590 11.7941 11.7941 12.6194 12.6194 25.3500 25.3500 25.6185 25.6185 26.2219 26.2219 k = 0.0273 0.5000-0.0000 ( 844 PWs) bands (ev): 5.2298 5.2298 5.4811 5.4811 5.8316 5.8316 5.9525 5.9525 6.2026 6.2026 7.2682 7.2682 8.0879 8.0879 10.5405 10.5405 11.0603 11.0603 11.1608 11.1608 11.7937 11.7937 12.6196 12.6196 25.1891 25.1891 25.6024 25.6024 26.0898 26.0898 k = 0.0364 0.5000-0.0000 ( 840 PWs) bands (ev): 5.2340 5.2340 5.4821 5.4821 5.8272 5.8272 5.9486 5.9486 6.2001 6.2001 7.2864 7.2864 8.0893 8.0893 10.5444 10.5444 11.0628 11.0628 11.1631 11.1631 11.7929 11.7929 12.6198 12.6198 24.9854 24.9854 25.5996 25.5996 25.9117 25.9117 k = 0.0455 0.5000-0.0000 ( 838 PWs) bands (ev): 5.2392 5.2392 5.4834 5.4834 5.8214 5.8214 5.9441 5.9441 6.1969 6.1969 7.3096 7.3096 8.0912 8.0912 10.5493 10.5493 11.0660 11.0660 11.1662 11.1662 11.7917 11.7917 12.6201 12.6201 24.7587 24.7587 25.6007 25.6007 25.7070 25.7070 k = 0.0545 0.5000-0.0000 ( 838 PWs) bands (ev): 5.2454 5.2454 5.4849 5.4849 5.8143 5.8143 5.9391 5.9391 6.1930 6.1930 7.3375 7.3375 8.0936 8.0936 10.5553 10.5553 11.0699 11.0699 11.1699 11.1699 11.7902 11.7902 12.6204 12.6204 24.5190 24.5190 25.4706 25.4706 25.6185 25.6185 k = 0.0636 0.5000-0.0000 ( 838 PWs) bands (ev): 5.2525 5.2525 5.4868 5.4868 5.8058 5.8058 5.9340 5.9340 6.1886 6.1886 7.3697 7.3697 8.0964 8.0964 10.5622 10.5622 11.0744 11.0744 11.1742 11.1742 11.7884 11.7884 12.6206 12.6206 24.2719 24.2719 25.2331 25.2331 25.6281 25.6281 k = 0.0727 0.5000-0.0000 ( 838 PWs) bands (ev): 5.2602 5.2602 5.4890 5.4890 5.7961 5.7961 5.9289 5.9289 6.1837 6.1837 7.4062 7.4062 8.0998 8.0998 10.5702 10.5702 11.0795 11.0795 11.1792 11.1792 11.7864 11.7864 12.6209 12.6209 24.0204 24.0204 24.9857 24.9857 25.6420 25.6420 k = 0.0818 0.5000-0.0000 ( 838 PWs) bands (ev): 5.2686 5.2686 5.4915 5.4915 5.7854 5.7854 5.9239 5.9239 6.1783 6.1783 7.4467 7.4467 8.1036 8.1036 10.5792 10.5792 11.0852 11.0852 11.1849 11.1849 11.7842 11.7842 12.6213 12.6213 23.7666 23.7666 24.7328 24.7328 25.6587 25.6587 k = 0.0909 0.5000-0.0000 ( 842 PWs) bands (ev): 5.2774 5.2774 5.4942 5.4942 5.7739 5.7739 5.9191 5.9191 6.1724 6.1724 7.4909 7.4909 8.1081 8.1081 10.5890 10.5890 11.0913 11.0913 11.1911 11.1911 11.7816 11.7816 12.6216 12.6216 23.5119 23.5119 24.4765 24.4765 25.6776 25.6776 k = 0.1000 0.5000-0.0000 ( 842 PWs) bands (ev): 5.2864 5.2864 5.4971 5.4971 5.7622 5.7622 5.9146 5.9146 6.1661 6.1661 7.5387 7.5387 8.1131 8.1131 10.5998 10.5998 11.0980 11.0980 11.1980 11.1980 11.7789 11.7789 12.6219 12.6219 23.2571 23.2571 24.2183 24.2183 25.6988 25.6988 k = 0.1091 0.5000-0.0000 ( 842 PWs) bands (ev): 5.2954 5.2954 5.4999 5.4999 5.7508 5.7508 5.9103 5.9103 6.1594 6.1594 7.5899 7.5899 8.1188 8.1188 10.6115 10.6115 11.1052 11.1052 11.2056 11.2056 11.7759 11.7759 12.6222 12.6222 23.0030 23.0030 23.9593 23.9593 25.7221 25.7221 k = 0.1182 0.5000-0.0000 ( 842 PWs) bands (ev): 5.3042 5.3042 5.5025 5.5025 5.7401 5.7401 5.9062 5.9062 6.1525 6.1525 7.6442 7.6442 8.1252 8.1252 10.6241 10.6241 11.1128 11.1128 11.2137 11.2137 11.7728 11.7728 12.6225 12.6225 22.7501 22.7501 23.7002 23.7002 25.7475 25.7475 k = 0.1273 0.5000-0.0000 ( 842 PWs) bands (ev): 5.3127 5.3127 5.5043 5.5043 5.7311 5.7311 5.9023 5.9023 6.1452 6.1452 7.7016 7.7016 8.1323 8.1323 10.6374 10.6374 11.1208 11.1208 11.2225 11.2225 11.7695 11.7695 12.6227 12.6227 22.4987 22.4987 23.4417 23.4417 25.7749 25.7749 k = 0.1364 0.5000-0.0000 ( 842 PWs) bands (ev): 5.3206 5.3206 5.5047 5.5047 5.7244 5.7244 5.8986 5.8986 6.1377 6.1377 7.7619 7.7619 8.1403 8.1403 10.6515 10.6515 11.1291 11.1291 11.2318 11.2318 11.7660 11.7660 12.6229 12.6229 22.2493 22.2493 23.1842 23.1842 25.8042 25.8042 k = 0.1455 0.5000-0.0000 ( 842 PWs) bands (ev): 5.3278 5.3278 5.5032 5.5032 5.7210 5.7210 5.8949 5.8949 6.1299 6.1299 7.8250 7.8250 8.1490 8.1490 10.6663 10.6663 11.1377 11.1377 11.2416 11.2416 11.7624 11.7624 12.6230 12.6230 22.0020 22.0020 22.9280 22.9280 25.8356 25.8356 k = 0.1545 0.5000-0.0000 ( 844 PWs) bands (ev): 5.3343 5.3343 5.4993 5.4993 5.7212 5.7212 5.8914 5.8914 6.1220 6.1220 7.8907 7.8907 8.1587 8.1587 10.6816 10.6816 11.1465 11.1465 11.2520 11.2520 11.7586 11.7586 12.6230 12.6230 21.7571 21.7571 22.6735 22.6735 25.8689 25.8689 k = 0.1636 0.5000-0.0000 ( 844 PWs) bands (ev): 5.3399 5.3399 5.4928 5.4928 5.7255 5.7255 5.8879 5.8879 6.1141 6.1141 7.9589 7.9589 8.1695 8.1695 10.6976 10.6976 11.1556 11.1556 11.2628 11.2628 11.7547 11.7547 12.6229 12.6229 21.5149 21.5149 22.4209 22.4209 25.9040 25.9040 k = 0.1727 0.5000-0.0000 ( 844 PWs) bands (ev): 5.3447 5.3447 5.4838 5.4838 5.7338 5.7338 5.8844 5.8844 6.1061 6.1061 8.0294 8.0294 8.1814 8.1814 10.7142 10.7142 11.1648 11.1648 11.2741 11.2741 11.7506 11.7506 12.6226 12.6226 21.2754 21.2754 22.1704 22.1704 25.9410 25.9410 k = 0.1818 0.5000-0.0000 ( 844 PWs) bands (ev): 5.3487 5.3487 5.4726 5.4726 5.7456 5.7456 5.8810 5.8810 6.0982 6.0982 8.1018 8.1018 8.1949 8.1949 10.7313 10.7313 11.1741 11.1741 11.2858 11.2858 11.7465 11.7465 12.6222 12.6222 21.0389 21.0389 21.9223 21.9223 25.9799 25.9799 k = 0.1909 0.5000-0.0000 ( 844 PWs) bands (ev): 5.3519 5.3519 5.4598 5.4598 5.7602 5.7602 5.8777 5.8777 6.0905 6.0905 8.1732 8.1732 8.2128 8.2128 10.7488 10.7488 11.1836 11.1836 11.2980 11.2980 11.7421 11.7421 12.6216 12.6216 20.8055 20.8055 21.6767 21.6767 26.0205 26.0205 k = 0.2000 0.5000-0.0000 ( 844 PWs) bands (ev): 5.3542 5.3542 5.4459 5.4459 5.7770 5.7770 5.8744 5.8744 6.0831 6.0831 8.2158 8.2158 8.2630 8.2630 10.7667 10.7667 11.1931 11.1931 11.3104 11.3104 11.7378 11.7378 12.6207 12.6207 20.5753 20.5753 21.4338 21.4338 26.0628 26.0628 k = 0.2091 0.5000-0.0000 ( 844 PWs) bands (ev): 5.3556 5.3556 5.4314 5.4314 5.7953 5.7953 5.8713 5.8713 6.0762 6.0762 8.2349 8.2349 8.3399 8.3399 10.7850 10.7850 11.2025 11.2025 11.3230 11.3230 11.7335 11.7335 12.6196 12.6196 20.3486 20.3486 21.1936 21.1936 26.1068 26.1068 k = 0.2182 0.5000-0.0000 ( 848 PWs) bands (ev): 5.3557 5.3557 5.4170 5.4170 5.8143 5.8143 5.8684 5.8684 6.0700 6.0700 8.2530 8.2530 8.4212 8.4212 10.8036 10.8036 11.2120 11.2120 11.3358 11.3358 11.7291 11.7291 12.6180 12.6180 20.1254 20.1254 20.9565 20.9565 26.1524 26.1524 k = 0.2273 0.5000-0.0000 ( 848 PWs) bands (ev): 5.3541 5.3541 5.4035 5.4035 5.8326 5.8326 5.8664 5.8664 6.0649 6.0649 8.2720 8.2720 8.5050 8.5050 10.8223 10.8223 11.2215 11.2215 11.3489 11.3489 11.7247 11.7247 12.6162 12.6162 19.9059 19.9059 20.7224 20.7224 26.1996 26.1996 k = 0.2364 0.5000-0.0000 ( 850 PWs) bands (ev): 5.3498 5.3498 5.3922 5.3922 5.8469 5.8469 5.8679 5.8679 6.0614 6.0614 8.2921 8.2921 8.5908 8.5908 10.8412 10.8412 11.2307 11.2307 11.3621 11.3621 11.7203 11.7203 12.6140 12.6140 19.6902 19.6902 20.4916 20.4916 26.2483 26.2483 k = 0.2455 0.5000-0.0000 ( 854 PWs) bands (ev): 5.3416 5.3416 5.3843 5.3843 5.8511 5.8511 5.8780 5.8780 6.0599 6.0599 8.3135 8.3135 8.6785 8.6785 10.8599 10.8599 11.2400 11.2400 11.3754 11.3754 11.7159 11.7159 12.6113 12.6113 19.4786 19.4786 20.2642 20.2642 26.2983 26.2983 k = 0.2545 0.5000-0.0000 ( 854 PWs) bands (ev): 5.3301 5.3301 5.3797 5.3797 5.8497 5.8497 5.8914 5.8914 6.0614 6.0614 8.3363 8.3363 8.7681 8.7681 10.8790 10.8790 11.2491 11.2491 11.3887 11.3887 11.7116 11.7116 12.6082 12.6082 19.2711 19.2711 20.0405 20.0405 26.3497 26.3497 k = 0.2636 0.5000-0.0000 ( 854 PWs) bands (ev): 5.3165 5.3165 5.3772 5.3772 5.8470 5.8470 5.9030 5.9030 6.0665 6.0665 8.3605 8.3605 8.8593 8.8593 10.8981 10.8981 11.2580 11.2580 11.4020 11.4020 11.7073 11.7073 12.6045 12.6045 19.0679 19.0679 19.8205 19.8205 26.4024 26.4024 k = 0.2727 0.5000-0.0000 ( 846 PWs) bands (ev): 5.3020 5.3020 5.3756 5.3756 5.8439 5.8439 5.9112 5.9112 6.0756 6.0756 8.3861 8.3861 8.9522 8.9522 10.9172 10.9172 11.2670 11.2670 11.4152 11.4152 11.7034 11.7034 12.6003 12.6003 18.8693 18.8693 19.6044 19.6044 26.4561 26.4561 k = 0.2818 0.5000-0.0000 ( 842 PWs) bands (ev): 5.2872 5.2872 5.3746 5.3746 5.8407 5.8407 5.9158 5.9158 6.0885 6.0885 8.4131 8.4131 9.0464 9.0464 10.9361 10.9361 11.2756 11.2756 11.4284 11.4284 11.6993 11.6993 12.5954 12.5954 18.6753 18.6753 19.3925 19.3925 26.5109 26.5109 k = 0.2909 0.5000-0.0000 ( 844 PWs) bands (ev): 5.2723 5.2723 5.3737 5.3737 5.8373 5.8373 5.9172 5.9172 6.1045 6.1045 8.4412 8.4412 9.1419 9.1419 10.9549 10.9549 11.2838 11.2838 11.4413 11.4413 11.6952 11.6952 12.5896 12.5896 18.4861 18.4861 19.1848 19.1848 26.5665 26.5665 k = 0.3000 0.5000-0.0000 ( 844 PWs) bands (ev): 5.2578 5.2578 5.3729 5.3729 5.8339 5.8339 5.9162 5.9162 6.1226 6.1226 8.4707 8.4707 9.2386 9.2386 10.9735 10.9735 11.2919 11.2919 11.4540 11.4540 11.6912 11.6912 12.5830 12.5830 18.3021 18.3021 18.9817 18.9817 26.6229 26.6229 k = 0.3091 0.5000-0.0000 ( 838 PWs) bands (ev): 5.2436 5.2436 5.3722 5.3722 5.8305 5.8305 5.9136 5.9136 6.1422 6.1422 8.5014 8.5014 9.3363 9.3363 10.9922 10.9922 11.2998 11.2998 11.4664 11.4664 11.6875 11.6875 12.5755 12.5755 18.1233 18.1233 18.7834 18.7834 26.6799 26.6799 k = 0.3182 0.5000-0.0000 ( 838 PWs) bands (ev): 5.2298 5.2298 5.3714 5.3714 5.8271 5.8271 5.9099 5.9099 6.1623 6.1623 8.5331 8.5331 9.4348 9.4348 11.0104 11.0104 11.3073 11.3073 11.4784 11.4784 11.6838 11.6838 12.5668 12.5668 17.9499 17.9499 18.5901 18.5901 26.7373 26.7373 k = 0.3273 0.5000-0.0000 ( 842 PWs) bands (ev): 5.2165 5.2165 5.3706 5.3706 5.8237 5.8237 5.9055 5.9055 6.1827 6.1827 8.5658 8.5658 9.5339 9.5339 11.0283 11.0283 11.3144 11.3144 11.4900 11.4900 11.6801 11.6801 12.5570 12.5570 17.7823 17.7823 18.4022 18.4022 26.7949 26.7949 k = 0.3364 0.5000-0.0000 ( 844 PWs) bands (ev): 5.2036 5.2036 5.3698 5.3698 5.8203 5.8203 5.9008 5.9008 6.2027 6.2027 8.5992 8.5992 9.6333 9.6333 11.0459 11.0459 11.3212 11.3212 11.5012 11.5012 11.6767 11.6767 12.5459 12.5459 17.6207 17.6207 18.2198 18.2198 26.8526 26.8526 k = 0.3455 0.5000-0.0000 ( 844 PWs) bands (ev): 5.1914 5.1914 5.3691 5.3691 5.8170 5.8170 5.8959 5.8959 6.2224 6.2224 8.6333 8.6333 9.7329 9.7329 11.0635 11.0635 11.3276 11.3276 11.5120 11.5120 11.6734 11.6734 12.5335 12.5335 17.4653 17.4653 18.0435 18.0435 26.9100 26.9100 k = 0.3545 0.5000-0.0000 ( 844 PWs) bands (ev): 5.1798 5.1798 5.3683 5.3683 5.8137 5.8137 5.8910 5.8910 6.2413 6.2413 8.6678 8.6678 9.8321 9.8321 11.0808 11.0808 11.3337 11.3337 11.5222 11.5222 11.6704 11.6704 12.5196 12.5196 17.3163 17.3163 17.8734 17.8734 26.9670 26.9670 k = 0.3636 0.5000-0.0000 ( 844 PWs) bands (ev): 5.1687 5.1687 5.3676 5.3676 5.8105 5.8105 5.8861 5.8861 6.2595 6.2595 8.7024 8.7024 9.9308 9.9308 11.0979 11.0979 11.3393 11.3393 11.5319 11.5319 11.6676 11.6676 12.5041 12.5041 17.1742 17.1742 17.7100 17.7100 27.0232 27.0232 k = 0.3727 0.5000-0.0000 ( 852 PWs) bands (ev): 5.1581 5.1581 5.3667 5.3667 5.8073 5.8073 5.8814 5.8814 6.2767 6.2767 8.7368 8.7368 10.0285 10.0285 11.1150 11.1150 11.3444 11.3444 11.5408 11.5408 11.6648 11.6648 12.4869 12.4869 17.0391 17.0391 17.5538 17.5538 27.0784 27.0784 k = 0.3818 0.5000-0.0000 ( 848 PWs) bands (ev): 5.1484 5.1484 5.3660 5.3660 5.8043 5.8043 5.8771 5.8771 6.2929 6.2929 8.7711 8.7711 10.1246 10.1246 11.1321 11.1321 11.3493 11.3493 11.5493 11.5493 11.6626 11.6626 12.4680 12.4680 16.9115 16.9115 17.4051 17.4051 27.1322 27.1322 k = 0.3909 0.5000-0.0000 ( 848 PWs) bands (ev): 5.1393 5.1393 5.3653 5.3653 5.8014 5.8014 5.8729 5.8729 6.3079 6.3079 8.8046 8.8046 10.2186 10.2186 11.1494 11.1494 11.3537 11.3537 11.5571 11.5571 11.6605 11.6605 12.4472 12.4472 16.7915 16.7915 17.2645 17.2645 27.1844 27.1844 k = 0.4000 0.5000-0.0000 ( 852 PWs) bands (ev): 5.1308 5.1308 5.3645 5.3645 5.7986 5.7986 5.8690 5.8690 6.3219 6.3219 8.8370 8.8370 10.3098 10.3098 11.1670 11.1670 11.3577 11.3577 11.5641 11.5641 11.6585 11.6585 12.4246 12.4246 16.6795 16.6795 17.1324 17.1324 27.2344 27.2344 k = 0.4091 0.5000-0.0000 ( 852 PWs) bands (ev): 5.1231 5.1231 5.3638 5.3638 5.7960 5.7960 5.8655 5.8655 6.3347 6.3347 8.8682 8.8682 10.3973 10.3973 11.1854 11.1854 11.3613 11.3613 11.5703 11.5703 11.6568 11.6568 12.4003 12.4003 16.5759 16.5759 17.0093 17.0093 27.2821 27.2821 k = 0.4182 0.5000-0.0000 ( 856 PWs) bands (ev): 5.1161 5.1161 5.3632 5.3632 5.7935 5.7935 5.8623 5.8623 6.3462 6.3462 8.8978 8.8978 10.4802 10.4802 11.2044 11.2044 11.3645 11.3645 11.5757 11.5757 11.6554 11.6554 12.3741 12.3741 16.4810 16.4810 16.8958 16.8958 27.3269 27.3269 k = 0.4273 0.5000-0.0000 ( 852 PWs) bands (ev): 5.1098 5.1098 5.3627 5.3627 5.7913 5.7913 5.8594 5.8594 6.3566 6.3566 8.9254 8.9254 10.5574 10.5574 11.2249 11.2249 11.3673 11.3673 11.5803 11.5803 11.6542 11.6542 12.3469 12.3469 16.3950 16.3950 16.7924 16.7924 27.3684 27.3684 k = 0.4364 0.5000-0.0000 ( 852 PWs) bands (ev): 5.1043 5.1043 5.3622 5.3622 5.7892 5.7892 5.8569 5.8569 6.3658 6.3658 8.9507 8.9507 10.6277 10.6277 11.2467 11.2467 11.3698 11.3698 11.5840 11.5840 11.6532 11.6532 12.3186 12.3186 16.3184 16.3184 16.6997 16.6997 27.4063 27.4063 k = 0.4455 0.5000-0.0000 ( 852 PWs) bands (ev): 5.0994 5.0994 5.3617 5.3617 5.7874 5.7874 5.8547 5.8547 6.3737 6.3737 8.9734 8.9734 10.6899 10.6899 11.2700 11.2700 11.3719 11.3719 11.5869 11.5869 11.6524 11.6524 12.2899 12.2899 16.2512 16.2512 16.6181 16.6181 27.4401 27.4401 k = 0.4545 0.5000-0.0000 ( 852 PWs) bands (ev): 5.0953 5.0953 5.3613 5.3613 5.7858 5.7858 5.8528 5.8528 6.3805 6.3805 8.9932 8.9932 10.7432 10.7432 11.2943 11.2943 11.3737 11.3737 11.5888 11.5888 11.6516 11.6516 12.2618 12.2618 16.1940 16.1940 16.5482 16.5482 27.4695 27.4695 k = 0.4636 0.5000-0.0000 ( 852 PWs) bands (ev): 5.0920 5.0920 5.3610 5.3610 5.7845 5.7845 5.8513 5.8513 6.3859 6.3859 9.0097 9.0097 10.7866 10.7866 11.3186 11.3186 11.3754 11.3754 11.5899 11.5899 11.6510 11.6510 12.2355 12.2355 16.1468 16.1468 16.4903 16.4903 27.4941 27.4941 k = 0.4727 0.5000-0.0000 ( 852 PWs) bands (ev): 5.0894 5.0894 5.3607 5.3607 5.7835 5.7835 5.8502 5.8502 6.3902 6.3902 9.0229 9.0229 10.8201 10.8201 11.3410 11.3410 11.3772 11.3772 11.5902 11.5902 11.6505 11.6505 12.2124 12.2124 16.1098 16.1098 16.4448 16.4448 27.5135 27.5135 k = 0.4818 0.5000-0.0000 ( 852 PWs) bands (ev): 5.0875 5.0875 5.3606 5.3606 5.7827 5.7827 5.8493 5.8493 6.3933 6.3933 9.0324 9.0324 10.8436 10.8436 11.3585 11.3585 11.3798 11.3798 11.5901 11.5901 11.6500 11.6500 12.1942 12.1942 16.0833 16.0833 16.4122 16.4122 27.5276 27.5276 k = 0.4909 0.5000-0.0000 ( 844 PWs) bands (ev): 5.0865 5.0865 5.3605 5.3605 5.7825 5.7825 5.8490 5.8490 6.3951 6.3951 9.0383 9.0383 10.8576 10.8576 11.3677 11.3677 11.3841 11.3841 11.5900 11.5900 11.6500 11.6500 12.1824 12.1824 16.0674 16.0674 16.3925 16.3925 27.5362 27.5362 k = 0.5000 0.5000-0.0000 ( 840 PWs) bands (ev): 5.0861 5.0861 5.3605 5.3605 5.7823 5.7823 5.8489 5.8489 6.3958 6.3958 9.0402 9.0402 10.8622 10.8622 11.3699 11.3699 11.3866 11.3866 11.5899 11.5899 11.6500 11.6500 12.1786 12.1786 16.0621 16.0621 16.3859 16.3859 27.5390 27.5390 k = 0.5000 0.5000-0.0000 ( 840 PWs) bands (ev): 5.0861 5.0861 5.3605 5.3605 5.7823 5.7823 5.8489 5.8489 6.3958 6.3958 9.0402 9.0402 10.8622 10.8622 11.3699 11.3699 11.3866 11.3866 11.5899 11.5899 11.6500 11.6500 12.1786 12.1786 16.0621 16.0621 16.3859 16.3859 27.5390 27.5390 k = 0.4935 0.4935-0.0000 ( 848 PWs) bands (ev): 5.0864 5.0864 5.3605 5.3605 5.7824 5.7824 5.8489 5.8489 6.3951 6.3951 9.0382 9.0382 10.8575 10.8575 11.3679 11.3679 11.3837 11.3837 11.5898 11.5898 11.6499 11.6499 12.1825 12.1825 16.0674 16.0674 16.3927 16.3927 27.5361 27.5361 k = 0.4870 0.4870-0.0000 ( 852 PWs) bands (ev): 5.0876 5.0876 5.3606 5.3606 5.7828 5.7828 5.8494 5.8494 6.3931 6.3931 9.0322 9.0322 10.8434 10.8434 11.3622 11.3622 11.3753 11.3753 11.5903 11.5903 11.6501 11.6501 12.1947 12.1947 16.0821 16.0821 16.4141 16.4141 27.5272 27.5272 k = 0.4805 0.4805-0.0000 ( 852 PWs) bands (ev): 5.0895 5.0895 5.3608 5.3608 5.7836 5.7836 5.8503 5.8503 6.3900 6.3900 9.0219 9.0219 10.8202 10.8202 11.3533 11.3533 11.3623 11.3623 11.5909 11.5909 11.6505 11.6505 12.2149 12.2149 16.1028 16.1028 16.4530 16.4530 27.5120 27.5120 k = 0.4740 0.4740-0.0000 ( 852 PWs) bands (ev): 5.0921 5.0921 5.3610 5.3610 5.7846 5.7846 5.8514 5.8514 6.3857 6.3857 9.0072 9.0072 10.7882 10.7882 11.3417 11.3417 11.3460 11.3460 11.5914 11.5914 11.6508 11.6508 12.2424 12.2424 16.1253 16.1253 16.5125 16.5125 27.4899 27.4899 k = 0.4675 0.4675-0.0000 ( 852 PWs) bands (ev): 5.0955 5.0955 5.3613 5.3613 5.7860 5.7860 5.8530 5.8530 6.3802 6.3802 8.9875 8.9875 10.7482 10.7482 11.3254 11.3254 11.3304 11.3304 11.5915 11.5915 11.6509 11.6509 12.2765 12.2765 16.1462 16.1462 16.5946 16.5946 27.4603 27.4603 k = 0.4610 0.4610-0.0000 ( 856 PWs) bands (ev): 5.0995 5.0995 5.3617 5.3617 5.7875 5.7875 5.8547 5.8547 6.3736 6.3736 8.9622 8.9622 10.7015 10.7015 11.3048 11.3048 11.3166 11.3166 11.5911 11.5911 11.6508 11.6508 12.3165 12.3165 16.1642 16.1642 16.6992 16.6992 27.4224 27.4224 k = 0.4545 0.4545-0.0000 ( 856 PWs) bands (ev): 5.1042 5.1042 5.3621 5.3621 5.7894 5.7894 5.8569 5.8569 6.3658 6.3658 8.9309 8.9309 10.6497 10.6497 11.2828 11.2828 11.3030 11.3030 11.5901 11.5901 11.6507 11.6507 12.3619 12.3619 16.1794 16.1794 16.8246 16.8246 27.3753 27.3753 k = 0.4481 0.4481-0.0000 ( 856 PWs) bands (ev): 5.1096 5.1096 5.3626 5.3626 5.7916 5.7916 5.8593 5.8593 6.3569 6.3569 8.8928 8.8928 10.5947 10.5947 11.2601 11.2601 11.2898 11.2898 11.5885 11.5885 11.6506 11.6506 12.4122 12.4122 16.1927 16.1927 16.9686 16.9686 27.3183 27.3183 k = 0.4416 0.4416-0.0000 ( 852 PWs) bands (ev): 5.1157 5.1157 5.3632 5.3632 5.7941 5.7941 5.8621 5.8621 6.3470 6.3470 8.8474 8.8474 10.5387 10.5387 11.2370 11.2370 11.2770 11.2770 11.5861 11.5861 11.6505 11.6505 12.4669 12.4669 16.2048 16.2048 17.1289 17.1289 27.2509 27.2509 k = 0.4351 0.4351-0.0000 ( 852 PWs) bands (ev): 5.1222 5.1222 5.3637 5.3637 5.7968 5.7968 5.8652 5.8652 6.3360 6.3360 8.7938 8.7938 10.4836 10.4836 11.2137 11.2137 11.2647 11.2647 11.5830 11.5830 11.6506 11.6506 12.5256 12.5256 16.2161 16.2161 17.3037 17.3037 27.1728 27.1728 k = 0.4286 0.4286-0.0000 ( 846 PWs) bands (ev): 5.1292 5.1292 5.3643 5.3643 5.7997 5.7997 5.8686 5.8686 6.3242 6.3242 8.7319 8.7319 10.4312 10.4312 11.1906 11.1906 11.2529 11.2529 11.5792 11.5792 11.6509 11.6509 12.5881 12.5881 16.2272 16.2272 17.4914 17.4914 27.0840 27.0840 k = 0.4221 0.4221-0.0000 ( 850 PWs) bands (ev): 5.1366 5.1366 5.3649 5.3649 5.8028 5.8028 5.8721 5.8721 6.3114 6.3114 8.6612 8.6612 10.3830 10.3830 11.1677 11.1677 11.2414 11.2414 11.5745 11.5745 11.6514 11.6514 12.6539 12.6539 16.2383 16.2383 17.6903 17.6903 26.9848 26.9848 k = 0.4156 0.4156-0.0000 ( 850 PWs) bands (ev): 5.1443 5.1443 5.3655 5.3655 5.8062 5.8062 5.8759 5.8759 6.2977 6.2977 8.5819 8.5819 10.3401 10.3401 11.1452 11.1452 11.2302 11.2302 11.5692 11.5692 11.6522 11.6522 12.7230 12.7230 16.2498 16.2498 17.8995 17.8995 26.8759 26.8759 k = 0.4091 0.4091-0.0000 ( 850 PWs) bands (ev): 5.1523 5.1523 5.3661 5.3661 5.8097 5.8097 5.8799 5.8799 6.2834 6.2834 8.4944 8.4944 10.3031 10.3031 11.1231 11.1231 11.2192 11.2192 11.5633 11.5633 11.6533 11.6533 12.7952 12.7952 16.2618 16.2618 18.1178 18.1178 26.7581 26.7581 k = 0.4026 0.4026-0.0000 ( 850 PWs) bands (ev): 5.1604 5.1604 5.3668 5.3668 5.8134 5.8134 5.8841 5.8841 6.2683 6.2683 8.3993 8.3993 10.2723 10.2723 11.1016 11.1016 11.2083 11.2083 11.5570 11.5570 11.6547 11.6547 12.8703 12.8703 16.2744 16.2744 18.3445 18.3445 26.6324 26.6324 k = 0.3961 0.3961-0.0000 ( 850 PWs) bands (ev): 5.1685 5.1685 5.3675 5.3675 5.8173 5.8173 5.8884 5.8884 6.2526 6.2526 8.2973 8.2973 10.2477 10.2477 11.0807 11.0807 11.1977 11.1977 11.5502 11.5502 11.6563 11.6563 12.9483 12.9483 16.2877 16.2877 18.5787 18.5787 26.4999 26.4999 k = 0.3896 0.3896-0.0000 ( 850 PWs) bands (ev): 5.1765 5.1765 5.3683 5.3683 5.8214 5.8214 5.8927 5.8927 6.2364 6.2364 8.1894 8.1894 10.2289 10.2289 11.0604 11.0604 11.1871 11.1871 11.5431 11.5431 11.6582 11.6582 13.0289 13.0289 16.3018 16.3018 18.8199 18.8199 26.3614 26.3614 k = 0.3831 0.3831-0.0000 ( 842 PWs) bands (ev): 5.1842 5.1842 5.3693 5.3693 5.8256 5.8256 5.8971 5.8971 6.2199 6.2199 8.0766 8.0766 10.2160 10.2160 11.0408 11.0408 11.1767 11.1767 11.5359 11.5359 11.6604 11.6604 13.1123 13.1123 16.3170 16.3170 19.0676 19.0676 26.2180 26.2180 k = 0.3766 0.3766-0.0000 ( 840 PWs) bands (ev): 5.1914 5.1914 5.3705 5.3705 5.8300 5.8300 5.9013 5.9013 6.2029 6.2029 7.9600 7.9600 10.2079 10.2079 11.0218 11.0218 11.1665 11.1665 11.5284 11.5284 11.6627 11.6627 13.1981 13.1981 16.3330 16.3330 19.3211 19.3211 26.0705 26.0705 k = 0.3701 0.3701-0.0000 ( 840 PWs) bands (ev): 5.1978 5.1978 5.3718 5.3718 5.8344 5.8344 5.9054 5.9054 6.1858 6.1858 7.8404 7.8404 10.2045 10.2045 11.0035 11.0035 11.1564 11.1564 11.5208 11.5208 11.6653 11.6653 13.2863 13.2863 16.3501 16.3501 19.5802 19.5802 25.9197 25.9197 k = 0.3636 0.3636-0.0000 ( 844 PWs) bands (ev): 5.2031 5.2031 5.3736 5.3736 5.8389 5.8389 5.9090 5.9090 6.1687 6.1687 7.7187 7.7187 10.2051 10.2051 10.9858 10.9858 11.1463 11.1463 11.5131 11.5131 11.6680 11.6680 13.3770 13.3770 16.3684 16.3684 19.8443 19.8443 25.7664 25.7664 k = 0.3571 0.3571-0.0000 ( 844 PWs) bands (ev): 5.2071 5.2071 5.3758 5.3758 5.8436 5.8436 5.9122 5.9122 6.1517 6.1517 7.5960 7.5960 10.2095 10.2095 10.9688 10.9688 11.1366 11.1366 11.5056 11.5056 11.6710 11.6710 13.4701 13.4701 16.3878 16.3878 20.1133 20.1133 25.6110 25.6110 k = 0.3506 0.3506-0.0000 ( 844 PWs) bands (ev): 5.2095 5.2095 5.3786 5.3786 5.8484 5.8484 5.9147 5.9147 6.1352 6.1352 7.4730 7.4730 10.2171 10.2171 10.9524 10.9524 11.1272 11.1272 11.4982 11.4982 11.6741 11.6741 13.5654 13.5654 16.4085 16.4085 20.3868 20.3868 25.4541 25.4541 k = 0.3442 0.3442-0.0000 ( 848 PWs) bands (ev): 5.2098 5.2098 5.3819 5.3819 5.8531 5.8531 5.9160 5.9160 6.1193 6.1193 7.3506 7.3506 10.2276 10.2276 10.9365 10.9365 11.1181 11.1181 11.4910 11.4910 11.6773 11.6773 13.6629 13.6629 16.4305 16.4305 20.6647 20.6647 25.2962 25.2962 k = 0.3377 0.3377-0.0000 ( 848 PWs) bands (ev): 5.2077 5.2077 5.3860 5.3860 5.8580 5.8580 5.9159 5.9159 6.1045 6.1045 7.2295 7.2295 10.2406 10.2406 10.9214 10.9214 11.1095 11.1095 11.4842 11.4842 11.6808 11.6808 13.7627 13.7627 16.4540 16.4540 20.9466 20.9466 25.1377 25.1377 k = 0.3312 0.3312-0.0000 ( 848 PWs) bands (ev): 5.2031 5.2031 5.3906 5.3906 5.8629 5.8629 5.9140 5.9140 6.0912 6.0912 7.1105 7.1105 10.2558 10.2558 10.9068 10.9068 11.1015 11.1015 11.4778 11.4778 11.6844 11.6844 13.8647 13.8647 16.4789 16.4789 21.2324 21.2324 24.9789 24.9789 k = 0.3247 0.3247-0.0000 ( 848 PWs) bands (ev): 5.1954 5.1954 5.3958 5.3958 5.8678 5.8678 5.9097 5.9097 6.0798 6.0798 6.9945 6.9945 10.2729 10.2729 10.8929 10.8929 11.0941 11.0941 11.4717 11.4717 11.6881 11.6881 13.9688 13.9688 16.5054 16.5054 21.5218 21.5218 24.8201 24.8201 k = 0.3182 0.3182-0.0000 ( 848 PWs) bands (ev): 5.1844 5.1844 5.4014 5.4014 5.8725 5.8725 5.9028 5.9028 6.0707 6.0707 6.8823 6.8823 10.2916 10.2916 10.8795 10.8795 11.0875 11.0875 11.4662 11.4662 11.6920 11.6920 14.0749 14.0749 16.5335 16.5335 21.8148 21.8148 24.6616 24.6616 k = 0.3117 0.3117-0.0000 ( 848 PWs) bands (ev): 5.1698 5.1698 5.4072 5.4072 5.8765 5.8765 5.8936 5.8936 6.0640 6.0640 6.7747 6.7747 10.3116 10.3116 10.8666 10.8666 11.0817 11.0817 11.4613 11.4613 11.6960 11.6960 14.1831 14.1831 16.5633 16.5633 22.1111 22.1111 24.5036 24.5036 k = 0.3052 0.3052-0.0000 ( 848 PWs) bands (ev): 5.1511 5.1511 5.4131 5.4131 5.8741 5.8741 5.8877 5.8877 6.0595 6.0595 6.6728 6.6728 10.3327 10.3327 10.8543 10.8543 11.0770 11.0770 11.4570 11.4570 11.7002 11.7002 14.2933 14.2933 16.5949 16.5949 22.4106 22.4106 24.3463 24.3463 k = 0.2987 0.2987-0.0000 ( 852 PWs) bands (ev): 5.1277 5.1277 5.4187 5.4187 5.8600 5.8600 5.8905 5.8905 6.0568 6.0568 6.5775 6.5775 10.3544 10.3544 10.8424 10.8424 11.0731 11.0731 11.4533 11.4533 11.7045 11.7045 14.4054 14.4054 16.6283 16.6283 22.7130 22.7130 24.1899 24.1899 k = 0.2922 0.2922-0.0000 ( 852 PWs) bands (ev): 5.0994 5.0994 5.4241 5.4241 5.8416 5.8416 5.8952 5.8952 6.0556 6.0556 6.4899 6.4899 10.3767 10.3767 10.8311 10.8311 11.0708 11.0708 11.4504 11.4504 11.7088 11.7088 14.5194 14.5194 16.6637 16.6637 23.0184 23.0184 24.0346 24.0346 k = 0.2857 0.2857-0.0000 ( 852 PWs) bands (ev): 5.0656 5.0656 5.4289 5.4289 5.8207 5.8207 5.9002 5.9002 6.0551 6.0551 6.4110 6.4110 10.3991 10.3991 10.8203 10.8203 11.0699 11.0699 11.4482 11.4482 11.7133 11.7133 14.6353 14.6353 16.7011 16.7011 23.3263 23.3263 23.8806 23.8806 k = 0.2792 0.2792-0.0000 ( 856 PWs) bands (ev): 5.0258 5.0258 5.4330 5.4330 5.7978 5.7978 5.9052 5.9052 6.0549 6.0549 6.3418 6.3418 10.4214 10.4214 10.8099 10.8099 11.0707 11.0707 11.4467 11.4467 11.7178 11.7178 14.7531 14.7531 16.7405 16.7405 23.6347 23.6347 23.7301 23.7301 k = 0.2727 0.2727-0.0000 ( 856 PWs) bands (ev): 4.9798 4.9798 5.4363 5.4363 5.7735 5.7735 5.9103 5.9103 6.0542 6.0542 6.2828 6.2828 10.4433 10.4433 10.8000 10.8000 11.0733 11.0733 11.4462 11.4462 11.7225 11.7225 14.8726 14.8726 16.7822 16.7822 23.5753 23.5753 23.9511 23.9511 k = 0.2662 0.2662-0.0000 ( 854 PWs) bands (ev): 4.9274 4.9274 5.4388 5.4388 5.7484 5.7484 5.9154 5.9154 6.0525 6.0525 6.2347 6.2347 10.4646 10.4646 10.7906 10.7906 11.0779 11.0779 11.4467 11.4467 11.7273 11.7273 14.9939 14.9939 16.8260 16.8260 23.4258 23.4258 24.2657 24.2657 k = 0.2597 0.2597-0.0000 ( 846 PWs) bands (ev): 4.8689 4.8689 5.4403 5.4403 5.7232 5.7232 5.9205 5.9205 6.0487 6.0487 6.1977 6.1977 10.4849 10.4849 10.7819 10.7819 11.0848 11.0848 11.4482 11.4482 11.7322 11.7322 15.1170 15.1170 16.8722 16.8722 23.2778 23.2778 24.5822 24.5822 k = 0.2532 0.2532-0.0000 ( 846 PWs) bands (ev): 4.8048 4.8048 5.4408 5.4408 5.6981 5.6981 5.9255 5.9255 6.0423 6.0423 6.1714 6.1714 10.5040 10.5040 10.7732 10.7732 11.0938 11.0938 11.4505 11.4505 11.7371 11.7371 15.2417 15.2417 16.9208 16.9208 23.1316 23.1316 24.8995 24.8995 k = 0.2468 0.2468-0.0000 ( 846 PWs) bands (ev): 4.7356 4.7356 5.4402 5.4402 5.6737 5.6737 5.9304 5.9304 6.0335 6.0335 6.1546 6.1546 10.5217 10.5217 10.7650 10.7650 11.1052 11.1052 11.4537 11.4537 11.7421 11.7421 15.3680 15.3680 16.9718 16.9718 22.9872 22.9872 25.2163 25.2163 k = 0.2403 0.2403-0.0000 ( 846 PWs) bands (ev): 4.6622 4.6622 5.4387 5.4387 5.6504 5.6504 5.9352 5.9352 6.0235 6.0235 6.1452 6.1452 10.5379 10.5379 10.7571 10.7571 11.1189 11.1189 11.4579 11.4579 11.7472 11.7472 15.4958 15.4958 17.0254 17.0254 22.8447 22.8447 25.5294 25.5294 k = 0.2338 0.2338-0.0000 ( 846 PWs) bands (ev): 4.5855 4.5855 5.4363 5.4363 5.6283 5.6283 5.9399 5.9399 6.0136 6.0136 6.1407 6.1407 10.5524 10.5524 10.7496 10.7496 11.1350 11.1350 11.4631 11.4631 11.7523 11.7523 15.6252 15.6252 17.0815 17.0815 22.7044 22.7044 25.8299 25.8299 k = 0.2273 0.2273-0.0000 ( 842 PWs) bands (ev): 4.5064 4.5064 5.4330 5.4330 5.6073 5.6073 5.9444 5.9444 6.0049 6.0049 6.1394 6.1394 10.5653 10.5653 10.7426 10.7426 11.1536 11.1536 11.4693 11.4693 11.7575 11.7575 15.7560 15.7560 17.1404 17.1404 22.5662 22.5662 26.0874 26.0874 k = 0.2208 0.2208-0.0000 ( 846 PWs) bands (ev): 4.4256 4.4256 5.4290 5.4290 5.5875 5.5875 5.9486 5.9486 5.9979 5.9979 6.1399 6.1399 10.5765 10.5765 10.7358 10.7358 11.1741 11.1741 11.4764 11.4764 11.7624 11.7624 15.8882 15.8882 17.2018 17.2018 22.4303 22.4303 26.2289 26.2289 k = 0.2143 0.2143-0.0000 ( 846 PWs) bands (ev): 4.3439 4.3439 5.4244 5.4244 5.5687 5.5687 5.9526 5.9526 5.9928 5.9928 6.1415 6.1415 10.5862 10.5862 10.7294 10.7294 11.1965 11.1965 11.4844 11.4844 11.7677 11.7677 16.0218 16.0218 17.2661 17.2661 22.2967 22.2967 26.2536 26.2536 k = 0.2078 0.2078-0.0000 ( 846 PWs) bands (ev): 4.2618 4.2618 5.4192 5.4192 5.5507 5.5507 5.9563 5.9563 5.9895 5.9895 6.1438 6.1438 10.5946 10.5946 10.7232 10.7232 11.2205 11.2205 11.4935 11.4935 11.7730 11.7730 16.1566 16.1566 17.3330 17.3330 22.1656 22.1656 26.2341 26.2341 k = 0.2013 0.2013-0.0000 ( 846 PWs) bands (ev): 4.1799 4.1799 5.4135 5.4135 5.5335 5.5335 5.9596 5.9596 5.9878 5.9878 6.1465 6.1465 10.6016 10.6016 10.7174 10.7174 11.2460 11.2460 11.5034 11.5034 11.7783 11.7783 16.2926 16.2926 17.4028 17.4028 22.0370 22.0370 26.2010 26.2010 k = 0.1948 0.1948-0.0000 ( 846 PWs) bands (ev): 4.0987 4.0987 5.4075 5.4075 5.5170 5.5170 5.9626 5.9626 5.9876 5.9876 6.1495 6.1495 10.6076 10.6076 10.7119 10.7119 11.2726 11.2726 11.5142 11.5142 11.7837 11.7837 16.4298 16.4298 17.4754 17.4754 21.9111 21.9111 26.1633 26.1633 k = 0.1883 0.1883-0.0000 ( 844 PWs) bands (ev): 4.0184 4.0184 5.4012 5.4012 5.5011 5.5011 5.9653 5.9653 5.9886 5.9886 6.1526 6.1526 10.6126 10.6126 10.7069 10.7069 11.3001 11.3001 11.5259 11.5259 11.7891 11.7891 16.5680 16.5680 17.5507 17.5507 21.7878 21.7878 26.1238 26.1238 k = 0.1818 0.1818-0.0000 ( 844 PWs) bands (ev): 3.9394 3.9394 5.3947 5.3947 5.4858 5.4858 5.9680 5.9680 5.9904 5.9904 6.1558 6.1558 10.6167 10.6167 10.7019 10.7019 11.3281 11.3281 11.5384 11.5384 11.7945 11.7945 16.7071 16.7071 17.6289 17.6289 21.6674 21.6674 26.0840 26.0840 k = 0.1753 0.1753-0.0000 ( 848 PWs) bands (ev): 3.8621 3.8621 5.3880 5.3880 5.4709 5.4709 5.9706 5.9706 5.9925 5.9925 6.1589 6.1589 10.6202 10.6202 10.6973 10.6973 11.3564 11.3564 11.5515 11.5515 11.7998 11.7998 16.8470 16.8470 17.7097 17.7097 21.5499 21.5499 26.0444 26.0444 k = 0.1688 0.1688-0.0000 ( 850 PWs) bands (ev): 3.7865 3.7865 5.3811 5.3811 5.4565 5.4565 5.9733 5.9733 5.9951 5.9951 6.1620 6.1620 10.6230 10.6230 10.6929 10.6929 11.3848 11.3848 11.5653 11.5653 11.8053 11.8053 16.9876 16.9876 17.7933 17.7933 21.4354 21.4354 26.0053 26.0053 k = 0.1623 0.1623-0.0000 ( 850 PWs) bands (ev): 3.7129 3.7129 5.3742 5.3742 5.4427 5.4427 5.9761 5.9761 5.9979 5.9979 6.1652 6.1652 10.6255 10.6255 10.6888 10.6888 11.4132 11.4132 11.5797 11.5797 11.8108 11.8108 17.1288 17.1288 17.8795 17.8795 21.3241 21.3241 25.9669 25.9669 k = 0.1558 0.1558-0.0000 ( 850 PWs) bands (ev): 3.6415 3.6415 5.3673 5.3673 5.4292 5.4292 5.9791 5.9791 6.0006 6.0006 6.1682 6.1682 10.6276 10.6276 10.6849 10.6849 11.4413 11.4413 11.5947 11.5947 11.8164 11.8164 17.2704 17.2704 17.9682 17.9682 21.2159 21.2159 25.9292 25.9292 k = 0.1494 0.1494-0.0000 ( 842 PWs) bands (ev): 3.5724 3.5724 5.3606 5.3606 5.4163 5.4163 5.9822 5.9822 6.0034 6.0034 6.1712 6.1712 10.6296 10.6296 10.6813 10.6813 11.4691 11.4691 11.6101 11.6101 11.8223 11.8223 17.4122 17.4122 18.0593 18.0593 21.1111 21.1111 25.8923 25.8923 k = 0.1429 0.1429-0.0000 ( 843 PWs) bands (ev): 3.5056 3.5056 5.3537 5.3537 5.4038 5.4038 5.9853 5.9853 6.0060 6.0060 6.1741 6.1741 10.6311 10.6311 10.6779 10.6779 11.4961 11.4961 11.6258 11.6258 11.8280 11.8280 17.5541 17.5541 18.1526 18.1526 21.0096 21.0096 25.8559 25.8559 k = 0.1364 0.1364-0.0000 ( 847 PWs) bands (ev): 3.4414 3.4414 5.3469 5.3469 5.3918 5.3918 5.9885 5.9885 6.0085 6.0085 6.1769 6.1769 10.6325 10.6325 10.6747 10.6747 11.5223 11.5223 11.6414 11.6414 11.8338 11.8338 17.6958 17.6958 18.2480 18.2480 20.9118 20.9118 25.8201 25.8201 k = 0.1299 0.1299-0.0000 ( 841 PWs) bands (ev): 3.3798 3.3798 5.3403 5.3403 5.3803 5.3803 5.9917 5.9917 6.0109 6.0109 6.1797 6.1797 10.6338 10.6338 10.6719 10.6719 11.5479 11.5479 11.6575 11.6575 11.8398 11.8398 17.8370 17.8370 18.3453 18.3453 20.8175 20.8175 25.7848 25.7848 k = 0.1234 0.1234-0.0000 ( 841 PWs) bands (ev): 3.3208 3.3208 5.3338 5.3338 5.3693 5.3693 5.9948 5.9948 6.0131 6.0131 6.1824 6.1824 10.6349 10.6349 10.6691 10.6691 11.5724 11.5724 11.6732 11.6732 11.8460 11.8460 17.9775 17.9775 18.4443 18.4443 20.7271 20.7271 25.7498 25.7498 k = 0.1169 0.1169-0.0000 ( 841 PWs) bands (ev): 3.2645 3.2645 5.3274 5.3274 5.3588 5.3588 5.9978 5.9978 6.0151 6.0151 6.1849 6.1849 10.6359 10.6359 10.6666 10.6666 11.5960 11.5960 11.6886 11.6886 11.8523 11.8523 18.1169 18.1169 18.5446 18.5446 20.6405 20.6405 25.7151 25.7151 k = 0.1104 0.1104-0.0000 ( 841 PWs) bands (ev): 3.2111 3.2111 5.3213 5.3213 5.3488 5.3488 6.0008 6.0008 6.0169 6.0169 6.1873 6.1873 10.6369 10.6369 10.6642 10.6642 11.6186 11.6186 11.7035 11.7035 11.8588 11.8588 18.2549 18.2549 18.6459 18.6459 20.5579 20.5579 25.6805 25.6805 k = 0.1039 0.1039-0.0000 ( 841 PWs) bands (ev): 3.1605 3.1605 5.3153 5.3153 5.3394 5.3394 6.0037 6.0037 6.0185 6.0185 6.1896 6.1896 10.6378 10.6378 10.6619 10.6619 11.6401 11.6401 11.7178 11.7178 11.8656 11.8656 18.3908 18.3908 18.7480 18.7480 20.4795 20.4795 25.6458 25.6458 k = 0.0974 0.0974-0.0000 ( 845 PWs) bands (ev): 3.1128 3.1128 5.3096 5.3096 5.3303 5.3303 6.0065 6.0065 6.0200 6.0200 6.1918 6.1918 10.6386 10.6386 10.6598 10.6598 11.6604 11.6604 11.7313 11.7313 11.8727 11.8727 18.5243 18.5243 18.8504 18.8504 20.4053 20.4053 25.6109 25.6109 k = 0.0909 0.0909-0.0000 ( 845 PWs) bands (ev): 3.0679 3.0679 5.3041 5.3041 5.3220 5.3220 6.0091 6.0091 6.0213 6.0213 6.1939 6.1939 10.6395 10.6395 10.6579 10.6579 11.6796 11.6796 11.7438 11.7438 11.8800 11.8800 18.6547 18.6547 18.9527 18.9527 20.3356 20.3356 25.5757 25.5757 k = 0.0844 0.0844-0.0000 ( 847 PWs) bands (ev): 3.0261 3.0261 5.2989 5.2989 5.3141 5.3141 6.0116 6.0116 6.0224 6.0224 6.1959 6.1959 10.6402 10.6402 10.6561 10.6561 11.6977 11.6977 11.7552 11.7552 11.8875 11.8875 18.7812 18.7812 19.0543 19.0543 20.2705 20.2705 25.5399 25.5399 k = 0.0779 0.0779-0.0000 ( 847 PWs) bands (ev): 2.9873 2.9873 5.2941 5.2941 5.3068 5.3068 6.0139 6.0139 6.0234 6.0234 6.1977 6.1977 10.6410 10.6410 10.6546 10.6546 11.7146 11.7146 11.7656 11.7656 11.8952 11.8952 18.9030 18.9030 19.1548 19.1548 20.2101 20.2101 25.5036 25.5036 k = 0.0714 0.0714-0.0000 ( 839 PWs) bands (ev): 2.9514 2.9514 5.2897 5.2897 5.3002 5.3002 6.0161 6.0161 6.0244 6.0244 6.1995 6.1995 10.6419 10.6419 10.6533 10.6533 11.7306 11.7306 11.7751 11.7751 11.9031 11.9031 19.0192 19.0192 19.2536 19.2536 20.1547 20.1547 25.4668 25.4668 k = 0.0649 0.0649-0.0000 ( 843 PWs) bands (ev): 2.9186 2.9186 5.2854 5.2854 5.2940 5.2940 6.0181 6.0181 6.0250 6.0250 6.2010 6.2010 10.6424 10.6424 10.6520 10.6520 11.7451 11.7451 11.7831 11.7831 11.9108 11.9108 19.1286 19.1286 19.3499 19.3499 20.1045 20.1045 25.4294 25.4294 k = 0.0584 0.0584-0.0000 ( 843 PWs) bands (ev): 2.8889 2.8889 5.2815 5.2815 5.2885 5.2885 6.0199 6.0199 6.0257 6.0257 6.2025 6.2025 10.6430 10.6430 10.6508 10.6508 11.7584 11.7584 11.7901 11.7901 11.9183 11.9183 19.2303 19.2303 19.4428 19.4428 20.0598 20.0598 25.3918 25.3918 k = 0.0519 0.0519-0.0000 ( 843 PWs) bands (ev): 2.8623 2.8623 5.2781 5.2781 5.2835 5.2835 6.0215 6.0215 6.0262 6.0262 6.2038 6.2038 10.6436 10.6436 10.6498 10.6498 11.7704 11.7704 11.7962 11.7962 11.9255 11.9255 19.3229 19.3229 19.5315 19.5315 20.0209 20.0209 25.3545 25.3545 k = 0.0455 0.0455-0.0000 ( 839 PWs) bands (ev): 2.8387 2.8387 5.2750 5.2750 5.2791 5.2791 6.0230 6.0230 6.0267 6.0267 6.2049 6.2049 10.6442 10.6442 10.6490 10.6490 11.7812 11.7812 11.8014 11.8014 11.9323 11.9323 19.4052 19.4052 19.6146 19.6146 19.9882 19.9882 25.3179 25.3179 k = 0.0390 0.0390-0.0000 ( 843 PWs) bands (ev): 2.8183 2.8183 5.2722 5.2722 5.2752 5.2752 6.0242 6.0242 6.0270 6.0270 6.2059 6.2059 10.6446 10.6446 10.6481 10.6481 11.7905 11.7905 11.8056 11.8056 11.9383 11.9383 19.4760 19.4760 19.6908 19.6908 19.9622 19.9622 25.2830 25.2830 k = 0.0325 0.0325-0.0000 ( 841 PWs) bands (ev): 2.8010 2.8010 5.2700 5.2700 5.2720 5.2720 6.0253 6.0253 6.0272 6.0272 6.2068 6.2068 10.6451 10.6451 10.6475 10.6475 11.7985 11.7985 11.8091 11.8091 11.9437 11.9437 19.5343 19.5343 19.7587 19.7587 19.9433 19.9433 25.2509 25.2509 k = 0.0260 0.0260-0.0000 ( 847 PWs) bands (ev): 2.7868 2.7868 5.2680 5.2680 5.2694 5.2694 6.0261 6.0261 6.0273 6.0273 6.2074 6.2074 10.6454 10.6454 10.6469 10.6469 11.8049 11.8049 11.8118 11.8118 11.9480 11.9480 19.5793 19.5793 19.8167 19.8167 19.9315 19.9315 25.2224 25.2224 k = 0.0195 0.0195-0.0000 ( 847 PWs) bands (ev): 2.7758 2.7758 5.2665 5.2665 5.2673 5.2673 6.0268 6.0268 6.0275 6.0275 6.2079 6.2079 10.6457 10.6457 10.6465 10.6465 11.8100 11.8100 11.8140 11.8140 11.9516 11.9516 19.6114 19.6114 19.8636 19.8636 19.9260 19.9260 25.1987 25.1988 k = 0.0130 0.0130-0.0000 ( 847 PWs) bands (ev): 2.7679 2.7679 5.2655 5.2655 5.2658 5.2658 6.0273 6.0273 6.0276 6.0276 6.2083 6.2083 10.6459 10.6459 10.6462 10.6462 11.8137 11.8137 11.8155 11.8155 11.9542 11.9542 19.6320 19.6320 19.8979 19.8979 19.9248 19.9248 25.1810 25.1810 k = 0.0065 0.0065-0.0000 ( 847 PWs) bands (ev): 2.7632 2.7632 5.2648 5.2648 5.2649 5.2649 6.0276 6.0276 6.0277 6.0277 6.2086 6.2086 10.6460 10.6460 10.6461 10.6461 11.8159 11.8159 11.8163 11.8163 11.9558 11.9558 19.6430 19.6430 19.9190 19.9190 19.9255 19.9255 25.1701 25.1762 k = 0.0000 0.0000 0.0000 ( 847 PWs) bands (ev): 2.7616 2.7616 5.2646 5.2646 5.2646 5.2646 6.0277 6.0277 6.0277 6.0277 6.2086 6.2086 10.6460 10.6460 10.6460 10.6460 11.8166 11.8166 11.8166 11.8166 11.9563 11.9563 19.6465 19.6465 19.9261 19.9261 19.9261 19.9261 25.1663 25.1663 k = 0.0000 0.0000 0.0000 ( 847 PWs) bands (ev): 2.7616 2.7616 5.2646 5.2646 5.2646 5.2646 6.0277 6.0277 6.0277 6.0277 6.2086 6.2086 10.6460 10.6460 10.6460 10.6460 11.8166 11.8166 11.8166 11.8166 11.9563 11.9563 19.6465 19.6465 19.9261 19.9261 19.9261 19.9261 25.1663 25.1663 k = 0.0053 0.0053 0.0053 ( 847 PWs) bands (ev): 2.7632 2.7632 5.2649 5.2649 5.2649 5.2649 6.0276 6.0276 6.0277 6.0277 6.2086 6.2086 10.6460 10.6460 10.6460 10.6460 11.8159 11.8159 11.8163 11.8163 11.9558 11.9558 19.6431 19.6431 19.9217 19.9217 19.9227 19.9227 25.1731 25.1732 k = 0.0106 0.0106 0.0106 ( 847 PWs) bands (ev): 2.7679 2.7679 5.2656 5.2656 5.2657 5.2657 6.0274 6.0274 6.0275 6.0275 6.2083 6.2083 10.6460 10.6460 10.6461 10.6461 11.8137 11.8137 11.8154 11.8154 11.9542 11.9542 19.6329 19.6329 19.9085 19.9085 19.9129 19.9129 25.1933 25.1939 k = 0.0160 0.0160 0.0160 ( 847 PWs) bands (ev): 2.7759 2.7759 5.2668 5.2668 5.2671 5.2671 6.0270 6.0270 6.0273 6.0273 6.2079 6.2079 10.6460 10.6460 10.6462 10.6462 11.8100 11.8100 11.8140 11.8140 11.9516 11.9516 19.6159 19.6159 19.8869 19.8869 19.8968 19.8968 25.2268 25.2283 k = 0.0213 0.0213 0.0213 ( 847 PWs) bands (ev): 2.7870 2.7870 5.2684 5.2684 5.2690 5.2690 6.0264 6.0264 6.0270 6.0270 6.2073 6.2073 10.6459 10.6459 10.6464 10.6464 11.8047 11.8047 11.8119 11.8119 11.9479 11.9479 19.5924 19.5924 19.8570 19.8570 19.8747 19.8747 25.2728 25.2732 k = 0.0266 0.0266 0.0266 ( 844 PWs) bands (ev): 2.8012 2.8012 5.2706 5.2706 5.2715 5.2715 6.0256 6.0256 6.0268 6.0268 6.2067 6.2067 10.6459 10.6459 10.6467 10.6467 11.7982 11.7982 11.8092 11.8092 11.9434 11.9434 19.5624 19.5624 19.8195 19.8195 19.8472 19.8472 25.3319 25.3350 k = 0.0319 0.0319 0.0319 ( 844 PWs) bands (ev): 2.8187 2.8187 5.2732 5.2732 5.2744 5.2744 6.0248 6.0248 6.0263 6.0263 6.2058 6.2058 10.6459 10.6459 10.6471 10.6471 11.7899 11.7899 11.8060 11.8060 11.9379 11.9379 19.5261 19.5261 19.7747 19.7747 19.8148 19.8148 25.4024 25.4054 k = 0.0372 0.0372 0.0372 ( 844 PWs) bands (ev): 2.8392 2.8392 5.2762 5.2762 5.2780 5.2780 6.0237 6.0237 6.0257 6.0257 6.2048 6.2048 10.6459 10.6459 10.6475 10.6475 11.7802 11.7802 11.8021 11.8021 11.9316 11.9316 19.4839 19.4839 19.7234 19.7234 19.7782 19.7782 25.4846 25.4846 k = 0.0426 0.0426 0.0426 ( 850 PWs) bands (ev): 2.8629 2.8629 5.2797 5.2797 5.2819 5.2819 6.0224 6.0224 6.0250 6.0250 6.2036 6.2036 10.6458 10.6458 10.6479 10.6479 11.7690 11.7690 11.7974 11.7974 11.9243 11.9243 19.4360 19.4360 19.6661 19.6661 19.7378 19.7378 25.5777 25.5778 k = 0.0479 0.0479 0.0479 ( 850 PWs) bands (ev): 2.8897 2.8897 5.2837 5.2837 5.2865 5.2865 6.0211 6.0211 6.0242 6.0242 6.2022 6.2022 10.6459 10.6459 10.6485 10.6485 11.7564 11.7564 11.7924 11.7924 11.9163 11.9163 19.3829 19.3829 19.6034 19.6034 19.6944 19.6944 25.6812 25.6812 k = 0.0532 0.0532 0.0532 ( 844 PWs) bands (ev): 2.9197 2.9197 5.2881 5.2881 5.2916 5.2916 6.0197 6.0197 6.0232 6.0232 6.2008 6.2008 10.6460 10.6460 10.6493 10.6493 11.7425 11.7425 11.7870 11.7870 11.9080 11.9080 19.3249 19.3249 19.5361 19.5361 19.6485 19.6485 25.7944 25.7946 k = 0.0585 0.0585 0.0585 ( 844 PWs) bands (ev): 2.9527 2.9527 5.2929 5.2929 5.2972 5.2972 6.0180 6.0180 6.0221 6.0221 6.1991 6.1991 10.6462 10.6462 10.6502 10.6502 11.7271 11.7271 11.7808 11.7808 11.8987 11.8987 19.2625 19.2625 19.4647 19.4647 19.6006 19.6006 25.9167 25.9167 k = 0.0638 0.0638 0.0638 ( 844 PWs) bands (ev): 2.9888 2.9888 5.2982 5.2982 5.3034 5.3034 6.0161 6.0161 6.0208 6.0208 6.1972 6.1972 10.6465 10.6465 10.6512 10.6512 11.7105 11.7105 11.7740 11.7740 11.8888 11.8888 19.1963 19.1963 19.3899 19.3899 19.5511 19.5511 26.0477 26.0477 k = 0.0691 0.0691 0.0691 ( 844 PWs) bands (ev): 3.0279 3.0279 5.3039 5.3039 5.3099 5.3099 6.0141 6.0141 6.0193 6.0193 6.1952 6.1952 10.6469 10.6469 10.6525 10.6525 11.6928 11.6928 11.7666 11.7666 11.8782 11.8782 19.1267 19.1267 19.3121 19.3121 19.5004 19.5004 26.1867 26.1867 k = 0.0745 0.0745 0.0745 ( 844 PWs) bands (ev): 3.0700 3.0700 5.3099 5.3099 5.3170 5.3170 6.0119 6.0119 6.0176 6.0176 6.1931 6.1931 10.6474 10.6474 10.6539 10.6539 11.6740 11.6740 11.7587 11.7587 11.8671 11.8671 19.0542 19.0542 19.2319 19.2319 19.4489 19.4489 26.3334 26.3334 k = 0.0798 0.0798 0.0798 ( 841 PWs) bands (ev): 3.1151 3.1151 5.3164 5.3164 5.3246 5.3246 6.0096 6.0096 6.0157 6.0157 6.1907 6.1907 10.6481 10.6481 10.6557 10.6557 11.6544 11.6544 11.7502 11.7502 11.8554 11.8554 18.9792 18.9792 19.1497 19.1497 19.3968 19.3968 26.4872 26.4872 k = 0.0851 0.0851 0.0851 ( 841 PWs) bands (ev): 3.1632 3.1632 5.3232 5.3232 5.3326 5.3326 6.0071 6.0071 6.0136 6.0136 6.1882 6.1882 10.6489 10.6489 10.6576 10.6576 11.6339 11.6339 11.7412 11.7412 11.8431 11.8431 18.9024 18.9024 19.0660 19.0660 19.3444 19.3444 26.6478 26.6478 k = 0.0904 0.0904 0.0904 ( 841 PWs) bands (ev): 3.2143 3.2143 5.3303 5.3303 5.3411 5.3411 6.0045 6.0045 6.0113 6.0113 6.1856 6.1856 10.6498 10.6498 10.6598 10.6598 11.6128 11.6128 11.7316 11.7316 11.8302 11.8302 18.8239 18.8239 18.9812 18.9812 19.2919 19.2919 26.8147 26.8147 k = 0.0957 0.0957 0.0957 ( 841 PWs) bands (ev): 3.2682 3.2682 5.3378 5.3378 5.3500 5.3500 6.0018 6.0018 6.0088 6.0088 6.1827 6.1827 10.6509 10.6509 10.6623 10.6623 11.5912 11.5912 11.7214 11.7214 11.8168 11.8168 18.7444 18.7444 18.8956 18.8956 19.2396 19.2396 26.9877 26.9877 k = 0.1011 0.1011 0.1011 ( 835 PWs) bands (ev): 3.3249 3.3249 5.3456 5.3456 5.3592 5.3592 5.9990 5.9990 6.0061 6.0061 6.1799 6.1799 10.6524 10.6524 10.6652 10.6652 11.5693 11.5693 11.7110 11.7110 11.8029 11.8029 18.6641 18.6641 18.8096 18.8096 19.1876 19.1876 27.1664 27.1664 k = 0.1064 0.1064 0.1064 ( 835 PWs) bands (ev): 3.3845 3.3845 5.3536 5.3536 5.3689 5.3689 5.9960 5.9960 6.0030 6.0030 6.1768 6.1768 10.6539 10.6539 10.6683 10.6683 11.5472 11.5472 11.6998 11.6998 11.7883 11.7883 18.5833 18.5833 18.7234 18.7234 19.1360 19.1360 27.3505 27.3505 k = 0.1117 0.1117 0.1117 ( 835 PWs) bands (ev): 3.4468 3.4468 5.3619 5.3619 5.3790 5.3790 5.9929 5.9929 5.9998 5.9998 6.1735 6.1735 10.6556 10.6556 10.6717 10.6717 11.5250 11.5250 11.6881 11.6881 11.7732 11.7732 18.5024 18.5024 18.6372 18.6372 19.0851 19.0851 27.5398 27.5398 k = 0.1170 0.1170 0.1170 ( 835 PWs) bands (ev): 3.5118 3.5118 5.3705 5.3705 5.3895 5.3895 5.9897 5.9897 5.9963 5.9963 6.1701 6.1701 10.6576 10.6576 10.6756 10.6756 11.5029 11.5029 11.6760 11.6760 11.7574 11.7574 18.4216 18.4216 18.5515 18.5515 19.0349 19.0349 27.7340 27.7340 k = 0.1223 0.1223 0.1223 ( 835 PWs) bands (ev): 3.5794 3.5794 5.3792 5.3792 5.4003 5.4003 5.9864 5.9864 5.9925 5.9925 6.1666 6.1666 10.6598 10.6598 10.6798 10.6798 11.4811 11.4811 11.6635 11.6635 11.7412 11.7412 18.3411 18.3411 18.4662 18.4662 18.9855 18.9855 27.9328 27.9328 k = 0.1277 0.1277 0.1277 ( 835 PWs) bands (ev): 3.6495 3.6495 5.3882 5.3882 5.4114 5.4114 5.9831 5.9831 5.9886 5.9886 6.1630 6.1630 10.6622 10.6622 10.6843 10.6843 11.4597 11.4597 11.6505 11.6505 11.7245 11.7245 18.2612 18.2612 18.3817 18.3817 18.9370 18.9370 28.1362 28.1362 k = 0.1330 0.1330 0.1330 ( 835 PWs) bands (ev): 3.7221 3.7221 5.3973 5.3973 5.4229 5.4229 5.9796 5.9796 5.9844 5.9844 6.1593 6.1593 10.6649 10.6649 10.6893 10.6893 11.4389 11.4389 11.6372 11.6372 11.7072 11.7072 18.1820 18.1820 18.2981 18.2981 18.8896 18.8896 28.3437 28.3437 k = 0.1383 0.1383 0.1383 ( 835 PWs) bands (ev): 3.7971 3.7971 5.4065 5.4065 5.4348 5.4348 5.9761 5.9761 5.9800 5.9800 6.1555 6.1555 10.6676 10.6676 10.6947 10.6947 11.4187 11.4187 11.6235 11.6235 11.6896 11.6896 18.1038 18.1038 18.2156 18.2156 18.8431 18.8431 28.5551 28.5551 k = 0.1436 0.1436 0.1436 ( 835 PWs) bands (ev): 3.8744 3.8744 5.4158 5.4158 5.4469 5.4469 5.9727 5.9727 5.9754 5.9754 6.1518 6.1518 10.6706 10.6706 10.7004 10.7004 11.3994 11.3994 11.6095 11.6095 11.6715 11.6715 18.0267 18.0267 18.1343 18.1343 18.7978 18.7978 28.7698 28.7698 k = 0.1489 0.1489 0.1489 ( 832 PWs) bands (ev): 3.9537 3.9537 5.4252 5.4252 5.4594 5.4594 5.9693 5.9693 5.9707 5.9707 6.1482 6.1482 10.6738 10.6738 10.7066 10.7066 11.3811 11.3811 11.5954 11.5954 11.6532 11.6532 17.9507 17.9507 18.0543 18.0543 18.7536 18.7536 28.9869 28.9869 k = 0.1543 0.1543 0.1543 ( 832 PWs) bands (ev): 4.0351 4.0351 5.4346 5.4346 5.4721 5.4721 5.9658 5.9658 5.9659 5.9659 6.1447 6.1447 10.6771 10.6771 10.7132 10.7132 11.3638 11.3638 11.5810 11.5810 11.6344 11.6344 17.8762 17.8762 17.9758 17.9758 18.7105 18.7105 29.2038 29.2038 k = 0.1596 0.1596 0.1596 ( 832 PWs) bands (ev): 4.1182 4.1182 5.4439 5.4439 5.4851 5.4851 5.9608 5.9608 5.9625 5.9625 6.1414 6.1414 10.6804 10.6804 10.7200 10.7200 11.3476 11.3476 11.5665 11.5665 11.6155 11.6155 17.8031 17.8031 17.8988 17.8988 18.6686 18.6686 29.4085 29.4085 k = 0.1649 0.1649 0.1649 ( 832 PWs) bands (ev): 4.2030 4.2030 5.4532 5.4532 5.4984 5.4984 5.9557 5.9557 5.9593 5.9593 6.1385 6.1385 10.6838 10.6838 10.7272 10.7272 11.3327 11.3327 11.5520 11.5520 11.5965 11.5965 17.7317 17.7317 17.8235 17.8235 18.6279 18.6279 29.4971 29.4971 k = 0.1702 0.1702 0.1702 ( 832 PWs) bands (ev): 4.2891 4.2891 5.4623 5.4623 5.5120 5.5120 5.9506 5.9506 5.9562 5.9562 6.1361 6.1361 10.6870 10.6870 10.7347 10.7347 11.3191 11.3191 11.5375 11.5375 11.5775 11.5775 17.6619 17.6619 17.7500 17.7500 18.5884 18.5884 29.3209 29.3209 k = 0.1755 0.1755 0.1755 ( 832 PWs) bands (ev): 4.3762 4.3762 5.4713 5.4713 5.5260 5.5260 5.9453 5.9453 5.9533 5.9533 6.1344 6.1344 10.6902 10.6902 10.7424 10.7424 11.3069 11.3069 11.5233 11.5233 11.5587 11.5587 17.5938 17.5938 17.6783 17.6783 18.5500 18.5500 29.0836 29.0836 k = 0.1809 0.1809 0.1809 ( 832 PWs) bands (ev): 4.4641 4.4641 5.4800 5.4800 5.5403 5.5403 5.9401 5.9401 5.9507 5.9507 6.1337 6.1337 10.6931 10.6931 10.7502 10.7502 11.2961 11.2961 11.5093 11.5093 11.5402 11.5402 17.5277 17.5277 17.6086 17.6086 18.5129 18.5129 28.8387 28.8387 k = 0.1862 0.1862 0.1862 ( 838 PWs) bands (ev): 4.5521 4.5521 5.4885 5.4885 5.5551 5.5551 5.9347 5.9347 5.9483 5.9483 6.1341 6.1341 10.6956 10.6956 10.7579 10.7579 11.2863 11.2863 11.4956 11.4956 11.5223 11.5223 17.4634 17.4634 17.5408 17.5408 18.4768 18.4768 28.5931 28.5931 k = 0.1915 0.1915 0.1915 ( 844 PWs) bands (ev): 4.6399 4.6399 5.4964 5.4964 5.5703 5.5703 5.9293 5.9293 5.9462 5.9462 6.1364 6.1364 10.6974 10.6974 10.7654 10.7654 11.2783 11.2783 11.4825 11.4825 11.5053 11.5053 17.4011 17.4011 17.4751 17.4751 18.4419 18.4419 28.3485 28.3485 k = 0.1968 0.1968 0.1968 ( 844 PWs) bands (ev): 4.7267 4.7267 5.5041 5.5041 5.5863 5.5863 5.9239 5.9239 5.9446 5.9446 6.1408 6.1408 10.6988 10.6988 10.7728 10.7728 11.2716 11.2716 11.4702 11.4702 11.4896 11.4896 17.3409 17.3409 17.4115 17.4115 18.4082 18.4082 28.1057 28.1057 k = 0.2021 0.2021 0.2021 ( 844 PWs) bands (ev): 4.8117 4.8117 5.5114 5.5114 5.6032 5.6032 5.9184 5.9184 5.9435 5.9435 6.1481 6.1481 10.6994 10.6994 10.7797 10.7797 11.2662 11.2662 11.4589 11.4589 11.4754 11.4754 17.2828 17.2828 17.3501 17.3501 18.3756 18.3756 27.8648 27.8648 k = 0.2074 0.2074 0.2074 ( 844 PWs) bands (ev): 4.8940 4.8940 5.5180 5.5180 5.6211 5.6211 5.9127 5.9127 5.9429 5.9429 6.1590 6.1590 10.6991 10.6991 10.7858 10.7858 11.2620 11.2620 11.4486 11.4486 11.4634 11.4634 17.2268 17.2268 17.2909 17.2909 18.3440 18.3440 27.6260 27.6260 k = 0.2128 0.2128 0.2128 ( 844 PWs) bands (ev): 4.9723 4.9723 5.5241 5.5241 5.6402 5.6402 5.9068 5.9068 5.9429 5.9429 6.1744 6.1744 10.6976 10.6976 10.7909 10.7909 11.2589 11.2589 11.4396 11.4396 11.4540 11.4540 17.1730 17.1730 17.2340 17.2340 18.3135 18.3135 27.3895 27.3895 k = 0.2181 0.2181 0.2181 ( 844 PWs) bands (ev): 5.0454 5.0454 5.5295 5.5295 5.6606 5.6606 5.9007 5.9007 5.9435 5.9435 6.1955 6.1955 10.6948 10.6948 10.7945 10.7945 11.2569 11.2569 11.4320 11.4320 11.4476 11.4476 17.1215 17.1215 17.1794 17.1794 18.2839 18.2839 27.1552 27.1552 k = 0.2234 0.2234 0.2234 ( 844 PWs) bands (ev): 5.1121 5.1121 5.5343 5.5343 5.6825 5.6825 5.8944 5.8944 5.9449 5.9449 6.2234 6.2234 10.6905 10.6905 10.7964 10.7964 11.2560 11.2560 11.4261 11.4261 11.4448 11.4448 17.0723 17.0723 17.1272 17.1272 18.2554 18.2554 26.9232 26.9232 k = 0.2287 0.2287 0.2287 ( 844 PWs) bands (ev): 5.1711 5.1711 5.5382 5.5382 5.7056 5.7056 5.8877 5.8877 5.9470 5.9470 6.2594 6.2594 10.6846 10.6846 10.7960 10.7960 11.2564 11.2564 11.4219 11.4219 11.4458 11.4458 17.0254 17.0254 17.0774 17.0774 18.2278 18.2278 26.6935 26.6935 k = 0.2340 0.2340 0.2340 ( 847 PWs) bands (ev): 5.2219 5.2219 5.5414 5.5414 5.7294 5.7294 5.8809 5.8809 5.9498 5.9498 6.3045 6.3045 10.6769 10.6769 10.7931 10.7931 11.2583 11.2583 11.4197 11.4197 11.4509 11.4509 16.9808 16.9808 17.0300 17.0300 18.2012 18.2012 26.4662 26.4662 k = 0.2394 0.2394 0.2394 ( 847 PWs) bands (ev): 5.2643 5.2643 5.5437 5.5437 5.7534 5.7534 5.8738 5.8738 5.9535 5.9535 6.3593 6.3593 10.6674 10.6674 10.7873 10.7873 11.2621 11.2621 11.4195 11.4195 11.4602 11.4602 16.9386 16.9386 16.9851 16.9851 18.1754 18.1754 26.2413 26.2413 k = 0.2447 0.2447 0.2447 ( 847 PWs) bands (ev): 5.2986 5.2986 5.5452 5.5452 5.7765 5.7765 5.8670 5.8670 5.9580 5.9580 6.4240 6.4240 10.6560 10.6560 10.7785 10.7785 11.2681 11.2681 11.4214 11.4214 11.4737 11.4737 16.8988 16.8988 16.9428 16.9428 18.1505 18.1505 26.0188 26.0188 k = 0.2500 0.2500 0.2500 ( 847 PWs) bands (ev): 5.3257 5.3257 5.5459 5.5459 5.7976 5.7976 5.8610 5.8610 5.9633 5.9633 6.4981 6.4981 10.6427 10.6427 10.7666 10.7666 11.2764 11.2764 11.4254 11.4254 11.4915 11.4915 16.8615 16.8615 16.9029 16.9029 18.1263 18.1263 25.7986 25.7986 k = 0.2553 0.2553 0.2553 ( 847 PWs) bands (ev): 5.3466 5.3466 5.5458 5.5458 5.8141 5.8141 5.8582 5.8582 5.9694 5.9694 6.5807 6.5807 10.6274 10.6274 10.7515 10.7515 11.2872 11.2872 11.4316 11.4316 11.5134 11.5134 16.8266 16.8266 16.8657 16.8657 18.1030 18.1030 25.5809 25.5809 k = 0.2606 0.2606 0.2606 ( 847 PWs) bands (ev): 5.3624 5.3624 5.5449 5.5449 5.8208 5.8208 5.8637 5.8637 5.9763 5.9763 6.6707 6.6707 10.6103 10.6103 10.7335 10.7335 11.3005 11.3005 11.4398 11.4398 11.5395 11.5395 16.7942 16.7942 16.8310 16.8310 18.0804 18.0804 25.3655 25.3655 k = 0.2660 0.2660 0.2660 ( 841 PWs) bands (ev): 5.3741 5.3741 5.5433 5.5433 5.8180 5.8180 5.8775 5.8775 5.9841 5.9841 6.7668 6.7668 10.5914 10.5914 10.7128 10.7128 11.3163 11.3163 11.4501 11.4501 11.5701 11.5701 16.7644 16.7644 16.7990 16.7990 18.0585 18.0585 25.1527 25.1527 k = 0.2713 0.2713 0.2713 ( 841 PWs) bands (ev): 5.3823 5.3823 5.5410 5.5410 5.8110 5.8110 5.8943 5.8943 5.9925 5.9925 6.8678 6.8678 10.5708 10.5708 10.6898 10.6898 11.3341 11.3341 11.4622 11.4622 11.6046 11.6046 16.7370 16.7370 16.7697 16.7697 18.0372 18.0372 24.9422 24.9422 k = 0.2766 0.2766 0.2766 ( 841 PWs) bands (ev): 5.3879 5.3879 5.5380 5.5380 5.8025 5.8025 5.9117 5.9117 6.0015 6.0015 6.9726 6.9726 10.5486 10.5486 10.6646 10.6646 11.3538 11.3538 11.4760 11.4760 11.6435 11.6435 16.7122 16.7122 16.7430 16.7430 18.0166 18.0166 24.7341 24.7341 k = 0.2819 0.2819 0.2819 ( 847 PWs) bands (ev): 5.3913 5.3913 5.5344 5.5344 5.7933 5.7933 5.9289 5.9289 6.0111 6.0111 7.0804 7.0804 10.5249 10.5249 10.6374 10.6374 11.3751 11.3751 11.4913 11.4913 11.6869 11.6869 16.6900 16.6900 16.7190 16.7190 17.9965 17.9965 24.5285 24.5285 k = 0.2872 0.2872 0.2872 ( 847 PWs) bands (ev): 5.3931 5.3931 5.5303 5.5303 5.7837 5.7837 5.9462 5.9462 6.0213 6.0213 7.1902 7.1902 10.5001 10.5001 10.6089 10.6089 11.3979 11.3979 11.5082 11.5082 11.7349 11.7349 16.6703 16.6703 16.6978 16.6978 17.9770 17.9770 24.3254 24.3254 k = 0.2926 0.2926 0.2926 ( 841 PWs) bands (ev): 5.3938 5.3938 5.5257 5.5257 5.7740 5.7740 5.9632 5.9632 6.0320 6.0320 7.3015 7.3015 10.4740 10.4740 10.5790 10.5790 11.4221 11.4221 11.5265 11.5265 11.7881 11.7881 16.6533 16.6533 16.6793 16.6793 17.9580 17.9580 24.1248 24.1248 k = 0.2979 0.2979 0.2979 ( 841 PWs) bands (ev): 5.3932 5.3932 5.5207 5.5207 5.7641 5.7641 5.9801 5.9801 6.0432 6.0432 7.4133 7.4133 10.4469 10.4469 10.5480 10.5480 11.4472 11.4472 11.5460 11.5460 11.8458 11.8458 16.6389 16.6389 16.6637 16.6637 17.9395 17.9395 23.9268 23.9268 k = 0.3032 0.3032 0.3032 ( 841 PWs) bands (ev): 5.3919 5.3919 5.5154 5.5154 5.7542 5.7542 5.9968 5.9968 6.0548 6.0548 7.5252 7.5252 10.4189 10.4189 10.5161 10.5161 11.4732 11.4732 11.5665 11.5665 11.9087 11.9087 16.6271 16.6271 16.6508 16.6508 17.9213 17.9213 23.7312 23.7312 k = 0.3085 0.3085 0.3085 ( 841 PWs) bands (ev): 5.3900 5.3900 5.5097 5.5097 5.7443 5.7443 6.0135 6.0135 6.0668 6.0668 7.6366 7.6366 10.3902 10.3902 10.4834 10.4834 11.4999 11.4999 11.5880 11.5880 11.9770 11.9770 16.6181 16.6181 16.6407 16.6407 17.9036 17.9036 23.5382 23.5382 k = 0.3138 0.3138 0.3138 ( 844 PWs) bands (ev): 5.3875 5.3875 5.5038 5.5038 5.7344 5.7344 6.0300 6.0300 6.0790 6.0790 7.7470 7.7470 10.3608 10.3608 10.4502 10.4502 11.5271 11.5271 11.6102 11.6102 12.0505 12.0505 16.6117 16.6117 16.6335 16.6335 17.8862 17.8862 23.3479 23.3479 k = 0.3191 0.3191 0.3191 ( 844 PWs) bands (ev): 5.3848 5.3848 5.4976 5.4976 5.7246 5.7246 6.0464 6.0464 6.0915 6.0915 7.8561 7.8561 10.3308 10.3308 10.4166 10.4166 11.5549 11.5549 11.6332 11.6332 12.1300 12.1300 16.6080 16.6080 16.6292 16.6292 17.8691 17.8691 23.1601 23.1601 k = 0.3245 0.3245 0.3245 ( 856 PWs) bands (ev): 5.3820 5.3820 5.4911 5.4911 5.7148 5.7148 6.0626 6.0626 6.1041 6.1041 7.9634 7.9634 10.3002 10.3002 10.3824 10.3824 11.5826 11.5826 11.6564 11.6564 12.2153 12.2153 16.6070 16.6070 16.6277 16.6277 17.8523 17.8523 22.9749 22.9749 k = 0.3298 0.3298 0.3298 ( 856 PWs) bands (ev): 5.3791 5.3791 5.4847 5.4847 5.7054 5.7054 6.0788 6.0788 6.1170 6.1170 8.0685 8.0685 10.2695 10.2695 10.3483 10.3483 11.6109 11.6109 11.6803 11.6803 12.3067 12.3067 16.6088 16.6088 16.6292 16.6292 17.8358 17.8358 22.7924 22.7924 k = 0.3351 0.3351 0.3351 ( 856 PWs) bands (ev): 5.3761 5.3761 5.4781 5.4781 5.6961 5.6961 6.0949 6.0949 6.1300 6.1300 8.1711 8.1711 10.2386 10.2386 10.3141 10.3141 11.6394 11.6394 11.7046 11.7046 12.4042 12.4042 16.6133 16.6133 16.6336 16.6336 17.8194 17.8194 22.6126 22.6126 k = 0.3404 0.3404 0.3404 ( 850 PWs) bands (ev): 5.3732 5.3732 5.4715 5.4715 5.6870 5.6870 6.1109 6.1109 6.1432 6.1432 8.2708 8.2708 10.2077 10.2077 10.2800 10.2800 11.6680 11.6680 11.7293 11.7293 12.5082 12.5082 16.6207 16.6207 16.6410 16.6410 17.8032 17.8032 22.4354 22.4354 k = 0.3457 0.3457 0.3457 ( 850 PWs) bands (ev): 5.3704 5.3704 5.4649 5.4649 5.6782 5.6782 6.1267 6.1267 6.1564 6.1564 8.3674 8.3674 10.1766 10.1766 10.2460 10.2460 11.6965 11.6965 11.7540 11.7540 12.6186 12.6186 16.6309 16.6309 16.6513 16.6513 17.7872 17.7872 22.2608 22.2608 k = 0.3511 0.3511 0.3511 ( 850 PWs) bands (ev): 5.3678 5.3678 5.4582 5.4582 5.6695 5.6695 6.1423 6.1423 6.1696 6.1696 8.4606 8.4606 10.1457 10.1457 10.2121 10.2121 11.7248 11.7248 11.7786 11.7786 12.7355 12.7355 16.6438 16.6438 16.6647 16.6647 17.7713 17.7713 22.0888 22.0888 k = 0.3564 0.3564 0.3564 ( 850 PWs) bands (ev): 5.3653 5.3653 5.4516 5.4516 5.6612 5.6612 6.1578 6.1578 6.1828 6.1828 8.5503 8.5503 10.1149 10.1149 10.1786 10.1786 11.7529 11.7529 11.8033 11.8033 12.8590 12.8590 16.6597 16.6597 16.6810 16.6810 17.7554 17.7554 21.9193 21.9193 k = 0.3617 0.3617 0.3617 ( 844 PWs) bands (ev): 5.3630 5.3630 5.4451 5.4451 5.6531 5.6531 6.1731 6.1731 6.1960 6.1960 8.6363 8.6363 10.0844 10.0844 10.1455 10.1455 11.7809 11.7809 11.8279 11.8279 12.9891 12.9891 16.6784 16.6784 16.7004 16.7004 17.7397 17.7397 21.7524 21.7524 k = 0.3670 0.3670 0.3670 ( 844 PWs) bands (ev): 5.3609 5.3609 5.4386 5.4386 5.6453 5.6453 6.1881 6.1881 6.2090 6.2090 8.7184 8.7184 10.0541 10.0541 10.1128 10.1128 11.8083 11.8083 11.8521 11.8521 13.1258 13.1258 16.7000 16.7000 16.7228 16.7228 17.7239 17.7239 21.5880 21.5880 k = 0.3723 0.3723 0.3723 ( 844 PWs) bands (ev): 5.3589 5.3589 5.4322 5.4322 5.6379 5.6379 6.2029 6.2029 6.2219 6.2219 8.7966 8.7966 10.0243 10.0243 10.0807 10.0807 11.8353 11.8353 11.8760 11.8760 13.2690 13.2690 16.7245 16.7245 16.7482 16.7482 17.7083 17.7083 21.4261 21.4261 k = 0.3777 0.3777 0.3777 ( 850 PWs) bands (ev): 5.3571 5.3571 5.4259 5.4259 5.6307 5.6307 6.2173 6.2173 6.2346 6.2346 8.8708 8.8708 9.9950 9.9950 10.0491 10.0491 11.8616 11.8616 11.8992 11.8992 13.4187 13.4187 16.7519 16.7519 16.7767 16.7767 17.6927 17.6927 21.2666 21.2666 k = 0.3830 0.3830 0.3830 ( 850 PWs) bands (ev): 5.3556 5.3556 5.4198 5.4198 5.6239 5.6239 6.2315 6.2315 6.2471 6.2471 8.9410 8.9410 9.9662 9.9662 10.0183 10.0183 11.8875 11.8875 11.9222 11.9222 13.5747 13.5747 16.7822 16.7822 16.8083 16.8083 17.6771 17.6771 21.1096 21.1096 k = 0.3883 0.3883 0.3883 ( 849 PWs) bands (ev): 5.3543 5.3543 5.4139 5.4139 5.6175 5.6175 6.2453 6.2453 6.2595 6.2595 9.0073 9.0073 9.9381 9.9381 9.9883 9.9883 11.9127 11.9127 11.9446 11.9446 13.7369 13.7369 16.8155 16.8155 16.8429 16.8429 17.6616 17.6616 20.9551 20.9551 k = 0.3936 0.3936 0.3936 ( 861 PWs) bands (ev): 5.3530 5.3530 5.4081 5.4081 5.6113 5.6113 6.2587 6.2587 6.2714 6.2714 9.0696 9.0696 9.9106 9.9106 9.9589 9.9589 11.9369 11.9369 11.9661 11.9661 13.9050 13.9050 16.8517 16.8517 16.8805 16.8805 17.6462 17.6462 20.8030 20.8030 k = 0.3989 0.3989 0.3989 ( 861 PWs) bands (ev): 5.3520 5.3520 5.4025 5.4025 5.6056 5.6056 6.2718 6.2718 6.2832 6.2832 9.1281 9.1281 9.8840 9.8840 9.9306 9.9306 11.9606 11.9606 11.9872 11.9872 14.0790 14.0790 16.8908 16.8908 16.9213 16.9213 17.6309 17.6309 20.6534 20.6534 k = 0.4043 0.4043 0.4043 ( 867 PWs) bands (ev): 5.3510 5.3510 5.3971 5.3971 5.6002 5.6002 6.2844 6.2844 6.2946 6.2946 9.1826 9.1826 9.8582 9.8582 9.9032 9.9032 11.9834 11.9834 12.0074 12.0074 14.2586 14.2586 16.9329 16.9329 16.9650 16.9650 17.6158 17.6158 20.5064 20.5064 k = 0.4096 0.4096 0.4096 ( 867 PWs) bands (ev): 5.3503 5.3503 5.3919 5.3919 5.5952 5.5952 6.2967 6.2967 6.3056 6.3056 9.2336 9.2336 9.8334 9.8334 9.8770 9.8770 12.0054 12.0054 12.0270 12.0270 14.4436 14.4436 16.9779 16.9779 17.0118 17.0118 17.6009 17.6009 20.3620 20.3620 k = 0.4149 0.4149 0.4149 ( 870 PWs) bands (ev): 5.3496 5.3496 5.3870 5.3870 5.5905 5.5905 6.3084 6.3084 6.3163 6.3163 9.2808 9.2808 9.8096 9.8096 9.8519 9.8519 12.0264 12.0264 12.0457 12.0457 14.6336 14.6336 17.0258 17.0258 17.0616 17.0616 17.5863 17.5863 20.2201 20.2202 k = 0.4202 0.4202 0.4202 ( 870 PWs) bands (ev): 5.3491 5.3491 5.3824 5.3824 5.5863 5.5863 6.3196 6.3196 6.3266 6.3266 9.3247 9.3247 9.7869 9.7869 9.8280 9.8280 12.0464 12.0464 12.0635 12.0635 14.8285 14.8285 17.0765 17.0765 17.1144 17.1144 17.5722 17.5722 20.0810 20.0810 k = 0.4255 0.4255 0.4255 ( 870 PWs) bands (ev): 5.3487 5.3487 5.3780 5.3780 5.5824 5.5824 6.3303 6.3303 6.3363 6.3363 9.3652 9.3652 9.7653 9.7653 9.8053 9.8053 12.0653 12.0653 12.0803 12.0803 15.0280 15.0280 17.1301 17.1301 17.1701 17.1701 17.5585 17.5585 19.9446 19.9446 k = 0.4309 0.4309 0.4309 ( 870 PWs) bands (ev): 5.3484 5.3484 5.3739 5.3739 5.5788 5.5788 6.3405 6.3405 6.3456 6.3456 9.4023 9.4023 9.7450 9.7450 9.7839 9.7839 12.0831 12.0831 12.0961 12.0961 15.2316 15.2316 17.1866 17.1866 17.2286 17.2286 17.5455 17.5455 19.8110 19.8110 k = 0.4362 0.4362 0.4362 ( 861 PWs) bands (ev): 5.3482 5.3482 5.3701 5.3701 5.5758 5.5758 6.3501 6.3501 6.3544 6.3544 9.4364 9.4364 9.7260 9.7260 9.7642 9.7642 12.0999 12.0999 12.1111 12.1111 15.4391 15.4391 17.2457 17.2457 17.2900 17.2900 17.5334 17.5334 19.6803 19.6803 k = 0.4415 0.4415 0.4415 ( 861 PWs) bands (ev): 5.3480 5.3480 5.3665 5.3665 5.5729 5.5729 6.3589 6.3589 6.3626 6.3626 9.4672 9.4672 9.7082 9.7082 9.7456 9.7456 12.1154 12.1154 12.1248 12.1248 15.6498 15.6498 17.3074 17.3074 17.3541 17.3541 17.5225 17.5225 19.5527 19.5527 k = 0.4468 0.4468 0.4468 ( 861 PWs) bands (ev): 5.3478 5.3478 5.3632 5.3632 5.5704 5.5704 6.3672 6.3672 6.3701 6.3701 9.4949 9.4949 9.6917 9.6917 9.7287 9.7287 12.1296 12.1296 12.1375 12.1375 15.8633 15.8633 17.3714 17.3714 17.4208 17.4208 17.5130 17.5130 19.4282 19.4282 k = 0.4521 0.4521 0.4521 ( 861 PWs) bands (ev): 5.3477 5.3477 5.3602 5.3602 5.5681 5.5681 6.3747 6.3747 6.3771 6.3771 9.5196 9.5196 9.6767 9.6767 9.7133 9.7133 12.1426 12.1426 12.1490 12.1490 16.0787 16.0787 17.4372 17.4372 17.4898 17.4898 17.5061 17.5061 19.3070 19.3070 k = 0.4574 0.4574 0.4574 ( 861 PWs) bands (ev): 5.3476 5.3476 5.3575 5.3575 5.5662 5.5662 6.3815 6.3815 6.3834 6.3834 9.5412 9.5412 9.6631 9.6631 9.6996 9.6996 12.1543 12.1543 12.1594 12.1594 16.2949 16.2949 17.4917 17.4917 17.5151 17.5151 17.5611 17.5611 19.1895 19.1895 k = 0.4628 0.4628 0.4628 ( 861 PWs) bands (ev): 5.3475 5.3475 5.3551 5.3551 5.5645 5.5645 6.3875 6.3875 6.3890 6.3890 9.5600 9.5600 9.6510 9.6510 9.6877 9.6877 12.1647 12.1647 12.1686 12.1686 16.5100 16.5100 17.4964 17.4964 17.5797 17.5797 17.6341 17.6341 19.0760 19.0760 k = 0.4681 0.4681 0.4681 ( 861 PWs) bands (ev): 5.3474 5.3474 5.3531 5.3531 5.5631 5.5631 6.3929 6.3929 6.3939 6.3939 9.5756 9.5756 9.6404 9.6404 9.6777 9.6777 12.1737 12.1737 12.1766 12.1766 16.7206 16.7206 17.5024 17.5024 17.6508 17.6508 17.7084 17.7084 18.9671 18.9671 k = 0.4734 0.4734 0.4734 ( 855 PWs) bands (ev): 5.3474 5.3474 5.3513 5.3513 5.5620 5.5620 6.3975 6.3975 6.3982 6.3982 9.5883 9.5883 9.6315 9.6315 9.6698 9.6698 12.1816 12.1816 12.1836 12.1836 16.9195 16.9195 17.5206 17.5206 17.7227 17.7227 17.7831 17.7831 18.8638 18.8638 k = 0.4787 0.4787 0.4787 ( 849 PWs) bands (ev): 5.3474 5.3474 5.3500 5.3500 5.5611 5.5611 6.4012 6.4012 6.4017 6.4017 9.5979 9.5979 9.6243 9.6243 9.6642 9.6642 12.1879 12.1879 12.1892 12.1892 17.0917 17.0917 17.5644 17.5644 17.7938 17.7938 17.8566 17.8566 18.7674 18.7674 k = 0.4840 0.4840 0.4840 ( 840 PWs) bands (ev): 5.3475 5.3475 5.3489 5.3489 5.5605 5.5605 6.4042 6.4042 6.4044 6.4044 9.6047 9.6047 9.6186 9.6186 9.6606 9.6606 12.1930 12.1930 12.1937 12.1937 17.2134 17.2134 17.6535 17.6535 17.8623 17.8623 17.9264 17.9264 18.6804 18.6804 k = 0.4894 0.4894 0.4894 ( 840 PWs) bands (ev): 5.3475 5.3475 5.3481 5.3481 5.5600 5.5600 6.4063 6.4063 6.4064 6.4064 9.6086 9.6086 9.6144 9.6144 9.6587 9.6587 12.1965 12.1965 12.1968 12.1968 17.2776 17.2776 17.7842 17.7842 17.9268 17.9268 17.9875 17.9875 18.6063 18.6063 k = 0.4947 0.4947 0.4947 ( 840 PWs) bands (ev): 5.3474 5.3474 5.3476 5.3476 5.5597 5.5597 6.4075 6.4075 6.4075 6.4075 9.6105 9.6105 9.6119 9.6119 9.6580 9.6580 12.1986 12.1986 12.1987 12.1987 17.3049 17.3049 17.8992 17.8992 17.9970 17.9970 18.0318 18.0318 18.5479 18.5479 k = 0.5000 0.5000 0.5000 ( 840 PWs) bands (ev): 5.3474 5.3474 5.3474 5.3474 5.5596 5.5596 6.4079 6.4079 6.4079 6.4079 9.6111 9.6111 9.6111 9.6111 9.6578 9.6578 12.1993 12.1993 12.1993 12.1993 17.3122 17.3122 17.9346 17.9346 18.0485 18.0485 18.0485 18.0485 18.5136 18.5136 k = 0.5000 0.5000 0.5000 ( 840 PWs) bands (ev): 5.3474 5.3474 5.3474 5.3474 5.5596 5.5596 6.4079 6.4079 6.4079 6.4079 9.6111 9.6111 9.6111 9.6111 9.6578 9.6578 12.1993 12.1993 12.1993 12.1993 17.3122 17.3122 17.9346 17.9346 18.0485 18.0485 18.0485 18.0485 18.5136 18.5136 k = 0.4935 0.5000 0.4935 ( 840 PWs) bands (ev): 5.3474 5.3474 5.3476 5.3476 5.5597 5.5597 6.4073 6.4073 6.4077 6.4077 9.6106 9.6106 9.6119 9.6119 9.6580 9.6580 12.1984 12.1984 12.1990 12.1990 17.3050 17.3050 17.9009 17.9009 17.9909 17.9909 18.0365 18.0365 18.5448 18.5448 k = 0.4870 0.5000 0.4870 ( 840 PWs) bands (ev): 5.3474 5.3474 5.3482 5.3482 5.5600 5.5600 6.4056 6.4056 6.4071 6.4071 9.6089 9.6089 9.6142 9.6142 9.6587 9.6587 12.1954 12.1954 12.1980 12.1980 17.2802 17.2802 17.7996 17.7996 17.8723 17.8723 18.0298 18.0298 18.5647 18.5647 k = 0.4805 0.5000 0.4805 ( 840 PWs) bands (ev): 5.3472 5.3472 5.3491 5.3491 5.5605 5.5605 6.4026 6.4026 6.4061 6.4061 9.6056 9.6056 9.6179 9.6179 9.6604 9.6604 12.1906 12.1906 12.1963 12.1963 17.2290 17.2290 17.6514 17.6514 17.7625 17.7625 18.0361 18.0361 18.5735 18.5735 k = 0.4740 0.5000 0.4740 ( 848 PWs) bands (ev): 5.3470 5.3470 5.3503 5.3503 5.5611 5.5611 6.3984 6.3984 6.4045 6.4045 9.6000 9.6000 9.6229 9.6229 9.6637 9.6637 12.1836 12.1836 12.1937 12.1937 17.1427 17.1427 17.4795 17.4795 17.6882 17.6882 18.0500 18.0500 18.5822 18.5822 k = 0.4675 0.5000 0.4675 ( 856 PWs) bands (ev): 5.3467 5.3467 5.3520 5.3520 5.5620 5.5620 6.3931 6.3931 6.4026 6.4026 9.5916 9.5916 9.6292 9.6292 9.6690 9.6690 12.1748 12.1748 12.1905 12.1905 17.0227 17.0227 17.2981 17.2981 17.6496 17.6496 18.0693 18.0693 18.5924 18.5924 k = 0.4610 0.5000 0.4610 ( 856 PWs) bands (ev): 5.3464 5.3464 5.3540 5.3540 5.5631 5.5631 6.3867 6.3867 6.4003 6.4003 9.5810 9.5810 9.6366 9.6366 9.6767 9.6767 12.1643 12.1643 12.1867 12.1867 16.8802 16.8802 17.1128 17.1128 17.6370 17.6370 18.0937 18.0937 18.6045 18.6045 k = 0.4545 0.5000 0.4545 ( 860 PWs) bands (ev): 5.3461 5.3461 5.3563 5.3563 5.5646 5.5646 6.3792 6.3792 6.3975 6.3975 9.5680 9.5680 9.6448 9.6448 9.6865 9.6865 12.1518 12.1518 12.1821 12.1821 16.7254 16.7254 16.9259 16.9259 17.6413 17.6413 18.1226 18.1226 18.6186 18.6186 k = 0.4481 0.5000 0.4481 ( 860 PWs) bands (ev): 5.3457 5.3457 5.3590 5.3590 5.5663 5.5663 6.3708 6.3708 6.3943 6.3943 9.5526 9.5526 9.6540 9.6540 9.6986 9.6986 12.1377 12.1377 12.1768 12.1768 16.5650 16.5650 16.7389 16.7389 17.6568 17.6568 18.1560 18.1560 18.6349 18.6349 k = 0.4416 0.5000 0.4416 ( 866 PWs) bands (ev): 5.3452 5.3452 5.3620 5.3620 5.5682 5.5682 6.3614 6.3614 6.3906 6.3906 9.5349 9.5349 9.6637 9.6637 9.7125 9.7125 12.1220 12.1220 12.1705 12.1705 16.4023 16.4023 16.5527 16.5527 17.6802 17.6802 18.1937 18.1937 18.6533 18.6533 k = 0.4351 0.5000 0.4351 ( 866 PWs) bands (ev): 5.3447 5.3447 5.3654 5.3654 5.5706 5.5706 6.3510 6.3510 6.3865 6.3865 9.5153 9.5153 9.6741 9.6741 9.7285 9.7285 12.1046 12.1046 12.1637 12.1637 16.2395 16.2395 16.3679 16.3679 17.7100 17.7100 18.2357 18.2357 18.6739 18.6739 k = 0.4286 0.5000 0.4286 ( 866 PWs) bands (ev): 5.3441 5.3441 5.3691 5.3691 5.5732 5.5732 6.3398 6.3398 6.3820 6.3820 9.4937 9.4937 9.6851 9.6851 9.7463 9.7463 12.0858 12.0858 12.1559 12.1559 16.0776 16.0776 16.1852 16.1852 17.7450 17.7450 18.2819 18.2819 18.6967 18.6967 k = 0.4221 0.5000 0.4221 ( 866 PWs) bands (ev): 5.3434 5.3434 5.3731 5.3731 5.5763 5.5763 6.3279 6.3279 6.3769 6.3769 9.4703 9.4703 9.6964 9.6964 9.7658 9.7658 12.0655 12.0655 12.1474 12.1474 15.9175 15.9175 16.0049 16.0049 17.7848 17.7848 18.3322 18.3322 18.7218 18.7218 k = 0.4156 0.5000 0.4156 ( 870 PWs) bands (ev): 5.3427 5.3427 5.3773 5.3773 5.5796 5.5796 6.3151 6.3151 6.3713 6.3713 9.4451 9.4451 9.7081 9.7081 9.7866 9.7866 12.0437 12.0437 12.1378 12.1378 15.7595 15.7595 15.8275 15.8275 17.8289 17.8289 18.3863 18.3863 18.7490 18.7490 k = 0.4091 0.5000 0.4091 ( 870 PWs) bands (ev): 5.3419 5.3419 5.3819 5.3819 5.5834 5.5834 6.3017 6.3017 6.3653 6.3653 9.4183 9.4183 9.7200 9.7200 9.8090 9.8090 12.0207 12.0207 12.1274 12.1274 15.6038 15.6038 15.6532 15.6532 17.8771 17.8771 18.4445 18.4445 18.7787 18.7787 k = 0.4026 0.5000 0.4026 ( 870 PWs) bands (ev): 5.3411 5.3411 5.3867 5.3867 5.5876 5.5876 6.2877 6.2877 6.3587 6.3587 9.3900 9.3900 9.7320 9.7320 9.8327 9.8327 11.9965 11.9965 12.1161 12.1161 15.4507 15.4507 15.4826 15.4826 17.9291 17.9291 18.5064 18.5064 18.8106 18.8106 k = 0.3961 0.5000 0.3961 ( 866 PWs) bands (ev): 5.3402 5.3402 5.3918 5.3918 5.5923 5.5923 6.2732 6.2732 6.3516 6.3516 9.3603 9.3603 9.7441 9.7441 9.8576 9.8576 11.9711 11.9711 12.1038 12.1038 15.2997 15.2997 15.3164 15.3164 17.9849 17.9849 18.5720 18.5720 18.8449 18.8449 k = 0.3896 0.5000 0.3896 ( 866 PWs) bands (ev): 5.3393 5.3393 5.3971 5.3971 5.5974 5.5974 6.2581 6.2581 6.3440 6.3440 9.3293 9.3293 9.7558 9.7558 9.8836 9.8836 11.9447 11.9447 12.0904 12.0904 15.1472 15.1472 15.1586 15.1586 18.0443 18.0443 18.6413 18.6413 18.8815 18.8815 k = 0.3831 0.5000 0.3831 ( 866 PWs) bands (ev): 5.3383 5.3383 5.4026 5.4026 5.6029 5.6029 6.2427 6.2427 6.3357 6.3357 9.2972 9.2972 9.7671 9.7671 9.9105 9.9105 11.9173 11.9173 12.0759 12.0759 14.9907 14.9907 15.0120 15.0120 18.1071 18.1071 18.7141 18.7141 18.9205 18.9205 k = 0.3766 0.5000 0.3766 ( 858 PWs) bands (ev): 5.3375 5.3375 5.4084 5.4084 5.6089 5.6089 6.2270 6.2270 6.3270 6.3270 9.2640 9.2640 9.7780 9.7780 9.9384 9.9384 11.8892 11.8892 12.0605 12.0605 14.8370 14.8370 14.8704 14.8704 18.1734 18.1734 18.7904 18.7904 18.9619 18.9619 k = 0.3701 0.5000 0.3701 ( 858 PWs) bands (ev): 5.3366 5.3366 5.4143 5.4143 5.6153 5.6153 6.2110 6.2110 6.3176 6.3176 9.2298 9.2298 9.7878 9.7878 9.9670 9.9670 11.8600 11.8600 12.0438 12.0438 14.6877 14.6877 14.7322 14.7322 18.2430 18.2430 18.8700 18.8700 19.0058 19.0058 k = 0.3636 0.5000 0.3636 ( 858 PWs) bands (ev): 5.3358 5.3358 5.4204 5.4204 5.6221 5.6221 6.1947 6.1947 6.3076 6.3076 9.1948 9.1948 9.7965 9.7965 9.9963 9.9963 11.8301 11.8301 12.0259 12.0259 14.5434 14.5434 14.5971 14.5971 18.3159 18.3159 18.9528 18.9528 19.0523 19.0523 k = 0.3571 0.5000 0.3571 ( 854 PWs) bands (ev): 5.3350 5.3350 5.4266 5.4266 5.6293 5.6293 6.1783 6.1783 6.2970 6.2970 9.1591 9.1591 9.8038 9.8038 10.0263 10.0263 11.7997 11.7997 12.0069 12.0069 14.4045 14.4045 14.4652 14.4652 18.3920 18.3920 19.0388 19.0388 19.1013 19.1013 k = 0.3506 0.5000 0.3506 ( 858 PWs) bands (ev): 5.3343 5.3343 5.4330 5.4330 5.6369 5.6369 6.1618 6.1618 6.2857 6.2857 9.1227 9.1227 9.8094 9.8094 10.0567 10.0567 11.7683 11.7683 11.9866 11.9866 14.2711 14.2711 14.3365 14.3365 18.4712 18.4712 19.1272 19.1272 19.1535 19.1535 k = 0.3442 0.5000 0.3442 ( 858 PWs) bands (ev): 5.3337 5.3337 5.4395 5.4395 5.6449 5.6449 6.1452 6.1452 6.2737 6.2737 9.0859 9.0859 9.8131 9.8131 10.0875 10.0875 11.7365 11.7365 11.9654 11.9654 14.1436 14.1436 14.2108 14.2108 18.5536 18.5536 19.2040 19.2040 19.2230 19.2230 k = 0.3377 0.5000 0.3377 ( 858 PWs) bands (ev): 5.3333 5.3333 5.4461 5.4461 5.6533 5.6533 6.1287 6.1287 6.2612 6.2612 9.0487 9.0487 9.8145 9.8145 10.1186 10.1186 11.7042 11.7042 11.9432 11.9432 14.0221 14.0221 14.0882 14.0882 18.6389 18.6389 19.2619 19.2619 19.3169 19.3169 k = 0.3312 0.5000 0.3312 ( 848 PWs) bands (ev): 5.3332 5.3332 5.4528 5.4528 5.6620 5.6620 6.1125 6.1125 6.2480 6.2480 9.0116 9.0116 9.8133 9.8133 10.1502 10.1502 11.6719 11.6719 11.9201 11.9201 13.9068 13.9068 13.9690 13.9690 18.7273 18.7273 19.3212 19.3212 19.4148 19.4148 k = 0.3247 0.5000 0.3247 ( 850 PWs) bands (ev): 5.3331 5.3331 5.4596 5.4596 5.6710 5.6710 6.0962 6.0962 6.2341 6.2341 8.9740 8.9740 9.8090 9.8090 10.1817 10.1817 11.6388 11.6388 11.8964 11.8964 13.7976 13.7976 13.8528 13.8528 18.8186 18.8186 19.3831 19.3831 19.5157 19.5157 k = 0.3182 0.5000 0.3182 ( 850 PWs) bands (ev): 5.3333 5.3333 5.4663 5.4663 5.6803 5.6803 6.0802 6.0802 6.2195 6.2195 8.9365 8.9365 9.8014 9.8014 10.2134 10.2134 11.6054 11.6054 11.8722 11.8722 13.6943 13.6943 13.7403 13.7403 18.9128 18.9128 19.4476 19.4476 19.6195 19.6195 k = 0.3117 0.5000 0.3117 ( 850 PWs) bands (ev): 5.3337 5.3337 5.4731 5.4731 5.6898 5.6898 6.0645 6.0645 6.2043 6.2043 8.8992 8.8992 9.7900 9.7900 10.2451 10.2451 11.5719 11.5719 11.8478 11.8478 13.5962 13.5962 13.6321 13.6321 19.0099 19.0099 19.5148 19.5148 19.7260 19.7260 k = 0.3052 0.5000 0.3052 ( 850 PWs) bands (ev): 5.3344 5.3344 5.4799 5.4799 5.6995 5.6995 6.0491 6.0491 6.1884 6.1884 8.8621 8.8621 9.7746 9.7746 10.2768 10.2768 11.5381 11.5381 11.8235 11.8235 13.5004 13.5004 13.5312 13.5312 19.1097 19.1097 19.5848 19.5848 19.8351 19.8351 k = 0.2987 0.5000 0.2987 ( 846 PWs) bands (ev): 5.3355 5.3355 5.4867 5.4867 5.7093 5.7093 6.0343 6.0343 6.1719 6.1719 8.8254 8.8254 9.7546 9.7546 10.3085 10.3085 11.5045 11.5045 11.7997 11.7997 13.4027 13.4027 13.4414 13.4414 19.2124 19.2124 19.6574 19.6574 19.9468 19.9468 k = 0.2922 0.5000 0.2922 ( 846 PWs) bands (ev): 5.3368 5.3368 5.4934 5.4934 5.7191 5.7191 6.0199 6.0199 6.1548 6.1548 8.7890 8.7890 9.7302 9.7302 10.3398 10.3398 11.4706 11.4706 11.7767 11.7767 13.3036 13.3036 13.3622 13.3622 19.3178 19.3178 19.7329 19.7329 20.0611 20.0611 k = 0.2857 0.5000 0.2857 ( 846 PWs) bands (ev): 5.3384 5.3384 5.5000 5.5000 5.7290 5.7290 6.0061 6.0061 6.1371 6.1371 8.7532 8.7532 9.7009 9.7009 10.3710 10.3710 11.4369 11.4369 11.7549 11.7549 13.2055 13.2055 13.2909 13.2909 19.4259 19.4259 19.8112 19.8112 20.1778 20.1778 k = 0.2792 0.5000 0.2792 ( 846 PWs) bands (ev): 5.3404 5.3404 5.5064 5.5064 5.7387 5.7387 5.9930 5.9930 6.1189 6.1189 8.7181 8.7181 9.6668 9.6668 10.4018 10.4018 11.4033 11.4033 11.7345 11.7345 13.1094 13.1094 13.2260 13.2260 19.5366 19.5366 19.8924 19.8924 20.2970 20.2970 k = 0.2727 0.5000 0.2727 ( 846 PWs) bands (ev): 5.3428 5.3428 5.5126 5.5126 5.7482 5.7482 5.9807 5.9807 6.1002 6.1002 8.6836 8.6836 9.6276 9.6276 10.4323 10.4323 11.3699 11.3699 11.7159 11.7159 13.0156 13.0156 13.1669 13.1669 19.6499 19.6499 19.9765 19.9765 20.4185 20.4185 k = 0.2662 0.5000 0.2662 ( 846 PWs) bands (ev): 5.3455 5.3455 5.5187 5.5187 5.7574 5.7574 5.9692 5.9692 6.0813 6.0813 8.6499 8.6499 9.5835 9.5835 10.4624 10.4624 11.3368 11.3368 11.6993 11.6993 12.9244 12.9244 13.1132 13.1132 19.7657 19.7657 20.0636 20.0636 20.5424 20.5424 k = 0.2597 0.5000 0.2597 ( 846 PWs) bands (ev): 5.3487 5.3487 5.5244 5.5244 5.7660 5.7660 5.9588 5.9588 6.0621 6.0621 8.6171 8.6171 9.5347 9.5347 10.4920 10.4920 11.3041 11.3041 11.6848 11.6848 12.8357 12.8357 13.0643 13.0643 19.8841 19.8841 20.1536 20.1536 20.6685 20.6685 k = 0.2532 0.5000 0.2532 ( 850 PWs) bands (ev): 5.3522 5.3522 5.5297 5.5297 5.7738 5.7738 5.9493 5.9493 6.0430 6.0430 8.5852 8.5852 9.4813 9.4813 10.5210 10.5210 11.2716 11.2716 11.6726 11.6726 12.7494 12.7494 13.0198 13.0198 20.0049 20.0049 20.2467 20.2467 20.7969 20.7969 k = 0.2468 0.5000 0.2468 ( 850 PWs) bands (ev): 5.3561 5.3561 5.5347 5.5347 5.7806 5.7806 5.9409 5.9409 6.0244 6.0244 8.5543 8.5543 9.4237 9.4237 10.5496 10.5496 11.2396 11.2396 11.6626 11.6626 12.6657 12.6657 12.9794 12.9794 20.1280 20.1280 20.3430 20.3430 20.9274 20.9274 k = 0.2403 0.5000 0.2403 ( 844 PWs) bands (ev): 5.3606 5.3606 5.5393 5.5393 5.7863 5.7863 5.9333 5.9333 6.0068 6.0068 8.5245 8.5245 9.3623 9.3623 10.5778 10.5778 11.2082 11.2082 11.6550 11.6550 12.5846 12.5846 12.9428 12.9428 20.2533 20.2533 20.4425 20.4425 21.0601 21.0601 k = 0.2338 0.5000 0.2338 ( 844 PWs) bands (ev): 5.3653 5.3653 5.5433 5.5433 5.7906 5.7906 5.9256 5.9256 5.9914 5.9914 8.4957 8.4957 9.2974 9.2974 10.6052 10.6052 11.1773 11.1773 11.6494 11.6494 12.5059 12.5059 12.9095 12.9095 20.3806 20.3806 20.5453 20.5453 21.1949 21.1949 k = 0.2273 0.5000 0.2273 ( 844 PWs) bands (ev): 5.3704 5.3704 5.5466 5.5466 5.7932 5.7932 5.9166 5.9166 5.9796 5.9796 8.4679 8.4679 9.2294 9.2294 10.6319 10.6319 11.1468 11.1468 11.6458 11.6458 12.4296 12.4296 12.8793 12.8793 20.5098 20.5098 20.6518 20.6518 21.3317 21.3317 k = 0.2208 0.5000 0.2208 ( 844 PWs) bands (ev): 5.3758 5.3758 5.5493 5.5493 5.7941 5.7941 5.9054 5.9054 5.9727 5.9727 8.4413 8.4413 9.1588 9.1588 10.6578 10.6578 11.1169 11.1169 11.6439 11.6439 12.3557 12.3557 12.8518 12.8518 20.6404 20.6404 20.7623 20.7623 21.4706 21.4706 k = 0.2143 0.5000 0.2143 ( 852 PWs) bands (ev): 5.3814 5.3814 5.5512 5.5512 5.7931 5.7931 5.8921 5.8921 5.9706 5.9706 8.4157 8.4157 9.0861 9.0861 10.6830 10.6830 11.0875 11.0875 11.6433 11.6433 12.2841 12.2841 12.8269 12.8269 20.7718 20.7718 20.8772 20.8772 21.6114 21.6114 k = 0.2078 0.5000 0.2078 ( 852 PWs) bands (ev): 5.3874 5.3874 5.5523 5.5523 5.7903 5.7903 5.8781 5.8781 5.9727 5.9727 8.3913 8.3913 9.0115 9.0115 10.7074 10.7074 11.0589 11.0589 11.6445 11.6445 12.2150 12.2150 12.8042 12.8042 20.9032 20.9032 20.9975 20.9975 21.7541 21.7541 k = 0.2013 0.5000 0.2013 ( 844 PWs) bands (ev): 5.3938 5.3938 5.5526 5.5526 5.7852 5.7852 5.8651 5.8651 5.9777 5.9777 8.3682 8.3682 8.9356 8.9356 10.7308 10.7308 11.0313 11.0313 11.6469 11.6469 12.1486 12.1486 12.7837 12.7837 21.0341 21.0341 21.1237 21.1237 21.8987 21.8987 k = 0.1948 0.5000 0.1948 ( 844 PWs) bands (ev): 5.4000 5.4000 5.5519 5.5519 5.7775 5.7775 5.8543 5.8543 5.9844 5.9844 8.3460 8.3460 8.8587 8.8587 10.7532 10.7532 11.0043 11.0043 11.6500 11.6500 12.0845 12.0845 12.7651 12.7651 21.1639 21.1639 21.2562 21.2562 22.0451 22.0451 k = 0.1883 0.5000 0.1883 ( 844 PWs) bands (ev): 5.4062 5.4062 5.5504 5.5504 5.7672 5.7672 5.8465 5.8465 5.9926 5.9926 8.3250 8.3250 8.7811 8.7811 10.7744 10.7744 10.9783 10.9783 11.6537 11.6537 12.0229 12.0229 12.7482 12.7482 21.2933 21.2933 21.3944 21.3944 22.1932 22.1932 k = 0.1818 0.5000 0.1818 ( 844 PWs) bands (ev): 5.4122 5.4122 5.5479 5.5479 5.7550 5.7550 5.8417 5.8417 6.0016 6.0016 8.3051 8.3051 8.7032 8.7032 10.7939 10.7939 10.9538 10.9538 11.6576 11.6576 11.9642 11.9642 12.7329 12.7329 21.4232 21.4232 21.5373 21.5373 22.3430 22.3430 k = 0.1753 0.5000 0.1753 ( 852 PWs) bands (ev): 5.4175 5.4175 5.5446 5.5446 5.7418 5.7418 5.8393 5.8393 6.0112 6.0112 8.2862 8.2862 8.6253 8.6253 10.8108 10.8108 10.9316 10.9316 11.6610 11.6610 11.9082 11.9082 12.7191 12.7191 21.5543 21.5543 21.6841 21.6841 22.4945 22.4945 k = 0.1688 0.5000 0.1688 ( 852 PWs) bands (ev): 5.4223 5.4223 5.5407 5.5407 5.7288 5.7288 5.8387 5.8387 6.0213 6.0213 8.2684 8.2684 8.5476 8.5476 10.8232 10.8232 10.9140 10.9140 11.6632 11.6632 11.8563 11.8563 12.7066 12.7066 21.6872 21.6872 21.8341 21.8341 22.6475 22.6475 k = 0.1623 0.5000 0.1623 ( 852 PWs) bands (ev): 5.4258 5.4258 5.5362 5.5362 5.7167 5.7167 5.8396 5.8396 6.0317 6.0317 8.2515 8.2515 8.4706 8.4706 10.8268 10.8268 10.9050 10.9050 11.6624 11.6624 11.8100 11.8100 12.6954 12.6954 21.8224 21.8224 21.9870 21.9870 22.8020 22.8020 k = 0.1558 0.5000 0.1558 ( 852 PWs) bands (ev): 5.4278 5.4278 5.5315 5.5315 5.7064 5.7064 5.8416 5.8416 6.0423 6.0423 8.2354 8.2354 8.3944 8.3944 10.8190 10.8190 10.9074 10.9074 11.6548 11.6548 11.7727 11.7727 12.6853 12.6853 21.9599 21.9599 22.1424 22.1424 22.9578 22.9578 k = 0.1494 0.5000 0.1494 ( 848 PWs) bands (ev): 5.4275 5.4275 5.5270 5.5270 5.6982 5.6982 5.8444 5.8444 6.0529 6.0529 8.2197 8.2197 8.3199 8.3199 10.8038 10.8038 10.9173 10.9173 11.6356 11.6356 11.7493 11.7493 12.6763 12.6763 22.1000 22.1000 22.3001 22.3001 23.1150 23.1150 k = 0.1429 0.5000 0.1429 ( 840 PWs) bands (ev): 5.4248 5.4248 5.5230 5.5230 5.6924 5.6924 5.8479 5.8479 6.0635 6.0635 8.2018 8.2018 8.2495 8.2495 10.7854 10.7854 10.9303 10.9303 11.6050 11.6050 11.7396 11.7396 12.6685 12.6685 22.2426 22.2426 22.4599 22.4599 23.2733 23.2733 k = 0.1364 0.5000 0.1364 ( 840 PWs) bands (ev): 5.4193 5.4193 5.5195 5.5195 5.6893 5.6893 5.8519 5.8519 6.0740 6.0740 8.1607 8.1607 8.2046 8.2046 10.7660 10.7660 10.9441 10.9441 11.5683 11.5683 11.7378 11.7378 12.6614 12.6614 22.3879 22.3879 22.6217 22.6217 23.4327 23.4327 k = 0.1299 0.5000 0.1299 ( 842 PWs) bands (ev): 5.4111 5.4111 5.5166 5.5166 5.6889 5.6889 5.8564 5.8564 6.0843 6.0843 8.0937 8.0937 8.1878 8.1878 10.7465 10.7465 10.9579 10.9579 11.5299 11.5299 11.7396 11.7396 12.6550 12.6550 22.5358 22.5358 22.7854 22.7854 23.5930 23.5930 k = 0.1234 0.5000 0.1234 ( 842 PWs) bands (ev): 5.4008 5.4008 5.5142 5.5142 5.6911 5.6911 5.8612 5.8612 6.0944 6.0944 8.0247 8.0247 8.1756 8.1756 10.7274 10.7274 10.9713 10.9713 11.4917 11.4917 11.7432 11.7432 12.6495 12.6495 22.6864 22.6864 22.9507 22.9507 23.7543 23.7543 k = 0.1169 0.5000 0.1169 ( 842 PWs) bands (ev): 5.3889 5.3889 5.5119 5.5119 5.6956 5.6956 5.8663 5.8663 6.1043 6.1043 7.9568 7.9568 8.1648 8.1648 10.7089 10.7089 10.9841 10.9841 11.4547 11.4547 11.7475 11.7475 12.6446 12.6446 22.8395 22.8395 23.1176 23.1176 23.9163 23.9163 k = 0.1104 0.5000 0.1104 ( 842 PWs) bands (ev): 5.3760 5.3760 5.5096 5.5096 5.7021 5.7021 5.8716 5.8716 6.1140 6.1140 7.8905 7.8905 8.1551 8.1551 10.6911 10.6911 10.9962 10.9962 11.4191 11.4191 11.7523 11.7523 12.6403 12.6403 22.9952 22.9952 23.2857 23.2857 24.0790 24.0790 k = 0.1039 0.5000 0.1039 ( 842 PWs) bands (ev): 5.3623 5.3623 5.5073 5.5073 5.7104 5.7104 5.8771 5.8771 6.1233 6.1233 7.8263 7.8263 8.1463 8.1463 10.6741 10.6741 11.0075 11.0075 11.3855 11.3855 11.7569 11.7569 12.6366 12.6366 23.1534 23.1534 23.4550 23.4550 24.2424 24.2424 k = 0.0974 0.5000 0.0974 ( 842 PWs) bands (ev): 5.3485 5.3485 5.5048 5.5048 5.7200 5.7200 5.8828 5.8828 6.1322 6.1322 7.7643 7.7643 8.1383 8.1383 10.6579 10.6579 11.0180 11.0180 11.3540 11.3540 11.7614 11.7614 12.6335 12.6335 23.3139 23.3139 23.6250 23.6250 24.4063 24.4063 k = 0.0909 0.5000 0.0909 ( 842 PWs) bands (ev): 5.3346 5.3346 5.5023 5.5023 5.7306 5.7306 5.8887 5.8887 6.1408 6.1408 7.7047 7.7047 8.1309 8.1309 10.6426 10.6426 11.0276 11.0276 11.3245 11.3245 11.7657 11.7657 12.6308 12.6308 23.4768 23.4768 23.7955 23.7955 24.5704 24.5704 k = 0.0844 0.5000 0.0844 ( 842 PWs) bands (ev): 5.3211 5.3211 5.4998 5.4998 5.7419 5.7419 5.8946 5.8946 6.1489 6.1489 7.6477 7.6477 8.1242 8.1242 10.6282 10.6282 11.0362 11.0362 11.2973 11.2973 11.7698 11.7698 12.6285 12.6285 23.6418 23.6418 23.9662 23.9662 24.7346 24.7346 k = 0.0779 0.5000 0.0779 ( 842 PWs) bands (ev): 5.3080 5.3080 5.4972 5.4972 5.7535 5.7535 5.9007 5.9007 6.1567 6.1567 7.5935 7.5935 8.1182 8.1182 10.6148 10.6148 11.0438 11.0438 11.2723 11.2723 11.7736 11.7736 12.6266 12.6266 23.8087 23.8087 24.1364 24.1364 24.8984 24.8984 k = 0.0714 0.5000 0.0714 ( 842 PWs) bands (ev): 5.2956 5.2956 5.4948 5.4948 5.7651 5.7651 5.9069 5.9069 6.1639 6.1639 7.5423 7.5423 8.1128 8.1128 10.6024 10.6024 11.0503 11.0503 11.2498 11.2498 11.7770 11.7770 12.6251 12.6251 23.9773 23.9773 24.3057 24.3057 25.0613 25.0613 k = 0.0649 0.5000 0.0649 ( 842 PWs) bands (ev): 5.2839 5.2839 5.4924 5.4924 5.7764 5.7764 5.9131 5.9131 6.1707 6.1707 7.4943 7.4943 8.1079 8.1079 10.5909 10.5909 11.0557 11.0557 11.2298 11.2298 11.7802 11.7802 12.6238 12.6238 24.1472 24.1472 24.4733 24.4733 25.2224 25.2224 k = 0.0584 0.5000 0.0584 ( 838 PWs) bands (ev): 5.2731 5.2731 5.4902 5.4902 5.7873 5.7873 5.9195 5.9195 6.1770 6.1770 7.4497 7.4497 8.1036 8.1036 10.5806 10.5806 11.0598 11.0598 11.2125 11.2125 11.7832 11.7832 12.6227 12.6227 24.3180 24.3180 24.6382 24.6382 25.3810 25.3810 k = 0.0519 0.5000 0.0519 ( 838 PWs) bands (ev): 5.2632 5.2632 5.4882 5.4882 5.7974 5.7974 5.9257 5.9257 6.1828 6.1828 7.4088 7.4088 8.0998 8.0998 10.5713 10.5713 11.0625 11.0625 11.1978 11.1978 11.7857 11.7857 12.6219 12.6219 24.4887 24.4887 24.7993 24.7993 25.5355 25.5355 k = 0.0455 0.5000 0.0455 ( 838 PWs) bands (ev): 5.2543 5.2543 5.4863 5.4863 5.8066 5.8066 5.9319 5.9319 6.1880 6.1880 7.3719 7.3719 8.0965 8.0965 10.5630 10.5630 11.0639 11.0639 11.1859 11.1859 11.7879 11.7879 12.6213 12.6213 24.6585 24.6585 24.9550 24.9550 25.6845 25.6845 k = 0.0390 0.5000 0.0390 ( 846 PWs) bands (ev): 5.2464 5.2464 5.4846 5.4846 5.8146 5.8146 5.9378 5.9378 6.1925 6.1925 7.3391 7.3391 8.0937 8.0937 10.5557 10.5557 11.0639 11.0639 11.1764 11.1764 11.7896 11.7896 12.6204 12.6204 24.8253 24.8253 25.1037 25.1037 25.8257 25.8257 k = 0.0325 0.5000 0.0325 ( 846 PWs) bands (ev): 5.2398 5.2398 5.4832 5.4832 5.8215 5.8215 5.9433 5.9433 6.1965 6.1965 7.3108 7.3108 8.0913 8.0913 10.5496 10.5496 11.0631 11.0631 11.1695 11.1695 11.7912 11.7912 12.6200 12.6200 24.9866 24.9866 25.2432 25.2432 25.9562 25.9563 k = 0.0260 0.5000 0.0260 ( 846 PWs) bands (ev): 5.2342 5.2342 5.4820 5.4820 5.8272 5.8272 5.9482 5.9482 6.1998 6.1998 7.2872 7.2872 8.0894 8.0894 10.5446 10.5446 11.0616 11.0616 11.1645 11.1645 11.7925 11.7925 12.6198 12.6198 25.1375 25.1375 25.3713 25.3713 26.0727 26.0727 k = 0.0195 0.5000 0.0195 ( 846 PWs) bands (ev): 5.2299 5.2299 5.4811 5.4811 5.8315 5.8315 5.9523 5.9523 6.2024 6.2024 7.2686 7.2686 8.0879 8.0879 10.5407 10.5407 11.0599 11.0599 11.1612 11.1612 11.7935 11.7935 12.6196 12.6196 25.2708 25.2708 25.4854 25.4854 26.1707 26.1707 k = 0.0130 0.5000 0.0130 ( 846 PWs) bands (ev): 5.2268 5.2268 5.4805 5.4805 5.8347 5.8347 5.9554 5.9554 6.2043 6.2043 7.2552 7.2552 8.0869 8.0869 10.5379 10.5379 11.0584 11.0584 11.1592 11.1592 11.7942 11.7942 12.6194 12.6194 25.3760 25.3760 25.5814 25.5814 26.2455 26.2455 k = 0.0065 0.5000 0.0065 ( 852 PWs) bands (ev): 5.2249 5.2249 5.4800 5.4800 5.8365 5.8365 5.9573 5.9573 6.2053 6.2053 7.2470 7.2470 8.0862 8.0862 10.5361 10.5361 11.0573 11.0573 11.1580 11.1580 11.7943 11.7943 12.6192 12.6192 25.4431 25.4431 25.6499 25.6499 26.2927 26.2927 k = 0.0000 0.5000-0.0000 ( 852 PWs) bands (ev): 5.2243 5.2243 5.4799 5.4799 5.8371 5.8371 5.9579 5.9579 6.2057 6.2057 7.2443 7.2443 8.0860 8.0860 10.5355 10.5355 11.0570 11.0570 11.1577 11.1577 11.7944 11.7944 12.6192 12.6192 25.4659 25.4659 25.6756 25.6756 26.3088 26.3088 k = 0.5000 0.5000-0.0000 ( 840 PWs) bands (ev): 5.0861 5.0861 5.3605 5.3605 5.7823 5.7823 5.8489 5.8489 6.3958 6.3958 9.0402 9.0402 10.8622 10.8622 11.3699 11.3699 11.3866 11.3866 11.5899 11.5899 11.6500 11.6500 12.1786 12.1786 16.0621 16.0621 16.3859 16.3859 27.5390 27.5390 k = 0.5000 0.5000 0.0091 ( 848 PWs) bands (ev): 5.0863 5.0863 5.3610 5.3610 5.7820 5.7820 5.8484 5.8484 6.3958 6.3958 9.0405 9.0405 10.8629 10.8629 11.3527 11.3527 11.3640 11.3640 11.6141 11.6141 11.6684 11.6684 12.1787 12.1787 16.0622 16.0622 16.3863 16.3863 27.5245 27.5245 k = 0.5000 0.5000 0.0182 ( 856 PWs) bands (ev): 5.0871 5.0871 5.3627 5.3627 5.7816 5.7816 5.8475 5.8475 6.3956 6.3956 9.0414 9.0414 10.8650 10.8650 11.3106 11.3106 11.3141 11.3141 11.6696 11.6696 11.7151 11.7151 12.1787 12.1787 16.0629 16.0629 16.3875 16.3875 27.4814 27.4814 k = 0.5000 0.5000 0.0273 ( 856 PWs) bands (ev): 5.0884 5.0884 5.3655 5.3655 5.7810 5.7810 5.8460 5.8460 6.3956 6.3956 9.0431 9.0431 10.8684 10.8684 11.2555 11.2555 11.2569 11.2569 11.7379 11.7379 11.7767 11.7767 12.1795 12.1795 16.0640 16.0640 16.3896 16.3896 27.4110 27.4110 k = 0.5000 0.5000 0.0364 ( 856 PWs) bands (ev): 5.0902 5.0902 5.3695 5.3695 5.7801 5.7801 5.8440 5.8440 6.3957 6.3957 9.0453 9.0453 10.8728 10.8728 11.1951 11.1951 11.1986 11.1986 11.8122 11.8122 11.8458 11.8458 12.1808 12.1808 16.0656 16.0656 16.3926 16.3926 27.3154 27.3154 k = 0.5000 0.5000 0.0455 ( 856 PWs) bands (ev): 5.0926 5.0926 5.3744 5.3744 5.7791 5.7791 5.8415 5.8415 6.3957 6.3957 9.0483 9.0483 10.8778 10.8778 11.1356 11.1356 11.1387 11.1387 11.8903 11.8903 11.9190 11.9190 12.1831 12.1831 16.0676 16.0676 16.3964 16.3964 27.1970 27.1970 k = 0.5000 0.5000 0.0545 ( 856 PWs) bands (ev): 5.0955 5.0955 5.3804 5.3804 5.7780 5.7780 5.8383 5.8383 6.3958 6.3958 9.0519 9.0519 10.8820 10.8820 11.0786 11.0786 11.0792 11.0792 11.9712 11.9712 11.9939 11.9939 12.1874 12.1874 16.0701 16.0701 16.4011 16.4011 27.0586 27.0586 k = 0.5000 0.5000 0.0636 ( 856 PWs) bands (ev): 5.0988 5.0988 5.3873 5.3873 5.7768 5.7768 5.8347 5.8347 6.3958 6.3958 9.0561 9.0561 10.8823 10.8823 11.0190 11.0190 11.0295 11.0295 12.0546 12.0546 12.0662 12.0662 12.1972 12.1972 16.0730 16.0730 16.4066 16.4066 26.9028 26.9028 k = 0.5000 0.5000 0.0727 ( 856 PWs) bands (ev): 5.1026 5.1026 5.3951 5.3951 5.7756 5.7756 5.8305 5.8305 6.3959 6.3959 9.0610 9.0610 10.8712 10.8712 10.9603 10.9603 10.9941 10.9941 12.1234 12.1234 12.1401 12.1401 12.2245 12.2245 16.0765 16.0765 16.4131 16.4131 26.7323 26.7323 k = 0.5000 0.5000 0.0818 ( 856 PWs) bands (ev): 5.1069 5.1069 5.4035 5.4035 5.7745 5.7745 5.8258 5.8258 6.3960 6.3960 9.0665 9.0665 10.8413 10.8413 10.9027 10.9027 10.9805 10.9805 12.1507 12.1507 12.2278 12.2278 12.2842 12.2842 16.0805 16.0805 16.4205 16.4205 26.5495 26.5495 k = 0.5000 0.5000 0.0909 ( 856 PWs) bands (ev): 5.1117 5.1117 5.4126 5.4126 5.7737 5.7737 5.8206 5.8206 6.3961 6.3961 9.0727 9.0727 10.7976 10.7976 10.8463 10.8463 10.9837 10.9837 12.1606 12.1606 12.3175 12.3175 12.3634 12.3634 16.0850 16.0850 16.4288 16.4288 26.3563 26.3563 k = 0.5000 0.5000 0.1000 ( 848 PWs) bands (ev): 5.1168 5.1168 5.4222 5.4222 5.7733 5.7733 5.8151 5.8151 6.3962 6.3962 9.0795 9.0795 10.7486 10.7486 10.7913 10.7913 10.9957 10.9957 12.1653 12.1653 12.4092 12.4092 12.4502 12.4502 16.0901 16.0901 16.4382 16.4382 26.1549 26.1549 k = 0.5000 0.5000 0.1091 ( 848 PWs) bands (ev): 5.1224 5.1224 5.4320 5.4320 5.7733 5.7733 5.8090 5.8090 6.3964 6.3964 9.0870 9.0870 10.6980 10.6980 10.7375 10.7375 11.0120 11.0120 12.1680 12.1680 12.5028 12.5028 12.5407 12.5407 16.0957 16.0957 16.4485 16.4485 25.9467 25.9467 k = 0.5000 0.5000 0.1182 ( 848 PWs) bands (ev): 5.1284 5.1284 5.4418 5.4418 5.7740 5.7740 5.8025 5.8025 6.3965 6.3965 9.0951 9.0951 10.6475 10.6475 10.6851 10.6851 11.0313 11.0313 12.1698 12.1698 12.5982 12.5982 12.6342 12.6342 16.1020 16.1020 16.4599 16.4599 25.7332 25.7332 k = 0.5000 0.5000 0.1273 ( 848 PWs) bands (ev): 5.1347 5.1347 5.4514 5.4514 5.7757 5.7757 5.7956 5.7956 6.3967 6.3967 9.1038 9.1038 10.5976 10.5976 10.6341 10.6341 11.0528 11.0528 12.1713 12.1713 12.6956 12.6956 12.7300 12.7300 16.1089 16.1089 16.4723 16.4723 25.5154 25.5154 k = 0.5000 0.5000 0.1364 ( 848 PWs) bands (ev): 5.1413 5.1413 5.4606 5.4606 5.7785 5.7785 5.7884 5.7884 6.3968 6.3968 9.1131 9.1131 10.5488 10.5488 10.5845 10.5845 11.0763 11.0763 12.1725 12.1725 12.7948 12.7948 12.8280 12.8280 16.1165 16.1165 16.4859 16.4859 25.2946 25.2946 k = 0.5000 0.5000 0.1455 ( 848 PWs) bands (ev): 5.1482 5.1482 5.4691 5.4691 5.7808 5.7808 5.7827 5.7827 6.3970 6.3970 9.1230 9.1230 10.5011 10.5011 10.5363 10.5363 11.1016 11.1016 12.1736 12.1736 12.8959 12.8959 12.9280 12.9280 16.1248 16.1248 16.5006 16.5006 25.0715 25.0715 k = 0.5000 0.5000 0.1545 ( 844 PWs) bands (ev): 5.1555 5.1555 5.4767 5.4767 5.7730 5.7730 5.7885 5.7885 6.3973 6.3973 9.1337 9.1337 10.4547 10.4547 10.4895 10.4895 11.1284 11.1284 12.1746 12.1746 12.9989 12.9989 13.0302 13.0302 16.1338 16.1338 16.5166 16.5166 24.8469 24.8469 k = 0.5000 0.5000 0.1636 ( 844 PWs) bands (ev): 5.1630 5.1630 5.4831 5.4831 5.7649 5.7649 5.7961 5.7961 6.3975 6.3975 9.1448 9.1448 10.4095 10.4095 10.4440 10.4440 11.1567 11.1567 12.1756 12.1756 13.1037 13.1037 13.1342 13.1342 16.1437 16.1437 16.5337 16.5337 24.6214 24.6214 k = 0.5000 0.5000 0.1727 ( 844 PWs) bands (ev): 5.1706 5.1706 5.4881 5.4881 5.7565 5.7565 5.8056 5.8056 6.3977 6.3977 9.1565 9.1565 10.3657 10.3657 10.3999 10.3999 11.1864 11.1864 12.1765 12.1765 13.2104 13.2104 13.2401 13.2401 16.1543 16.1543 16.5522 16.5522 24.3957 24.3957 k = 0.5000 0.5000 0.1818 ( 848 PWs) bands (ev): 5.1785 5.1785 5.4917 5.4917 5.7479 5.7479 5.8169 5.8169 6.3980 6.3980 9.1688 9.1688 10.3231 10.3231 10.3572 10.3572 11.2169 11.2169 12.1774 12.1774 13.3189 13.3189 13.3480 13.3480 16.1659 16.1659 16.5719 16.5719 24.1701 24.1701 k = 0.5000 0.5000 0.1909 ( 856 PWs) bands (ev): 5.1864 5.1864 5.4938 5.4938 5.7390 5.7390 5.8303 5.8303 6.3982 6.3982 9.1815 9.1815 10.2817 10.2817 10.3157 10.3157 11.2491 11.2491 12.1782 12.1782 13.4292 13.4292 13.4576 13.4576 16.1783 16.1783 16.5931 16.5931 23.9452 23.9452 k = 0.5000 0.5000 0.2000 ( 856 PWs) bands (ev): 5.1945 5.1945 5.4945 5.4945 5.7301 5.7301 5.8456 5.8456 6.3985 6.3985 9.1948 9.1948 10.2418 10.2418 10.2756 10.2756 11.2823 11.2823 12.1791 12.1791 13.5414 13.5414 13.5693 13.5693 16.1918 16.1918 16.6158 16.6158 23.7213 23.7213 k = 0.5000 0.5000 0.2091 ( 856 PWs) bands (ev): 5.2027 5.2027 5.4938 5.4938 5.7212 5.7212 5.8626 5.8626 6.3988 6.3988 9.2087 9.2087 10.2032 10.2032 10.2369 10.2369 11.3165 11.3165 12.1799 12.1799 13.6554 13.6554 13.6828 13.6828 16.2063 16.2063 16.6400 16.6400 23.4988 23.4988 k = 0.5000 0.5000 0.2182 ( 856 PWs) bands (ev): 5.2109 5.2109 5.4920 5.4920 5.7122 5.7122 5.8813 5.8813 6.3991 6.3991 9.2231 9.2231 10.1658 10.1658 10.1995 10.1995 11.3516 11.3516 12.1808 12.1808 13.7713 13.7713 13.7981 13.7981 16.2219 16.2219 16.6657 16.6657 23.2779 23.2779 k = 0.5000 0.5000 0.2273 ( 856 PWs) bands (ev): 5.2191 5.2191 5.4891 5.4891 5.7031 5.7031 5.9013 5.9013 6.3995 6.3995 9.2379 9.2379 10.1298 10.1298 10.1634 10.1634 11.3875 11.3875 12.1817 12.1817 13.8890 13.8890 13.9154 13.9154 16.2387 16.2387 16.6931 16.6931 23.0589 23.0589 k = 0.5000 0.5000 0.2364 ( 856 PWs) bands (ev): 5.2274 5.2274 5.4852 5.4852 5.6941 5.6941 5.9224 5.9224 6.3998 6.3998 9.2532 9.2532 10.0951 10.0951 10.1286 10.1286 11.4241 11.4241 12.1826 12.1826 14.0085 14.0085 14.0344 14.0344 16.2567 16.2567 16.7222 16.7222 22.8421 22.8421 k = 0.5000 0.5000 0.2455 ( 856 PWs) bands (ev): 5.2355 5.2355 5.4806 5.4806 5.6851 5.6851 5.9446 5.9446 6.4002 6.4002 9.2689 9.2689 10.0617 10.0617 10.0951 10.0951 11.4612 11.4612 12.1834 12.1834 14.1298 14.1298 14.1553 14.1553 16.2760 16.2760 16.7531 16.7531 22.6278 22.6278 k = 0.5000 0.5000 0.2545 ( 856 PWs) bands (ev): 5.2436 5.2436 5.4753 5.4753 5.6763 5.6763 5.9675 5.9675 6.4005 6.4005 9.2849 9.2849 10.0295 10.0295 10.0629 10.0629 11.4988 11.4988 12.1843 12.1843 14.2530 14.2530 14.2781 14.2781 16.2966 16.2966 16.7857 16.7857 22.4160 22.4160 k = 0.5000 0.5000 0.2636 ( 856 PWs) bands (ev): 5.2515 5.2515 5.4696 5.4696 5.6676 5.6676 5.9910 5.9910 6.4009 6.4009 9.3013 9.3013 9.9985 9.9985 10.0319 10.0319 11.5368 11.5368 12.1852 12.1852 14.3779 14.3779 14.4026 14.4026 16.3187 16.3187 16.8203 16.8203 22.2071 22.2071 k = 0.5000 0.5000 0.2727 ( 864 PWs) bands (ev): 5.2593 5.2593 5.4633 5.4633 5.6589 5.6589 6.0148 6.0148 6.4012 6.4012 9.3179 9.3179 9.9686 9.9686 10.0019 10.0019 11.5749 11.5749 12.1858 12.1858 14.5046 14.5046 14.5290 14.5290 16.3422 16.3422 16.8567 16.8567 22.0012 22.0012 k = 0.5000 0.5000 0.2818 ( 864 PWs) bands (ev): 5.2668 5.2668 5.4568 5.4568 5.6505 5.6505 6.0390 6.0390 6.4016 6.4016 9.3348 9.3348 9.9402 9.9402 9.9734 9.9734 11.6132 11.6132 12.1867 12.1867 14.6331 14.6331 14.6572 14.6572 16.3673 16.3673 16.8952 16.8952 21.7985 21.7985 k = 0.5000 0.5000 0.2909 ( 856 PWs) bands (ev): 5.2742 5.2742 5.4502 5.4502 5.6425 5.6425 6.0634 6.0634 6.4020 6.4020 9.3519 9.3519 9.9131 9.9131 9.9463 9.9463 11.6518 11.6518 12.1875 12.1875 14.7635 14.7635 14.7873 14.7873 16.3941 16.3941 16.9356 16.9356 21.5991 21.5991 k = 0.5000 0.5000 0.3000 ( 856 PWs) bands (ev): 5.2813 5.2813 5.4434 5.4434 5.6347 5.6347 6.0876 6.0876 6.4023 6.4023 9.3690 9.3690 9.8871 9.8871 9.9203 9.9203 11.6897 11.6897 12.1883 12.1883 14.8955 14.8955 14.9191 14.9191 16.4226 16.4226 16.9781 16.9781 21.4033 21.4033 k = 0.5000 0.5000 0.3091 ( 856 PWs) bands (ev): 5.2880 5.2880 5.4365 5.4365 5.6272 5.6272 6.1116 6.1116 6.4027 6.4027 9.3863 9.3863 9.8623 9.8623 9.8955 9.8955 11.7274 11.7274 12.1891 12.1891 15.0294 15.0294 15.0528 15.0528 16.4528 16.4528 17.0226 17.0226 21.2111 21.2111 k = 0.5000 0.5000 0.3182 ( 868 PWs) bands (ev): 5.2945 5.2945 5.4294 5.4294 5.6198 5.6198 6.1352 6.1352 6.4031 6.4031 9.4035 9.4035 9.8384 9.8384 9.8715 9.8715 11.7643 11.7643 12.1899 12.1899 15.1649 15.1649 15.1881 15.1881 16.4849 16.4849 17.0691 17.0691 21.0228 21.0228 k = 0.5000 0.5000 0.3273 ( 868 PWs) bands (ev): 5.3006 5.3006 5.4225 5.4225 5.6130 5.6130 6.1585 6.1585 6.4035 6.4035 9.4206 9.4206 9.8160 9.8160 9.8491 9.8491 11.8008 11.8008 12.1906 12.1906 15.3023 15.3023 15.3253 15.3253 16.5189 16.5189 17.1177 17.1177 20.8385 20.8385 k = 0.5000 0.5000 0.3364 ( 868 PWs) bands (ev): 5.3063 5.3063 5.4158 5.4158 5.6066 5.6066 6.1813 6.1813 6.4038 6.4038 9.4376 9.4376 9.7948 9.7948 9.8279 9.8279 11.8365 11.8365 12.1914 12.1914 15.4413 15.4413 15.4643 15.4643 16.5548 16.5548 17.1683 17.1683 20.6584 20.6584 k = 0.5000 0.5000 0.3455 ( 868 PWs) bands (ev): 5.3116 5.3116 5.4092 5.4092 5.6006 5.6006 6.2034 6.2034 6.4042 6.4042 9.4543 9.4543 9.7747 9.7747 9.8080 9.8080 11.8714 11.8714 12.1921 12.1921 15.5821 15.5821 15.6050 15.6050 16.5927 16.5927 17.2207 17.2207 20.4827 20.4827 k = 0.5000 0.5000 0.3545 ( 876 PWs) bands (ev): 5.3165 5.3165 5.4027 5.4027 5.5950 5.5950 6.2245 6.2245 6.4045 6.4045 9.4707 9.4707 9.7558 9.7558 9.7891 9.7891 11.9045 11.9045 12.1928 12.1928 15.7246 15.7246 15.7475 15.7475 16.6327 16.6327 17.2749 17.2749 20.3114 20.3114 k = 0.5000 0.5000 0.3636 ( 876 PWs) bands (ev): 5.3211 5.3211 5.3965 5.3965 5.5899 5.5899 6.2451 6.2451 6.4049 6.4049 9.4866 9.4866 9.7381 9.7381 9.7715 9.7715 11.9370 11.9370 12.1934 12.1934 15.8687 15.8687 15.8917 15.8917 16.6746 16.6746 17.3308 17.3308 20.1449 20.1449 k = 0.5000 0.5000 0.3727 ( 876 PWs) bands (ev): 5.3252 5.3252 5.3906 5.3906 5.5852 5.5852 6.2647 6.2647 6.4052 6.4052 9.5021 9.5021 9.7216 9.7216 9.7551 9.7551 11.9682 11.9682 12.1941 12.1941 16.0145 16.0145 16.0376 16.0376 16.7186 16.7186 17.3881 17.3881 19.9834 19.9834 k = 0.5000 0.5000 0.3818 ( 876 PWs) bands (ev): 5.3288 5.3288 5.3850 5.3850 5.5810 5.5810 6.2833 6.2833 6.4055 6.4055 9.5169 9.5169 9.7062 9.7062 9.7400 9.7400 11.9978 11.9978 12.1947 12.1947 16.1618 16.1618 16.1852 16.1852 16.7646 16.7646 17.4466 17.4466 19.8270 19.8270 k = 0.5000 0.5000 0.3909 ( 860 PWs) bands (ev): 5.3324 5.3324 5.3797 5.3797 5.5774 5.5774 6.3010 6.3010 6.4060 6.4060 9.5315 9.5315 9.6921 9.6921 9.7261 9.7261 12.0262 12.0262 12.1957 12.1957 16.3108 16.3108 16.3345 16.3345 16.8124 16.8124 17.5059 17.5059 19.6761 19.6761 k = 0.5000 0.5000 0.4000 ( 860 PWs) bands (ev): 5.3352 5.3352 5.3747 5.3747 5.5740 5.5740 6.3174 6.3174 6.4063 6.4063 9.5448 9.5448 9.6791 9.6791 9.7134 9.7134 12.0525 12.0525 12.1962 12.1962 16.4611 16.4611 16.4854 16.4854 16.8619 16.8619 17.5656 17.5656 19.5310 19.5310 k = 0.5000 0.5000 0.4091 ( 860 PWs) bands (ev): 5.3377 5.3377 5.3701 5.3701 5.5711 5.5711 6.3326 6.3326 6.4065 6.4065 9.5571 9.5571 9.6671 9.6671 9.7019 9.7019 12.0769 12.0769 12.1967 12.1967 16.6128 16.6128 16.6378 16.6378 16.9129 16.9129 17.6251 17.6251 19.3921 19.3921 k = 0.5000 0.5000 0.4182 ( 860 PWs) bands (ev): 5.3398 5.3398 5.3659 5.3659 5.5686 5.5686 6.3466 6.3466 6.4068 6.4068 9.5684 9.5684 9.6564 9.6564 9.6917 9.6917 12.0994 12.0994 12.1971 12.1971 16.7658 16.7658 16.7917 16.7917 16.9649 16.9649 17.6839 17.6839 19.2600 19.2600 k = 0.5000 0.5000 0.4273 ( 860 PWs) bands (ev): 5.3416 5.3416 5.3620 5.3620 5.5664 5.5664 6.3592 6.3592 6.4070 6.4070 9.5785 9.5785 9.6468 9.6468 9.6829 9.6829 12.1197 12.1197 12.1975 12.1975 16.9197 16.9197 16.9469 16.9469 17.0176 17.0176 17.7411 17.7411 19.1351 19.1351 k = 0.5000 0.5000 0.4364 ( 860 PWs) bands (ev): 5.3431 5.3431 5.3586 5.3586 5.5646 5.5646 6.3704 6.3704 6.4072 6.4072 9.5873 9.5873 9.6383 9.6383 9.6754 9.6754 12.1380 12.1380 12.1979 12.1979 17.0701 17.0701 17.0743 17.0743 17.1033 17.1033 17.7959 17.7959 19.0185 19.0185 k = 0.5000 0.5000 0.4455 ( 860 PWs) bands (ev): 5.3443 5.3443 5.3556 5.3556 5.5631 5.5631 6.3802 6.3802 6.4074 6.4074 9.5947 9.5947 9.6309 9.6309 9.6693 9.6693 12.1539 12.1539 12.1982 12.1982 17.1218 17.1218 17.2291 17.2291 17.2604 17.2604 17.8473 17.8473 18.9110 18.9110 k = 0.5000 0.5000 0.4545 ( 852 PWs) bands (ev): 5.3454 5.3454 5.3531 5.3531 5.5620 5.5620 6.3886 6.3886 6.4076 6.4076 9.6006 9.6006 9.6249 9.6249 9.6648 9.6648 12.1675 12.1675 12.1987 12.1987 17.1710 17.1710 17.3830 17.3830 17.4179 17.4179 17.8942 17.8942 18.8141 18.8141 k = 0.5000 0.5000 0.4636 ( 852 PWs) bands (ev): 5.3461 5.3461 5.3510 5.3510 5.5611 5.5611 6.3954 6.3954 6.4077 6.4077 9.6050 9.6050 9.6198 9.6198 9.6615 9.6615 12.1788 12.1788 12.1989 12.1989 17.2163 17.2163 17.5344 17.5344 17.5745 17.5745 17.9357 17.9357 18.7294 18.7294 k = 0.5000 0.5000 0.4727 ( 840 PWs) bands (ev): 5.3468 5.3468 5.3496 5.3496 5.5605 5.5605 6.4010 6.4010 6.4078 6.4078 9.6081 9.6081 9.6162 9.6162 9.6597 9.6597 12.1880 12.1880 12.1991 12.1991 17.2554 17.2554 17.6794 17.6794 17.7282 17.7282 17.9713 17.9713 18.6584 18.6584 k = 0.5000 0.5000 0.4818 ( 840 PWs) bands (ev): 5.3471 5.3471 5.3484 5.3484 5.5600 5.5600 6.4048 6.4048 6.4079 6.4079 9.6099 9.6099 9.6134 9.6134 9.6585 9.6585 12.1943 12.1943 12.1992 12.1992 17.2859 17.2859 17.8092 17.8092 17.8734 17.8734 18.0018 18.0018 18.6015 18.6015 k = 0.5000 0.5000 0.4909 ( 840 PWs) bands (ev): 5.3474 5.3474 5.3477 5.3477 5.5597 5.5597 6.4072 6.4072 6.4079 6.4079 9.6108 9.6108 9.6117 9.6117 9.6580 9.6580 12.1981 12.1981 12.1993 12.1993 17.3055 17.3055 17.9026 17.9026 17.9946 17.9946 18.0309 18.0309 18.5498 18.5498 k = 0.5000 0.5000 0.5000 ( 840 PWs) bands (ev): 5.3474 5.3474 5.3474 5.3474 5.5596 5.5596 6.4079 6.4079 6.4079 6.4079 9.6111 9.6111 9.6111 9.6111 9.6578 9.6578 12.1993 12.1993 12.1993 12.1993 17.3122 17.3122 17.9346 17.9346 18.0485 18.0485 18.0485 18.0485 18.5136 18.5136 Writing output data file ZnNi.save init_run : 0.13s CPU 0.26s WALL ( 1 calls) electrons : 47.32s CPU 48.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 47.31s CPU 48.63s 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 : 0.01s CPU 0.02s WALL ( 419 calls) cegterg : 43.72s CPU 44.58s WALL ( 555 calls) Called by sum_band: Called by *egterg: h_psi : 15.96s CPU 16.40s WALL ( 8674 calls) s_psi : 0.98s CPU 1.02s WALL ( 8674 calls) g_psi : 0.03s CPU 0.03s WALL ( 7700 calls) cdiaghg : 25.98s CPU 26.46s WALL ( 8119 calls) cegterg:over : 1.26s CPU 1.26s WALL ( 7700 calls) cegterg:upda : 0.82s CPU 0.88s WALL ( 7700 calls) cegterg:last : 0.42s CPU 0.43s WALL ( 1313 calls) cdiaghg:chol : 1.22s CPU 1.31s WALL ( 8119 calls) cdiaghg:inve : 0.63s CPU 0.62s WALL ( 8119 calls) cdiaghg:para : 1.46s CPU 1.57s WALL ( 16238 calls) Called by h_psi: h_psi:vloc : 13.81s CPU 14.05s WALL ( 8674 calls) h_psi:vnl : 2.11s CPU 2.32s WALL ( 8674 calls) add_vuspsi : 1.26s CPU 1.35s WALL ( 8674 calls) General routines calbec : 0.82s CPU 0.96s WALL ( 8674 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 13.15s CPU 13.35s WALL ( 483480 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.26s WALL ( 838 calls) Parallel routines fft_scatter : 8.32s CPU 8.39s WALL ( 483503 calls) PWSCF : 0m55.26s CPU 1m 8.31s WALL This run was terminated on: 20:56:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=