Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:30: 0 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: ./SiNi3.save/ file Ni.rel-pbe-n-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 23 16 5 495 309 55 Max 24 17 6 498 327 58 Sum 829 609 193 17845 11459 2007 bravais-lattice index = 14 lattice parameter (alat) = 6.6235 a.u. unit-cell volume = 290.5766 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.623490 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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) Si 4.00 28.08550 Si( 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= 347 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0028818 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0028818 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0028818 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0028818 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0028818 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0028818 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0028818 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0028818 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0028818 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0028818 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0028818 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0028818 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0028818 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0028818 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0028818 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0028818 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0028818 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0028818 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0028818 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0028818 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0028818 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0028818 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0028818 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0028818 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0028818 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0028818 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0028818 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0028818 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0028818 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0028818 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0028818 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0028818 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0028818 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0028818 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0028818 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0028818 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0028818 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0028818 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0028818 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0028818 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0028818 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0028818 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0028818 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0028818 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028818 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028818 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0028818 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0028818 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0028818 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0028818 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0028818 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0028818 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0028818 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0028818 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028818 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0028818 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0028818 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0028818 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0028818 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0028818 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0028818 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0028818 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0028818 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0028818 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0028818 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0028818 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0028818 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0028818 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0028818 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0028818 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0028818 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0028818 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028818 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0028818 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0028818 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0028818 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0028818 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0028818 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0028818 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0028818 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0028818 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0028818 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0028818 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0028818 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0028818 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0028818 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0028818 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0028818 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0028818 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0028818 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028818 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028818 k( 94) = ( 0.4921875 0.4921875 -0.0000000), wk = 0.0028818 k( 95) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0028818 k( 96) = ( 0.4765625 0.4765625 -0.0000000), wk = 0.0028818 k( 97) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0028818 k( 98) = ( 0.4609375 0.4609375 -0.0000000), wk = 0.0028818 k( 99) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0028818 k( 100) = ( 0.4453125 0.4453125 -0.0000000), wk = 0.0028818 k( 101) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0028818 k( 102) = ( 0.4296875 0.4296875 -0.0000000), wk = 0.0028818 k( 103) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0028818 k( 104) = ( 0.4140625 0.4140625 -0.0000000), wk = 0.0028818 k( 105) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0028818 k( 106) = ( 0.3984375 0.3984375 -0.0000000), wk = 0.0028818 k( 107) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0028818 k( 108) = ( 0.3828125 0.3828125 -0.0000000), wk = 0.0028818 k( 109) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0028818 k( 110) = ( 0.3671875 0.3671875 -0.0000000), wk = 0.0028818 k( 111) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0028818 k( 112) = ( 0.3515625 0.3515625 -0.0000000), wk = 0.0028818 k( 113) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0028818 k( 114) = ( 0.3359375 0.3359375 -0.0000000), wk = 0.0028818 k( 115) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0028818 k( 116) = ( 0.3203125 0.3203125 -0.0000000), wk = 0.0028818 k( 117) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0028818 k( 118) = ( 0.3046875 0.3046875 -0.0000000), wk = 0.0028818 k( 119) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0028818 k( 120) = ( 0.2890625 0.2890625 -0.0000000), wk = 0.0028818 k( 121) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0028818 k( 122) = ( 0.2734375 0.2734375 -0.0000000), wk = 0.0028818 k( 123) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0028818 k( 124) = ( 0.2578125 0.2578125 -0.0000000), wk = 0.0028818 k( 125) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028818 k( 126) = ( 0.2421875 0.2421875 -0.0000000), wk = 0.0028818 k( 127) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0028818 k( 128) = ( 0.2265625 0.2265625 -0.0000000), wk = 0.0028818 k( 129) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0028818 k( 130) = ( 0.2109375 0.2109375 -0.0000000), wk = 0.0028818 k( 131) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0028818 k( 132) = ( 0.1953125 0.1953125 -0.0000000), wk = 0.0028818 k( 133) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0028818 k( 134) = ( 0.1796875 0.1796875 -0.0000000), wk = 0.0028818 k( 135) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0028818 k( 136) = ( 0.1640625 0.1640625 -0.0000000), wk = 0.0028818 k( 137) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0028818 k( 138) = ( 0.1484375 0.1484375 -0.0000000), wk = 0.0028818 k( 139) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0028818 k( 140) = ( 0.1328125 0.1328125 -0.0000000), wk = 0.0028818 k( 141) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028818 k( 142) = ( 0.1171875 0.1171875 -0.0000000), wk = 0.0028818 k( 143) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0028818 k( 144) = ( 0.1015625 0.1015625 -0.0000000), wk = 0.0028818 k( 145) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0028818 k( 146) = ( 0.0859375 0.0859375 -0.0000000), wk = 0.0028818 k( 147) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0028818 k( 148) = ( 0.0703125 0.0703125 -0.0000000), wk = 0.0028818 k( 149) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0028818 k( 150) = ( 0.0546875 0.0546875 -0.0000000), wk = 0.0028818 k( 151) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0028818 k( 152) = ( 0.0390625 0.0390625 -0.0000000), wk = 0.0028818 k( 153) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0028818 k( 154) = ( 0.0234375 0.0234375 -0.0000000), wk = 0.0028818 k( 155) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0028818 k( 156) = ( 0.0078125 0.0078125 -0.0000000), wk = 0.0028818 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 159) = ( 0.0064103 0.0064103 0.0064103), wk = 0.0028818 k( 160) = ( 0.0128205 0.0128205 0.0128205), wk = 0.0028818 k( 161) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0028818 k( 162) = ( 0.0256410 0.0256410 0.0256410), wk = 0.0028818 k( 163) = ( 0.0320513 0.0320513 0.0320513), wk = 0.0028818 k( 164) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0028818 k( 165) = ( 0.0448718 0.0448718 0.0448718), wk = 0.0028818 k( 166) = ( 0.0512821 0.0512820 0.0512820), wk = 0.0028818 k( 167) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0028818 k( 168) = ( 0.0641026 0.0641026 0.0641026), wk = 0.0028818 k( 169) = ( 0.0705128 0.0705128 0.0705128), wk = 0.0028818 k( 170) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0028818 k( 171) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0028818 k( 172) = ( 0.0897436 0.0897436 0.0897436), wk = 0.0028818 k( 173) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0028818 k( 174) = ( 0.1025641 0.1025641 0.1025641), wk = 0.0028818 k( 175) = ( 0.1089744 0.1089744 0.1089744), wk = 0.0028818 k( 176) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0028818 k( 177) = ( 0.1217949 0.1217949 0.1217949), wk = 0.0028818 k( 178) = ( 0.1282051 0.1282051 0.1282051), wk = 0.0028818 k( 179) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0028818 k( 180) = ( 0.1410256 0.1410256 0.1410256), wk = 0.0028818 k( 181) = ( 0.1474359 0.1474359 0.1474359), wk = 0.0028818 k( 182) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0028818 k( 183) = ( 0.1602564 0.1602564 0.1602564), wk = 0.0028818 k( 184) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028818 k( 185) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0028818 k( 186) = ( 0.1794872 0.1794872 0.1794872), wk = 0.0028818 k( 187) = ( 0.1858974 0.1858974 0.1858974), wk = 0.0028818 k( 188) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0028818 k( 189) = ( 0.1987180 0.1987179 0.1987179), wk = 0.0028818 k( 190) = ( 0.2051282 0.2051282 0.2051282), wk = 0.0028818 k( 191) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0028818 k( 192) = ( 0.2179487 0.2179487 0.2179487), wk = 0.0028818 k( 193) = ( 0.2243590 0.2243590 0.2243590), wk = 0.0028818 k( 194) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0028818 k( 195) = ( 0.2371795 0.2371795 0.2371795), wk = 0.0028818 k( 196) = ( 0.2435897 0.2435897 0.2435897), wk = 0.0028818 k( 197) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 k( 198) = ( 0.2564103 0.2564103 0.2564103), wk = 0.0028818 k( 199) = ( 0.2628205 0.2628205 0.2628205), wk = 0.0028818 k( 200) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0028818 k( 201) = ( 0.2756410 0.2756410 0.2756410), wk = 0.0028818 k( 202) = ( 0.2820513 0.2820513 0.2820513), wk = 0.0028818 k( 203) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0028818 k( 204) = ( 0.2948718 0.2948718 0.2948718), wk = 0.0028818 k( 205) = ( 0.3012821 0.3012820 0.3012820), wk = 0.0028818 k( 206) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0028818 k( 207) = ( 0.3141026 0.3141026 0.3141026), wk = 0.0028818 k( 208) = ( 0.3205128 0.3205128 0.3205128), wk = 0.0028818 k( 209) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0028818 k( 210) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028818 k( 211) = ( 0.3397436 0.3397436 0.3397436), wk = 0.0028818 k( 212) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0028818 k( 213) = ( 0.3525641 0.3525641 0.3525641), wk = 0.0028818 k( 214) = ( 0.3589744 0.3589744 0.3589744), wk = 0.0028818 k( 215) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0028818 k( 216) = ( 0.3717949 0.3717949 0.3717949), wk = 0.0028818 k( 217) = ( 0.3782051 0.3782051 0.3782051), wk = 0.0028818 k( 218) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0028818 k( 219) = ( 0.3910256 0.3910256 0.3910256), wk = 0.0028818 k( 220) = ( 0.3974359 0.3974359 0.3974359), wk = 0.0028818 k( 221) = ( 0.4038462 0.4038461 0.4038461), wk = 0.0028818 k( 222) = ( 0.4102564 0.4102564 0.4102564), wk = 0.0028818 k( 223) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0028818 k( 224) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0028818 k( 225) = ( 0.4294872 0.4294872 0.4294872), wk = 0.0028818 k( 226) = ( 0.4358974 0.4358974 0.4358974), wk = 0.0028818 k( 227) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0028818 k( 228) = ( 0.4487179 0.4487179 0.4487179), wk = 0.0028818 k( 229) = ( 0.4551282 0.4551282 0.4551282), wk = 0.0028818 k( 230) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0028818 k( 231) = ( 0.4679487 0.4679487 0.4679487), wk = 0.0028818 k( 232) = ( 0.4743590 0.4743590 0.4743590), wk = 0.0028818 k( 233) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0028818 k( 234) = ( 0.4871795 0.4871795 0.4871795), wk = 0.0028818 k( 235) = ( 0.4935897 0.4935897 0.4935897), wk = 0.0028818 k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 237) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 238) = ( 0.4921875 0.5000000 0.4921875), wk = 0.0028818 k( 239) = ( 0.4843750 0.5000000 0.4843750), wk = 0.0028818 k( 240) = ( 0.4765625 0.5000000 0.4765625), wk = 0.0028818 k( 241) = ( 0.4687500 0.5000000 0.4687500), wk = 0.0028818 k( 242) = ( 0.4609375 0.5000000 0.4609375), wk = 0.0028818 k( 243) = ( 0.4531250 0.5000000 0.4531250), wk = 0.0028818 k( 244) = ( 0.4453125 0.5000000 0.4453125), wk = 0.0028818 k( 245) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0028818 k( 246) = ( 0.4296875 0.5000000 0.4296875), wk = 0.0028818 k( 247) = ( 0.4218750 0.5000000 0.4218750), wk = 0.0028818 k( 248) = ( 0.4140625 0.5000000 0.4140625), wk = 0.0028818 k( 249) = ( 0.4062500 0.5000000 0.4062500), wk = 0.0028818 k( 250) = ( 0.3984375 0.5000000 0.3984375), wk = 0.0028818 k( 251) = ( 0.3906250 0.5000000 0.3906250), wk = 0.0028818 k( 252) = ( 0.3828125 0.5000000 0.3828125), wk = 0.0028818 k( 253) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0028818 k( 254) = ( 0.3671875 0.5000000 0.3671875), wk = 0.0028818 k( 255) = ( 0.3593750 0.5000000 0.3593750), wk = 0.0028818 k( 256) = ( 0.3515625 0.5000000 0.3515625), wk = 0.0028818 k( 257) = ( 0.3437500 0.5000000 0.3437500), wk = 0.0028818 k( 258) = ( 0.3359375 0.5000000 0.3359375), wk = 0.0028818 k( 259) = ( 0.3281250 0.5000000 0.3281250), wk = 0.0028818 k( 260) = ( 0.3203125 0.5000000 0.3203125), wk = 0.0028818 k( 261) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0028818 k( 262) = ( 0.3046875 0.5000000 0.3046875), wk = 0.0028818 k( 263) = ( 0.2968750 0.5000000 0.2968750), wk = 0.0028818 k( 264) = ( 0.2890625 0.5000000 0.2890625), wk = 0.0028818 k( 265) = ( 0.2812500 0.5000000 0.2812500), wk = 0.0028818 k( 266) = ( 0.2734375 0.5000000 0.2734375), wk = 0.0028818 k( 267) = ( 0.2656250 0.5000000 0.2656250), wk = 0.0028818 k( 268) = ( 0.2578125 0.5000000 0.2578125), wk = 0.0028818 k( 269) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0028818 k( 270) = ( 0.2421875 0.5000000 0.2421875), wk = 0.0028818 k( 271) = ( 0.2343750 0.5000000 0.2343750), wk = 0.0028818 k( 272) = ( 0.2265625 0.5000000 0.2265625), wk = 0.0028818 k( 273) = ( 0.2187500 0.5000000 0.2187500), wk = 0.0028818 k( 274) = ( 0.2109375 0.5000000 0.2109375), wk = 0.0028818 k( 275) = ( 0.2031250 0.5000000 0.2031250), wk = 0.0028818 k( 276) = ( 0.1953125 0.5000000 0.1953125), wk = 0.0028818 k( 277) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0028818 k( 278) = ( 0.1796875 0.5000000 0.1796875), wk = 0.0028818 k( 279) = ( 0.1718750 0.5000000 0.1718750), wk = 0.0028818 k( 280) = ( 0.1640625 0.5000000 0.1640625), wk = 0.0028818 k( 281) = ( 0.1562500 0.5000000 0.1562500), wk = 0.0028818 k( 282) = ( 0.1484375 0.5000000 0.1484375), wk = 0.0028818 k( 283) = ( 0.1406250 0.5000000 0.1406250), wk = 0.0028818 k( 284) = ( 0.1328125 0.5000000 0.1328125), wk = 0.0028818 k( 285) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0028818 k( 286) = ( 0.1171875 0.5000000 0.1171875), wk = 0.0028818 k( 287) = ( 0.1093750 0.5000000 0.1093750), wk = 0.0028818 k( 288) = ( 0.1015625 0.5000000 0.1015625), wk = 0.0028818 k( 289) = ( 0.0937500 0.5000000 0.0937500), wk = 0.0028818 k( 290) = ( 0.0859375 0.5000000 0.0859375), wk = 0.0028818 k( 291) = ( 0.0781250 0.5000000 0.0781250), wk = 0.0028818 k( 292) = ( 0.0703125 0.5000000 0.0703125), wk = 0.0028818 k( 293) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0028818 k( 294) = ( 0.0546875 0.5000000 0.0546875), wk = 0.0028818 k( 295) = ( 0.0468750 0.5000000 0.0468750), wk = 0.0028818 k( 296) = ( 0.0390625 0.5000000 0.0390625), wk = 0.0028818 k( 297) = ( 0.0312500 0.5000000 0.0312500), wk = 0.0028818 k( 298) = ( 0.0234375 0.5000000 0.0234375), wk = 0.0028818 k( 299) = ( 0.0156250 0.5000000 0.0156250), wk = 0.0028818 k( 300) = ( 0.0078125 0.5000000 0.0078125), wk = 0.0028818 k( 301) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028818 k( 302) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028818 k( 303) = ( 0.5000000 0.5000000 0.0111111), wk = 0.0028818 k( 304) = ( 0.5000000 0.5000000 0.0222222), wk = 0.0028818 k( 305) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0028818 k( 306) = ( 0.5000000 0.5000000 0.0444444), wk = 0.0028818 k( 307) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0028818 k( 308) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0028818 k( 309) = ( 0.5000000 0.5000000 0.0777778), wk = 0.0028818 k( 310) = ( 0.5000000 0.5000000 0.0888889), wk = 0.0028818 k( 311) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0028818 k( 312) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0028818 k( 313) = ( 0.5000000 0.5000000 0.1222222), wk = 0.0028818 k( 314) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0028818 k( 315) = ( 0.5000000 0.5000000 0.1444444), wk = 0.0028818 k( 316) = ( 0.5000000 0.5000000 0.1555556), wk = 0.0028818 k( 317) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028818 k( 318) = ( 0.5000000 0.5000000 0.1777778), wk = 0.0028818 k( 319) = ( 0.5000000 0.5000000 0.1888889), wk = 0.0028818 k( 320) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0028818 k( 321) = ( 0.5000000 0.5000000 0.2111111), wk = 0.0028818 k( 322) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0028818 k( 323) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0028818 k( 324) = ( 0.5000000 0.5000000 0.2444444), wk = 0.0028818 k( 325) = ( 0.5000000 0.5000000 0.2555556), wk = 0.0028818 k( 326) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0028818 k( 327) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0028818 k( 328) = ( 0.5000000 0.5000000 0.2888889), wk = 0.0028818 k( 329) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0028818 k( 330) = ( 0.5000000 0.5000000 0.3111111), wk = 0.0028818 k( 331) = ( 0.5000000 0.5000000 0.3222222), wk = 0.0028818 k( 332) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028818 k( 333) = ( 0.5000000 0.5000000 0.3444444), wk = 0.0028818 k( 334) = ( 0.5000000 0.5000000 0.3555556), wk = 0.0028818 k( 335) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0028818 k( 336) = ( 0.5000000 0.5000000 0.3777778), wk = 0.0028818 k( 337) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0028818 k( 338) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0028818 k( 339) = ( 0.5000000 0.5000000 0.4111111), wk = 0.0028818 k( 340) = ( 0.5000000 0.5000000 0.4222222), wk = 0.0028818 k( 341) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0028818 k( 342) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0028818 k( 343) = ( 0.5000000 0.5000000 0.4555556), wk = 0.0028818 k( 344) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0028818 k( 345) = ( 0.5000000 0.5000000 0.4777778), wk = 0.0028818 k( 346) = ( 0.5000000 0.5000000 0.4888889), wk = 0.0028818 k( 347) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0000000 0.0111111 0.0000000), wk = 0.0028818 k( 3) = ( 0.0000000 0.0222222 0.0000000), wk = 0.0028818 k( 4) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0028818 k( 5) = ( 0.0000000 0.0444444 0.0000000), wk = 0.0028818 k( 6) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0028818 k( 7) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0028818 k( 8) = ( 0.0000000 0.0777778 0.0000000), wk = 0.0028818 k( 9) = ( 0.0000000 0.0888889 0.0000000), wk = 0.0028818 k( 10) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0028818 k( 11) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0028818 k( 12) = ( 0.0000000 0.1222222 0.0000000), wk = 0.0028818 k( 13) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0028818 k( 14) = ( 0.0000000 0.1444444 0.0000000), wk = 0.0028818 k( 15) = ( 0.0000000 0.1555556 0.0000000), wk = 0.0028818 k( 16) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0028818 k( 17) = ( 0.0000000 0.1777778 0.0000000), wk = 0.0028818 k( 18) = ( 0.0000000 0.1888889 0.0000000), wk = 0.0028818 k( 19) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0028818 k( 20) = ( 0.0000000 0.2111111 0.0000000), wk = 0.0028818 k( 21) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0028818 k( 22) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0028818 k( 23) = ( 0.0000000 0.2444444 0.0000000), wk = 0.0028818 k( 24) = ( 0.0000000 0.2555556 0.0000000), wk = 0.0028818 k( 25) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0028818 k( 26) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0028818 k( 27) = ( 0.0000000 0.2888889 0.0000000), wk = 0.0028818 k( 28) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0028818 k( 29) = ( 0.0000000 0.3111111 0.0000000), wk = 0.0028818 k( 30) = ( 0.0000000 0.3222222 0.0000000), wk = 0.0028818 k( 31) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0028818 k( 32) = ( 0.0000000 0.3444444 0.0000000), wk = 0.0028818 k( 33) = ( 0.0000000 0.3555556 0.0000000), wk = 0.0028818 k( 34) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0028818 k( 35) = ( 0.0000000 0.3777778 0.0000000), wk = 0.0028818 k( 36) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0028818 k( 37) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0028818 k( 38) = ( 0.0000000 0.4111111 0.0000000), wk = 0.0028818 k( 39) = ( 0.0000000 0.4222222 0.0000000), wk = 0.0028818 k( 40) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0028818 k( 41) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0028818 k( 42) = ( 0.0000000 0.4555556 0.0000000), wk = 0.0028818 k( 43) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0028818 k( 44) = ( 0.0000000 0.4777778 0.0000000), wk = 0.0028818 k( 45) = ( 0.0000000 0.4888889 0.0000000), wk = 0.0028818 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 48) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0028818 k( 49) = ( 0.0222222 0.5000000 0.0000000), wk = 0.0028818 k( 50) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0028818 k( 51) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0028818 k( 52) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0028818 k( 53) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0028818 k( 54) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0028818 k( 55) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0028818 k( 56) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0028818 k( 57) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0028818 k( 58) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0028818 k( 59) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0028818 k( 60) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0028818 k( 61) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0028818 k( 62) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0028818 k( 63) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0028818 k( 64) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0028818 k( 65) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0028818 k( 66) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0028818 k( 67) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0028818 k( 68) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0028818 k( 69) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0028818 k( 70) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0028818 k( 71) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0028818 k( 72) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0028818 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0028818 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028818 k( 75) = ( 0.3111111 0.5000000 0.0000000), wk = 0.0028818 k( 76) = ( 0.3222222 0.5000000 0.0000000), wk = 0.0028818 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0028818 k( 78) = ( 0.3444444 0.5000000 0.0000000), wk = 0.0028818 k( 79) = ( 0.3555556 0.5000000 0.0000000), wk = 0.0028818 k( 80) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0028818 k( 81) = ( 0.3777778 0.5000000 0.0000000), wk = 0.0028818 k( 82) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0028818 k( 83) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0028818 k( 84) = ( 0.4111111 0.5000000 0.0000000), wk = 0.0028818 k( 85) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0028818 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0028818 k( 87) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0028818 k( 88) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0028818 k( 89) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0028818 k( 90) = ( 0.4777778 0.5000000 0.0000000), wk = 0.0028818 k( 91) = ( 0.4888889 0.5000000 0.0000000), wk = 0.0028818 k( 92) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028818 k( 93) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028818 k( 94) = ( 0.4921875 0.4921875 0.0000000), wk = 0.0028818 k( 95) = ( 0.4843750 0.4843750 0.0000000), wk = 0.0028818 k( 96) = ( 0.4765625 0.4765625 0.0000000), wk = 0.0028818 k( 97) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0028818 k( 98) = ( 0.4609375 0.4609375 0.0000000), wk = 0.0028818 k( 99) = ( 0.4531250 0.4531250 0.0000000), wk = 0.0028818 k( 100) = ( 0.4453125 0.4453125 0.0000000), wk = 0.0028818 k( 101) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0028818 k( 102) = ( 0.4296875 0.4296875 0.0000000), wk = 0.0028818 k( 103) = ( 0.4218750 0.4218750 0.0000000), wk = 0.0028818 k( 104) = ( 0.4140625 0.4140625 0.0000000), wk = 0.0028818 k( 105) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0028818 k( 106) = ( 0.3984375 0.3984375 0.0000000), wk = 0.0028818 k( 107) = ( 0.3906250 0.3906250 0.0000000), wk = 0.0028818 k( 108) = ( 0.3828125 0.3828125 0.0000000), wk = 0.0028818 k( 109) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0028818 k( 110) = ( 0.3671875 0.3671875 0.0000000), wk = 0.0028818 k( 111) = ( 0.3593750 0.3593750 0.0000000), wk = 0.0028818 k( 112) = ( 0.3515625 0.3515625 0.0000000), wk = 0.0028818 k( 113) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0028818 k( 114) = ( 0.3359375 0.3359375 0.0000000), wk = 0.0028818 k( 115) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0028818 k( 116) = ( 0.3203125 0.3203125 0.0000000), wk = 0.0028818 k( 117) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0028818 k( 118) = ( 0.3046875 0.3046875 0.0000000), wk = 0.0028818 k( 119) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0028818 k( 120) = ( 0.2890625 0.2890625 0.0000000), wk = 0.0028818 k( 121) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0028818 k( 122) = ( 0.2734375 0.2734375 0.0000000), wk = 0.0028818 k( 123) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0028818 k( 124) = ( 0.2578125 0.2578125 0.0000000), wk = 0.0028818 k( 125) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028818 k( 126) = ( 0.2421875 0.2421875 0.0000000), wk = 0.0028818 k( 127) = ( 0.2343750 0.2343750 0.0000000), wk = 0.0028818 k( 128) = ( 0.2265625 0.2265625 0.0000000), wk = 0.0028818 k( 129) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0028818 k( 130) = ( 0.2109375 0.2109375 0.0000000), wk = 0.0028818 k( 131) = ( 0.2031250 0.2031250 0.0000000), wk = 0.0028818 k( 132) = ( 0.1953125 0.1953125 0.0000000), wk = 0.0028818 k( 133) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0028818 k( 134) = ( 0.1796875 0.1796875 0.0000000), wk = 0.0028818 k( 135) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0028818 k( 136) = ( 0.1640625 0.1640625 0.0000000), wk = 0.0028818 k( 137) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0028818 k( 138) = ( 0.1484375 0.1484375 0.0000000), wk = 0.0028818 k( 139) = ( 0.1406250 0.1406250 0.0000000), wk = 0.0028818 k( 140) = ( 0.1328125 0.1328125 0.0000000), wk = 0.0028818 k( 141) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028818 k( 142) = ( 0.1171875 0.1171875 0.0000000), wk = 0.0028818 k( 143) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0028818 k( 144) = ( 0.1015625 0.1015625 0.0000000), wk = 0.0028818 k( 145) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0028818 k( 146) = ( 0.0859375 0.0859375 0.0000000), wk = 0.0028818 k( 147) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0028818 k( 148) = ( 0.0703125 0.0703125 0.0000000), wk = 0.0028818 k( 149) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0028818 k( 150) = ( 0.0546875 0.0546875 0.0000000), wk = 0.0028818 k( 151) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0028818 k( 152) = ( 0.0390625 0.0390625 0.0000000), wk = 0.0028818 k( 153) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0028818 k( 154) = ( 0.0234375 0.0234375 0.0000000), wk = 0.0028818 k( 155) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0028818 k( 156) = ( 0.0078125 0.0078125 0.0000000), wk = 0.0028818 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 159) = ( 0.0064103 0.0064103 0.0064103), wk = 0.0028818 k( 160) = ( 0.0128205 0.0128205 0.0128205), wk = 0.0028818 k( 161) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0028818 k( 162) = ( 0.0256410 0.0256410 0.0256410), wk = 0.0028818 k( 163) = ( 0.0320513 0.0320513 0.0320513), wk = 0.0028818 k( 164) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0028818 k( 165) = ( 0.0448718 0.0448718 0.0448718), wk = 0.0028818 k( 166) = ( 0.0512821 0.0512821 0.0512821), wk = 0.0028818 k( 167) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0028818 k( 168) = ( 0.0641026 0.0641026 0.0641026), wk = 0.0028818 k( 169) = ( 0.0705128 0.0705128 0.0705128), wk = 0.0028818 k( 170) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0028818 k( 171) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0028818 k( 172) = ( 0.0897436 0.0897436 0.0897436), wk = 0.0028818 k( 173) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0028818 k( 174) = ( 0.1025641 0.1025641 0.1025641), wk = 0.0028818 k( 175) = ( 0.1089744 0.1089744 0.1089744), wk = 0.0028818 k( 176) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0028818 k( 177) = ( 0.1217949 0.1217949 0.1217949), wk = 0.0028818 k( 178) = ( 0.1282051 0.1282051 0.1282051), wk = 0.0028818 k( 179) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0028818 k( 180) = ( 0.1410256 0.1410256 0.1410256), wk = 0.0028818 k( 181) = ( 0.1474359 0.1474359 0.1474359), wk = 0.0028818 k( 182) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0028818 k( 183) = ( 0.1602564 0.1602564 0.1602564), wk = 0.0028818 k( 184) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028818 k( 185) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0028818 k( 186) = ( 0.1794872 0.1794872 0.1794872), wk = 0.0028818 k( 187) = ( 0.1858974 0.1858974 0.1858974), wk = 0.0028818 k( 188) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0028818 k( 189) = ( 0.1987180 0.1987180 0.1987180), wk = 0.0028818 k( 190) = ( 0.2051282 0.2051282 0.2051282), wk = 0.0028818 k( 191) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0028818 k( 192) = ( 0.2179487 0.2179487 0.2179487), wk = 0.0028818 k( 193) = ( 0.2243590 0.2243590 0.2243590), wk = 0.0028818 k( 194) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0028818 k( 195) = ( 0.2371795 0.2371795 0.2371795), wk = 0.0028818 k( 196) = ( 0.2435897 0.2435897 0.2435897), wk = 0.0028818 k( 197) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 k( 198) = ( 0.2564103 0.2564103 0.2564103), wk = 0.0028818 k( 199) = ( 0.2628205 0.2628205 0.2628205), wk = 0.0028818 k( 200) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0028818 k( 201) = ( 0.2756410 0.2756410 0.2756410), wk = 0.0028818 k( 202) = ( 0.2820513 0.2820513 0.2820513), wk = 0.0028818 k( 203) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0028818 k( 204) = ( 0.2948718 0.2948718 0.2948718), wk = 0.0028818 k( 205) = ( 0.3012821 0.3012821 0.3012821), wk = 0.0028818 k( 206) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0028818 k( 207) = ( 0.3141026 0.3141026 0.3141026), wk = 0.0028818 k( 208) = ( 0.3205128 0.3205128 0.3205128), wk = 0.0028818 k( 209) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0028818 k( 210) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028818 k( 211) = ( 0.3397436 0.3397436 0.3397436), wk = 0.0028818 k( 212) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0028818 k( 213) = ( 0.3525641 0.3525641 0.3525641), wk = 0.0028818 k( 214) = ( 0.3589744 0.3589744 0.3589744), wk = 0.0028818 k( 215) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0028818 k( 216) = ( 0.3717949 0.3717949 0.3717949), wk = 0.0028818 k( 217) = ( 0.3782051 0.3782051 0.3782051), wk = 0.0028818 k( 218) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0028818 k( 219) = ( 0.3910256 0.3910256 0.3910256), wk = 0.0028818 k( 220) = ( 0.3974359 0.3974359 0.3974359), wk = 0.0028818 k( 221) = ( 0.4038462 0.4038462 0.4038462), wk = 0.0028818 k( 222) = ( 0.4102564 0.4102564 0.4102564), wk = 0.0028818 k( 223) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0028818 k( 224) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0028818 k( 225) = ( 0.4294872 0.4294872 0.4294872), wk = 0.0028818 k( 226) = ( 0.4358974 0.4358974 0.4358974), wk = 0.0028818 k( 227) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0028818 k( 228) = ( 0.4487179 0.4487179 0.4487179), wk = 0.0028818 k( 229) = ( 0.4551282 0.4551282 0.4551282), wk = 0.0028818 k( 230) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0028818 k( 231) = ( 0.4679487 0.4679487 0.4679487), wk = 0.0028818 k( 232) = ( 0.4743590 0.4743590 0.4743590), wk = 0.0028818 k( 233) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0028818 k( 234) = ( 0.4871795 0.4871795 0.4871795), wk = 0.0028818 k( 235) = ( 0.4935897 0.4935897 0.4935897), wk = 0.0028818 k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 237) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 238) = ( 0.4921875 0.5000000 0.4921875), wk = 0.0028818 k( 239) = ( 0.4843750 0.5000000 0.4843750), wk = 0.0028818 k( 240) = ( 0.4765625 0.5000000 0.4765625), wk = 0.0028818 k( 241) = ( 0.4687500 0.5000000 0.4687500), wk = 0.0028818 k( 242) = ( 0.4609375 0.5000000 0.4609375), wk = 0.0028818 k( 243) = ( 0.4531250 0.5000000 0.4531250), wk = 0.0028818 k( 244) = ( 0.4453125 0.5000000 0.4453125), wk = 0.0028818 k( 245) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0028818 k( 246) = ( 0.4296875 0.5000000 0.4296875), wk = 0.0028818 k( 247) = ( 0.4218750 0.5000000 0.4218750), wk = 0.0028818 k( 248) = ( 0.4140625 0.5000000 0.4140625), wk = 0.0028818 k( 249) = ( 0.4062500 0.5000000 0.4062500), wk = 0.0028818 k( 250) = ( 0.3984375 0.5000000 0.3984375), wk = 0.0028818 k( 251) = ( 0.3906250 0.5000000 0.3906250), wk = 0.0028818 k( 252) = ( 0.3828125 0.5000000 0.3828125), wk = 0.0028818 k( 253) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0028818 k( 254) = ( 0.3671875 0.5000000 0.3671875), wk = 0.0028818 k( 255) = ( 0.3593750 0.5000000 0.3593750), wk = 0.0028818 k( 256) = ( 0.3515625 0.5000000 0.3515625), wk = 0.0028818 k( 257) = ( 0.3437500 0.5000000 0.3437500), wk = 0.0028818 k( 258) = ( 0.3359375 0.5000000 0.3359375), wk = 0.0028818 k( 259) = ( 0.3281250 0.5000000 0.3281250), wk = 0.0028818 k( 260) = ( 0.3203125 0.5000000 0.3203125), wk = 0.0028818 k( 261) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0028818 k( 262) = ( 0.3046875 0.5000000 0.3046875), wk = 0.0028818 k( 263) = ( 0.2968750 0.5000000 0.2968750), wk = 0.0028818 k( 264) = ( 0.2890625 0.5000000 0.2890625), wk = 0.0028818 k( 265) = ( 0.2812500 0.5000000 0.2812500), wk = 0.0028818 k( 266) = ( 0.2734375 0.5000000 0.2734375), wk = 0.0028818 k( 267) = ( 0.2656250 0.5000000 0.2656250), wk = 0.0028818 k( 268) = ( 0.2578125 0.5000000 0.2578125), wk = 0.0028818 k( 269) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0028818 k( 270) = ( 0.2421875 0.5000000 0.2421875), wk = 0.0028818 k( 271) = ( 0.2343750 0.5000000 0.2343750), wk = 0.0028818 k( 272) = ( 0.2265625 0.5000000 0.2265625), wk = 0.0028818 k( 273) = ( 0.2187500 0.5000000 0.2187500), wk = 0.0028818 k( 274) = ( 0.2109375 0.5000000 0.2109375), wk = 0.0028818 k( 275) = ( 0.2031250 0.5000000 0.2031250), wk = 0.0028818 k( 276) = ( 0.1953125 0.5000000 0.1953125), wk = 0.0028818 k( 277) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0028818 k( 278) = ( 0.1796875 0.5000000 0.1796875), wk = 0.0028818 k( 279) = ( 0.1718750 0.5000000 0.1718750), wk = 0.0028818 k( 280) = ( 0.1640625 0.5000000 0.1640625), wk = 0.0028818 k( 281) = ( 0.1562500 0.5000000 0.1562500), wk = 0.0028818 k( 282) = ( 0.1484375 0.5000000 0.1484375), wk = 0.0028818 k( 283) = ( 0.1406250 0.5000000 0.1406250), wk = 0.0028818 k( 284) = ( 0.1328125 0.5000000 0.1328125), wk = 0.0028818 k( 285) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0028818 k( 286) = ( 0.1171875 0.5000000 0.1171875), wk = 0.0028818 k( 287) = ( 0.1093750 0.5000000 0.1093750), wk = 0.0028818 k( 288) = ( 0.1015625 0.5000000 0.1015625), wk = 0.0028818 k( 289) = ( 0.0937500 0.5000000 0.0937500), wk = 0.0028818 k( 290) = ( 0.0859375 0.5000000 0.0859375), wk = 0.0028818 k( 291) = ( 0.0781250 0.5000000 0.0781250), wk = 0.0028818 k( 292) = ( 0.0703125 0.5000000 0.0703125), wk = 0.0028818 k( 293) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0028818 k( 294) = ( 0.0546875 0.5000000 0.0546875), wk = 0.0028818 k( 295) = ( 0.0468750 0.5000000 0.0468750), wk = 0.0028818 k( 296) = ( 0.0390625 0.5000000 0.0390625), wk = 0.0028818 k( 297) = ( 0.0312500 0.5000000 0.0312500), wk = 0.0028818 k( 298) = ( 0.0234375 0.5000000 0.0234375), wk = 0.0028818 k( 299) = ( 0.0156250 0.5000000 0.0156250), wk = 0.0028818 k( 300) = ( 0.0078125 0.5000000 0.0078125), wk = 0.0028818 k( 301) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 302) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028818 k( 303) = ( 0.5000000 0.5000000 0.0111111), wk = 0.0028818 k( 304) = ( 0.5000000 0.5000000 0.0222222), wk = 0.0028818 k( 305) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0028818 k( 306) = ( 0.5000000 0.5000000 0.0444444), wk = 0.0028818 k( 307) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0028818 k( 308) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0028818 k( 309) = ( 0.5000000 0.5000000 0.0777778), wk = 0.0028818 k( 310) = ( 0.5000000 0.5000000 0.0888889), wk = 0.0028818 k( 311) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0028818 k( 312) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0028818 k( 313) = ( 0.5000000 0.5000000 0.1222222), wk = 0.0028818 k( 314) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0028818 k( 315) = ( 0.5000000 0.5000000 0.1444444), wk = 0.0028818 k( 316) = ( 0.5000000 0.5000000 0.1555556), wk = 0.0028818 k( 317) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028818 k( 318) = ( 0.5000000 0.5000000 0.1777778), wk = 0.0028818 k( 319) = ( 0.5000000 0.5000000 0.1888889), wk = 0.0028818 k( 320) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0028818 k( 321) = ( 0.5000000 0.5000000 0.2111111), wk = 0.0028818 k( 322) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0028818 k( 323) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0028818 k( 324) = ( 0.5000000 0.5000000 0.2444444), wk = 0.0028818 k( 325) = ( 0.5000000 0.5000000 0.2555556), wk = 0.0028818 k( 326) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0028818 k( 327) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0028818 k( 328) = ( 0.5000000 0.5000000 0.2888889), wk = 0.0028818 k( 329) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0028818 k( 330) = ( 0.5000000 0.5000000 0.3111111), wk = 0.0028818 k( 331) = ( 0.5000000 0.5000000 0.3222222), wk = 0.0028818 k( 332) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028818 k( 333) = ( 0.5000000 0.5000000 0.3444444), wk = 0.0028818 k( 334) = ( 0.5000000 0.5000000 0.3555556), wk = 0.0028818 k( 335) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0028818 k( 336) = ( 0.5000000 0.5000000 0.3777778), wk = 0.0028818 k( 337) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0028818 k( 338) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0028818 k( 339) = ( 0.5000000 0.5000000 0.4111111), wk = 0.0028818 k( 340) = ( 0.5000000 0.5000000 0.4222222), wk = 0.0028818 k( 341) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0028818 k( 342) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0028818 k( 343) = ( 0.5000000 0.5000000 0.4555556), wk = 0.0028818 k( 344) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0028818 k( 345) = ( 0.5000000 0.5000000 0.4777778), wk = 0.0028818 k( 346) = ( 0.5000000 0.5000000 0.4888889), wk = 0.0028818 k( 347) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 Dense grid: 17845 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 11459 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 92, 42) NL pseudopotentials 0.10 Mb ( 46, 136) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 497) G-vector shells 0.00 Mb ( 149) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 92, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.17 Mb ( 136, 2, 42) The potential is recalculated from file : ./SiNi3.save/charge-density.dat Starting wfc are 62 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 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.6 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.2 secs Computing kpt #: 10 total cpu time spent up to now is 4.4 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.2 secs Computing kpt #: 14 total cpu time spent up to now is 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.8 secs Computing kpt #: 16 total cpu time spent up to now is 6.0 secs Computing kpt #: 17 total cpu time spent up to now is 6.3 secs Computing kpt #: 18 total cpu time spent up to now is 6.6 secs Computing kpt #: 19 total cpu time spent up to now is 6.8 secs Computing kpt #: 20 total cpu time spent up to now is 7.1 secs Computing kpt #: 21 total cpu time spent up to now is 7.3 secs Computing kpt #: 22 total cpu time spent up to now is 7.6 secs Computing kpt #: 23 total cpu time spent up to now is 7.9 secs Computing kpt #: 24 total cpu time spent up to now is 8.1 secs Computing kpt #: 25 total cpu time spent up to now is 8.3 secs Computing kpt #: 26 total cpu time spent up to now is 8.6 secs Computing kpt #: 27 total cpu time spent up to now is 8.8 secs Computing kpt #: 28 total cpu time spent up to now is 9.1 secs Computing kpt #: 29 total cpu time spent up to now is 9.3 secs Computing kpt #: 30 total cpu time spent up to now is 9.6 secs Computing kpt #: 31 total cpu time spent up to now is 9.8 secs Computing kpt #: 32 total cpu time spent up to now is 10.1 secs Computing kpt #: 33 total cpu time spent up to now is 10.3 secs Computing kpt #: 34 total cpu time spent up to now is 10.6 secs Computing kpt #: 35 total cpu time spent up to now is 10.8 secs Computing kpt #: 36 total cpu time spent up to now is 11.1 secs Computing kpt #: 37 total cpu time spent up to now is 11.5 secs Computing kpt #: 38 total cpu time spent up to now is 11.7 secs Computing kpt #: 39 total cpu time spent up to now is 11.9 secs Computing kpt #: 40 total cpu time spent up to now is 12.2 secs Computing kpt #: 41 total cpu time spent up to now is 12.4 secs Computing kpt #: 42 total cpu time spent up to now is 12.6 secs Computing kpt #: 43 total cpu time spent up to now is 12.8 secs Computing kpt #: 44 total cpu time spent up to now is 13.0 secs Computing kpt #: 45 total cpu time spent up to now is 13.3 secs Computing kpt #: 46 total cpu time spent up to now is 13.5 secs Computing kpt #: 47 total cpu time spent up to now is 13.7 secs Computing kpt #: 48 total cpu time spent up to now is 13.9 secs Computing kpt #: 49 total cpu time spent up to now is 14.2 secs Computing kpt #: 50 total cpu time spent up to now is 14.4 secs Computing kpt #: 51 total cpu time spent up to now is 14.7 secs Computing kpt #: 52 total cpu time spent up to now is 14.9 secs Computing kpt #: 53 total cpu time spent up to now is 15.1 secs Computing kpt #: 54 total cpu time spent up to now is 15.4 secs Computing kpt #: 55 total cpu time spent up to now is 15.6 secs Computing kpt #: 56 total cpu time spent up to now is 15.9 secs Computing kpt #: 57 total cpu time spent up to now is 16.1 secs Computing kpt #: 58 total cpu time spent up to now is 16.3 secs Computing kpt #: 59 total cpu time spent up to now is 16.5 secs Computing kpt #: 60 total cpu time spent up to now is 16.8 secs Computing kpt #: 61 total cpu time spent up to now is 17.0 secs Computing kpt #: 62 total cpu time spent up to now is 17.3 secs Computing kpt #: 63 total cpu time spent up to now is 17.5 secs Computing kpt #: 64 total cpu time spent up to now is 17.7 secs Computing kpt #: 65 total cpu time spent up to now is 18.0 secs Computing kpt #: 66 total cpu time spent up to now is 18.2 secs Computing kpt #: 67 total cpu time spent up to now is 18.4 secs Computing kpt #: 68 total cpu time spent up to now is 18.6 secs Computing kpt #: 69 total cpu time spent up to now is 18.8 secs Computing kpt #: 70 total cpu time spent up to now is 19.1 secs Computing kpt #: 71 total cpu time spent up to now is 19.3 secs Computing kpt #: 72 total cpu time spent up to now is 19.5 secs Computing kpt #: 73 total cpu time spent up to now is 19.7 secs Computing kpt #: 74 total cpu time spent up to now is 19.9 secs Computing kpt #: 75 total cpu time spent up to now is 20.1 secs Computing kpt #: 76 total cpu time spent up to now is 20.3 secs Computing kpt #: 77 total cpu time spent up to now is 20.5 secs Computing kpt #: 78 total cpu time spent up to now is 20.7 secs Computing kpt #: 79 total cpu time spent up to now is 20.9 secs Computing kpt #: 80 total cpu time spent up to now is 21.1 secs Computing kpt #: 81 total cpu time spent up to now is 21.3 secs Computing kpt #: 82 total cpu time spent up to now is 21.5 secs Computing kpt #: 83 total cpu time spent up to now is 21.7 secs Computing kpt #: 84 total cpu time spent up to now is 21.9 secs Computing kpt #: 85 total cpu time spent up to now is 22.1 secs Computing kpt #: 86 total cpu time spent up to now is 22.3 secs Computing kpt #: 87 total cpu time spent up to now is 22.5 secs Computing kpt #: 88 total cpu time spent up to now is 22.7 secs Computing kpt #: 89 total cpu time spent up to now is 22.9 secs Computing kpt #: 90 total cpu time spent up to now is 23.1 secs Computing kpt #: 91 total cpu time spent up to now is 23.3 secs Computing kpt #: 92 total cpu time spent up to now is 23.4 secs Computing kpt #: 93 total cpu time spent up to now is 23.6 secs Computing kpt #: 94 total cpu time spent up to now is 23.8 secs Computing kpt #: 95 total cpu time spent up to now is 24.0 secs Computing kpt #: 96 total cpu time spent up to now is 24.2 secs Computing kpt #: 97 total cpu time spent up to now is 24.4 secs Computing kpt #: 98 total cpu time spent up to now is 24.6 secs Computing kpt #: 99 total cpu time spent up to now is 24.8 secs Computing kpt #: 100 total cpu time spent up to now is 25.0 secs Computing kpt #: 101 total cpu time spent up to now is 25.2 secs Computing kpt #: 102 total cpu time spent up to now is 25.3 secs Computing kpt #: 103 total cpu time spent up to now is 25.5 secs Computing kpt #: 104 total cpu time spent up to now is 25.7 secs Computing kpt #: 105 total cpu time spent up to now is 25.9 secs Computing kpt #: 106 total cpu time spent up to now is 26.1 secs Computing kpt #: 107 total cpu time spent up to now is 26.3 secs Computing kpt #: 108 total cpu time spent up to now is 26.5 secs Computing kpt #: 109 total cpu time spent up to now is 26.7 secs Computing kpt #: 110 total cpu time spent up to now is 26.9 secs Computing kpt #: 111 total cpu time spent up to now is 27.1 secs Computing kpt #: 112 total cpu time spent up to now is 27.3 secs Computing kpt #: 113 total cpu time spent up to now is 27.4 secs Computing kpt #: 114 total cpu time spent up to now is 27.6 secs Computing kpt #: 115 total cpu time spent up to now is 27.8 secs Computing kpt #: 116 total cpu time spent up to now is 28.0 secs Computing kpt #: 117 total cpu time spent up to now is 28.2 secs Computing kpt #: 118 total cpu time spent up to now is 28.4 secs Computing kpt #: 119 total cpu time spent up to now is 28.6 secs Computing kpt #: 120 total cpu time spent up to now is 28.8 secs Computing kpt #: 121 total cpu time spent up to now is 29.0 secs Computing kpt #: 122 total cpu time spent up to now is 29.2 secs Computing kpt #: 123 total cpu time spent up to now is 29.4 secs Computing kpt #: 124 total cpu time spent up to now is 29.6 secs Computing kpt #: 125 total cpu time spent up to now is 29.8 secs Computing kpt #: 126 total cpu time spent up to now is 30.0 secs Computing kpt #: 127 total cpu time spent up to now is 30.2 secs Computing kpt #: 128 total cpu time spent up to now is 30.5 secs Computing kpt #: 129 total cpu time spent up to now is 30.7 secs Computing kpt #: 130 total cpu time spent up to now is 30.9 secs Computing kpt #: 131 total cpu time spent up to now is 31.1 secs Computing kpt #: 132 total cpu time spent up to now is 31.3 secs Computing kpt #: 133 total cpu time spent up to now is 31.5 secs Computing kpt #: 134 total cpu time spent up to now is 31.8 secs Computing kpt #: 135 total cpu time spent up to now is 32.0 secs Computing kpt #: 136 total cpu time spent up to now is 32.2 secs Computing kpt #: 137 total cpu time spent up to now is 32.5 secs Computing kpt #: 138 total cpu time spent up to now is 32.8 secs Computing kpt #: 139 total cpu time spent up to now is 33.1 secs Computing kpt #: 140 total cpu time spent up to now is 33.3 secs Computing kpt #: 141 total cpu time spent up to now is 33.6 secs Computing kpt #: 142 total cpu time spent up to now is 33.8 secs Computing kpt #: 143 total cpu time spent up to now is 34.0 secs Computing kpt #: 144 total cpu time spent up to now is 34.3 secs Computing kpt #: 145 total cpu time spent up to now is 34.5 secs Computing kpt #: 146 total cpu time spent up to now is 34.7 secs Computing kpt #: 147 total cpu time spent up to now is 35.0 secs Computing kpt #: 148 total cpu time spent up to now is 35.2 secs Computing kpt #: 149 total cpu time spent up to now is 35.5 secs Computing kpt #: 150 total cpu time spent up to now is 35.7 secs Computing kpt #: 151 total cpu time spent up to now is 36.0 secs Computing kpt #: 152 total cpu time spent up to now is 36.3 secs Computing kpt #: 153 total cpu time spent up to now is 36.5 secs Computing kpt #: 154 total cpu time spent up to now is 36.8 secs Computing kpt #: 155 total cpu time spent up to now is 37.0 secs Computing kpt #: 156 total cpu time spent up to now is 37.3 secs Computing kpt #: 157 total cpu time spent up to now is 37.5 secs Computing kpt #: 158 total cpu time spent up to now is 37.7 secs Computing kpt #: 159 total cpu time spent up to now is 37.9 secs Computing kpt #: 160 total cpu time spent up to now is 38.1 secs Computing kpt #: 161 total cpu time spent up to now is 38.3 secs Computing kpt #: 162 total cpu time spent up to now is 38.6 secs Computing kpt #: 163 total cpu time spent up to now is 38.9 secs Computing kpt #: 164 total cpu time spent up to now is 39.2 secs Computing kpt #: 165 total cpu time spent up to now is 39.5 secs Computing kpt #: 166 total cpu time spent up to now is 39.7 secs Computing kpt #: 167 total cpu time spent up to now is 40.0 secs Computing kpt #: 168 total cpu time spent up to now is 40.3 secs Computing kpt #: 169 total cpu time spent up to now is 40.6 secs Computing kpt #: 170 total cpu time spent up to now is 40.9 secs Computing kpt #: 171 total cpu time spent up to now is 41.1 secs Computing kpt #: 172 total cpu time spent up to now is 41.4 secs Computing kpt #: 173 total cpu time spent up to now is 41.7 secs Computing kpt #: 174 total cpu time spent up to now is 42.1 secs Computing kpt #: 175 total cpu time spent up to now is 42.3 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.2 secs Computing kpt #: 177 total cpu time spent up to now is 43.7 secs Computing kpt #: 178 total cpu time spent up to now is 44.1 secs Computing kpt #: 179 total cpu time spent up to now is 44.5 secs Computing kpt #: 180 total cpu time spent up to now is 44.9 secs Computing kpt #: 181 total cpu time spent up to now is 45.2 secs Computing kpt #: 182 total cpu time spent up to now is 45.4 secs Computing kpt #: 183 total cpu time spent up to now is 45.7 secs Computing kpt #: 184 total cpu time spent up to now is 45.9 secs Computing kpt #: 185 total cpu time spent up to now is 46.2 secs Computing kpt #: 186 total cpu time spent up to now is 46.5 secs Computing kpt #: 187 total cpu time spent up to now is 46.7 secs Computing kpt #: 188 total cpu time spent up to now is 47.1 secs Computing kpt #: 189 total cpu time spent up to now is 47.5 secs Computing kpt #: 190 total cpu time spent up to now is 47.8 secs Computing kpt #: 191 total cpu time spent up to now is 48.1 secs Computing kpt #: 192 total cpu time spent up to now is 48.3 secs Computing kpt #: 193 total cpu time spent up to now is 48.6 secs Computing kpt #: 194 total cpu time spent up to now is 48.9 secs Computing kpt #: 195 total cpu time spent up to now is 49.2 secs Computing kpt #: 196 total cpu time spent up to now is 49.4 secs Computing kpt #: 197 total cpu time spent up to now is 49.7 secs Computing kpt #: 198 total cpu time spent up to now is 49.9 secs Computing kpt #: 199 total cpu time spent up to now is 50.2 secs Computing kpt #: 200 total cpu time spent up to now is 50.4 secs Computing kpt #: 201 total cpu time spent up to now is 50.7 secs Computing kpt #: 202 total cpu time spent up to now is 50.9 secs Computing kpt #: 203 total cpu time spent up to now is 51.2 secs Computing kpt #: 204 total cpu time spent up to now is 51.4 secs Computing kpt #: 205 total cpu time spent up to now is 51.7 secs Computing kpt #: 206 total cpu time spent up to now is 51.9 secs Computing kpt #: 207 total cpu time spent up to now is 52.1 secs Computing kpt #: 208 total cpu time spent up to now is 52.4 secs Computing kpt #: 209 total cpu time spent up to now is 52.6 secs Computing kpt #: 210 total cpu time spent up to now is 52.9 secs Computing kpt #: 211 total cpu time spent up to now is 53.1 secs Computing kpt #: 212 total cpu time spent up to now is 53.3 secs Computing kpt #: 213 total cpu time spent up to now is 53.6 secs Computing kpt #: 214 total cpu time spent up to now is 53.8 secs Computing kpt #: 215 total cpu time spent up to now is 54.1 secs Computing kpt #: 216 total cpu time spent up to now is 54.3 secs Computing kpt #: 217 total cpu time spent up to now is 54.5 secs Computing kpt #: 218 total cpu time spent up to now is 54.8 secs Computing kpt #: 219 total cpu time spent up to now is 55.0 secs Computing kpt #: 220 total cpu time spent up to now is 55.3 secs Computing kpt #: 221 total cpu time spent up to now is 55.5 secs Computing kpt #: 222 total cpu time spent up to now is 55.7 secs Computing kpt #: 223 total cpu time spent up to now is 56.0 secs Computing kpt #: 224 total cpu time spent up to now is 56.2 secs Computing kpt #: 225 total cpu time spent up to now is 56.5 secs Computing kpt #: 226 total cpu time spent up to now is 56.7 secs Computing kpt #: 227 total cpu time spent up to now is 56.9 secs Computing kpt #: 228 total cpu time spent up to now is 57.2 secs Computing kpt #: 229 total cpu time spent up to now is 57.4 secs Computing kpt #: 230 total cpu time spent up to now is 57.6 secs Computing kpt #: 231 total cpu time spent up to now is 57.9 secs Computing kpt #: 232 total cpu time spent up to now is 58.1 secs Computing kpt #: 233 total cpu time spent up to now is 58.4 secs Computing kpt #: 234 total cpu time spent up to now is 58.6 secs Computing kpt #: 235 total cpu time spent up to now is 58.9 secs Computing kpt #: 236 total cpu time spent up to now is 59.1 secs Computing kpt #: 237 total cpu time spent up to now is 59.4 secs Computing kpt #: 238 total cpu time spent up to now is 59.6 secs Computing kpt #: 239 total cpu time spent up to now is 59.8 secs Computing kpt #: 240 total cpu time spent up to now is 60.1 secs Computing kpt #: 241 total cpu time spent up to now is 60.3 secs Computing kpt #: 242 total cpu time spent up to now is 60.6 secs Computing kpt #: 243 total cpu time spent up to now is 60.8 secs Computing kpt #: 244 total cpu time spent up to now is 61.0 secs Computing kpt #: 245 total cpu time spent up to now is 61.3 secs Computing kpt #: 246 total cpu time spent up to now is 61.5 secs Computing kpt #: 247 total cpu time spent up to now is 61.7 secs Computing kpt #: 248 total cpu time spent up to now is 61.9 secs Computing kpt #: 249 total cpu time spent up to now is 62.2 secs Computing kpt #: 250 total cpu time spent up to now is 62.4 secs Computing kpt #: 251 total cpu time spent up to now is 62.6 secs Computing kpt #: 252 total cpu time spent up to now is 62.8 secs Computing kpt #: 253 total cpu time spent up to now is 63.0 secs Computing kpt #: 254 total cpu time spent up to now is 63.2 secs Computing kpt #: 255 total cpu time spent up to now is 63.4 secs Computing kpt #: 256 total cpu time spent up to now is 63.7 secs Computing kpt #: 257 total cpu time spent up to now is 63.9 secs Computing kpt #: 258 total cpu time spent up to now is 64.1 secs Computing kpt #: 259 total cpu time spent up to now is 64.3 secs Computing kpt #: 260 total cpu time spent up to now is 64.5 secs Computing kpt #: 261 total cpu time spent up to now is 64.7 secs Computing kpt #: 262 total cpu time spent up to now is 64.8 secs Computing kpt #: 263 total cpu time spent up to now is 65.0 secs Computing kpt #: 264 total cpu time spent up to now is 65.2 secs Computing kpt #: 265 total cpu time spent up to now is 65.4 secs Computing kpt #: 266 total cpu time spent up to now is 65.6 secs Computing kpt #: 267 total cpu time spent up to now is 65.8 secs Computing kpt #: 268 total cpu time spent up to now is 66.0 secs Computing kpt #: 269 total cpu time spent up to now is 66.2 secs Computing kpt #: 270 total cpu time spent up to now is 66.4 secs Computing kpt #: 271 total cpu time spent up to now is 66.5 secs Computing kpt #: 272 total cpu time spent up to now is 66.7 secs Computing kpt #: 273 total cpu time spent up to now is 66.9 secs Computing kpt #: 274 total cpu time spent up to now is 67.1 secs Computing kpt #: 275 total cpu time spent up to now is 67.3 secs Computing kpt #: 276 total cpu time spent up to now is 67.4 secs Computing kpt #: 277 total cpu time spent up to now is 67.6 secs Computing kpt #: 278 total cpu time spent up to now is 67.8 secs Computing kpt #: 279 total cpu time spent up to now is 68.0 secs Computing kpt #: 280 total cpu time spent up to now is 68.2 secs Computing kpt #: 281 total cpu time spent up to now is 68.4 secs Computing kpt #: 282 total cpu time spent up to now is 68.6 secs Computing kpt #: 283 total cpu time spent up to now is 68.7 secs Computing kpt #: 284 total cpu time spent up to now is 68.9 secs Computing kpt #: 285 total cpu time spent up to now is 69.1 secs Computing kpt #: 286 total cpu time spent up to now is 69.3 secs Computing kpt #: 287 total cpu time spent up to now is 69.5 secs Computing kpt #: 288 total cpu time spent up to now is 69.7 secs Computing kpt #: 289 total cpu time spent up to now is 69.9 secs Computing kpt #: 290 total cpu time spent up to now is 70.1 secs Computing kpt #: 291 total cpu time spent up to now is 70.3 secs Computing kpt #: 292 total cpu time spent up to now is 70.5 secs Computing kpt #: 293 total cpu time spent up to now is 70.8 secs Computing kpt #: 294 total cpu time spent up to now is 71.0 secs Computing kpt #: 295 total cpu time spent up to now is 71.2 secs Computing kpt #: 296 total cpu time spent up to now is 71.4 secs Computing kpt #: 297 total cpu time spent up to now is 71.7 secs Computing kpt #: 298 total cpu time spent up to now is 71.9 secs Computing kpt #: 299 total cpu time spent up to now is 72.1 secs Computing kpt #: 300 total cpu time spent up to now is 72.4 secs Computing kpt #: 301 total cpu time spent up to now is 72.6 secs Computing kpt #: 302 total cpu time spent up to now is 72.8 secs Computing kpt #: 303 total cpu time spent up to now is 72.9 secs Computing kpt #: 304 total cpu time spent up to now is 73.1 secs Computing kpt #: 305 total cpu time spent up to now is 73.3 secs Computing kpt #: 306 total cpu time spent up to now is 73.5 secs Computing kpt #: 307 total cpu time spent up to now is 73.8 secs Computing kpt #: 308 total cpu time spent up to now is 74.2 secs Computing kpt #: 309 total cpu time spent up to now is 74.7 secs Computing kpt #: 310 total cpu time spent up to now is 75.2 secs Computing kpt #: 311 total cpu time spent up to now is 75.5 secs Computing kpt #: 312 total cpu time spent up to now is 75.8 secs Computing kpt #: 313 total cpu time spent up to now is 76.1 secs Computing kpt #: 314 total cpu time spent up to now is 76.4 secs Computing kpt #: 315 total cpu time spent up to now is 76.6 secs Computing kpt #: 316 total cpu time spent up to now is 76.9 secs Computing kpt #: 317 total cpu time spent up to now is 77.2 secs Computing kpt #: 318 total cpu time spent up to now is 77.4 secs Computing kpt #: 319 total cpu time spent up to now is 77.7 secs Computing kpt #: 320 total cpu time spent up to now is 77.9 secs Computing kpt #: 321 total cpu time spent up to now is 78.2 secs Computing kpt #: 322 total cpu time spent up to now is 78.5 secs Computing kpt #: 323 total cpu time spent up to now is 78.7 secs Computing kpt #: 324 total cpu time spent up to now is 79.0 secs Computing kpt #: 325 total cpu time spent up to now is 79.2 secs Computing kpt #: 326 total cpu time spent up to now is 79.5 secs Computing kpt #: 327 total cpu time spent up to now is 79.7 secs Computing kpt #: 328 total cpu time spent up to now is 79.9 secs Computing kpt #: 329 total cpu time spent up to now is 80.2 secs Computing kpt #: 330 total cpu time spent up to now is 80.4 secs Computing kpt #: 331 total cpu time spent up to now is 80.7 secs Computing kpt #: 332 total cpu time spent up to now is 80.9 secs Computing kpt #: 333 total cpu time spent up to now is 81.2 secs Computing kpt #: 334 total cpu time spent up to now is 81.4 secs Computing kpt #: 335 total cpu time spent up to now is 81.6 secs Computing kpt #: 336 total cpu time spent up to now is 81.9 secs Computing kpt #: 337 total cpu time spent up to now is 82.1 secs Computing kpt #: 338 total cpu time spent up to now is 82.4 secs Computing kpt #: 339 total cpu time spent up to now is 82.6 secs Computing kpt #: 340 total cpu time spent up to now is 82.9 secs Computing kpt #: 341 total cpu time spent up to now is 83.1 secs Computing kpt #: 342 total cpu time spent up to now is 83.3 secs Computing kpt #: 343 total cpu time spent up to now is 83.6 secs Computing kpt #: 344 total cpu time spent up to now is 83.8 secs Computing kpt #: 345 total cpu time spent up to now is 84.1 secs Computing kpt #: 346 total cpu time spent up to now is 84.3 secs Computing kpt #: 347 total cpu time spent up to now is 84.6 secs ethr = 2.94E-08, avg # of iterations = 18.7 total cpu time spent up to now is 84.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1365 PWs) bands (ev): 2.0823 2.0823 9.1567 9.1567 10.0079 10.0079 10.0079 10.0079 10.5265 10.5265 10.5498 10.5498 10.5498 10.5498 12.5284 12.5284 12.5284 12.5284 12.6328 12.6328 13.1467 13.1467 13.1467 13.1467 13.1467 13.1467 13.4854 13.4854 13.4854 13.4854 13.8387 13.8387 14.1038 14.1038 14.1879 14.1879 14.1879 14.1879 18.9012 18.9012 20.4036 20.4036 k = 0.0000 0.0111-0.0000 ( 1374 PWs) bands (ev): 2.0838 2.0838 9.1571 9.1571 10.0056 10.0056 10.0089 10.0089 10.5264 10.5264 10.5495 10.5495 10.5500 10.5500 12.5240 12.5240 12.5265 12.5265 12.6292 12.6292 13.1409 13.1409 13.1499 13.1499 13.1508 13.1508 13.4855 13.4855 13.4862 13.4862 13.8379 13.8379 14.1053 14.1053 14.1887 14.1887 14.1899 14.1899 18.9056 18.9056 20.4032 20.4032 k = 0.0000 0.0222-0.0000 ( 1382 PWs) bands (ev): 2.0881 2.0881 9.1583 9.1583 9.9990 9.9990 10.0119 10.0119 10.5264 10.5264 10.5491 10.5491 10.5505 10.5505 12.5110 12.5110 12.5204 12.5204 12.6196 12.6196 13.1240 13.1240 13.1589 13.1589 13.1623 13.1623 13.4857 13.4857 13.4885 13.4885 13.8360 13.8360 14.1100 14.1100 14.1916 14.1916 14.1961 14.1961 18.9185 18.9185 20.4023 20.4023 k = 0.0000 0.0333-0.0000 ( 1390 PWs) bands (ev): 2.0954 2.0954 9.1602 9.1602 9.9879 9.9879 10.0171 10.0171 10.5263 10.5263 10.5484 10.5484 10.5518 10.5518 12.4908 12.4908 12.5092 12.5092 12.6062 12.6062 13.0971 13.0971 13.1726 13.1726 13.1796 13.1796 13.4862 13.4862 13.4914 13.4914 13.8328 13.8328 14.1172 14.1172 14.1973 14.1973 14.2070 14.2070 18.9393 18.9393 20.4008 20.4008 k = 0.0000 0.0444-0.0000 ( 1390 PWs) bands (ev): 2.1055 2.1055 9.1628 9.1628 9.9726 9.9726 10.0244 10.0244 10.5262 10.5262 10.5476 10.5476 10.5540 10.5540 12.4647 12.4647 12.4919 12.4919 12.5920 12.5920 13.0617 13.0617 13.1894 13.1894 13.2007 13.2007 13.4869 13.4869 13.4942 13.4942 13.8286 13.8286 14.1258 14.1258 14.2074 14.2074 14.2227 14.2227 18.9670 18.9670 20.3987 20.3987 k = 0.0000 0.0556-0.0000 ( 1390 PWs) bands (ev): 2.1185 2.1185 9.1658 9.1658 9.9531 9.9531 10.0338 10.0338 10.5257 10.5257 10.5465 10.5465 10.5569 10.5569 12.4340 12.4340 12.4682 12.4682 12.5789 12.5789 13.0194 13.0194 13.2075 13.2075 13.2234 13.2234 13.4879 13.4879 13.4960 13.4960 13.8232 13.8232 14.1340 14.1340 14.2237 14.2237 14.2435 14.2435 19.0000 19.0000 20.3959 20.3959 k = 0.0000 0.0667-0.0000 ( 1390 PWs) bands (ev): 2.1344 2.1344 9.1689 9.1689 9.9293 9.9293 10.0451 10.0451 10.5248 10.5248 10.5452 10.5452 10.5609 10.5609 12.4002 12.4002 12.4392 12.4392 12.5675 12.5675 12.9717 12.9717 13.2255 13.2255 13.2461 13.2461 13.4892 13.4892 13.4964 13.4964 13.8167 13.8167 14.1407 14.1407 14.2476 14.2476 14.2697 14.2697 19.0368 19.0368 20.3926 20.3926 k = 0.0000 0.0778-0.0000 ( 1390 PWs) bands (ev): 2.1532 2.1532 9.1718 9.1718 9.9017 9.9017 10.0585 10.0585 10.5234 10.5234 10.5436 10.5436 10.5657 10.5657 12.3644 12.3644 12.4064 12.4064 12.5573 12.5573 12.9200 12.9200 13.2421 13.2421 13.2672 13.2672 13.4906 13.4906 13.4950 13.4950 13.8089 13.8089 14.1455 14.1455 14.2795 14.2795 14.3018 14.3018 19.0758 19.0758 20.3887 20.3887 k = 0.0000 0.0889-0.0000 ( 1394 PWs) bands (ev): 2.1748 2.1748 9.1738 9.1738 9.8704 9.8704 10.0737 10.0737 10.5216 10.5216 10.5417 10.5417 10.5716 10.5716 12.3273 12.3273 12.3715 12.3715 12.5475 12.5475 12.8655 12.8655 13.2563 13.2563 13.2856 13.2856 13.4915 13.4915 13.4922 13.4922 13.7998 13.7998 14.1489 14.1489 14.3191 14.3191 14.3399 14.3399 19.1151 19.1151 20.3841 20.3841 k = 0.0000 0.1000-0.0000 ( 1394 PWs) bands (ev): 2.1993 2.1993 9.1743 9.1743 9.8362 9.8362 10.0911 10.0911 10.5193 10.5193 10.5394 10.5394 10.5783 10.5783 12.2898 12.2898 12.3356 12.3356 12.5378 12.5378 12.8094 12.8094 13.2676 13.2676 13.3008 13.3008 13.4862 13.4862 13.4938 13.4938 13.7897 13.7897 14.1512 14.1512 14.3659 14.3659 14.3843 14.3843 19.1535 19.1535 20.3790 20.3790 k = 0.0000 0.1111-0.0000 ( 1390 PWs) bands (ev): 2.2265 2.2265 9.1721 9.1721 9.8000 9.8000 10.1103 10.1103 10.5166 10.5166 10.5369 10.5369 10.5860 10.5860 12.2526 12.2526 12.2996 12.2996 12.5280 12.5280 12.7528 12.7528 13.2756 13.2756 13.3124 13.3124 13.4791 13.4791 13.4954 13.4954 13.7785 13.7785 14.1529 14.1529 14.4193 14.4193 14.4348 14.4348 19.1896 19.1896 20.3733 20.3733 k = 0.0000 0.1222-0.0000 ( 1402 PWs) bands (ev): 2.2566 2.2566 9.1657 9.1657 9.7630 9.7630 10.1314 10.1314 10.5128 10.5128 10.5334 10.5334 10.5944 10.5944 12.2157 12.2157 12.2638 12.2638 12.5175 12.5175 12.6965 12.6965 13.2801 13.2801 13.3201 13.3201 13.4700 13.4700 13.4968 13.4968 13.7661 13.7661 14.1539 14.1539 14.4789 14.4789 14.4911 14.4911 19.2227 19.2227 20.3670 20.3670 k = 0.0000 0.1333-0.0000 ( 1402 PWs) bands (ev): 2.2895 2.2895 9.1534 9.1534 9.7273 9.7273 10.1543 10.1543 10.5091 10.5091 10.5301 10.5301 10.6036 10.6036 12.1798 12.1798 12.2290 12.2290 12.5066 12.5066 12.6413 12.6413 13.2812 13.2812 13.3243 13.3243 13.4592 13.4592 13.4979 13.4979 13.7528 13.7528 14.1548 14.1548 14.5443 14.5443 14.5535 14.5535 19.2523 19.2523 20.3602 20.3602 k = 0.0000 0.1444-0.0000 ( 1410 PWs) bands (ev): 2.3251 2.3251 9.1328 9.1328 9.6949 9.6949 10.1791 10.1791 10.5048 10.5048 10.5263 10.5263 10.6132 10.6132 12.1450 12.1450 12.1953 12.1953 12.4950 12.4950 12.5881 12.5881 13.2788 13.2788 13.3247 13.3247 13.4466 13.4466 13.4984 13.4984 13.7383 13.7383 14.1555 14.1555 14.6149 14.6149 14.6212 14.6212 19.2781 19.2781 20.3528 20.3528 k = 0.0000 0.1556-0.0000 ( 1414 PWs) bands (ev): 2.3634 2.3634 9.1017 9.1017 9.6682 9.6682 10.2055 10.2055 10.5002 10.5002 10.5222 10.5222 10.6239 10.6239 12.1118 12.1118 12.1631 12.1631 12.4829 12.4829 12.5371 12.5371 13.2736 13.2736 13.3222 13.3222 13.4321 13.4321 13.4984 13.4984 13.7231 13.7231 14.1561 14.1561 14.6905 14.6905 14.6940 14.6940 19.3001 19.3001 20.3449 20.3449 k = 0.0000 0.1667-0.0000 ( 1414 PWs) bands (ev): 2.4044 2.4044 9.0585 9.0585 9.6489 9.6489 10.2336 10.2336 10.4951 10.4951 10.5176 10.5176 10.6354 10.6354 12.0801 12.0801 12.1325 12.1325 12.4702 12.4702 12.4893 12.4893 13.2656 13.2656 13.3168 13.3168 13.4164 13.4164 13.4977 13.4977 13.7070 13.7070 14.1565 14.1565 14.7705 14.7705 14.7715 14.7715 19.3186 19.3186 20.3365 20.3365 k = 0.0000 0.1778-0.0000 ( 1414 PWs) bands (ev): 2.4481 2.4481 9.0026 9.0026 9.6379 9.6379 10.2633 10.2633 10.4896 10.4896 10.5125 10.5125 10.6476 10.6476 12.0503 12.0503 12.1036 12.1036 12.4446 12.4446 12.4569 12.4569 13.2552 13.2552 13.3088 13.3088 13.3992 13.3992 13.4963 13.4963 13.6903 13.6903 14.1568 14.1568 14.8533 14.8533 14.8545 14.8545 19.3337 19.3337 20.3275 20.3275 k = 0.0000 0.1889-0.0000 ( 1414 PWs) bands (ev): 2.4944 2.4944 8.9346 8.9346 9.6348 9.6348 10.2943 10.2943 10.4837 10.4837 10.5070 10.5070 10.6603 10.6603 12.0224 12.0224 12.0767 12.0767 12.4033 12.4033 12.4430 12.4430 13.2426 13.2426 13.2985 13.2985 13.3807 13.3807 13.4940 13.4940 13.6731 13.6731 14.1571 14.1571 14.9391 14.9391 14.9422 14.9422 19.3458 19.3458 20.3181 20.3181 k = 0.0000 0.2000-0.0000 ( 1422 PWs) bands (ev): 2.5433 2.5433 8.8556 8.8556 9.6386 9.6386 10.3267 10.3267 10.4773 10.4773 10.5009 10.5009 10.6737 10.6737 11.9964 11.9964 12.0516 12.0516 12.3655 12.3655 12.4283 12.4283 13.2279 13.2279 13.2860 13.2860 13.3609 13.3609 13.4905 13.4905 13.6558 13.6558 14.1569 14.1569 15.0283 15.0283 15.0332 15.0332 19.3551 19.3551 20.3082 20.3082 k = 0.0000 0.2111-0.0000 ( 1422 PWs) bands (ev): 2.5947 2.5947 8.7673 8.7673 9.6482 9.6482 10.3601 10.3601 10.4711 10.4711 10.4945 10.4945 10.6876 10.6876 11.9725 11.9725 12.0286 12.0286 12.3313 12.3313 12.4134 12.4134 13.2116 13.2116 13.2716 13.2716 13.3400 13.3400 13.4857 13.4857 13.6387 13.6387 14.1571 14.1571 15.1210 15.1210 15.1274 15.1274 19.3619 19.3619 20.2979 20.2979 k = 0.0000 0.2222-0.0000 ( 1430 PWs) bands (ev): 2.6485 2.6485 8.6711 8.6711 9.6623 9.6623 10.3937 10.3937 10.4653 10.4653 10.4876 10.4876 10.7021 10.7021 11.9503 11.9503 12.0072 12.0072 12.3005 12.3005 12.3979 12.3979 13.1937 13.1937 13.2554 13.2554 13.3179 13.3179 13.4788 13.4788 13.6225 13.6225 14.1573 14.1573 15.2166 15.2166 15.2245 15.2245 19.3666 19.3666 20.2873 20.2873 k = 0.0000 0.2333-0.0000 ( 1430 PWs) bands (ev): 2.7048 2.7048 8.5685 8.5685 9.6800 9.6800 10.4240 10.4240 10.4638 10.4638 10.4804 10.4804 10.7170 10.7170 11.9306 11.9306 11.9882 11.9882 12.2730 12.2730 12.3820 12.3820 13.1746 13.1746 13.2379 13.2379 13.2948 13.2948 13.4698 13.4698 13.6076 13.6076 14.1574 14.1574 15.3151 15.3151 15.3241 15.3241 19.3693 19.3693 20.2762 20.2762 k = 0.0000 0.2444-0.0000 ( 1422 PWs) bands (ev): 2.7634 2.7634 8.4608 8.4608 9.7007 9.7007 10.4359 10.4359 10.4729 10.4729 10.4814 10.4814 10.7324 10.7324 11.9130 11.9130 11.9713 11.9713 12.2492 12.2492 12.3658 12.3658 13.1548 13.1548 13.2193 13.2193 13.2709 13.2709 13.4578 13.4578 13.5947 13.5947 14.1575 14.1575 15.4161 15.4161 15.4263 15.4263 19.3704 19.3704 20.2649 20.2649 k = 0.0000 0.2556-0.0000 ( 1422 PWs) bands (ev): 2.8242 2.8242 8.3485 8.3485 9.7235 9.7235 10.4320 10.4320 10.4650 10.4650 10.5154 10.5154 10.7482 10.7482 11.8974 11.8974 11.9563 11.9563 12.2280 12.2280 12.3492 12.3492 13.1338 13.1338 13.1995 13.1995 13.2461 13.2461 13.4426 13.4426 13.5840 13.5840 14.1576 14.1576 15.5195 15.5195 15.5306 15.5306 19.3699 19.3699 20.2533 20.2533 k = 0.0000 0.2667-0.0000 ( 1426 PWs) bands (ev): 2.8871 2.8871 8.2328 8.2328 9.7481 9.7481 10.4247 10.4247 10.4567 10.4567 10.5533 10.5533 10.7643 10.7643 11.8836 11.8836 11.9430 11.9430 12.2095 12.2095 12.3324 12.3324 13.1120 13.1120 13.1787 13.1787 13.2206 13.2206 13.4242 13.4242 13.5757 13.5757 14.1577 14.1577 15.6251 15.6251 15.6371 15.6371 19.3681 19.3681 20.2415 20.2415 k = 0.0000 0.2778-0.0000 ( 1426 PWs) bands (ev): 2.9521 2.9521 8.1144 8.1144 9.7740 9.7740 10.4164 10.4164 10.4483 10.4483 10.5927 10.5927 10.7807 10.7807 11.8720 11.8720 11.9318 11.9318 12.1937 12.1937 12.3154 12.3154 13.0898 13.0898 13.1573 13.1573 13.1945 13.1945 13.4030 13.4030 13.5696 13.5696 14.1578 14.1578 15.7327 15.7327 15.7454 15.7454 19.3652 19.3652 20.2295 20.2295 k = 0.0000 0.2889-0.0000 ( 1426 PWs) bands (ev): 3.0190 3.0190 7.9941 7.9941 9.8009 9.8009 10.4077 10.4077 10.4397 10.4397 10.6328 10.6328 10.7973 10.7973 11.8622 11.8622 11.9224 11.9224 12.1803 12.1803 12.2983 12.2983 13.0671 13.0671 13.1353 13.1353 13.1681 13.1681 13.3794 13.3794 13.5651 13.5651 14.1579 14.1579 15.8422 15.8422 15.8556 15.8556 19.3612 19.3612 20.2174 20.2174 k = 0.0000 0.3000-0.0000 ( 1430 PWs) bands (ev): 3.0876 3.0876 7.8724 7.8724 9.8284 9.8284 10.3988 10.3988 10.4310 10.4310 10.6733 10.6733 10.8141 10.8141 11.8542 11.8542 11.9146 11.9146 12.1687 12.1687 12.2812 12.2812 13.0443 13.0443 13.1130 13.1130 13.1412 13.1412 13.3540 13.3540 13.5619 13.5619 14.1579 14.1579 15.9535 15.9535 15.9673 15.9673 19.3564 19.3564 20.2053 20.2053 k = 0.0000 0.3111-0.0000 ( 1430 PWs) bands (ev): 3.1578 3.1578 7.7501 7.7501 9.8564 9.8564 10.3899 10.3899 10.4223 10.4223 10.7140 10.7140 10.8311 10.8311 11.8478 11.8478 11.9085 11.9085 12.1593 12.1593 12.2641 12.2641 13.0214 13.0214 13.0906 13.0906 13.1143 13.1143 13.3272 13.3272 13.5597 13.5597 14.1580 14.1580 16.0662 16.0662 16.0805 16.0805 19.3509 19.3509 20.1932 20.1932 k = 0.0000 0.3222-0.0000 ( 1426 PWs) bands (ev): 3.2294 3.2294 7.6278 7.6278 9.8844 9.8844 10.3809 10.3809 10.4136 10.4136 10.7545 10.7545 10.8482 10.8482 11.8430 11.8430 11.9038 11.9038 12.1518 12.1518 12.2472 12.2472 12.9987 12.9987 13.0682 13.0682 13.0874 13.0874 13.2996 13.2996 13.5581 13.5581 14.1580 14.1580 16.1804 16.1804 16.1949 16.1949 19.3448 19.3448 20.1811 20.1811 k = 0.0000 0.3333-0.0000 ( 1426 PWs) bands (ev): 3.3022 3.3022 7.5060 7.5060 9.9124 9.9124 10.3721 10.3721 10.4051 10.4051 10.7943 10.7943 10.8656 10.8656 11.8396 11.8396 11.9004 11.9004 12.1458 12.1458 12.2305 12.2305 12.9762 12.9762 13.0459 13.0459 13.0605 13.0605 13.2710 13.2710 13.5572 13.5572 14.1581 14.1581 16.2957 16.2957 16.3104 16.3104 19.3383 19.3383 20.1692 20.1692 k = 0.0000 0.3444-0.0000 ( 1426 PWs) bands (ev): 3.3758 3.3758 7.3852 7.3852 9.9400 9.9400 10.3634 10.3634 10.3967 10.3967 10.8327 10.8327 10.8838 10.8838 11.8375 11.8375 11.8982 11.8982 12.1412 12.1412 12.2142 12.2142 12.9542 12.9542 13.0239 13.0239 13.0340 13.0340 13.2421 13.2421 13.5566 13.5566 14.1581 14.1581 16.4120 16.4120 16.4267 16.4267 19.3314 19.3314 20.1575 20.1575 k = 0.0000 0.3556-0.0000 ( 1434 PWs) bands (ev): 3.4500 3.4500 7.2662 7.2662 9.9669 9.9669 10.3546 10.3546 10.3882 10.3882 10.8677 10.8677 10.9043 10.9043 11.8364 11.8364 11.8970 11.8970 12.1377 12.1377 12.1983 12.1983 12.9327 12.9327 13.0025 13.0025 13.0079 13.0079 13.2129 13.2129 13.5562 13.5562 14.1582 14.1582 16.5289 16.5289 16.5436 16.5436 19.3244 19.3244 20.1459 20.1459 k = 0.0000 0.3667-0.0000 ( 1434 PWs) bands (ev): 3.5243 3.5243 7.1495 7.1495 9.9931 9.9931 10.3466 10.3466 10.3804 10.3804 10.8957 10.8957 10.9303 10.9303 11.8363 11.8363 11.8967 11.8967 12.1354 12.1354 12.1830 12.1830 12.9120 12.9120 12.9816 12.9816 12.9825 12.9825 13.1841 13.1841 13.5561 13.5561 14.1582 14.1582 16.6463 16.6463 16.6607 16.6607 19.3172 19.3172 20.1344 20.1344 k = 0.0000 0.3778-0.0000 ( 1434 PWs) bands (ev): 3.5984 3.5984 7.0358 7.0358 10.0183 10.0183 10.3389 10.3389 10.3729 10.3729 10.9163 10.9163 10.9621 10.9621 11.8371 11.8371 11.8972 11.8972 12.1340 12.1340 12.1684 12.1684 12.8925 12.8925 12.9577 12.9577 12.9621 12.9621 13.1552 13.1552 13.5562 13.5562 14.1582 14.1582 16.7637 16.7637 16.7776 16.7776 19.3101 19.3101 20.1226 20.1226 k = 0.0000 0.3889-0.0000 ( 1434 PWs) bands (ev): 3.6716 3.6716 6.9258 6.9258 10.0421 10.0421 10.3316 10.3316 10.3660 10.3660 10.9329 10.9329 10.9955 10.9955 11.8386 11.8386 11.8983 11.8983 12.1332 12.1332 12.1547 12.1547 12.8737 12.8737 12.9344 12.9344 12.9430 12.9430 13.1276 13.1276 13.5563 13.5563 14.1583 14.1583 16.8807 16.8807 16.8939 16.8939 19.3032 19.3032 20.1081 20.1081 k = 0.0000 0.4000-0.0000 ( 1430 PWs) bands (ev): 3.7432 3.7432 6.8205 6.8205 10.0645 10.0645 10.3249 10.3249 10.3596 10.3596 10.9474 10.9474 11.0283 11.0283 11.8406 11.8406 11.9000 11.9000 12.1332 12.1332 12.1419 12.1419 12.8562 12.8562 12.9125 12.9125 12.9252 12.9252 13.1012 13.1012 13.5565 13.5565 14.1583 14.1583 16.9967 16.9967 17.0089 17.0089 19.2965 19.2965 20.0665 20.0665 k = 0.0000 0.4111-0.0000 ( 1434 PWs) bands (ev): 3.8125 3.8125 6.7207 6.7207 10.0851 10.0851 10.3188 10.3188 10.3538 10.3538 10.9604 10.9604 11.0593 11.0593 11.8428 11.8428 11.9017 11.9017 12.1301 12.1301 12.1335 12.1335 12.8398 12.8398 12.8919 12.8919 12.9085 12.9085 13.0763 13.0763 13.5566 13.5566 14.1583 14.1583 17.1107 17.1107 17.1218 17.1218 19.2902 19.2902 19.9492 19.9492 k = 0.0000 0.4222-0.0000 ( 1434 PWs) bands (ev): 3.8784 3.8784 6.6275 6.6275 10.1038 10.1038 10.3133 10.3133 10.3486 10.3486 10.9722 10.9722 11.0880 11.0880 11.8454 11.8454 11.9037 11.9037 12.1195 12.1195 12.1341 12.1341 12.8250 12.8250 12.8731 12.8731 12.8934 12.8934 13.0532 13.0532 13.5568 13.5568 14.1583 14.1583 17.2218 17.2218 17.2313 17.2313 19.2844 19.2844 19.8194 19.8194 k = 0.0000 0.4333-0.0000 ( 1434 PWs) bands (ev): 3.9399 3.9399 6.5422 6.5422 10.1204 10.1204 10.3084 10.3084 10.3441 10.3441 10.9826 10.9826 11.1138 11.1138 11.8479 11.8479 11.9057 11.9057 12.1102 12.1102 12.1349 12.1349 12.8118 12.8118 12.8562 12.8562 12.8799 12.8799 13.0322 13.0322 13.5571 13.5571 14.1584 14.1584 17.3285 17.3285 17.3361 17.3361 19.2791 19.2791 19.6947 19.6947 k = 0.0000 0.4444-0.0000 ( 1438 PWs) bands (ev): 3.9956 3.9956 6.4662 6.4662 10.1347 10.1347 10.3042 10.3042 10.3402 10.3402 10.9915 10.9915 11.1365 11.1365 11.8503 11.8503 11.9076 11.9076 12.1021 12.1021 12.1357 12.1357 12.8003 12.8003 12.8415 12.8415 12.8680 12.8680 13.0137 13.0137 13.5573 13.5573 14.1584 14.1584 17.4287 17.4287 17.4340 17.4340 19.2745 19.2745 19.5786 19.5786 k = 0.0000 0.4556-0.0000 ( 1430 PWs) bands (ev): 4.0442 4.0442 6.4010 6.4010 10.1469 10.1469 10.3009 10.3009 10.3373 10.3373 10.9990 10.9990 11.1557 11.1557 11.8526 11.8526 11.9093 11.9093 12.0956 12.0956 12.1366 12.1366 12.7908 12.7908 12.8291 12.8291 12.8581 12.8581 12.9981 12.9981 13.5575 13.5575 14.1584 14.1584 17.5197 17.5197 17.5224 17.5224 19.2707 19.2707 19.4745 19.4745 k = 0.0000 0.4667-0.0000 ( 1422 PWs) bands (ev): 4.0841 4.0841 6.3480 6.3480 10.1564 10.1564 10.2985 10.2985 10.3352 10.3352 11.0050 11.0050 11.1709 11.1709 11.8547 11.8547 11.9109 11.9109 12.0905 12.0905 12.1374 12.1374 12.7833 12.7833 12.8194 12.8194 12.8504 12.8504 12.9856 12.9856 13.5577 13.5577 14.1586 14.1586 17.5979 17.5979 17.5980 17.5980 19.2676 19.2676 19.3860 19.3860 k = 0.0000 0.4778-0.0000 ( 1422 PWs) bands (ev): 4.1139 4.1139 6.3089 6.3089 10.1631 10.1631 10.2966 10.2966 10.3335 10.3335 11.0093 11.0093 11.1820 11.1820 11.8560 11.8560 11.9119 11.9119 12.0868 12.0868 12.1380 12.1380 12.7779 12.7779 12.8123 12.8123 12.8447 12.8447 12.9765 12.9765 13.5578 13.5578 14.1586 14.1586 17.6565 17.6565 17.6590 17.6590 19.2653 19.2653 19.3175 19.3175 k = 0.0000 0.4889-0.0000 ( 1422 PWs) bands (ev): 4.1324 4.1324 6.2848 6.2848 10.1671 10.1671 10.2954 10.2954 10.3325 10.3325 11.0119 11.0119 11.1887 11.1887 11.8569 11.8569 11.9125 11.9125 12.0846 12.0846 12.1384 12.1384 12.7746 12.7746 12.8080 12.8080 12.8413 12.8413 12.9710 12.9710 13.5579 13.5579 14.1586 14.1586 17.6938 17.6938 17.6981 17.6981 19.2639 19.2639 19.2739 19.2739 k = 0.0000 0.5000-0.0000 ( 1422 PWs) bands (ev): 4.1386 4.1386 6.2767 6.2767 10.1685 10.1685 10.2950 10.2950 10.3322 10.3322 11.0127 11.0127 11.1909 11.1909 11.8572 11.8572 11.9127 11.9127 12.0839 12.0839 12.1386 12.1386 12.7735 12.7735 12.8065 12.8065 12.8401 12.8401 12.9691 12.9691 13.5579 13.5579 14.1586 14.1586 17.7067 17.7067 17.7117 17.7117 19.2589 19.2589 19.2635 19.2635 k = 0.0000 0.5000-0.0000 ( 1422 PWs) bands (ev): 4.1386 4.1386 6.2767 6.2767 10.1685 10.1685 10.2950 10.2950 10.3322 10.3322 11.0127 11.0127 11.1909 11.1909 11.8572 11.8572 11.9127 11.9127 12.0839 12.0839 12.1386 12.1386 12.7735 12.7735 12.8065 12.8065 12.8401 12.8401 12.9691 12.9691 13.5579 13.5579 14.1586 14.1586 17.7067 17.7067 17.7117 17.7117 19.2589 19.2589 19.2635 19.2635 k = 0.0111 0.5000-0.0000 ( 1422 PWs) bands (ev): 4.1398 4.1398 6.2781 6.2781 10.1691 10.1691 10.2936 10.2936 10.3309 10.3309 11.0130 11.0130 11.1917 11.1917 11.8561 11.8561 11.9116 11.9116 12.0827 12.0827 12.1413 12.1413 12.7645 12.7645 12.8064 12.8064 12.8499 12.8499 12.9692 12.9692 13.5574 13.5574 14.1573 14.1573 17.6922 17.6922 17.7109 17.7109 19.2507 19.2507 19.2753 19.2753 k = 0.0222 0.5000-0.0000 ( 1422 PWs) bands (ev): 4.1433 4.1433 6.2821 6.2821 10.1710 10.1710 10.2890 10.2890 10.3274 10.3274 11.0137 11.0137 11.1939 11.1939 11.8526 11.8526 11.9087 11.9087 12.0798 12.0798 12.1486 12.1486 12.7449 12.7449 12.8073 12.8073 12.8705 12.8705 12.9696 12.9696 13.5558 13.5558 14.1533 14.1533 17.6446 17.6446 17.7148 17.7148 19.2167 19.2167 19.3082 19.3082 k = 0.0333 0.5000-0.0000 ( 1428 PWs) bands (ev): 4.1491 4.1491 6.2888 6.2888 10.1737 10.1737 10.2801 10.2801 10.3226 10.3226 11.0149 11.0149 11.1975 11.1975 11.8461 11.8461 11.9048 11.9048 12.0761 12.0761 12.1592 12.1592 12.7220 12.7220 12.8091 12.8091 12.8947 12.8947 12.9701 12.9701 13.5532 13.5532 14.1468 14.1468 17.5709 17.5709 17.7216 17.7216 19.1467 19.1467 19.3387 19.3387 k = 0.0444 0.5000-0.0000 ( 1432 PWs) bands (ev): 4.1572 4.1572 6.2981 6.2981 10.1777 10.1777 10.2661 10.2661 10.3177 10.3177 11.0166 11.0166 11.2025 11.2025 11.8362 11.8362 11.9012 11.9012 12.0722 12.0722 12.1718 12.1718 12.6983 12.6983 12.8119 12.8119 12.9200 12.9200 12.9709 12.9709 13.5496 13.5496 14.1377 14.1377 17.4778 17.4778 17.7312 17.7312 19.0465 19.0465 19.3503 19.3503 k = 0.0556 0.5000-0.0000 ( 1430 PWs) bands (ev): 4.1677 4.1677 6.3102 6.3102 10.1825 10.1825 10.2475 10.2475 10.3133 10.3133 11.0188 11.0188 11.2088 11.2088 11.8231 11.8231 11.8984 11.8984 12.0684 12.0684 12.1857 12.1857 12.6746 12.6746 12.8154 12.8154 12.9457 12.9457 12.9719 12.9719 13.5450 13.5450 14.1262 14.1262 17.3712 17.3712 17.7436 17.7436 18.9242 18.9242 19.3689 19.3689 k = 0.0667 0.5000-0.0000 ( 1430 PWs) bands (ev): 4.1804 4.1804 6.3248 6.3248 10.1865 10.1865 10.2256 10.2256 10.3091 10.3091 11.0214 11.0214 11.2161 11.2161 11.8070 11.8070 11.8966 11.8966 12.0646 12.0646 12.2002 12.2002 12.6513 12.6513 12.8197 12.8197 12.9692 12.9692 12.9753 12.9753 13.5393 13.5393 14.1123 14.1123 17.2558 17.2558 17.7588 17.7588 18.7856 18.7856 19.3931 19.3931 k = 0.0778 0.5000-0.0000 ( 1430 PWs) bands (ev): 4.1955 4.1955 6.3421 6.3421 10.1798 10.1798 10.2107 10.2107 10.3050 10.3050 11.0245 11.0245 11.2243 11.2243 11.7885 11.7885 11.8956 11.8956 12.0608 12.0608 12.2151 12.2151 12.6287 12.6287 12.8246 12.8246 12.9733 12.9733 12.9980 12.9980 13.5325 13.5325 14.0962 14.0962 17.1350 17.1350 17.7767 17.7767 18.6353 18.6353 19.4222 19.4222 k = 0.0889 0.5000-0.0000 ( 1430 PWs) bands (ev): 4.2128 4.2128 6.3620 6.3620 10.1519 10.1519 10.2136 10.2136 10.3009 10.3009 11.0281 11.0281 11.2332 11.2332 11.7683 11.7683 11.8952 11.8952 12.0571 12.0571 12.2299 12.2299 12.6069 12.6069 12.8301 12.8301 12.9745 12.9745 13.0232 13.0232 13.5247 13.5247 14.0778 14.0778 17.0115 17.0115 17.7973 17.7973 18.4765 18.4765 19.4559 19.4559 k = 0.1000 0.5000-0.0000 ( 1438 PWs) bands (ev): 4.2324 4.2324 6.3845 6.3845 10.1150 10.1150 10.2219 10.2219 10.2966 10.2966 11.0321 11.0321 11.2426 11.2426 11.7466 11.7466 11.8952 11.8952 12.0533 12.0533 12.2445 12.2445 12.5860 12.5860 12.8361 12.8361 12.9756 12.9756 13.0480 13.0480 13.5156 13.5156 14.0574 14.0574 16.8869 16.8869 17.8206 17.8206 18.3119 18.3119 19.4937 19.4937 k = 0.1111 0.5000-0.0000 ( 1434 PWs) bands (ev): 4.2542 4.2542 6.4095 6.4095 10.0732 10.0732 10.2318 10.2318 10.2928 10.2928 11.0366 11.0366 11.2526 11.2526 11.7241 11.7241 11.8958 11.8958 12.0496 12.0496 12.2588 12.2588 12.5664 12.5664 12.8427 12.8427 12.9766 12.9766 13.0725 13.0725 13.5058 13.5058 14.0351 14.0351 16.7628 16.7628 17.8466 17.8466 18.1433 18.1433 19.5356 19.5356 k = 0.1222 0.5000-0.0000 ( 1434 PWs) bands (ev): 4.2782 4.2782 6.4370 6.4370 10.0274 10.0274 10.2419 10.2419 10.2897 10.2897 11.0415 11.0415 11.2628 11.2628 11.7008 11.7008 11.8965 11.8965 12.0458 12.0458 12.2725 12.2725 12.5482 12.5482 12.8495 12.8495 12.9774 12.9774 13.0960 13.0960 13.4950 13.4950 14.0110 14.0110 16.6401 16.6401 17.8753 17.8753 17.9725 17.9725 19.5811 19.5811 k = 0.1333 0.5000-0.0000 ( 1434 PWs) bands (ev): 4.3043 4.3043 6.4669 6.4669 9.9777 9.9777 10.2506 10.2506 10.2889 10.2889 11.0468 11.0468 11.2732 11.2732 11.6769 11.6769 11.8975 11.8975 12.0421 12.0421 12.2854 12.2854 12.5314 12.5314 12.8567 12.8567 12.9779 12.9779 13.1187 13.1187 13.4831 13.4831 13.9853 13.9853 16.5196 16.5196 17.8006 17.8006 17.9069 17.9069 19.6298 19.6298 k = 0.1444 0.5000-0.0000 ( 1434 PWs) bands (ev): 4.3327 4.3327 6.4993 6.4993 9.9246 9.9246 10.2550 10.2550 10.2931 10.2931 11.0521 11.0521 11.2838 11.2838 11.6528 11.6528 11.8987 11.8987 12.0383 12.0383 12.2974 12.2974 12.5164 12.5164 12.8641 12.8641 12.9781 12.9781 13.1405 13.1405 13.4703 13.4703 13.9583 13.9583 16.4018 16.4018 17.6289 17.6289 17.9409 17.9409 19.6799 19.6799 k = 0.1556 0.5000-0.0000 ( 1434 PWs) bands (ev): 4.3631 4.3631 6.5340 6.5340 9.8682 9.8682 10.2542 10.2542 10.3029 10.3029 11.0582 11.0582 11.2941 11.2941 11.6284 11.6284 11.9001 11.9001 12.0347 12.0347 12.3086 12.3086 12.5032 12.5032 12.8716 12.8716 12.9778 12.9778 13.1611 13.1611 13.4565 13.4565 13.9298 13.9298 16.2873 16.2873 17.4580 17.4580 17.9775 17.9775 19.7250 19.7250 k = 0.1667 0.5000-0.0000 ( 1430 PWs) bands (ev): 4.3956 4.3956 6.5711 6.5711 9.8086 9.8086 10.2503 10.2503 10.3163 10.3163 11.0646 11.0646 11.3043 11.3043 11.6041 11.6041 11.9017 11.9017 12.0312 12.0312 12.3186 12.3186 12.4922 12.4922 12.8794 12.8794 12.9771 12.9771 13.1805 13.1805 13.4417 13.4417 13.9005 13.9005 16.1764 16.1764 17.2889 17.2889 18.0168 18.0168 19.7571 19.7571 k = 0.1778 0.5000-0.0000 ( 1436 PWs) bands (ev): 4.4301 4.4301 6.6103 6.6103 9.7461 9.7461 10.2448 10.2448 10.3314 10.3314 11.0713 11.0713 11.3140 11.3140 11.5797 11.5797 11.9033 11.9033 12.0278 12.0278 12.3272 12.3272 12.4834 12.4834 12.8871 12.8871 12.9755 12.9755 13.1981 13.1981 13.4260 13.4260 13.8698 13.8698 16.0693 16.0693 17.1222 17.1222 18.0587 18.0587 19.7837 19.7837 k = 0.1889 0.5000-0.0000 ( 1436 PWs) bands (ev): 4.4666 4.4666 6.6517 6.6517 9.6808 9.6808 10.2385 10.2385 10.3477 10.3477 11.0784 11.0784 11.3233 11.3233 11.5555 11.5555 11.9052 11.9052 12.0245 12.0245 12.3348 12.3348 12.4770 12.4770 12.8948 12.8948 12.9733 12.9733 13.2144 13.2144 13.4095 13.4095 13.8384 13.8384 15.9662 15.9662 16.9585 16.9585 18.1030 18.1030 19.8094 19.8094 k = 0.2000 0.5000-0.0000 ( 1444 PWs) bands (ev): 4.5050 4.5050 6.6952 6.6952 9.6128 9.6128 10.2316 10.2316 10.3644 10.3644 11.0858 11.0858 11.3320 11.3320 11.5316 11.5316 11.9070 11.9070 12.0212 12.0212 12.3411 12.3411 12.4731 12.4731 12.9024 12.9024 12.9703 12.9703 13.2286 13.2286 13.3924 13.3924 13.8060 13.8060 15.8675 15.8675 16.7984 16.7984 18.1499 18.1499 19.8349 19.8349 k = 0.2111 0.5000-0.0000 ( 1436 PWs) bands (ev): 4.5452 4.5452 6.7407 6.7407 9.5427 9.5427 10.2247 10.2247 10.3816 10.3816 11.0934 11.0934 11.3403 11.3403 11.5085 11.5085 11.9091 11.9091 12.0183 12.0183 12.3464 12.3464 12.4716 12.4716 12.9099 12.9099 12.9665 12.9665 13.2404 13.2404 13.3749 13.3749 13.7735 13.7735 15.7732 15.7732 16.6424 16.6424 18.1992 18.1992 19.8607 19.8607 k = 0.2222 0.5000-0.0000 ( 1432 PWs) bands (ev): 4.5873 4.5873 6.7881 6.7881 9.4702 9.4702 10.2175 10.2175 10.3988 10.3988 11.1014 11.1014 11.3478 11.3478 11.4859 11.4859 11.9112 11.9112 12.0157 12.0157 12.3510 12.3510 12.4723 12.4723 12.9172 12.9172 12.9618 12.9618 13.2489 13.2489 13.3579 13.3579 13.7405 13.7405 15.6833 15.6833 16.4910 16.4910 18.2509 18.2509 19.8869 19.8869 k = 0.2333 0.5000-0.0000 ( 1432 PWs) bands (ev): 4.6310 4.6310 6.8373 6.8373 9.3957 9.3957 10.2100 10.2100 10.4158 10.4158 11.1095 11.1095 11.3543 11.3543 11.4641 11.4641 11.9133 11.9133 12.0134 12.0134 12.3552 12.3552 12.4746 12.4746 12.9239 12.9239 12.9563 12.9563 13.2526 13.2526 13.3423 13.3423 13.7072 13.7072 15.5981 15.5981 16.3446 16.3446 18.3050 18.3050 19.9135 19.9135 k = 0.2444 0.5000-0.0000 ( 1436 PWs) bands (ev): 4.6763 4.6763 6.8880 6.8880 9.3194 9.3194 10.2025 10.2025 10.4323 10.4323 11.1178 11.1178 11.3596 11.3596 11.4434 11.4434 11.9155 11.9155 12.0113 12.0113 12.3594 12.3594 12.4783 12.4783 12.9295 12.9295 12.9507 12.9507 13.2494 13.2494 13.3301 13.3301 13.6739 13.6739 15.5174 15.5174 16.2036 16.2036 18.3613 18.3613 19.9404 19.9404 k = 0.2556 0.5000-0.0000 ( 1436 PWs) bands (ev): 4.7232 4.7232 6.9404 6.9404 9.2417 9.2417 10.1950 10.1950 10.4479 10.4479 11.1262 11.1262 11.3636 11.3636 11.4245 11.4245 11.9176 11.9176 12.0095 12.0095 12.3641 12.3641 12.4832 12.4832 12.9314 12.9314 12.9474 12.9474 13.2380 13.2380 13.3230 13.3230 13.6407 13.6407 15.4415 15.4415 16.0686 16.0686 18.4198 18.4198 19.9677 19.9677 k = 0.2667 0.5000-0.0000 ( 1424 PWs) bands (ev): 4.7714 4.7714 6.9941 6.9941 9.1627 9.1627 10.1876 10.1876 10.4626 10.4626 11.1349 11.1349 11.3655 11.3655 11.4086 11.4086 11.9199 11.9199 12.0082 12.0082 12.3697 12.3697 12.4889 12.4889 12.9261 12.9261 12.9499 12.9499 13.2196 13.2196 13.3198 13.3198 13.6079 13.6079 15.3703 15.3703 15.9399 15.9399 18.4804 18.4804 19.9953 19.9953 k = 0.2778 0.5000-0.0000 ( 1424 PWs) bands (ev): 4.8209 4.8209 7.0489 7.0489 9.0827 9.0827 10.1802 10.1802 10.4757 10.4757 11.1435 11.1435 11.3630 11.3630 11.3973 11.3973 11.9221 11.9221 12.0071 12.0071 12.3761 12.3761 12.4951 12.4951 12.9167 12.9167 12.9549 12.9549 13.1960 13.1960 13.3177 13.3177 13.5753 13.5753 15.3037 15.3037 15.8177 15.8177 18.5430 18.5430 20.0231 20.0231 k = 0.2889 0.5000-0.0000 ( 1432 PWs) bands (ev): 4.8716 4.8716 7.1048 7.1048 9.0020 9.0020 10.1728 10.1728 10.4870 10.4870 11.1517 11.1517 11.3551 11.3551 11.3922 11.3922 11.9241 11.9241 12.0063 12.0063 12.3835 12.3835 12.5015 12.5015 12.9054 12.9054 12.9601 12.9601 13.1690 13.1690 13.3153 13.3153 13.5433 13.5433 15.2418 15.2418 15.7024 15.7024 18.6076 18.6076 20.0510 20.0510 k = 0.3000 0.5000-0.0000 ( 1428 PWs) bands (ev): 4.9232 4.9232 7.1614 7.1614 8.9209 8.9209 10.1656 10.1656 10.4963 10.4963 11.1603 11.1603 11.3447 11.3447 11.3909 11.3909 11.9261 11.9261 12.0059 12.0059 12.3922 12.3922 12.5085 12.5085 12.8929 12.8929 12.9653 12.9653 13.1399 13.1399 13.3119 13.3119 13.5121 13.5121 15.1845 15.1845 15.5944 15.5944 18.6738 18.6738 20.0790 20.0790 k = 0.3111 0.5000-0.0000 ( 1428 PWs) bands (ev): 4.9756 4.9756 7.2187 7.2187 8.8397 8.8397 10.1585 10.1585 10.5030 10.5030 11.1688 11.1688 11.3345 11.3345 11.3909 11.3909 11.9280 11.9280 12.0059 12.0059 12.4021 12.4021 12.5156 12.5156 12.8790 12.8790 12.9700 12.9700 13.1092 13.1092 13.3068 13.3068 13.4816 13.4816 15.1317 15.1317 15.4936 15.4936 18.7417 18.7417 20.1068 20.1068 k = 0.3222 0.5000-0.0000 ( 1430 PWs) bands (ev): 5.0286 5.0286 7.2761 7.2761 8.7587 8.7587 10.1517 10.1517 10.5069 10.5069 11.1771 11.1771 11.3259 11.3259 11.3911 11.3911 11.9298 11.9298 12.0061 12.0061 12.4131 12.4131 12.5230 12.5230 12.8638 12.8638 12.9737 12.9737 13.0776 13.0776 13.3000 13.3000 13.4519 13.4519 15.0833 15.0833 15.4002 15.4002 18.8111 18.8111 20.1344 20.1344 k = 0.3333 0.5000-0.0000 ( 1430 PWs) bands (ev): 5.0820 5.0820 7.3337 7.3337 8.6784 8.6784 10.1451 10.1451 10.5081 10.5081 11.1852 11.1852 11.3193 11.3193 11.3911 11.3911 11.9315 11.9315 12.0067 12.0067 12.4251 12.4251 12.5306 12.5306 12.8478 12.8478 12.9755 12.9755 13.0466 13.0466 13.2914 13.2914 13.4234 13.4234 15.0392 15.0392 15.3143 15.3143 18.8816 18.8816 20.1615 20.1615 k = 0.3444 0.5000-0.0000 ( 1430 PWs) bands (ev): 5.1354 5.1354 7.3909 7.3909 8.5990 8.5990 10.1388 10.1388 10.5061 10.5061 11.1931 11.1931 11.3152 11.3152 11.3909 11.3909 11.9330 11.9330 12.0075 12.0075 12.4380 12.4380 12.5384 12.5384 12.8309 12.8309 12.9717 12.9717 13.0203 13.0203 13.2810 13.2810 13.3961 13.3961 14.9992 14.9992 15.2358 15.2358 18.9531 18.9531 20.1882 20.1882 k = 0.3556 0.5000-0.0000 ( 1432 PWs) bands (ev): 5.1887 5.1887 7.4474 7.4474 8.5212 8.5212 10.1327 10.1327 10.5011 10.5011 11.2006 11.2006 11.3136 11.3136 11.3904 11.3904 11.9343 11.9343 12.0084 12.0084 12.4516 12.4516 12.5466 12.5466 12.8132 12.8132 12.9541 12.9541 13.0070 13.0070 13.2689 13.2689 13.3700 13.3700 14.9632 14.9632 15.1647 15.1647 19.0253 19.0253 20.2142 20.2142 k = 0.3667 0.5000-0.0000 ( 1432 PWs) bands (ev): 5.2413 5.2413 7.5028 7.5028 8.4452 8.4452 10.1270 10.1270 10.4932 10.4932 11.2079 11.2079 11.3142 11.3142 11.3896 11.3896 11.9356 11.9356 12.0096 12.0096 12.4656 12.4656 12.5552 12.5552 12.7947 12.7947 12.9256 12.9256 13.0048 13.0048 13.2555 13.2555 13.3452 13.3452 14.9309 14.9309 15.1006 15.1006 19.0977 19.0977 20.2392 20.2392 k = 0.3778 0.5000-0.0000 ( 1436 PWs) bands (ev): 5.2930 5.2930 7.5568 7.5568 8.3717 8.3717 10.1216 10.1216 10.4827 10.4827 11.2146 11.2146 11.3169 11.3169 11.3885 11.3885 11.9366 11.9366 12.0107 12.0107 12.4796 12.4796 12.5641 12.5641 12.7758 12.7758 12.8941 12.8941 13.0060 13.0060 13.2410 13.2410 13.3216 13.3216 14.9022 14.9022 15.0435 15.0435 19.1700 19.1700 20.2633 20.2633 k = 0.3889 0.5000-0.0000 ( 1436 PWs) bands (ev): 5.3433 5.3433 7.6088 7.6088 8.3010 8.3010 10.1167 10.1167 10.4700 10.4700 11.2210 11.2210 11.3215 11.3215 11.3873 11.3873 11.9376 11.9376 12.0121 12.0121 12.4937 12.4937 12.5738 12.5738 12.7561 12.7561 12.8628 12.8628 13.0083 13.0083 13.2259 13.2259 13.2994 13.2994 14.8768 14.8768 14.9929 14.9929 19.2417 19.2417 20.2860 20.2860 k = 0.4000 0.5000-0.0000 ( 1436 PWs) bands (ev): 5.3917 5.3917 7.6583 7.6583 8.2340 8.2340 10.1121 10.1121 10.4555 10.4555 11.2270 11.2270 11.3276 11.3276 11.3861 11.3861 11.9384 11.9384 12.0135 12.0135 12.5074 12.5074 12.5841 12.5841 12.7361 12.7361 12.8328 12.8328 13.0108 13.0108 13.2105 13.2105 13.2785 13.2785 14.8544 14.8544 14.9487 14.9487 19.3120 19.3120 20.3074 20.3074 k = 0.4111 0.5000-0.0000 ( 1436 PWs) bands (ev): 5.4376 5.4376 7.7048 7.7048 8.1711 8.1711 10.1080 10.1080 10.4399 10.4399 11.2324 11.2324 11.3348 11.3348 11.3848 11.3848 11.9391 11.9391 12.0149 12.0149 12.5204 12.5204 12.5950 12.5950 12.7162 12.7162 12.8048 12.8048 13.0133 13.0133 13.1952 13.1952 13.2589 13.2589 14.8348 14.8348 14.9104 14.9104 19.3803 19.3803 20.3271 20.3271 k = 0.4222 0.5000-0.0000 ( 1438 PWs) bands (ev): 5.4805 5.4805 7.7477 7.7477 8.1131 8.1131 10.1043 10.1043 10.4239 10.4239 11.2374 11.2374 11.3424 11.3424 11.3836 11.3836 11.9397 11.9397 12.0163 12.0163 12.5325 12.5325 12.6061 12.6061 12.6968 12.6968 12.7791 12.7791 13.0157 13.0157 13.1804 13.1804 13.2409 13.2409 14.8177 14.8177 14.8778 14.8778 19.4455 19.4455 20.3450 20.3450 k = 0.4333 0.5000-0.0000 ( 1434 PWs) bands (ev): 5.5196 5.5196 7.7864 7.7864 8.0609 8.0609 10.1013 10.1013 10.4081 10.4081 11.2418 11.2418 11.3503 11.3503 11.3824 11.3824 11.9401 11.9401 12.0176 12.0176 12.5435 12.5435 12.6173 12.6173 12.6790 12.6790 12.7558 12.7558 13.0179 13.0179 13.1663 13.1663 13.2245 13.2245 14.8030 14.8030 14.8508 14.8508 19.5066 19.5066 20.3610 20.3610 k = 0.4444 0.5000-0.0000 ( 1442 PWs) bands (ev): 5.5543 5.5543 7.8203 7.8203 8.0149 8.0149 10.0985 10.0985 10.3932 10.3932 11.2454 11.2454 11.3577 11.3577 11.3814 11.3814 11.9403 11.9403 12.0186 12.0186 12.5531 12.5531 12.6278 12.6278 12.6639 12.6639 12.7348 12.7348 13.0197 13.0197 13.1532 13.1532 13.2100 13.2100 14.7902 14.7902 14.8290 14.8290 19.5621 19.5621 20.3747 20.3747 k = 0.4556 0.5000-0.0000 ( 1438 PWs) bands (ev): 5.5840 5.5840 7.8488 7.8488 7.9763 7.9763 10.0962 10.0962 10.3801 10.3801 11.2485 11.2485 11.3644 11.3644 11.3805 11.3805 11.9405 11.9405 12.0195 12.0195 12.5611 12.5611 12.6361 12.6361 12.6537 12.6537 12.7161 12.7161 13.0216 13.0216 13.1417 13.1417 13.1979 13.1979 14.7794 14.7794 14.8124 14.8124 19.6108 19.6108 20.3862 20.3862 k = 0.4667 0.5000-0.0000 ( 1446 PWs) bands (ev): 5.6078 5.6078 7.8711 7.8711 7.9457 7.9457 10.0943 10.0943 10.3690 10.3690 11.2507 11.2507 11.3698 11.3698 11.3800 11.3800 11.9405 11.9405 12.0201 12.0201 12.5667 12.5667 12.6380 12.6380 12.6525 12.6525 12.6997 12.6997 13.0230 13.0230 13.1319 13.1319 13.1881 13.1881 14.7703 14.7703 14.8002 14.8002 19.6509 19.6509 20.3953 20.3953 k = 0.4778 0.5000-0.0000 ( 1452 PWs) bands (ev): 5.6253 5.6253 7.8863 7.8863 7.9246 7.9246 10.0931 10.0931 10.3607 10.3607 11.2524 11.2524 11.3736 11.3736 11.3798 11.3798 11.9406 11.9406 12.0207 12.0207 12.5698 12.5698 12.6372 12.6372 12.6565 12.6565 12.6859 12.6859 13.0242 13.0242 13.1243 13.1243 13.1811 13.1811 14.7634 14.7634 14.7921 14.7921 19.6810 19.6810 20.4019 20.4019 k = 0.4889 0.5000-0.0000 ( 1452 PWs) bands (ev): 5.6360 5.6360 7.8924 7.8924 7.9148 7.9148 10.0923 10.0923 10.3556 10.3556 11.2535 11.2535 11.3755 11.3755 11.3802 11.3802 11.9406 11.9406 12.0210 12.0210 12.5710 12.5710 12.6389 12.6389 12.6593 12.6593 12.6763 12.6763 13.0251 13.0251 13.1196 13.1196 13.1769 13.1769 14.7591 14.7591 14.7876 14.7876 19.6996 19.6996 20.4058 20.4058 k = 0.5000 0.5000-0.0000 ( 1452 PWs) bands (ev): 5.6396 5.6396 7.8925 7.8925 7.9135 7.9135 10.0920 10.0920 10.3539 10.3539 11.2538 11.2538 11.3760 11.3760 11.3805 11.3805 11.9406 11.9406 12.0211 12.0211 12.5713 12.5713 12.6404 12.6404 12.6595 12.6595 12.6729 12.6729 13.0254 13.0254 13.1180 13.1180 13.1755 13.1755 14.7577 14.7577 14.7861 14.7861 19.7059 19.7059 20.4071 20.4071 k = 0.5000 0.5000-0.0000 ( 1452 PWs) bands (ev): 5.6396 5.6396 7.8925 7.8925 7.9135 7.9135 10.0920 10.0920 10.3539 10.3539 11.2538 11.2538 11.3760 11.3760 11.3805 11.3805 11.9406 11.9406 12.0211 12.0211 12.5713 12.5713 12.6404 12.6404 12.6595 12.6595 12.6729 12.6729 13.0254 13.0254 13.1180 13.1180 13.1755 13.1755 14.7577 14.7577 14.7861 14.7861 19.7059 19.7059 20.4071 20.4071 k = 0.4922 0.4922-0.0000 ( 1452 PWs) bands (ev): 5.6361 5.6361 7.8931 7.8931 7.9141 7.9141 10.0923 10.0923 10.3556 10.3556 11.2535 11.2535 11.3754 11.3754 11.3803 11.3803 11.9406 11.9406 12.0210 12.0210 12.5711 12.5711 12.6386 12.6386 12.6599 12.6599 12.6759 12.6759 13.0251 13.0251 13.1196 13.1196 13.1769 13.1769 14.7591 14.7591 14.7876 14.7876 19.6997 19.6997 20.4058 20.4058 k = 0.4844 0.4844-0.0000 ( 1452 PWs) bands (ev): 5.6254 5.6254 7.8948 7.8948 7.9161 7.9161 10.0930 10.0930 10.3607 10.3607 11.2525 11.2525 11.3726 11.3726 11.3807 11.3807 11.9401 11.9401 12.0211 12.0211 12.5704 12.5704 12.6338 12.6338 12.6619 12.6619 12.6832 12.6832 13.0243 13.0243 13.1243 13.1243 13.1810 13.1810 14.7624 14.7624 14.7931 14.7931 19.6810 19.6810 20.4019 20.4019 k = 0.4766 0.4766-0.0000 ( 1450 PWs) bands (ev): 5.6077 5.6077 7.8974 7.8974 7.9199 7.9199 10.0943 10.0943 10.3688 10.3688 11.2508 11.2508 11.3670 11.3670 11.3825 11.3825 11.9382 11.9382 12.0224 12.0224 12.5692 12.5692 12.6278 12.6278 12.6662 12.6662 12.6932 12.6932 13.0230 13.0230 13.1317 13.1317 13.1880 13.1880 14.7657 14.7657 14.8045 14.8045 19.6503 19.6503 20.3955 20.3955 k = 0.4688 0.4687-0.0000 ( 1438 PWs) bands (ev): 5.5831 5.5831 7.9005 7.9005 7.9260 7.9260 10.0962 10.0962 10.3796 10.3796 11.2488 11.2488 11.3589 11.3589 11.3857 11.3857 11.9336 11.9336 12.0265 12.0265 12.5670 12.5670 12.6220 12.6220 12.6724 12.6724 12.7052 12.7052 13.0216 13.0216 13.1416 13.1416 13.1979 13.1979 14.7681 14.7681 14.8231 14.8231 19.6082 19.6082 20.3866 20.3866 k = 0.4609 0.4609-0.0000 ( 1444 PWs) bands (ev): 5.5517 5.5517 7.9039 7.9039 7.9347 7.9347 10.0983 10.0983 10.3925 10.3925 11.2461 11.2461 11.3487 11.3487 11.3896 11.3896 11.9252 11.9252 12.0338 12.0338 12.5627 12.5627 12.6171 12.6171 12.6799 12.6799 12.7190 12.7190 13.0195 13.0195 13.1534 13.1534 13.2101 13.2101 14.7694 14.7694 14.8488 14.8488 19.5555 19.5555 20.3753 20.3753 k = 0.4531 0.4531-0.0000 ( 1440 PWs) bands (ev): 5.5138 5.5138 7.9083 7.9083 7.9461 7.9461 10.1011 10.1011 10.4069 10.4069 11.2430 11.2430 11.3367 11.3367 11.3944 11.3944 11.9129 11.9129 12.0449 12.0449 12.5560 12.5560 12.6143 12.6143 12.6897 12.6897 12.7346 12.7346 13.0172 13.0172 13.1670 13.1670 13.2246 13.2246 14.7703 14.7703 14.8820 14.8820 19.4931 19.4931 20.3619 20.3619 k = 0.4453 0.4453-0.0000 ( 1430 PWs) bands (ev): 5.4698 5.4698 7.9138 7.9138 7.9599 7.9599 10.1045 10.1045 10.4220 10.4220 11.2400 11.2400 11.3227 11.3227 11.4003 11.4003 11.8972 11.8972 12.0596 12.0596 12.5469 12.5469 12.6141 12.6141 12.7007 12.7007 12.7518 12.7518 13.0145 13.0145 13.1821 13.1821 13.2411 13.2411 14.7710 14.7710 14.9225 14.9225 19.4218 19.4218 20.3466 20.3466 k = 0.4375 0.4375-0.0000 ( 1430 PWs) bands (ev): 5.4198 5.4198 7.9208 7.9208 7.9761 7.9761 10.1082 10.1082 10.4372 10.4372 11.2366 11.2366 11.3073 11.3073 11.4071 11.4071 11.8781 11.8781 12.0772 12.0772 12.5355 12.5355 12.6160 12.6160 12.7131 12.7131 12.7703 12.7703 13.0114 13.0114 13.1984 13.1984 13.2593 13.2593 14.7713 14.7713 14.9707 14.9707 19.3426 19.3426 20.3294 20.3294 k = 0.4297 0.4297-0.0000 ( 1426 PWs) bands (ev): 5.3643 5.3643 7.9298 7.9298 7.9945 7.9945 10.1124 10.1124 10.4518 10.4518 11.2333 11.2333 11.2906 11.2906 11.4147 11.4147 11.8565 11.8565 12.0974 12.0974 12.5225 12.5225 12.6198 12.6198 12.7267 12.7267 12.7900 12.7900 13.0081 13.0081 13.2159 13.2159 13.2788 13.2788 14.7715 14.7715 15.0268 15.0268 19.2565 19.2565 20.3107 20.3107 k = 0.4219 0.4219-0.0000 ( 1430 PWs) bands (ev): 5.3037 5.3037 7.9409 7.9409 8.0150 8.0150 10.1170 10.1170 10.4650 10.4650 11.2298 11.2298 11.2729 11.2729 11.4233 11.4233 11.8325 11.8325 12.1197 12.1197 12.5082 12.5082 12.6252 12.6252 12.7416 12.7416 12.8103 12.8103 13.0043 13.0043 13.2341 13.2341 13.2993 13.2993 14.7714 14.7714 15.0912 15.0912 19.1641 19.1641 20.2907 20.2907 k = 0.4141 0.4141-0.0000 ( 1432 PWs) bands (ev): 5.2384 5.2384 7.9544 7.9544 8.0378 8.0378 10.1220 10.1220 10.4764 10.4764 11.2258 11.2258 11.2551 11.2551 11.4327 11.4327 11.8066 11.8066 12.1439 12.1439 12.4932 12.4932 12.6320 12.6320 12.7577 12.7577 12.8310 12.8310 13.0005 13.0005 13.2530 13.2530 13.3206 13.3206 14.7714 14.7714 15.1641 15.1641 19.0664 19.0664 20.2696 20.2696 k = 0.4062 0.4062-0.0000 ( 1432 PWs) bands (ev): 5.1688 5.1688 7.9704 7.9704 8.0626 8.0626 10.1275 10.1275 10.4856 10.4856 11.2191 11.2191 11.2396 11.2396 11.4432 11.4432 11.7791 11.7791 12.1697 12.1697 12.4776 12.4776 12.6400 12.6400 12.7748 12.7748 12.8515 12.8515 12.9968 12.9968 13.2725 13.2725 13.3427 13.3427 14.7714 14.7714 15.2458 15.2458 18.9640 18.9640 20.2478 20.2478 k = 0.3984 0.3984-0.0000 ( 1432 PWs) bands (ev): 5.0955 5.0955 7.9890 7.9890 8.0894 8.0894 10.1334 10.1334 10.4920 10.4920 11.2050 11.2050 11.2314 11.2314 11.4546 11.4546 11.7503 11.7503 12.1968 12.1968 12.4615 12.4615 12.6493 12.6493 12.7929 12.7929 12.8712 12.8712 12.9936 12.9936 13.2923 13.2923 13.3652 13.3652 14.7713 14.7713 15.3365 15.3365 18.8576 18.8576 20.2253 20.2253 k = 0.3906 0.3906-0.0000 ( 1432 PWs) bands (ev): 5.0187 5.0187 8.0102 8.0102 8.1183 8.1183 10.1397 10.1397 10.4956 10.4956 11.1856 11.1856 11.2285 11.2285 11.4669 11.4669 11.7204 11.7204 12.2248 12.2248 12.4454 12.4454 12.6596 12.6596 12.8118 12.8118 12.8893 12.8893 12.9918 12.9918 13.3121 13.3121 13.3882 13.3882 14.7711 14.7711 15.4363 15.4363 18.7476 18.7476 20.2025 20.2025 k = 0.3828 0.3828-0.0000 ( 1428 PWs) bands (ev): 4.9391 4.9391 8.0341 8.0341 8.1490 8.1490 10.1464 10.1464 10.4962 10.4962 11.1643 11.1643 11.2280 11.2280 11.4800 11.4800 11.6897 11.6897 12.2534 12.2534 12.4294 12.4294 12.6710 12.6710 12.8313 12.8313 12.9044 12.9044 12.9926 12.9926 13.3319 13.3319 13.4117 13.4117 14.7708 14.7708 15.5452 15.5452 18.6348 18.6348 20.1795 20.1795 k = 0.3750 0.3750-0.0000 ( 1428 PWs) bands (ev): 4.8569 4.8569 8.0606 8.0606 8.1816 8.1816 10.1534 10.1534 10.4936 10.4936 11.1421 11.1421 11.2286 11.2286 11.4937 11.4937 11.6585 11.6585 12.2816 12.2816 12.4143 12.4143 12.6833 12.6833 12.8512 12.8512 12.9152 12.9152 12.9973 12.9973 13.3514 13.3514 13.4353 13.4353 14.7703 14.7703 15.6632 15.6632 18.5194 18.5194 20.1567 20.1567 k = 0.3672 0.3672-0.0000 ( 1428 PWs) bands (ev): 4.7727 4.7727 8.0897 8.0897 8.2160 8.2160 10.1608 10.1608 10.4880 10.4880 11.1194 11.1194 11.2306 11.2306 11.5074 11.5074 11.6273 11.6273 12.3070 12.3070 12.4024 12.4024 12.6967 12.6967 12.8705 12.8705 12.9218 12.9218 13.0066 13.0066 13.3706 13.3706 13.4592 13.4592 14.7697 14.7697 15.7901 15.7901 18.4020 18.4020 20.1342 20.1342 k = 0.3594 0.3594-0.0000 ( 1428 PWs) bands (ev): 4.6868 4.6868 8.1213 8.1213 8.2522 8.2522 10.1686 10.1686 10.4795 10.4795 11.0962 11.0962 11.2336 11.2336 11.5201 11.5201 11.5977 11.5977 12.3233 12.3233 12.3998 12.3998 12.7109 12.7109 12.8869 12.8869 12.9273 12.9273 13.0197 13.0197 13.3894 13.3894 13.4833 13.4833 14.7690 14.7690 15.9258 15.9258 18.2829 18.2829 20.1121 20.1121 k = 0.3516 0.3516-0.0000 ( 1432 PWs) bands (ev): 4.5995 4.5995 8.1553 8.1553 8.2900 8.2900 10.1766 10.1766 10.4683 10.4683 11.0726 11.0726 11.2376 11.2376 11.5247 11.5247 11.5768 11.5768 12.3229 12.3229 12.4138 12.4138 12.7259 12.7259 12.8954 12.8954 12.9382 12.9382 13.0349 13.0349 13.4076 13.4076 13.5074 13.5074 14.7681 14.7681 16.0699 16.0699 18.1624 18.1624 20.0906 20.0906 k = 0.3438 0.3437-0.0000 ( 1432 PWs) bands (ev): 4.5112 4.5112 8.1917 8.1917 8.3295 8.3295 10.1849 10.1849 10.4546 10.4546 11.0486 11.0486 11.2430 11.2430 11.5082 11.5082 11.5778 11.5778 12.3106 12.3106 12.4399 12.4399 12.7417 12.7417 12.8953 12.8953 12.9564 12.9564 13.0512 13.0512 13.4253 13.4253 13.5316 13.5316 14.7670 14.7670 16.2221 16.2221 18.0408 18.0408 20.0699 20.0699 k = 0.3359 0.3359-0.0000 ( 1432 PWs) bands (ev): 4.4222 4.4222 8.2302 8.2302 8.3705 8.3705 10.1935 10.1935 10.4386 10.4386 11.0244 11.0244 11.2496 11.2496 11.4789 11.4789 11.5923 11.5923 12.2934 12.2934 12.4710 12.4710 12.7582 12.7582 12.8908 12.8908 12.9783 12.9783 13.0679 13.0679 13.4423 13.4423 13.5559 13.5559 14.7656 14.7656 16.3822 16.3822 17.9184 17.9184 20.0501 20.0501 k = 0.3281 0.3281-0.0000 ( 1428 PWs) bands (ev): 4.3329 4.3329 8.2708 8.2708 8.4129 8.4129 10.2022 10.2022 10.4207 10.4207 11.0000 11.0000 11.2574 11.2574 11.4464 11.4464 11.6111 11.6111 12.2740 12.2740 12.5041 12.5041 12.7751 12.7751 12.8847 12.8847 13.0022 13.0022 13.0846 13.0846 13.4587 13.4587 13.5803 13.5803 14.7640 14.7640 16.5497 16.5497 17.7955 17.7955 20.0313 20.0313 k = 0.3203 0.3203-0.0000 ( 1428 PWs) bands (ev): 4.2434 4.2434 8.3133 8.3133 8.4567 8.4567 10.2112 10.2112 10.4010 10.4010 10.9753 10.9753 11.2666 11.2666 11.4128 11.4128 11.6318 11.6318 12.2534 12.2534 12.5383 12.5383 12.7921 12.7921 12.8781 12.8781 13.0264 13.0264 13.1013 13.1013 13.4744 13.4744 13.6043 13.6043 14.7622 14.7622 16.7243 16.7243 17.6722 17.6722 20.0135 20.0135 k = 0.3125 0.3125-0.0000 ( 1428 PWs) bands (ev): 4.1541 4.1541 8.3575 8.3575 8.5018 8.5018 10.2204 10.2204 10.3801 10.3801 10.9504 10.9504 11.2771 11.2771 11.3788 11.3788 11.6541 11.6541 12.2320 12.2320 12.5732 12.5732 12.8081 12.8081 12.8725 12.8725 13.0507 13.0507 13.1180 13.1180 13.4892 13.4892 13.6282 13.6282 14.7600 14.7600 16.9055 16.9055 17.5488 17.5488 19.9968 19.9968 k = 0.3047 0.3047-0.0000 ( 1428 PWs) bands (ev): 4.0651 4.0651 8.4032 8.4032 8.5482 8.5482 10.2296 10.2296 10.3581 10.3581 10.9253 10.9253 11.2886 11.2886 11.3451 11.3451 11.6777 11.6777 12.2104 12.2104 12.6083 12.6083 12.8204 12.8204 12.8707 12.8707 13.0747 13.0747 13.1349 13.1349 13.5035 13.5035 13.6519 13.6519 14.7575 14.7575 17.0928 17.0928 17.4255 17.4255 19.9813 19.9813 k = 0.2969 0.2969-0.0000 ( 1428 PWs) bands (ev): 3.9767 3.9767 8.4503 8.4503 8.5956 8.5956 10.2387 10.2387 10.3356 10.3356 10.9003 10.9003 11.2986 11.2986 11.3142 11.3142 11.7024 11.7024 12.1883 12.1883 12.6436 12.6436 12.8247 12.8247 12.8772 12.8772 13.0980 13.0980 13.1526 13.1526 13.5167 13.5167 13.6753 13.6753 14.7546 14.7546 17.2802 17.2802 17.3083 17.3083 19.9671 19.9671 k = 0.2891 0.2891-0.0000 ( 1424 PWs) bands (ev): 3.8891 3.8891 8.4985 8.4985 8.6440 8.6440 10.2473 10.2473 10.3132 10.3132 10.8753 10.8753 11.2749 11.2749 11.3185 11.3185 11.7285 11.7285 12.1662 12.1662 12.6791 12.6791 12.8213 12.8213 12.8918 12.8918 13.1199 13.1199 13.1717 13.1717 13.5292 13.5292 13.6986 13.6986 14.7512 14.7512 17.1785 17.1785 17.4861 17.4861 19.9540 19.9540 k = 0.2812 0.2812-0.0000 ( 1420 PWs) bands (ev): 3.8024 3.8024 8.5476 8.5476 8.6933 8.6933 10.2533 10.2533 10.2931 10.2931 10.8503 10.8503 11.2418 11.2418 11.3342 11.3342 11.7555 11.7555 12.1442 12.1442 12.7145 12.7145 12.8142 12.8142 12.9109 12.9109 13.1397 13.1397 13.1925 13.1925 13.5407 13.5407 13.7214 13.7214 14.7474 14.7474 17.0564 17.0564 17.6899 17.6899 19.9421 19.9421 k = 0.2734 0.2734-0.0000 ( 1424 PWs) bands (ev): 3.7168 3.7168 8.5973 8.5973 8.7434 8.7434 10.2486 10.2486 10.2836 10.2836 10.8254 10.8254 11.2085 11.2085 11.3516 11.3516 11.7836 11.7836 12.1225 12.1225 12.7495 12.7495 12.8052 12.8052 12.9318 12.9318 13.1571 13.1571 13.2153 13.2153 13.5511 13.5511 13.7437 13.7437 14.7430 14.7430 16.9347 16.9347 17.8986 17.8986 19.9315 19.9315 k = 0.2656 0.2656-0.0000 ( 1424 PWs) bands (ev): 3.6324 3.6324 8.6473 8.6473 8.7942 8.7942 10.2305 10.2305 10.2879 10.2879 10.8008 10.8008 11.1754 11.1754 11.3707 11.3707 11.8128 11.8128 12.1013 12.1013 12.7841 12.7841 12.7958 12.7958 12.9541 12.9541 13.1725 13.1725 13.2398 13.2398 13.5606 13.5606 13.7656 13.7656 14.7381 14.7381 16.8136 16.8136 18.1115 18.1115 19.9221 19.9221 k = 0.2578 0.2578-0.0000 ( 1422 PWs) bands (ev): 3.5495 3.5495 8.6975 8.6975 8.8455 8.8455 10.2086 10.2086 10.2966 10.2966 10.7766 10.7766 11.1427 11.1427 11.3911 11.3911 11.8432 11.8432 12.0809 12.0809 12.7853 12.7853 12.8189 12.8189 12.9770 12.9770 13.1864 13.1864 13.2654 13.2654 13.5692 13.5692 13.7872 13.7872 14.7326 14.7326 16.6935 16.6935 18.3284 18.3284 19.9140 19.9140 k = 0.2500 0.2500-0.0000 ( 1422 PWs) bands (ev): 3.4681 3.4681 8.7473 8.7473 8.8973 8.8973 10.1862 10.1862 10.3064 10.3064 10.7527 10.7527 11.1105 11.1105 11.4129 11.4129 11.8747 11.8747 12.0613 12.0613 12.7751 12.7751 12.8529 12.8529 13.0004 13.0004 13.1991 13.1991 13.2916 13.2916 13.5768 13.5768 13.8083 13.8083 14.7264 14.7264 16.5743 16.5743 18.5484 18.5484 19.9073 19.9073 k = 0.2422 0.2422-0.0000 ( 1422 PWs) bands (ev): 3.3883 3.3883 8.7965 8.7965 8.9494 8.9494 10.1642 10.1642 10.3167 10.3167 10.7294 10.7294 11.0788 11.0788 11.4361 11.4361 11.9073 11.9073 12.0430 12.0430 12.7647 12.7647 12.8864 12.8864 13.0243 13.0243 13.2109 13.2109 13.3183 13.3183 13.5834 13.5834 13.8289 13.8289 14.7196 14.7196 16.4562 16.4562 18.7710 18.7710 19.9024 19.9024 k = 0.2344 0.2344-0.0000 ( 1422 PWs) bands (ev): 3.3103 3.3103 8.8447 8.8447 9.0016 9.0016 10.1432 10.1432 10.3272 10.3272 10.7067 10.7067 11.0477 11.0477 11.4608 11.4608 11.9410 11.9410 12.0260 12.0260 12.7542 12.7542 12.9193 12.9193 13.0484 13.0484 13.2219 13.2219 13.3450 13.3450 13.5890 13.5890 13.8491 13.8491 14.7119 14.7119 16.3392 16.3392 18.9949 18.9949 19.8999 19.8999 k = 0.2266 0.2266-0.0000 ( 1420 PWs) bands (ev): 3.2341 3.2341 8.8914 8.8914 9.0540 9.0540 10.1235 10.1235 10.3379 10.3379 10.6848 10.6848 11.0172 11.0172 11.4868 11.4868 11.9760 11.9760 12.0106 12.0106 12.7439 12.7439 12.9514 12.9514 13.0727 13.0727 13.2323 13.2323 13.3718 13.3718 13.5937 13.5937 13.8687 13.8687 14.7034 14.7034 16.2235 16.2235 19.2178 19.2178 19.9017 19.9017 k = 0.2188 0.2187-0.0000 ( 1420 PWs) bands (ev): 3.1599 3.1599 8.9361 8.9361 9.1062 9.1062 10.1053 10.1053 10.3486 10.3486 10.6638 10.6638 10.9874 10.9874 11.5143 11.5143 11.9968 11.9968 12.0124 12.0124 12.7336 12.7336 12.9827 12.9827 13.0972 13.0972 13.2422 13.2422 13.3983 13.3983 13.5973 13.5973 13.8878 13.8878 14.6940 14.6940 16.1092 16.1092 19.4335 19.4335 19.9134 19.9134 k = 0.2109 0.2109-0.0000 ( 1426 PWs) bands (ev): 3.0877 3.0877 8.9785 8.9785 9.1582 9.1582 10.0888 10.0888 10.3593 10.3593 10.6437 10.6437 10.9582 10.9582 11.5431 11.5431 11.9854 11.9854 12.0491 12.0491 12.7234 12.7234 13.0130 13.0130 13.1215 13.1215 13.2515 13.2515 13.4245 13.4245 13.5998 13.5998 13.9063 13.9063 14.6836 14.6836 15.9964 15.9964 19.6218 19.6218 19.9547 19.9547 k = 0.2031 0.2031-0.0000 ( 1422 PWs) bands (ev): 3.0175 3.0175 9.0181 9.0181 9.2099 9.2099 10.0748 10.0748 10.3700 10.3700 10.6250 10.6250 10.9299 10.9299 11.5733 11.5733 11.9763 11.9763 12.0874 12.0874 12.7134 12.7134 13.0424 13.0424 13.1459 13.1459 13.2603 13.2603 13.4504 13.4504 13.6016 13.6016 13.9242 13.9242 14.6723 14.6723 15.8852 15.8852 19.7359 19.7359 20.0717 20.0717 k = 0.1953 0.1953-0.0000 ( 1426 PWs) bands (ev): 2.9496 2.9496 9.0544 9.0544 9.2610 9.2610 10.0624 10.0624 10.3806 10.3806 10.6073 10.6073 10.9023 10.9023 11.6048 11.6048 11.9697 11.9697 12.1266 12.1266 12.7036 12.7036 13.0706 13.0706 13.1700 13.1700 13.2688 13.2688 13.4757 13.4757 13.6024 13.6024 13.9415 13.9415 14.6599 14.6599 15.7756 15.7756 19.7748 19.7748 20.2647 20.2647 k = 0.1875 0.1875-0.0000 ( 1426 PWs) bands (ev): 2.8838 2.8838 9.0871 9.0871 9.3114 9.3114 10.0524 10.0524 10.3911 10.3911 10.5911 10.5911 10.8755 10.8755 11.6376 11.6376 11.9660 11.9660 12.1671 12.1671 12.6940 12.6940 13.0976 13.0976 13.1937 13.1937 13.2769 13.2769 13.5003 13.5003 13.6026 13.6026 13.9582 13.9582 14.6464 14.6464 15.6679 15.6679 19.7836 19.7836 20.4878 20.4878 k = 0.1797 0.1797-0.0000 ( 1418 PWs) bands (ev): 2.8204 2.8204 9.1158 9.1158 9.3611 9.3611 10.0446 10.0446 10.4015 10.4015 10.5765 10.5765 10.8496 10.8496 11.6720 11.6720 11.9654 11.9654 12.2088 12.2088 12.6849 12.6849 13.1234 13.1234 13.2171 13.2171 13.2850 13.2850 13.5239 13.5239 13.6022 13.6022 13.9744 13.9744 14.6318 14.6318 15.5622 15.5622 19.7811 19.7811 20.7213 20.7213 k = 0.1719 0.1719-0.0000 ( 1418 PWs) bands (ev): 2.7593 2.7593 9.1405 9.1405 9.4099 9.4099 10.0389 10.0389 10.4118 10.4118 10.5635 10.5635 10.8246 10.8246 11.7073 11.7073 11.9681 11.9681 12.2514 12.2514 12.6760 12.6760 13.1477 13.1477 13.2390 13.2390 13.2930 13.2930 13.5459 13.5459 13.6019 13.6019 13.9899 13.9899 14.6159 14.6159 15.4584 15.4584 19.7724 19.7724 20.9586 20.9586 k = 0.1641 0.1641-0.0000 ( 1418 PWs) bands (ev): 2.7006 2.7006 9.1609 9.1609 9.4575 9.4575 10.0350 10.0350 10.4218 10.4218 10.5523 10.5523 10.8005 10.8005 11.7437 11.7437 11.9744 11.9744 12.2950 12.2950 12.6674 12.6674 13.1703 13.1703 13.2591 13.2591 13.3018 13.3018 13.5642 13.5642 13.6037 13.6037 14.0048 14.0048 14.5988 14.5988 15.3570 15.3570 19.7590 19.7590 21.1940 21.1940 k = 0.1562 0.1562-0.0000 ( 1420 PWs) bands (ev): 2.6444 2.6444 9.1772 9.1772 9.5039 9.5039 10.0327 10.0327 10.4316 10.4316 10.5428 10.5428 10.7773 10.7773 11.7813 11.7813 11.9844 11.9844 12.3392 12.3392 12.6592 12.6592 13.1913 13.1913 13.2757 13.2757 13.3128 13.3128 13.5745 13.5745 13.6121 13.6121 14.0189 14.0189 14.5804 14.5804 15.2579 15.2579 19.7411 19.7411 21.3113 21.3113 k = 0.1484 0.1484-0.0000 ( 1420 PWs) bands (ev): 2.5906 2.5906 9.1896 9.1896 9.5490 9.5490 10.0317 10.0317 10.4412 10.4412 10.5352 10.5352 10.7551 10.7551 11.8200 11.8200 11.9983 11.9983 12.3844 12.3844 12.6515 12.6515 13.2103 13.2103 13.2876 13.2876 13.3272 13.3272 13.5757 13.5757 13.6278 13.6278 14.0325 14.0325 14.5607 14.5607 15.1613 15.1613 19.7185 19.7185 21.1967 21.1967 k = 0.1406 0.1406-0.0000 ( 1420 PWs) bands (ev): 2.5394 2.5394 9.1985 9.1985 9.5925 9.5925 10.0314 10.0314 10.4504 10.4504 10.5295 10.5295 10.7339 10.7339 11.8597 11.8597 12.0160 12.0160 12.4302 12.4302 12.6445 12.6445 13.2272 13.2272 13.2952 13.2952 13.3442 13.3442 13.5725 13.5725 13.6464 13.6464 14.0453 14.0453 14.5398 14.5398 15.0676 15.0676 19.6905 19.6905 21.0806 21.0806 k = 0.1328 0.1328-0.0000 ( 1416 PWs) bands (ev): 2.4908 2.4908 9.2041 9.2041 9.6345 9.6345 10.0315 10.0315 10.4592 10.4592 10.5255 10.5255 10.7138 10.7138 11.9004 11.9004 12.0378 12.0378 12.4763 12.4763 12.6385 12.6385 13.2419 13.2419 13.3001 13.3001 13.3626 13.3626 13.5675 13.5675 13.6654 13.6654 14.0575 14.0575 14.5176 14.5176 14.9768 14.9768 19.6569 19.6569 20.9733 20.9733 k = 0.1250 0.1250-0.0000 ( 1416 PWs) bands (ev): 2.4447 2.4447 9.2070 9.2070 9.6748 9.6748 10.0317 10.0317 10.4677 10.4677 10.5231 10.5231 10.6946 10.6946 11.9419 11.9419 12.0633 12.0633 12.5214 12.5214 12.6343 12.6343 13.2541 13.2541 13.3031 13.3031 13.3807 13.3807 13.5613 13.5613 13.6839 13.6839 14.0689 14.0689 14.4942 14.4942 14.8894 14.8894 19.6172 19.6172 20.8764 20.8764 k = 0.1172 0.1172-0.0000 ( 1416 PWs) bands (ev): 2.4014 2.4014 9.2075 9.2075 9.7131 9.7131 10.0316 10.0316 10.4757 10.4757 10.5222 10.5222 10.6766 10.6766 11.9843 11.9843 12.0925 12.0925 12.5625 12.5625 12.6352 12.6352 13.2635 13.2635 13.3046 13.3046 13.3981 13.3981 13.5544 13.5544 13.7018 13.7018 14.0797 14.0797 14.4696 14.4696 14.8055 14.8055 19.5713 19.5713 20.7909 20.7909 k = 0.1094 0.1094-0.0000 ( 1412 PWs) bands (ev): 2.3606 2.3606 9.2063 9.2063 9.7495 9.7495 10.0311 10.0311 10.4836 10.4836 10.5224 10.5224 10.6599 10.6599 12.0275 12.0275 12.1251 12.1251 12.5888 12.5888 12.6518 12.6518 13.2699 13.2699 13.3046 13.3046 13.4146 13.4146 13.5471 13.5471 13.7188 13.7188 14.0896 14.0896 14.4439 14.4439 14.7256 14.7256 19.5197 19.5197 20.7167 20.7167 k = 0.1016 0.1016-0.0000 ( 1410 PWs) bands (ev): 2.3226 2.3226 9.2036 9.2036 9.7838 9.7838 10.0302 10.0302 10.4906 10.4906 10.5236 10.5236 10.6441 10.6441 12.0715 12.0715 12.1607 12.1607 12.5953 12.5953 12.6888 12.6888 13.2731 13.2731 13.3032 13.3032 13.4299 13.4299 13.5398 13.5398 13.7349 13.7349 14.0988 14.0988 14.4173 14.4173 14.6500 14.6500 19.4632 19.4632 20.6536 20.6536 k = 0.0938 0.0937-0.0000 ( 1410 PWs) bands (ev): 2.2873 2.2873 9.1997 9.1997 9.8160 9.8160 10.0288 10.0288 10.4970 10.4970 10.5255 10.5255 10.6293 10.6293 12.1161 12.1161 12.1987 12.1987 12.5943 12.5943 12.7338 12.7338 13.2730 13.2730 13.3001 13.3001 13.4439 13.4439 13.5323 13.5323 13.7499 13.7499 14.1072 14.1072 14.3899 14.3899 14.5791 14.5791 19.4029 19.4029 20.6009 20.6009 k = 0.0859 0.0859-0.0000 ( 1408 PWs) bands (ev): 2.2548 2.2548 9.1952 9.1952 9.8458 9.8458 10.0270 10.0270 10.5029 10.5029 10.5280 10.5280 10.6158 10.6158 12.1612 12.1612 12.2385 12.2385 12.5916 12.5916 12.7809 12.7809 13.2696 13.2696 13.2950 13.2950 13.4564 13.4564 13.5250 13.5250 13.7639 13.7639 14.1146 14.1146 14.3619 14.3619 14.5136 14.5136 19.3405 19.3405 20.5573 20.5573 k = 0.0781 0.0781-0.0000 ( 1400 PWs) bands (ev): 2.2250 2.2250 9.1903 9.1903 9.8734 9.8734 10.0250 10.0250 10.5082 10.5082 10.5307 10.5307 10.6037 10.6037 12.2067 12.2067 12.2795 12.2795 12.5888 12.5888 12.8283 12.8283 13.2631 13.2631 13.2877 13.2877 13.4671 13.4671 13.5183 13.5183 13.7770 13.7770 14.1212 14.1212 14.3337 14.3337 14.4538 14.4538 19.2775 19.2775 20.5218 20.5218 k = 0.0703 0.0703-0.0000 ( 1400 PWs) bands (ev): 2.1980 2.1980 9.1851 9.1851 9.8985 9.8985 10.0226 10.0226 10.5128 10.5128 10.5335 10.5335 10.5925 10.5925 12.2521 12.2521 12.3211 12.3211 12.5862 12.5862 12.8752 12.8752 13.2538 13.2538 13.2776 13.2776 13.4760 13.4760 13.5119 13.5119 13.7886 13.7886 14.1266 14.1266 14.3056 14.3056 14.4002 14.4002 19.2155 19.2155 20.4931 20.4931 k = 0.0625 0.0625-0.0000 ( 1394 PWs) bands (ev): 2.1738 2.1738 9.1799 9.1799 9.9211 9.9211 10.0202 10.0202 10.5168 10.5168 10.5365 10.5365 10.5826 10.5826 12.2970 12.2970 12.3622 12.3622 12.5844 12.5844 12.9209 12.9209 13.2420 13.2420 13.2649 13.2649 13.4831 13.4831 13.5061 13.5061 13.7992 13.7992 14.1306 14.1306 14.2781 14.2781 14.3533 14.3533 19.1562 19.1562 20.4701 20.4701 k = 0.0547 0.0547-0.0000 ( 1387 PWs) bands (ev): 2.1524 2.1524 9.1750 9.1750 9.9413 9.9413 10.0177 10.0177 10.5202 10.5202 10.5393 10.5393 10.5742 10.5742 12.3407 12.3407 12.4019 12.4019 12.5838 12.5838 12.9648 12.9648 13.2283 13.2283 13.2495 13.2495 13.4880 13.4880 13.5011 13.5011 13.8085 13.8085 14.1330 14.1330 14.2525 14.2525 14.3129 14.3129 19.1009 19.1009 20.4518 20.4518 k = 0.0469 0.0469-0.0000 ( 1387 PWs) bands (ev): 2.1338 2.1338 9.1705 9.1705 9.9588 9.9588 10.0153 10.0153 10.5227 10.5227 10.5418 10.5418 10.5669 10.5669 12.3826 12.3826 12.4387 12.4387 12.5850 12.5850 13.0062 13.0062 13.2131 13.2131 13.2318 13.2318 13.4909 13.4909 13.4968 13.4968 13.8165 13.8165 14.1329 14.1329 14.2299 14.2299 14.2789 14.2789 19.0507 19.0507 20.4373 20.4373 k = 0.0391 0.0391-0.0000 ( 1387 PWs) bands (ev): 2.1181 2.1181 9.1664 9.1664 9.9736 9.9736 10.0132 10.0132 10.5245 10.5245 10.5440 10.5440 10.5609 10.5609 12.4217 12.4217 12.4708 12.4708 12.5888 12.5888 13.0444 13.0444 13.1973 13.1973 13.2127 13.2127 13.4917 13.4917 13.4935 13.4935 13.8232 13.8232 14.1299 14.1299 14.2122 14.2122 14.2507 14.2507 19.0066 19.0066 20.4260 20.4260 k = 0.0312 0.0312-0.0000 ( 1387 PWs) bands (ev): 2.1052 2.1052 9.1630 9.1630 9.9858 9.9858 10.0113 10.0113 10.5256 10.5256 10.5459 10.5459 10.5564 10.5564 12.4567 12.4567 12.4959 12.4959 12.5964 12.5964 13.0782 13.0782 13.1819 13.1819 13.1933 13.1933 13.4900 13.4900 13.4917 13.4917 13.8287 13.8287 14.1240 14.1240 14.2002 14.2002 14.2280 14.2280 18.9695 18.9695 20.4174 20.4174 k = 0.0234 0.0234-0.0000 ( 1387 PWs) bands (ev): 2.0952 2.0952 9.1602 9.1602 9.9954 9.9954 10.0098 10.0098 10.5262 10.5262 10.5475 10.5475 10.5531 10.5531 12.4863 12.4863 12.5127 12.5127 12.6077 12.6077 13.1067 13.1067 13.1679 13.1679 13.1752 13.1752 13.4879 13.4879 13.4898 13.4898 13.8329 13.8329 14.1166 14.1166 14.1932 14.1932 14.2103 14.2103 18.9400 18.9400 20.4112 20.4112 k = 0.0156 0.0156-0.0000 ( 1383 PWs) bands (ev): 2.0880 2.0880 9.1582 9.1582 10.0022 10.0022 10.0087 10.0087 10.5264 10.5264 10.5486 10.5486 10.5510 10.5510 12.5091 12.5091 12.5223 12.5223 12.6199 12.6199 13.1284 13.1284 13.1567 13.1567 13.1602 13.1602 13.4865 13.4865 13.4877 13.4877 13.8360 13.8360 14.1098 14.1098 14.1897 14.1897 14.1978 14.1978 18.9185 18.9185 20.4069 20.4069 k = 0.0078 0.0078-0.0000 ( 1375 PWs) bands (ev): 2.0838 2.0838 9.1570 9.1570 10.0064 10.0064 10.0080 10.0080 10.5264 10.5264 10.5494 10.5494 10.5500 10.5500 12.5235 12.5235 12.5270 12.5270 12.6293 12.6293 13.1420 13.1420 13.1493 13.1493 13.1503 13.1503 13.4856 13.4856 13.4860 13.4860 13.8380 13.8380 14.1053 14.1053 14.1883 14.1883 14.1903 14.1903 18.9055 18.9055 20.4044 20.4044 k = 0.0000 0.0000 0.0000 ( 1365 PWs) bands (ev): 2.0823 2.0823 9.1567 9.1567 10.0079 10.0079 10.0079 10.0079 10.5265 10.5265 10.5498 10.5498 10.5498 10.5498 12.5284 12.5284 12.5284 12.5284 12.6328 12.6328 13.1467 13.1467 13.1467 13.1467 13.1467 13.1467 13.4854 13.4854 13.4854 13.4854 13.8387 13.8387 14.1038 14.1038 14.1879 14.1879 14.1879 14.1879 18.9012 18.9012 20.4036 20.4036 k = 0.0000 0.0000 0.0000 ( 1365 PWs) bands (ev): 2.0823 2.0823 9.1567 9.1567 10.0079 10.0079 10.0079 10.0079 10.5265 10.5265 10.5498 10.5498 10.5498 10.5498 12.5284 12.5284 12.5284 12.5284 12.6328 12.6328 13.1467 13.1467 13.1467 13.1467 13.1467 13.1467 13.4854 13.4854 13.4854 13.4854 13.8387 13.8387 14.1038 14.1038 14.1879 14.1879 14.1879 14.1879 18.9012 18.9012 20.4036 20.4036 k = 0.0064 0.0064 0.0064 ( 1371 PWs) bands (ev): 2.0838 2.0838 9.1571 9.1571 10.0073 10.0073 10.0073 10.0073 10.5265 10.5265 10.5495 10.5495 10.5500 10.5500 12.5232 12.5232 12.5272 12.5272 12.6293 12.6293 13.1445 13.1445 13.1451 13.1451 13.1520 13.1520 13.4858 13.4858 13.4859 13.4859 13.8380 13.8380 14.1053 14.1053 14.1882 14.1882 14.1904 14.1904 18.9056 18.9056 20.4055 20.4055 k = 0.0128 0.0128 0.0128 ( 1386 PWs) bands (ev): 2.0881 2.0881 9.1581 9.1581 10.0052 10.0052 10.0054 10.0054 10.5263 10.5263 10.5486 10.5486 10.5511 10.5511 12.5075 12.5075 12.5237 12.5237 12.6197 12.6197 13.1380 13.1380 13.1402 13.1402 13.1671 13.1671 13.4868 13.4868 13.4874 13.4874 13.8359 13.8359 14.1098 14.1098 14.1893 14.1893 14.1982 14.1982 18.9188 18.9188 20.4113 20.4114 k = 0.0192 0.0192 0.0192 ( 1386 PWs) bands (ev): 2.0953 2.0953 9.1602 9.1602 10.0023 10.0023 10.0027 10.0027 10.5259 10.5259 10.5478 10.5478 10.5531 10.5531 12.4817 12.4817 12.5179 12.5179 12.6061 12.6061 13.1278 13.1278 13.1327 13.1327 13.1900 13.1900 13.4883 13.4883 13.4895 13.4895 13.8329 13.8329 14.1166 14.1166 14.1925 14.1925 14.2113 14.2113 18.9407 18.9407 20.4210 20.4210 k = 0.0256 0.0256 0.0256 ( 1386 PWs) bands (ev): 2.1055 2.1055 9.1630 9.1630 9.9981 9.9981 9.9988 9.9988 10.5247 10.5247 10.5476 10.5476 10.5558 10.5558 12.4465 12.4465 12.5099 12.5099 12.5902 12.5902 13.1144 13.1144 13.1228 13.1228 13.2184 13.2184 13.4897 13.4897 13.4918 13.4918 13.8286 13.8286 14.1238 14.1238 14.1991 14.1991 14.2291 14.2291 18.9713 18.9713 20.4346 20.4346 k = 0.0321 0.0321 0.0321 ( 1386 PWs) bands (ev): 2.1185 2.1185 9.1667 9.1667 9.9927 9.9927 9.9937 9.9937 10.5218 10.5218 10.5484 10.5484 10.5594 10.5594 12.4039 12.4039 12.4997 12.4997 12.5725 12.5725 13.0986 13.0986 13.1113 13.1113 13.2502 13.2502 13.4906 13.4906 13.4936 13.4936 13.8229 13.8229 14.1292 14.1292 14.2110 14.2110 14.2514 14.2514 19.0105 19.0105 20.4523 20.4523 k = 0.0385 0.0385 0.0385 ( 1385 PWs) bands (ev): 2.1343 2.1343 9.1710 9.1710 9.9860 9.9860 9.9875 9.9875 10.5170 10.5170 10.5507 10.5507 10.5638 10.5638 12.3559 12.3559 12.4876 12.4876 12.5533 12.5533 13.0811 13.0811 13.0987 13.0987 13.2837 13.2837 13.4906 13.4906 13.4946 13.4946 13.8159 13.8159 14.1315 14.1315 14.2292 14.2292 14.2776 14.2776 19.0581 19.0581 20.4739 20.4739 k = 0.0449 0.0449 0.0449 ( 1385 PWs) bands (ev): 2.1531 2.1531 9.1761 9.1761 9.9782 9.9782 9.9801 9.9801 10.5104 10.5104 10.5543 10.5543 10.5691 10.5691 12.3040 12.3040 12.4736 12.4736 12.5326 12.5326 13.0625 13.0625 13.0854 13.0854 13.3178 13.3178 13.4894 13.4894 13.4944 13.4944 13.8074 13.8074 14.1310 14.1310 14.2532 14.2532 14.3072 14.3072 19.1139 19.1139 20.4996 20.4996 k = 0.0513 0.0513 0.0513 ( 1391 PWs) bands (ev): 2.1747 2.1747 9.1818 9.1818 9.9691 9.9691 9.9715 9.9715 10.5019 10.5019 10.5590 10.5590 10.5751 10.5751 12.2496 12.2496 12.4579 12.4579 12.5105 12.5105 13.0433 13.0433 13.0716 13.0716 13.3515 13.3515 13.4869 13.4869 13.4929 13.4929 13.7973 13.7973 14.1283 14.1283 14.2816 14.2816 14.3396 14.3396 19.1779 19.1779 20.5295 20.5295 k = 0.0577 0.0577 0.0577 ( 1400 PWs) bands (ev): 2.1991 2.1991 9.1879 9.1879 9.9587 9.9587 9.9616 9.9616 10.4916 10.4916 10.5647 10.5647 10.5819 10.5819 12.1938 12.1938 12.4407 12.4407 12.4872 12.4872 13.0237 13.0237 13.0576 13.0576 13.3840 13.3840 13.4830 13.4830 13.4903 13.4903 13.7856 13.7856 14.1241 14.1241 14.3136 14.3136 14.3743 14.3743 19.2497 19.2497 20.5635 20.5636 k = 0.0641 0.0641 0.0641 ( 1400 PWs) bands (ev): 2.2264 2.2264 9.1946 9.1946 9.9471 9.9471 9.9505 9.9505 10.4799 10.4799 10.5717 10.5717 10.5898 10.5898 12.1376 12.1376 12.4223 12.4223 12.4630 12.4630 13.0042 13.0042 13.0437 13.0437 13.4144 13.4144 13.4778 13.4778 13.4869 13.4869 13.7724 13.7724 14.1192 14.1192 14.3483 14.3483 14.4109 14.4109 19.3293 19.3293 20.6019 20.6019 k = 0.0705 0.0705 0.0705 ( 1406 PWs) bands (ev): 2.2565 2.2565 9.2015 9.2015 9.9342 9.9342 9.9382 9.9382 10.4665 10.4665 10.5796 10.5796 10.5986 10.5986 12.0815 12.0815 12.4028 12.4028 12.4382 12.4382 12.9848 12.9848 13.0297 13.0297 13.4403 13.4403 13.4711 13.4711 13.4850 13.4850 13.7571 13.7571 14.1138 14.1138 14.3848 14.3848 14.4488 14.4488 19.4162 19.4162 20.6447 20.6447 k = 0.0769 0.0769 0.0769 ( 1406 PWs) bands (ev): 2.2894 2.2894 9.2087 9.2087 9.9203 9.9203 9.9247 9.9247 10.4515 10.4515 10.5886 10.5886 10.6084 10.6084 12.0264 12.0264 12.3825 12.3825 12.4130 12.4130 12.9659 12.9659 13.0159 13.0159 13.4536 13.4536 13.4633 13.4633 13.4928 13.4928 13.7404 13.7404 14.1081 14.1081 14.4225 14.4225 14.4874 14.4874 19.5104 19.5104 20.6919 20.6919 k = 0.0833 0.0833 0.0833 ( 1406 PWs) bands (ev): 2.3250 2.3250 9.2160 9.2160 9.9052 9.9052 9.9101 9.9101 10.4349 10.4349 10.5985 10.5985 10.6190 10.6190 11.9725 11.9725 12.3614 12.3614 12.3875 12.3875 12.9474 12.9474 13.0022 13.0022 13.4514 13.4514 13.4544 13.4544 13.5130 13.5130 13.7220 13.7220 14.1022 14.1022 14.4609 14.4609 14.5264 14.5264 19.6115 19.6115 20.7436 20.7436 k = 0.0897 0.0897 0.0897 ( 1406 PWs) bands (ev): 2.3635 2.3635 9.2231 9.2231 9.8890 9.8890 9.8944 9.8944 10.4168 10.4168 10.6093 10.6093 10.6306 10.6306 11.9205 11.9205 12.3399 12.3399 12.3620 12.3620 12.9293 12.9293 12.9887 12.9887 13.4432 13.4432 13.4444 13.4444 13.5361 13.5361 13.7018 13.7018 14.0964 14.0964 14.4995 14.4995 14.5652 14.5652 19.7193 19.7193 20.7999 20.7999 k = 0.0962 0.0962 0.0962 ( 1418 PWs) bands (ev): 2.4046 2.4046 9.2298 9.2298 9.8717 9.8717 9.8774 9.8774 10.3973 10.3973 10.6209 10.6209 10.6428 10.6428 11.8707 11.8707 12.3179 12.3179 12.3366 12.3366 12.9118 12.9118 12.9752 12.9752 13.4324 13.4324 13.4334 13.4334 13.5586 13.5586 13.6796 13.6796 14.0904 14.0904 14.5378 14.5378 14.6036 14.6036 19.8335 19.8335 20.8608 20.8608 k = 0.1026 0.1026 0.1026 ( 1421 PWs) bands (ev): 2.4484 2.4484 9.2360 9.2360 9.8536 9.8536 9.8596 9.8596 10.3766 10.3766 10.6336 10.6336 10.6561 10.6561 11.8232 11.8232 12.2956 12.2956 12.3114 12.3114 12.8949 12.8949 12.9621 12.9621 13.4203 13.4203 13.4217 13.4217 13.5795 13.5795 13.6563 13.6563 14.0848 14.0848 14.5755 14.5755 14.6411 14.6411 19.9539 19.9539 20.9264 20.9264 k = 0.1090 0.1090 0.1090 ( 1418 PWs) bands (ev): 2.4949 2.4949 9.2412 9.2412 9.8345 9.8345 9.8409 9.8409 10.3551 10.3551 10.6472 10.6472 10.6702 10.6702 11.7787 11.7787 12.2733 12.2733 12.2867 12.2867 12.8787 12.8787 12.9493 12.9493 13.4072 13.4072 13.4095 13.4095 13.5978 13.5978 13.6325 13.6325 14.0794 14.0794 14.6122 14.6122 14.6776 14.6776 20.0801 20.0801 20.9967 20.9967 k = 0.1154 0.1154 0.1154 ( 1418 PWs) bands (ev): 2.5441 2.5441 9.2452 9.2452 9.8147 9.8147 9.8214 9.8214 10.3331 10.3331 10.6615 10.6615 10.6850 10.6850 11.7371 11.7371 12.2507 12.2507 12.2621 12.2621 12.8631 12.8631 12.9367 12.9367 13.3932 13.3932 13.3966 13.3966 13.5984 13.5984 13.6233 13.6233 14.0742 14.0742 14.6478 14.6478 14.7127 14.7127 20.2119 20.2119 21.0716 21.0719 k = 0.1218 0.1218 0.1218 ( 1424 PWs) bands (ev): 2.5958 2.5958 9.2475 9.2475 9.7942 9.7942 9.8011 9.8011 10.3109 10.3109 10.6767 10.6767 10.7006 10.7006 11.6985 11.6985 12.2278 12.2278 12.2378 12.2378 12.8482 12.8482 12.9243 12.9243 13.3783 13.3783 13.3830 13.3830 13.5728 13.5728 13.6372 13.6372 14.0693 14.0693 14.6818 14.6818 14.7462 14.7462 20.3488 20.3488 21.1512 21.1515 k = 0.1282 0.1282 0.1282 ( 1424 PWs) bands (ev): 2.6502 2.6502 9.2477 9.2477 9.7731 9.7731 9.7802 9.7802 10.2893 10.2893 10.6926 10.6926 10.7168 10.7168 11.6630 11.6630 12.2051 12.2051 12.2140 12.2140 12.8341 12.8341 12.9125 12.9125 13.3630 13.3630 13.3693 13.3693 13.5435 13.5435 13.6519 13.6519 14.0646 14.0646 14.7141 14.7141 14.7779 14.7779 20.4905 20.4905 21.2353 21.2353 k = 0.1346 0.1346 0.1346 ( 1424 PWs) bands (ev): 2.7070 2.7070 9.2453 9.2453 9.7516 9.7516 9.7589 9.7589 10.2688 10.2688 10.7091 10.7091 10.7337 10.7337 11.6307 11.6307 12.1822 12.1822 12.1906 12.1906 12.8208 12.8208 12.9011 12.9011 13.3472 13.3472 13.3554 13.3554 13.5126 13.5126 13.6656 13.6656 14.0601 14.0601 14.7445 14.7445 14.8076 14.8076 20.6361 20.6361 21.3233 21.3235 k = 0.1410 0.1410 0.1410 ( 1424 PWs) bands (ev): 2.7664 2.7664 9.2398 9.2398 9.7297 9.7297 9.7371 9.7371 10.2500 10.2500 10.7263 10.7263 10.7511 10.7511 11.6015 11.6015 12.1593 12.1593 12.1674 12.1674 12.8084 12.8084 12.8903 12.8903 13.3310 13.3310 13.3412 13.3412 13.4803 13.4803 13.6780 13.6780 14.0559 14.0559 14.7728 14.7728 14.8350 14.8350 20.7842 20.7842 21.4126 21.4126 k = 0.1474 0.1474 0.1474 ( 1424 PWs) bands (ev): 2.8281 2.8281 9.2309 9.2309 9.7076 9.7076 9.7151 9.7151 10.2336 10.2336 10.7440 10.7440 10.7690 10.7690 11.5752 11.5752 12.1363 12.1363 12.1445 12.1445 12.7968 12.7968 12.8801 12.8801 13.3144 13.3144 13.3269 13.3269 13.4470 13.4470 13.6892 13.6892 14.0519 14.0519 14.7988 14.7988 14.8601 14.8601 20.9294 20.9294 21.4113 21.4113 k = 0.1538 0.1538 0.1538 ( 1424 PWs) bands (ev): 2.8923 2.8923 9.2181 9.2181 9.6853 9.6853 9.6929 9.6929 10.2204 10.2204 10.7622 10.7622 10.7873 10.7873 11.5517 11.5517 12.1130 12.1130 12.1217 12.1217 12.7863 12.7863 12.8707 12.8707 13.2974 13.2974 13.3127 13.3127 13.4128 13.4128 13.6993 13.6993 14.0481 14.0481 14.8225 14.8225 14.8827 14.8827 21.0395 21.0395 21.2921 21.2921 k = 0.1603 0.1603 0.1603 ( 1436 PWs) bands (ev): 2.9588 2.9588 9.2011 9.2011 9.6629 9.6629 9.6706 9.6706 10.2108 10.2108 10.7807 10.7807 10.8059 10.8059 11.5307 11.5307 12.0895 12.0895 12.0988 12.0988 12.7765 12.7765 12.8618 12.8618 13.2796 13.2796 13.2979 13.2979 13.3778 13.3778 13.7082 13.7082 14.0444 14.0444 14.8438 14.8438 14.9028 14.9028 20.9850 20.9850 21.3355 21.3355 k = 0.1667 0.1667 0.1667 ( 1436 PWs) bands (ev): 3.0276 3.0276 9.1798 9.1798 9.6407 9.6407 9.6484 9.6484 10.2053 10.2053 10.7996 10.7996 10.8247 10.8247 11.5123 11.5123 12.0659 12.0659 12.0762 12.0762 12.7679 12.7679 12.8540 12.8540 13.2618 13.2618 13.2838 13.2838 13.3425 13.3425 13.7162 13.7162 14.0410 14.0410 14.8624 14.8624 14.9202 14.9202 20.8313 20.8313 21.4815 21.4815 k = 0.1731 0.1731 0.1731 ( 1430 PWs) bands (ev): 3.0985 3.0985 9.1543 9.1543 9.6186 9.6186 9.6264 9.6264 10.2042 10.2042 10.8187 10.8187 10.8438 10.8438 11.4963 11.4963 12.0424 12.0424 12.0539 12.0539 12.7604 12.7604 12.8470 12.8470 13.2431 13.2431 13.2699 13.2699 13.3073 13.3073 13.7232 13.7232 14.0376 14.0376 14.8784 14.8784 14.9350 14.9350 20.6625 20.6625 21.6438 21.6438 k = 0.1795 0.1795 0.1795 ( 1424 PWs) bands (ev): 3.1716 3.1716 9.1247 9.1247 9.5970 9.5970 9.6048 9.6048 10.2077 10.2077 10.8378 10.8378 10.8628 10.8628 11.4824 11.4824 12.0188 12.0188 12.0315 12.0315 12.7539 12.7539 12.8411 12.8411 13.2227 13.2227 13.2563 13.2563 13.2734 13.2734 13.7294 13.7294 14.0345 14.0345 14.8917 14.8917 14.9469 14.9469 20.4906 20.4906 21.6581 21.6585 k = 0.1859 0.1859 0.1859 ( 1424 PWs) bands (ev): 3.2468 3.2468 9.0914 9.0914 9.5757 9.5757 9.5834 9.5834 10.2153 10.2153 10.8569 10.8569 10.8816 10.8816 11.4704 11.4704 11.9949 11.9949 12.0091 12.0091 12.7484 12.7484 12.8360 12.8360 13.1986 13.1986 13.2427 13.2427 13.2430 13.2430 13.7347 13.7347 14.0314 14.0314 14.9021 14.9021 14.9558 14.9558 20.3184 20.3184 21.5025 21.5026 k = 0.1923 0.1923 0.1923 ( 1430 PWs) bands (ev): 3.3239 3.3239 9.0548 9.0548 9.5548 9.5548 9.5625 9.5625 10.2268 10.2268 10.8756 10.8756 10.9000 10.9000 11.4602 11.4602 11.9710 11.9710 11.9867 11.9867 12.7438 12.7438 12.8318 12.8318 13.1689 13.1689 13.2173 13.2173 13.2301 13.2301 13.7392 13.7392 14.0284 14.0284 14.9096 14.9096 14.9619 14.9619 20.1468 20.1468 21.3402 21.3406 k = 0.1987 0.1987 0.1987 ( 1430 PWs) bands (ev): 3.4029 3.4029 9.0153 9.0153 9.5347 9.5347 9.5423 9.5423 10.2425 10.2425 10.8942 10.8942 10.9182 10.9182 11.4517 11.4517 11.9473 11.9473 11.9644 11.9644 12.7402 12.7402 12.8285 12.8285 13.1346 13.1346 13.1966 13.1966 13.2177 13.2177 13.7431 13.7431 14.0255 14.0255 14.9143 14.9143 14.9650 14.9650 19.9762 19.9762 21.1786 21.1786 k = 0.2051 0.2051 0.2051 ( 1430 PWs) bands (ev): 3.4837 3.4837 8.9736 8.9736 9.5152 9.5152 9.5228 9.5228 10.2618 10.2618 10.9122 10.9122 10.9357 10.9357 11.4447 11.4447 11.9238 11.9238 11.9424 11.9424 12.7374 12.7374 12.8260 12.8260 13.0977 13.0977 13.1786 13.1786 13.2058 13.2058 13.7463 13.7463 14.0226 14.0226 14.9161 14.9161 14.9651 14.9651 19.8070 19.8070 21.0194 21.0194 k = 0.2115 0.2115 0.2115 ( 1424 PWs) bands (ev): 3.5662 3.5662 8.9301 8.9301 9.4966 9.4966 9.5041 9.5041 10.2844 10.2844 10.9297 10.9297 10.9525 10.9525 11.4392 11.4392 11.9007 11.9007 11.9208 11.9208 12.7353 12.7353 12.8242 12.8242 13.0601 13.0601 13.1622 13.1622 13.1946 13.1946 13.7489 13.7489 14.0198 14.0198 14.9150 14.9150 14.9623 14.9623 19.6393 19.6393 20.8633 20.8633 k = 0.2179 0.2179 0.2179 ( 1424 PWs) bands (ev): 3.6503 3.6503 8.8854 8.8854 9.4789 9.4789 9.4862 9.4862 10.3099 10.3099 10.9462 10.9462 10.9683 10.9683 11.4351 11.4351 11.8781 11.8781 11.8996 11.8996 12.7339 12.7339 12.8228 12.8228 13.0218 13.0218 13.1467 13.1467 13.1839 13.1839 13.7508 13.7508 14.0171 14.0171 14.9110 14.9110 14.9565 14.9565 19.4732 19.4732 20.7108 20.7108 k = 0.2244 0.2244 0.2244 ( 1430 PWs) bands (ev): 3.7358 3.7358 8.8400 8.8400 9.4620 9.4620 9.4692 9.4692 10.3378 10.3378 10.9616 10.9616 10.9828 10.9828 11.4322 11.4322 11.8562 11.8562 11.8789 11.8789 12.7331 12.7331 12.8215 12.8215 12.9837 12.9837 13.1320 13.1320 13.1739 13.1739 13.7523 13.7523 14.0144 14.0144 14.9039 14.9039 14.9475 14.9475 19.3089 19.3089 20.5620 20.5620 k = 0.2308 0.2308 0.2308 ( 1433 PWs) bands (ev): 3.8226 3.8226 8.7943 8.7943 9.4463 9.4463 9.4532 9.4532 10.3680 10.3680 10.9757 10.9757 10.9959 10.9959 11.4307 11.4307 11.8354 11.8354 11.8593 11.8593 12.7327 12.7327 12.8196 12.8196 12.9465 12.9465 13.1181 13.1181 13.1646 13.1646 13.7531 13.7531 14.0117 14.0117 14.8940 14.8940 14.9357 14.9357 19.1465 19.1465 20.4174 20.4174 k = 0.2372 0.2372 0.2372 ( 1430 PWs) bands (ev): 3.9105 3.9105 8.7489 8.7489 9.4316 9.4316 9.4384 9.4384 10.4002 10.4002 10.9884 10.9884 11.0073 11.0073 11.4307 11.4307 11.8159 11.8159 11.8407 11.8407 12.7326 12.7326 12.8159 12.8159 12.9116 12.9116 13.1053 13.1053 13.1563 13.1563 13.7535 13.7535 14.0091 14.0091 14.8812 14.8812 14.9209 14.9209 18.9860 18.9860 20.2771 20.2771 k = 0.2436 0.2436 0.2436 ( 1442 PWs) bands (ev): 3.9995 3.9995 8.7039 8.7039 9.4180 9.4180 9.4246 9.4246 10.4333 10.4333 10.9990 10.9990 11.0165 11.0165 11.4319 11.4319 11.7976 11.7976 11.8232 11.8232 12.7328 12.7328 12.8070 12.8070 12.8820 12.8820 13.0933 13.0933 13.1487 13.1487 13.7533 13.7533 14.0064 14.0064 14.8655 14.8655 14.9032 14.9032 18.8276 18.8276 20.1412 20.1412 k = 0.2500 0.2500 0.2500 ( 1442 PWs) bands (ev): 4.0892 4.0892 8.6600 8.6600 9.4057 9.4057 9.4121 9.4121 10.4683 10.4683 11.0078 11.0078 11.0237 11.0237 11.4344 11.4344 11.7814 11.7814 11.8075 11.8075 12.7332 12.7332 12.7881 12.7881 12.8627 12.8627 13.0824 13.0824 13.1420 13.1420 13.7527 13.7527 14.0037 14.0037 14.8471 14.8471 14.8827 14.8827 18.6713 18.6713 20.0099 20.0099 k = 0.2564 0.2564 0.2564 ( 1442 PWs) bands (ev): 4.1796 4.1796 8.6175 8.6175 9.3947 9.3947 9.4009 9.4009 10.5041 10.5041 11.0143 11.0143 11.0284 11.0284 11.4385 11.4385 11.7672 11.7672 11.7937 11.7937 12.7336 12.7336 12.7593 12.7593 12.8534 12.8534 13.0726 13.0726 13.1361 13.1361 13.7515 13.7515 14.0011 14.0011 14.8259 14.8259 14.8594 14.8594 18.5173 18.5173 19.8834 19.8834 k = 0.2628 0.2628 0.2628 ( 1439 PWs) bands (ev): 4.2704 4.2704 8.5768 8.5768 9.3850 9.3850 9.3909 9.3909 10.5405 10.5405 11.0183 11.0183 11.0304 11.0304 11.4447 11.4447 11.7552 11.7552 11.7819 11.7819 12.7253 12.7253 12.7340 12.7340 12.8493 12.8493 13.0641 13.0641 13.1310 13.1310 13.7498 13.7498 13.9984 13.9984 14.8020 14.8020 14.8335 14.8335 18.3656 18.3656 19.7617 19.7617 k = 0.2692 0.2692 0.2692 ( 1439 PWs) bands (ev): 4.3614 4.3614 8.5382 8.5382 9.3766 9.3766 9.3823 9.3823 10.5770 10.5770 11.0196 11.0196 11.0296 11.0296 11.4522 11.4522 11.7456 11.7456 11.7723 11.7723 12.6892 12.6892 12.7344 12.7344 12.8470 12.8470 13.0568 13.0568 13.1267 13.1267 13.7475 13.7475 13.9958 13.9958 14.7755 14.7755 14.8049 14.8049 18.2164 18.2164 19.6449 19.6449 k = 0.2756 0.2756 0.2756 ( 1439 PWs) bands (ev): 4.4524 4.4524 8.5020 8.5020 9.3697 9.3697 9.3751 9.3751 10.6132 10.6132 11.0181 11.0181 11.0258 11.0258 11.4618 11.4618 11.7383 11.7383 11.7650 11.7650 12.6525 12.6525 12.7345 12.7345 12.8451 12.8451 13.0510 13.0510 13.1232 13.1232 13.7447 13.7447 13.9930 13.9930 14.7466 14.7466 14.7740 14.7740 18.0697 18.0697 19.5331 19.5331 k = 0.2821 0.2821 0.2821 ( 1439 PWs) bands (ev): 4.5429 4.5429 8.4686 8.4686 9.3641 9.3641 9.3693 9.3693 10.6487 10.6487 11.0138 11.0138 11.0191 11.0191 11.4738 11.4738 11.7335 11.7335 11.7601 11.7601 12.6158 12.6158 12.7345 12.7345 12.8429 12.8429 13.0466 13.0466 13.1204 13.1204 13.7413 13.7413 13.9902 13.9902 14.7155 14.7155 14.7408 14.7408 17.9255 17.9255 19.4264 19.4264 k = 0.2885 0.2885 0.2885 ( 1439 PWs) bands (ev): 4.6329 4.6329 8.4383 8.4383 9.3600 9.3600 9.3649 9.3649 10.6830 10.6830 11.0066 11.0066 11.0096 11.0096 11.4884 11.4884 11.7309 11.7309 11.7575 11.7575 12.5793 12.5793 12.7343 12.7343 12.8402 12.8402 13.0435 13.0435 13.1181 13.1181 13.7372 13.7372 13.9874 13.9874 14.6822 14.6822 14.7056 14.7056 17.7842 17.7842 19.3246 19.3246 k = 0.2949 0.2949 0.2949 ( 1439 PWs) bands (ev): 4.7219 4.7219 8.4114 8.4114 9.3574 9.3574 9.3620 9.3620 10.7157 10.7157 10.9966 10.9966 10.9973 10.9973 11.5059 11.5059 11.7306 11.7306 11.7571 11.7571 12.5432 12.5432 12.7339 12.7339 12.8368 12.8368 13.0417 13.0417 13.1162 13.1162 13.7324 13.7324 13.9845 13.9845 14.6471 14.6471 14.6686 14.6686 17.6456 17.6456 19.2279 19.2279 k = 0.3013 0.3013 0.3013 ( 1439 PWs) bands (ev): 4.8096 4.8096 8.3884 8.3884 9.3562 9.3562 9.3606 9.3606 10.7462 10.7462 10.9825 10.9825 10.9840 10.9840 11.5266 11.5266 11.7322 11.7322 11.7589 11.7589 12.5077 12.5077 12.7333 12.7333 12.8326 12.8326 13.0409 13.0409 13.1146 13.1146 13.7269 13.7269 13.9815 13.9815 14.6102 14.6102 14.6300 14.6300 17.5101 17.5101 19.1361 19.1361 k = 0.3077 0.3077 0.3077 ( 1439 PWs) bands (ev): 4.8957 4.8957 8.3696 8.3696 9.3565 9.3565 9.3606 9.3606 10.7742 10.7742 10.9654 10.9654 10.9691 10.9691 11.5508 11.5508 11.7354 11.7354 11.7626 11.7626 12.4729 12.4729 12.7325 12.7325 12.8279 12.8279 13.0409 13.0409 13.1132 13.1132 13.7207 13.7207 13.9785 13.9785 14.5719 14.5719 14.5900 14.5900 17.3776 17.3776 19.0493 19.0493 k = 0.3141 0.3141 0.3141 ( 1445 PWs) bands (ev): 4.9798 4.9798 8.3552 8.3552 9.3584 9.3584 9.3622 9.3622 10.7991 10.7991 10.9464 10.9464 10.9520 10.9520 11.5784 11.5784 11.7401 11.7401 11.7679 11.7679 12.4387 12.4387 12.7317 12.7317 12.8226 12.8226 13.0412 13.0412 13.1115 13.1115 13.7135 13.7135 13.9754 13.9754 14.5324 14.5324 14.5491 14.5491 17.2483 17.2483 18.9673 18.9673 k = 0.3205 0.3205 0.3205 ( 1445 PWs) bands (ev): 5.0615 5.0615 8.3458 8.3458 9.3617 9.3617 9.3652 9.3652 10.8208 10.8208 10.9255 10.9255 10.9331 10.9331 11.6100 11.6100 11.7459 11.7459 11.7749 11.7749 12.4054 12.4054 12.7308 12.7308 12.8169 12.8169 13.0420 13.0420 13.1098 13.1098 13.7055 13.7055 13.9723 13.9723 14.4921 14.4921 14.5075 14.5075 17.1224 17.1224 18.8901 18.8901 k = 0.3269 0.3269 0.3269 ( 1442 PWs) bands (ev): 5.1404 5.1404 8.3415 8.3415 9.3665 9.3665 9.3696 9.3696 10.8389 10.8389 10.9032 10.9032 10.9127 10.9127 11.6453 11.6453 11.7525 11.7525 11.7831 11.7831 12.3729 12.3729 12.7298 12.7298 12.8109 12.8109 13.0428 13.0428 13.1076 13.1076 13.6967 13.6967 13.9692 13.9692 14.4512 14.4512 14.4656 14.4656 17.0000 17.0000 18.8175 18.8175 k = 0.3333 0.3333 0.3333 ( 1436 PWs) bands (ev): 5.2162 5.2162 8.3428 8.3428 9.3728 9.3728 9.3756 9.3756 10.8528 10.8528 10.8796 10.8796 10.8916 10.8916 11.6836 11.6836 11.7598 11.7598 11.7932 11.7932 12.3416 12.3416 12.7289 12.7289 12.8048 12.8048 13.0433 13.0433 13.1048 13.1048 13.6867 13.6867 13.9659 13.9659 14.4102 14.4102 14.4238 14.4238 16.8813 16.8813 18.7494 18.7494 k = 0.3397 0.3397 0.3397 ( 1436 PWs) bands (ev): 5.2885 5.2885 8.3499 8.3499 9.3805 9.3805 9.3830 9.3830 10.8550 10.8550 10.8573 10.8573 10.8750 10.8750 11.7239 11.7239 11.7675 11.7675 11.8054 11.8054 12.3110 12.3110 12.7279 12.7279 12.7985 12.7985 13.0433 13.0433 13.1012 13.1012 13.6757 13.6757 13.9626 13.9626 14.3692 14.3692 14.3823 14.3823 16.7664 16.7664 18.6857 18.6857 k = 0.3462 0.3462 0.3462 ( 1442 PWs) bands (ev): 5.3569 5.3569 8.3628 8.3628 9.3897 9.3897 9.3918 9.3918 10.8292 10.8292 10.8390 10.8390 10.8763 10.8763 11.7624 11.7624 11.7753 11.7753 11.8230 11.8230 12.2811 12.2811 12.7269 12.7269 12.7922 12.7922 13.0424 13.0424 13.0965 13.0965 13.6636 13.6636 13.9592 13.9592 14.3288 14.3288 14.3416 14.3416 16.6554 16.6554 18.6262 18.6262 k = 0.3526 0.3526 0.3526 ( 1442 PWs) bands (ev): 5.4212 5.4212 8.3822 8.3822 9.4003 9.4003 9.4020 9.4020 10.8030 10.8030 10.8147 10.8147 10.8798 10.8798 11.7831 11.7831 11.7917 11.7917 11.8530 11.8530 12.2527 12.2527 12.7260 12.7260 12.7859 12.7859 13.0407 13.0407 13.0907 13.0907 13.6505 13.6505 13.9558 13.9558 14.2893 14.2893 14.3019 14.3019 16.5486 16.5486 18.5707 18.5707 k = 0.3590 0.3590 0.3590 ( 1442 PWs) bands (ev): 5.4811 5.4811 8.4080 8.4080 9.4122 9.4122 9.4135 9.4135 10.7762 10.7762 10.7890 10.7890 10.8806 10.8806 11.7907 11.7907 11.8096 11.8096 11.8968 11.8968 12.2254 12.2254 12.7251 12.7251 12.7797 12.7797 13.0379 13.0379 13.0836 13.0836 13.6364 13.6364 13.9523 13.9523 14.2509 14.2509 14.2638 14.2638 16.4460 16.4460 18.5192 18.5192 k = 0.3654 0.3654 0.3654 ( 1442 PWs) bands (ev): 5.5365 5.5365 8.4401 8.4401 9.4255 9.4255 9.4264 9.4264 10.7490 10.7490 10.7626 10.7626 10.8786 10.8786 11.7981 11.7981 11.8220 11.8220 11.9479 11.9479 12.1995 12.1995 12.7242 12.7242 12.7736 12.7736 13.0339 13.0339 13.0753 13.0753 13.6213 13.6213 13.9487 13.9487 14.2141 14.2141 14.2274 14.2274 16.3479 16.3479 18.4713 18.4713 k = 0.3718 0.3718 0.3718 ( 1442 PWs) bands (ev): 5.5872 5.5872 8.4787 8.4787 9.4401 9.4401 9.4405 9.4405 10.7214 10.7214 10.7357 10.7357 10.8735 10.8735 11.8051 11.8051 11.8321 11.8321 12.0022 12.0022 12.1751 12.1751 12.7232 12.7232 12.7675 12.7675 13.0287 13.0287 13.0655 13.0655 13.6054 13.6054 13.9452 13.9452 14.1793 14.1793 14.1932 14.1932 16.2542 16.2542 18.4270 18.4270 k = 0.3782 0.3782 0.3782 ( 1436 PWs) bands (ev): 5.6333 5.6333 8.5235 8.5235 9.4558 9.4558 9.4558 9.4558 10.6937 10.6937 10.7085 10.7085 10.8656 10.8656 11.8117 11.8117 11.8409 11.8409 12.0573 12.0573 12.1532 12.1532 12.7223 12.7223 12.7617 12.7617 13.0224 13.0224 13.0547 13.0547 13.5888 13.5888 13.9415 13.9415 14.1466 14.1466 14.1612 14.1612 16.1652 16.1652 18.3860 18.3860 k = 0.3846 0.3846 0.3846 ( 1436 PWs) bands (ev): 5.6747 5.6747 8.5743 8.5743 9.4722 9.4722 9.4728 9.4728 10.6658 10.6658 10.6811 10.6811 10.8549 10.8549 11.8177 11.8177 11.8485 11.8485 12.1035 12.1035 12.1425 12.1425 12.7210 12.7210 12.7557 12.7557 13.0146 13.0146 13.0424 13.0424 13.5718 13.5718 13.9377 13.9377 14.1164 14.1164 14.1318 14.1318 16.0809 16.0809 18.3482 18.3482 k = 0.3910 0.3910 0.3910 ( 1445 PWs) bands (ev): 5.7116 5.7116 8.6307 8.6307 9.4897 9.4897 9.4908 9.4908 10.6378 10.6378 10.6534 10.6534 10.8412 10.8412 11.8229 11.8229 11.8549 11.8549 12.1010 12.1010 12.1820 12.1820 12.7193 12.7193 12.7495 12.7495 13.0057 13.0057 13.0290 13.0290 13.5547 13.5547 13.9335 13.9335 14.0888 14.0888 14.1048 14.1048 16.0013 16.0013 18.3134 18.3134 k = 0.3974 0.3974 0.3974 ( 1445 PWs) bands (ev): 5.7443 5.7443 8.6925 8.6925 9.5081 9.5081 9.5098 9.5098 10.6099 10.6099 10.6258 10.6258 10.8249 10.8249 11.8278 11.8278 11.8605 11.8605 12.0839 12.0839 12.2371 12.2371 12.7174 12.7174 12.7434 12.7434 12.9959 12.9959 13.0149 13.0149 13.5380 13.5380 13.9295 13.9295 14.0641 14.0641 14.0805 14.0805 15.9266 15.9266 18.2815 18.2815 k = 0.4038 0.4038 0.4038 ( 1439 PWs) bands (ev): 5.7729 5.7729 8.7590 8.7590 9.5275 9.5275 9.5297 9.5297 10.5821 10.5821 10.5983 10.5983 10.8057 10.8057 11.8321 11.8321 11.8651 11.8651 12.0671 12.0671 12.2926 12.2926 12.7150 12.7150 12.7370 12.7370 12.9855 12.9855 13.0005 13.0005 13.5222 13.5222 13.9252 13.9252 14.0422 14.0422 14.0588 14.0588 15.8567 15.8567 18.2523 18.2523 k = 0.4103 0.4103 0.4103 ( 1442 PWs) bands (ev): 5.7977 5.7977 8.8298 8.8298 9.5475 9.5475 9.5504 9.5504 10.5544 10.5544 10.5709 10.5709 10.7834 10.7834 11.8357 11.8357 11.8684 11.8684 12.0512 12.0512 12.3462 12.3462 12.7120 12.7120 12.7304 12.7304 12.9745 12.9745 12.9858 12.9858 13.5078 13.5078 13.9207 13.9207 14.0233 14.0233 14.0397 14.0397 15.7916 15.7916 18.2257 18.2257 k = 0.4167 0.4167 0.4167 ( 1430 PWs) bands (ev): 5.8191 5.8191 8.9043 8.9043 9.5683 9.5683 9.5718 9.5718 10.5271 10.5271 10.5438 10.5438 10.7585 10.7585 11.8389 11.8389 11.8708 11.8708 12.0372 12.0372 12.3973 12.3973 12.7084 12.7084 12.7237 12.7237 12.9635 12.9635 12.9715 12.9715 13.4956 13.4956 13.9160 13.9160 14.0073 14.0073 14.0231 14.0231 15.7312 15.7312 18.2014 18.2014 k = 0.4231 0.4231 0.4231 ( 1430 PWs) bands (ev): 5.8374 5.8374 8.9817 8.9817 9.5894 9.5894 9.5937 9.5937 10.5000 10.5000 10.5169 10.5169 10.7306 10.7306 11.8415 11.8415 11.8718 11.8718 12.0246 12.0246 12.4444 12.4444 12.7038 12.7038 12.7164 12.7164 12.9526 12.9526 12.9578 12.9578 13.4863 13.4863 13.9110 13.9110 13.9940 13.9940 14.0085 14.0085 15.6754 15.6754 18.1794 18.1794 k = 0.4295 0.4295 0.4295 ( 1430 PWs) bands (ev): 5.8529 5.8529 9.0616 9.0616 9.6108 9.6108 9.6159 9.6159 10.4733 10.4733 10.4905 10.4905 10.6997 10.6997 11.8435 11.8435 11.8717 11.8717 12.0137 12.0137 12.4870 12.4870 12.6984 12.6984 12.7089 12.7089 12.9421 12.9421 12.9451 12.9451 13.4804 13.4804 13.9058 13.9058 13.9830 13.9830 13.9961 13.9961 15.6241 15.6241 18.1595 18.1595 k = 0.4359 0.4359 0.4359 ( 1430 PWs) bands (ev): 5.8660 5.8660 9.1431 9.1431 9.6323 9.6323 9.6382 9.6382 10.4472 10.4472 10.4647 10.4647 10.6658 10.6658 11.8450 11.8450 11.8705 11.8705 12.0045 12.0045 12.5244 12.5244 12.6923 12.6923 12.7010 12.7010 12.9324 12.9324 12.9336 12.9336 13.4784 13.4784 13.9007 13.9007 13.9743 13.9743 13.9855 13.9855 15.5773 15.5773 18.1416 18.1416 k = 0.4423 0.4423 0.4423 ( 1430 PWs) bands (ev): 5.8769 5.8769 9.2254 9.2254 9.6536 9.6536 9.6603 9.6603 10.4219 10.4219 10.4397 10.4397 10.6289 10.6289 11.8462 11.8462 11.8684 11.8684 11.9969 11.9969 12.5560 12.5560 12.6855 12.6855 12.6930 12.6930 12.9235 12.9235 12.9235 12.9235 13.4807 13.4807 13.8958 13.8958 13.9673 13.9673 13.9765 13.9765 15.5349 15.5349 18.1255 18.1255 k = 0.4487 0.4487 0.4487 ( 1430 PWs) bands (ev): 5.8859 5.8859 9.3079 9.3079 9.6745 9.6745 9.6821 9.6821 10.3975 10.3975 10.4157 10.4157 10.5893 10.5893 11.8469 11.8469 11.8657 11.8657 11.9908 11.9908 12.5818 12.5818 12.6782 12.6782 12.6850 12.6850 12.9150 12.9150 12.9157 12.9157 13.4870 13.4870 13.8912 13.8912 13.9617 13.9617 13.9691 13.9691 15.4967 15.4967 18.1111 18.1111 k = 0.4551 0.4551 0.4551 ( 1430 PWs) bands (ev): 5.8932 5.8932 9.3895 9.3895 9.6947 9.6947 9.7032 9.7032 10.3744 10.3744 10.3930 10.3930 10.5472 10.5472 11.8474 11.8474 11.8626 11.8626 11.9859 11.9859 12.6020 12.6020 12.6707 12.6707 12.6772 12.6772 12.9079 12.9079 12.9089 12.9089 13.4969 13.4969 13.8871 13.8871 13.9574 13.9574 13.9630 13.9630 15.4628 15.4628 18.0983 18.0983 k = 0.4615 0.4615 0.4615 ( 1430 PWs) bands (ev): 5.8991 5.8991 9.4693 9.4693 9.7137 9.7137 9.7231 9.7231 10.3529 10.3529 10.3718 10.3718 10.5031 10.5031 11.8477 11.8477 11.8593 11.8593 11.9820 11.9820 12.6169 12.6169 12.6634 12.6634 12.6699 12.6699 12.9021 12.9021 12.9033 12.9033 13.5093 13.5093 13.8835 13.8835 13.9539 13.9539 13.9580 13.9580 15.4332 15.4332 18.0867 18.0867 k = 0.4679 0.4679 0.4679 ( 1430 PWs) bands (ev): 5.9038 5.9038 9.5457 9.5457 9.7311 9.7311 9.7414 9.7414 10.3333 10.3333 10.3524 10.3524 10.4579 10.4579 11.8478 11.8478 11.8561 11.8561 11.9790 11.9790 12.6274 12.6274 12.6566 12.6566 12.6633 12.6633 12.8976 12.8976 12.8986 12.8986 13.5231 13.5231 13.8804 13.8804 13.9512 13.9512 13.9540 13.9540 15.4079 15.4079 18.0761 18.0761 k = 0.4744 0.4744 0.4744 ( 1430 PWs) bands (ev): 5.9074 5.9074 9.6171 9.6171 9.7465 9.7465 9.7575 9.7575 10.3162 10.3162 10.3350 10.3350 10.4132 10.4132 11.8477 11.8477 11.8532 11.8532 11.9767 11.9767 12.6341 12.6341 12.6506 12.6506 12.6579 12.6579 12.8942 12.8942 12.8949 12.8949 13.5369 13.5369 13.8780 13.8780 13.9491 13.9491 13.9509 13.9509 15.3869 15.3869 18.0659 18.0659 k = 0.4808 0.4808 0.4808 ( 1436 PWs) bands (ev): 5.9100 5.9100 9.6804 9.6804 9.7596 9.7596 9.7709 9.7709 10.3020 10.3020 10.3196 10.3196 10.3719 10.3719 11.8476 11.8476 11.8508 11.8508 11.9750 11.9750 12.6375 12.6375 12.6456 12.6456 12.6539 12.6539 12.8916 12.8916 12.8921 12.8921 13.5494 13.5494 13.8760 13.8760 13.9475 13.9475 13.9485 13.9485 15.3704 15.3704 18.0558 18.0558 k = 0.4872 0.4872 0.4872 ( 1448 PWs) bands (ev): 5.9118 5.9118 9.7313 9.7313 9.7704 9.7704 9.7810 9.7810 10.2914 10.2914 10.3046 10.3046 10.3393 10.3393 11.8475 11.8475 11.8488 11.8488 11.9738 11.9738 12.6387 12.6387 12.6417 12.6417 12.6516 12.6516 12.8898 12.8898 12.8900 12.8900 13.5592 13.5592 13.8744 13.8744 13.9460 13.9460 13.9468 13.9468 15.3585 15.3585 18.0458 18.0458 k = 0.4936 0.4936 0.4936 ( 1466 PWs) bands (ev): 5.9128 5.9128 9.7610 9.7610 9.7817 9.7817 9.7872 9.7872 10.2848 10.2848 10.2895 10.2895 10.3218 10.3218 11.8472 11.8472 11.8476 11.8476 11.9730 11.9730 12.6385 12.6385 12.6391 12.6391 12.6505 12.6505 12.8886 12.8886 12.8886 12.8886 13.5655 13.5655 13.8733 13.8733 13.9452 13.9452 13.9454 13.9454 15.3512 15.3512 18.0377 18.0377 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): 5.9131 5.9131 9.7680 9.7680 9.7894 9.7894 9.7894 9.7894 10.2825 10.2825 10.2825 10.2825 10.3170 10.3170 11.8472 11.8472 11.8472 11.8472 11.9727 11.9727 12.6383 12.6383 12.6383 12.6383 12.6504 12.6504 12.8881 12.8881 12.8881 12.8881 13.5677 13.5677 13.8729 13.8729 13.9449 13.9449 13.9449 13.9449 15.3488 15.3488 18.0346 18.0346 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): 5.9131 5.9131 9.7680 9.7680 9.7894 9.7894 9.7894 9.7894 10.2825 10.2825 10.2825 10.2825 10.3170 10.3170 11.8472 11.8472 11.8472 11.8472 11.9727 11.9727 12.6383 12.6383 12.6383 12.6383 12.6504 12.6504 12.8881 12.8881 12.8881 12.8881 13.5677 13.5677 13.8729 13.8729 13.9449 13.9449 13.9449 13.9449 15.3488 15.3488 18.0346 18.0346 k = 0.4922 0.5000 0.4922 ( 1472 PWs) bands (ev): 5.9128 5.9128 9.7614 9.7614 9.7805 9.7805 9.7881 9.7881 10.2844 10.2844 10.2898 10.2898 10.3217 10.3217 11.8472 11.8472 11.8476 11.8476 11.9730 11.9730 12.6382 12.6382 12.6392 12.6392 12.6506 12.6506 12.8883 12.8883 12.8886 12.8886 13.5656 13.5656 13.8732 13.8732 13.9450 13.9450 13.9454 13.9454 15.3512 15.3512 18.0377 18.0377 k = 0.4844 0.5000 0.4844 ( 1448 PWs) bands (ev): 5.9118 5.9118 9.7382 9.7382 9.7557 9.7557 9.7894 9.7894 10.2870 10.2870 10.3103 10.3103 10.3374 10.3374 11.8474 11.8474 11.8489 11.8489 11.9738 11.9738 12.6379 12.6379 12.6419 12.6419 12.6522 12.6522 12.8894 12.8894 12.8902 12.8902 13.5593 13.5593 13.8744 13.8744 13.9456 13.9456 13.9473 13.9473 15.3584 15.3584 18.0460 18.0460 k = 0.4766 0.5000 0.4766 ( 1444 PWs) bands (ev): 5.9101 5.9101 9.6997 9.6997 9.7180 9.7180 9.7948 9.7948 10.2875 10.2875 10.3405 10.3405 10.3639 10.3639 11.8476 11.8476 11.8507 11.8507 11.9749 11.9749 12.6354 12.6354 12.6451 12.6451 12.6563 12.6563 12.8908 12.8908 12.8925 12.8925 13.5493 13.5493 13.8757 13.8757 13.9460 13.9460 13.9496 13.9496 15.3702 15.3702 18.0566 18.0566 k = 0.4688 0.5000 0.4687 ( 1436 PWs) bands (ev): 5.9075 5.9075 9.6505 9.6505 9.6716 9.6716 9.8033 9.8033 10.2861 10.2861 10.3767 10.3767 10.3975 10.3975 11.8477 11.8477 11.8532 11.8532 11.9766 11.9766 12.6302 12.6302 12.6488 12.6488 12.6637 12.6637 12.8929 12.8929 12.8957 12.8957 13.5364 13.5364 13.8775 13.8775 13.9469 13.9469 13.9532 13.9532 15.3866 15.3866 18.0671 18.0671 k = 0.4609 0.5000 0.4609 ( 1428 PWs) bands (ev): 5.9041 5.9041 9.5937 9.5937 9.6194 9.6194 9.8145 9.8145 10.2834 10.2834 10.4163 10.4163 10.4350 10.4350 11.8478 11.8478 11.8563 11.8563 11.9788 11.9788 12.6218 12.6218 12.6532 12.6532 12.6735 12.6735 12.8960 12.8960 12.8997 12.8997 13.5215 13.5215 13.8797 13.8797 13.9482 13.9482 13.9579 13.9579 15.4074 15.4074 18.0765 18.0765 k = 0.4531 0.5000 0.4531 ( 1428 PWs) bands (ev): 5.8997 5.8997 9.5311 9.5311 9.5636 9.5636 9.8281 9.8281 10.2798 10.2798 10.4570 10.4570 10.4744 10.4744 11.8477 11.8477 11.8597 11.8597 11.9817 11.9817 12.6099 12.6099 12.6582 12.6582 12.6846 12.6846 12.9000 12.9000 12.9044 12.9044 13.5058 13.5058 13.8819 13.8819 13.9501 13.9501 13.9638 13.9638 15.4325 15.4325 18.0845 18.0845 k = 0.4453 0.5000 0.4453 ( 1428 PWs) bands (ev): 5.8943 5.8943 9.4644 9.4644 9.5059 9.5059 9.8443 9.8443 10.2755 10.2755 10.4974 10.4974 10.5145 10.5145 11.8475 11.8475 11.8633 11.8633 11.9853 11.9853 12.5939 12.5939 12.6641 12.6641 12.6964 12.6964 12.9053 12.9053 12.9099 12.9099 13.4902 13.4902 13.8843 13.8843 13.9530 13.9530 13.9714 13.9714 15.4615 15.4615 18.0912 18.0912 k = 0.4375 0.5000 0.4375 ( 1428 PWs) bands (ev): 5.8877 5.8877 9.3944 9.3944 9.4475 9.4475 9.8629 9.8629 10.2707 10.2707 10.5364 10.5364 10.5550 10.5550 11.8470 11.8470 11.8670 11.8670 11.9898 11.9898 12.5733 12.5733 12.6708 12.6708 12.7082 12.7082 12.9121 12.9121 12.9163 12.9163 13.4756 13.4756 13.8866 13.8866 13.9574 13.9574 13.9807 13.9807 15.4942 15.4942 18.0971 18.0971 k = 0.4297 0.5000 0.4297 ( 1424 PWs) bands (ev): 5.8798 5.8798 9.3219 9.3219 9.3893 9.3893 9.8839 9.8839 10.2653 10.2653 10.5731 10.5731 10.5953 10.5953 11.8464 11.8464 11.8705 11.8705 11.9954 11.9954 12.5478 12.5478 12.6783 12.6783 12.7193 12.7193 12.9201 12.9201 12.9243 12.9243 13.4626 13.4626 13.8888 13.8888 13.9642 13.9642 13.9921 13.9921 15.5302 15.5302 18.1026 18.1026 k = 0.4219 0.5000 0.4219 ( 1424 PWs) bands (ev): 5.8705 5.8705 9.2474 9.2474 9.3322 9.3322 9.9073 9.9073 10.2594 10.2594 10.6072 10.6072 10.6352 10.6352 11.8454 11.8454 11.8736 11.8736 12.0022 12.0022 12.5169 12.5169 12.6865 12.6865 12.7291 12.7291 12.9282 12.9282 12.9346 12.9346 13.4516 13.4516 13.8904 13.8904 13.9739 13.9739 14.0055 14.0055 15.5691 15.5691 18.1079 18.1079 k = 0.4141 0.5000 0.4141 ( 1424 PWs) bands (ev): 5.8595 5.8595 9.1712 9.1712 9.2768 9.2768 9.9328 9.9328 10.2533 10.2533 10.6387 10.6387 10.6745 10.6745 11.8440 11.8440 11.8760 11.8760 12.0105 12.0105 12.4808 12.4808 12.6955 12.6955 12.7373 12.7373 12.9359 12.9359 12.9479 12.9479 13.4425 13.4425 13.8915 13.8915 13.9876 13.9876 14.0214 14.0214 15.6105 15.6105 18.1132 18.1132 k = 0.4062 0.5000 0.4062 ( 1428 PWs) bands (ev): 5.8468 5.8468 9.0937 9.0937 9.2236 9.2236 9.9605 9.9605 10.2469 10.2469 10.6673 10.6673 10.7130 10.7130 11.8422 11.8422 11.8775 11.8775 12.0202 12.0202 12.4398 12.4398 12.7051 12.7051 12.7437 12.7437 12.9436 12.9436 12.9633 12.9633 13.4347 13.4347 13.8919 13.8919 14.0061 14.0061 14.0397 14.0397 15.6539 15.6539 18.1186 18.1186 k = 0.3984 0.5000 0.3984 ( 1428 PWs) bands (ev): 5.8323 5.8323 9.0152 9.0152 9.1731 9.1731 9.9904 9.9904 10.2403 10.2403 10.6931 10.6931 10.7507 10.7507 11.8400 11.8400 11.8780 11.8780 12.0317 12.0317 12.3944 12.3944 12.7153 12.7153 12.7482 12.7482 12.9513 12.9513 12.9806 12.9806 13.4278 13.4278 13.8917 13.8917 14.0302 14.0302 14.0606 14.0606 15.6987 15.6987 18.1243 18.1243 k = 0.3906 0.5000 0.3906 ( 1432 PWs) bands (ev): 5.8157 5.8157 8.9359 8.9359 9.1259 9.1259 10.0225 10.0225 10.2336 10.2336 10.7161 10.7161 10.7875 10.7875 11.8373 11.8373 11.8774 11.8774 12.0448 12.0448 12.3453 12.3453 12.7259 12.7259 12.7512 12.7512 12.9590 12.9590 12.9993 12.9993 13.4208 13.4208 13.8908 13.8908 14.0603 14.0603 14.0843 14.0843 15.7445 15.7445 18.1303 18.1303 k = 0.3828 0.5000 0.3828 ( 1432 PWs) bands (ev): 5.7969 5.7969 8.8559 8.8559 9.0824 9.0824 10.0565 10.0565 10.2269 10.2269 10.7363 10.7363 10.8236 10.8236 11.8340 11.8340 11.8757 11.8757 12.0595 12.0595 12.2933 12.2933 12.7367 12.7367 12.7533 12.7533 12.9664 12.9664 13.0190 13.0190 13.4130 13.4130 13.8893 13.8893 14.0970 14.0970 14.1110 14.1110 15.7906 15.7906 18.1368 18.1368 k = 0.3750 0.5000 0.3750 ( 1434 PWs) bands (ev): 5.7759 5.7759 8.7755 8.7755 9.0429 9.0429 10.0924 10.0924 10.2203 10.2203 10.7538 10.7538 10.8591 10.8591 11.8302 11.8302 11.8727 11.8727 12.0755 12.0755 12.2393 12.2393 12.7453 12.7453 12.7568 12.7568 12.9734 12.9734 13.0392 13.0392 13.4040 13.4040 13.8874 13.8874 14.1394 14.1394 14.1415 14.1415 15.8367 15.8367 18.1436 18.1436 k = 0.3672 0.5000 0.3672 ( 1430 PWs) bands (ev): 5.7525 5.7525 8.6947 8.6947 9.0076 9.0076 10.1302 10.1302 10.2138 10.2138 10.7685 10.7685 10.8938 10.8938 11.8258 11.8258 11.8687 11.8687 12.0921 12.0921 12.1851 12.1851 12.7475 12.7475 12.7664 12.7664 12.9800 12.9800 13.0596 13.0596 13.3933 13.3933 13.8851 13.8851 14.1729 14.1729 14.1910 14.1910 15.8823 15.8823 18.1510 18.1510 k = 0.3594 0.5000 0.3594 ( 1430 PWs) bands (ev): 5.7266 5.7266 8.6138 8.6138 8.9769 8.9769 10.1692 10.1692 10.2079 10.2079 10.7806 10.7806 10.9281 10.9281 11.8207 11.8207 11.8632 11.8632 12.1006 12.1006 12.1399 12.1399 12.7461 12.7461 12.7790 12.7790 12.9860 12.9860 13.0798 13.0798 13.3806 13.3806 13.8825 13.8825 14.2088 14.2088 14.2479 14.2479 15.9269 15.9269 18.1590 18.1590 k = 0.3516 0.5000 0.3516 ( 1430 PWs) bands (ev): 5.6983 5.6983 8.5328 8.5328 8.9510 8.9510 10.1980 10.1980 10.2142 10.2142 10.7901 10.7901 10.9620 10.9620 11.8148 11.8148 11.8562 11.8562 12.0627 12.0627 12.1428 12.1428 12.7433 12.7433 12.7928 12.7928 12.9913 12.9913 13.0997 13.0997 13.3658 13.3658 13.8796 13.8796 14.2478 14.2478 14.3111 14.3111 15.9702 15.9702 18.1674 18.1675 k = 0.3438 0.5000 0.3437 ( 1426 PWs) bands (ev): 5.6676 5.6676 8.4520 8.4520 8.9300 8.9300 10.1942 10.1942 10.2549 10.2549 10.7972 10.7972 10.9956 10.9956 11.8081 11.8081 11.8470 11.8470 12.0104 12.0104 12.1633 12.1633 12.7396 12.7396 12.8072 12.8072 12.9959 12.9959 13.1190 13.1190 13.3491 13.3491 13.8765 13.8765 14.2901 14.2901 14.3802 14.3802 16.0119 16.0119 18.1766 18.1766 k = 0.3359 0.5000 0.3359 ( 1430 PWs) bands (ev): 5.6344 5.6344 8.3713 8.3713 8.9138 8.9138 10.1888 10.1888 10.2988 10.2988 10.8016 10.8016 11.0288 11.0288 11.8003 11.8003 11.8337 11.8337 11.9602 11.9602 12.1868 12.1868 12.7352 12.7352 12.8222 12.8222 12.9995 12.9995 13.1374 13.1374 13.3304 13.3304 13.8732 13.8732 14.3357 14.3357 14.4549 14.4549 16.0519 16.0519 18.1863 18.1863 k = 0.3281 0.5000 0.3281 ( 1430 PWs) bands (ev): 5.5988 5.5988 8.2909 8.2909 8.9028 8.9028 10.1837 10.1837 10.3443 10.3443 10.8038 10.8038 11.0618 11.0618 11.7918 11.7918 11.8133 11.8133 11.9175 11.9175 12.2120 12.2120 12.7302 12.7302 12.8376 12.8376 13.0024 13.0024 13.1550 13.1550 13.3101 13.3101 13.8697 13.8697 14.3845 14.3845 14.5348 14.5348 16.0900 16.0900 18.1968 18.1968 k = 0.3203 0.5000 0.3203 ( 1430 PWs) bands (ev): 5.5609 5.5609 8.2110 8.2110 8.8967 8.8967 10.1789 10.1789 10.3910 10.3910 10.8037 10.8037 11.0947 11.0947 11.7807 11.7807 11.7831 11.7831 11.8870 11.8870 12.2387 12.2387 12.7247 12.7247 12.8535 12.8535 13.0043 13.0043 13.1716 13.1716 13.2883 13.2883 13.8661 13.8661 14.4365 14.4365 14.6194 14.6194 16.1263 16.1263 18.2080 18.2080 k = 0.3125 0.5000 0.3125 ( 1430 PWs) bands (ev): 5.5209 5.5209 8.1315 8.1315 8.8956 8.8956 10.1746 10.1746 10.4388 10.4388 10.8014 10.8014 11.1275 11.1275 11.7394 11.7394 11.7720 11.7720 11.8679 11.8679 12.2667 12.2667 12.7187 12.7187 12.8696 12.8696 13.0053 13.0053 13.1869 13.1869 13.2653 13.2653 13.8625 13.8625 14.4917 14.4917 14.7084 14.7084 16.1607 16.1607 18.2199 18.2199 k = 0.3047 0.5000 0.3047 ( 1442 PWs) bands (ev): 5.4790 5.4790 8.0527 8.0527 8.8994 8.8994 10.1707 10.1707 10.4874 10.4874 10.7969 10.7969 11.1600 11.1600 11.6927 11.6927 11.7604 11.7604 11.8550 11.8550 12.2958 12.2958 12.7122 12.7122 12.8856 12.8856 13.0051 13.0051 13.2004 13.2004 13.2419 13.2419 13.8587 13.8587 14.5499 14.5499 14.8015 14.8015 16.1933 16.1933 18.2326 18.2326 k = 0.2969 0.5000 0.2969 ( 1446 PWs) bands (ev): 5.4352 5.4352 7.9746 7.9746 8.9078 8.9078 10.1673 10.1673 10.5369 10.5369 10.7904 10.7904 11.1926 11.1926 11.6450 11.6450 11.7481 11.7481 11.8455 11.8455 12.3258 12.3258 12.7055 12.7055 12.9020 12.9020 13.0045 13.0045 13.2053 13.2053 13.2249 13.2249 13.8550 13.8550 14.6112 14.6112 14.8985 14.8985 16.2243 16.2243 18.2463 18.2463 k = 0.2891 0.5000 0.2891 ( 1442 PWs) bands (ev): 5.3899 5.3899 7.8973 7.8973 8.9208 8.9208 10.1645 10.1645 10.5870 10.5870 10.7819 10.7819 11.2252 11.2252 11.5979 11.5979 11.7350 11.7350 11.8378 11.8378 12.3571 12.3571 12.6985 12.6985 12.9183 12.9183 13.0032 13.0032 13.1857 13.1857 13.2309 13.2309 13.8513 13.8513 14.6755 14.6755 14.9989 14.9989 16.2538 16.2538 18.2608 18.2608 k = 0.2812 0.5000 0.2812 ( 1442 PWs) bands (ev): 5.3432 5.3432 7.8209 7.8209 8.9381 8.9381 10.1622 10.1622 10.6374 10.6374 10.7715 10.7715 11.2578 11.2578 11.5524 11.5524 11.7211 11.7211 11.8311 11.8311 12.3891 12.3891 12.6912 12.6912 12.9335 12.9335 13.0016 13.0016 13.1603 13.1603 13.2412 13.2412 13.8478 13.8478 14.7426 14.7426 15.1026 15.1026 16.2821 16.2821 18.2763 18.2763 k = 0.2734 0.5000 0.2734 ( 1440 PWs) bands (ev): 5.2954 5.2954 7.7456 7.7456 8.9596 8.9596 10.1605 10.1605 10.6872 10.6872 10.7603 10.7603 11.2904 11.2904 11.5092 11.5092 11.7065 11.7065 11.8250 11.8250 12.4219 12.4219 12.6836 12.6836 12.9467 12.9467 13.0004 13.0004 13.1348 13.1348 13.2508 13.2508 13.8444 13.8444 14.8125 14.8125 15.2094 15.2094 16.3093 16.3093 18.2927 18.2927 k = 0.2656 0.5000 0.2656 ( 1440 PWs) bands (ev): 5.2466 5.2466 7.6713 7.6713 8.9850 8.9850 10.1593 10.1593 10.7273 10.7273 10.7572 10.7572 11.3225 11.3225 11.4683 11.4683 11.6913 11.6913 11.8194 11.8194 12.4552 12.4552 12.6760 12.6760 12.9554 12.9554 13.0009 13.0009 13.1107 13.1107 13.2595 13.2595 13.8413 13.8413 14.8851 14.8851 15.3190 15.3190 16.3358 16.3358 18.3102 18.3102 k = 0.2578 0.5000 0.2578 ( 1440 PWs) bands (ev): 5.1971 5.1971 7.5982 7.5982 9.0141 9.0141 10.1588 10.1588 10.7227 10.7227 10.7970 10.7970 11.3536 11.3536 11.4310 11.4310 11.6756 11.6756 11.8144 11.8144 12.4889 12.4889 12.6683 12.6683 12.9567 12.9567 13.0038 13.0038 13.0906 13.0906 13.2671 13.2671 13.8384 13.8384 14.9602 14.9602 15.4313 15.4313 16.3616 16.3616 18.3288 18.3288 k = 0.2500 0.5000 0.2500 ( 1456 PWs) bands (ev): 5.1470 5.1470 7.5264 7.5264 9.0465 9.0465 10.1587 10.1587 10.7059 10.7059 10.8471 10.8471 11.3744 11.3744 11.4060 11.4060 11.6593 11.6593 11.8096 11.8096 12.5222 12.5222 12.6604 12.6604 12.9502 12.9502 13.0049 13.0049 13.0791 13.0791 13.2733 13.2733 13.8355 13.8355 15.0376 15.0376 15.5461 15.5461 16.3871 16.3871 18.3485 18.3485 k = 0.2422 0.5000 0.2422 ( 1448 PWs) bands (ev): 5.0967 5.0967 7.4559 7.4559 9.0822 9.0822 10.1594 10.1594 10.6869 10.6869 10.8982 10.8982 11.3535 11.3535 11.4251 11.4251 11.6434 11.6434 11.8054 11.8054 12.5553 12.5553 12.6536 12.6536 12.9370 12.9370 12.9997 12.9997 13.0803 13.0803 13.2785 13.2785 13.8334 13.8334 15.1176 15.1176 15.6634 15.6634 16.4126 16.4126 18.3694 18.3694 k = 0.2344 0.5000 0.2344 ( 1448 PWs) bands (ev): 5.0464 5.0464 7.3869 7.3869 9.1207 9.1207 10.1606 10.1606 10.6661 10.6661 10.9492 10.9492 11.3239 11.3239 11.4548 11.4548 11.6277 11.6277 11.8015 11.8015 12.5857 12.5857 12.6490 12.6490 12.9177 12.9177 12.9902 12.9902 13.0913 13.0913 13.2825 13.2825 13.8318 13.8318 15.1997 15.1997 15.7828 15.7828 16.4382 16.4382 18.3915 18.3915 k = 0.2266 0.5000 0.2266 ( 1448 PWs) bands (ev): 4.9961 4.9961 7.3194 7.3194 9.1619 9.1619 10.1624 10.1624 10.6440 10.6440 10.9999 10.9999 11.2956 11.2956 11.4840 11.4840 11.6132 11.6132 11.7981 11.7981 12.6069 12.6069 12.6530 12.6530 12.8936 12.8936 12.9802 12.9802 13.1074 13.1074 13.2852 13.2852 13.8308 13.8308 15.2840 15.2840 15.9044 15.9044 16.4643 16.4643 18.4149 18.4149 k = 0.2188 0.5000 0.2187 ( 1448 PWs) bands (ev): 4.9462 4.9462 7.2534 7.2534 9.2055 9.2055 10.1648 10.1648 10.6208 10.6208 11.0501 11.0501 11.2693 11.2693 11.5094 11.5094 11.6023 11.6023 11.7951 11.7951 12.6109 12.6109 12.6736 12.6736 12.8663 12.8663 12.9706 12.9706 13.1261 13.1261 13.2867 13.2867 13.8306 13.8306 15.3702 15.3702 16.0278 16.0278 16.4909 16.4909 18.4396 18.4396 k = 0.2109 0.5000 0.2109 ( 1442 PWs) bands (ev): 4.8967 4.8967 7.1891 7.1891 9.2513 9.2513 10.1678 10.1678 10.5969 10.5969 11.0996 11.0996 11.2452 11.2452 11.5249 11.5249 11.6015 11.6015 11.7926 11.7926 12.6060 12.6060 12.7021 12.7021 12.8371 12.8371 12.9616 12.9616 13.1464 13.1464 13.2872 13.2872 13.8312 13.8312 15.4585 15.4585 16.1531 16.1531 16.5185 16.5185 18.4656 18.4656 k = 0.2031 0.5000 0.2031 ( 1442 PWs) bands (ev): 4.8479 4.8479 7.1266 7.1266 9.2989 9.2989 10.1713 10.1713 10.5724 10.5724 11.1483 11.1483 11.2230 11.2230 11.5244 11.5244 11.6162 11.6162 11.7905 11.7905 12.5985 12.5985 12.7318 12.7318 12.8069 12.8069 12.9528 12.9528 13.1672 13.1672 13.2866 13.2866 13.8328 13.8328 15.5485 15.5485 16.2799 16.2799 16.5473 16.5473 18.4930 18.4930 k = 0.1953 0.5000 0.1953 ( 1446 PWs) bands (ev): 4.7999 4.7999 7.0658 7.0658 9.3480 9.3480 10.1752 10.1752 10.5475 10.5475 11.1937 11.1937 11.2050 11.2050 11.5134 11.5134 11.6411 11.6411 11.7890 11.7890 12.5902 12.5902 12.7597 12.7597 12.7772 12.7772 12.9442 12.9442 13.1882 13.1882 13.2852 13.2852 13.8354 13.8354 15.6403 15.6403 16.4079 16.4079 16.5779 16.5779 18.5218 18.5218 k = 0.1875 0.5000 0.1875 ( 1446 PWs) bands (ev): 4.7528 4.7528 7.0069 7.0069 9.3986 9.3986 10.1797 10.1797 10.5226 10.5226 11.1831 11.1831 11.2435 11.2435 11.4983 11.4983 11.6698 11.6698 11.7880 11.7880 12.5813 12.5813 12.7444 12.7444 12.7896 12.7896 12.9356 12.9356 13.2084 13.2084 13.2840 13.2840 13.8392 13.8392 15.7336 15.7336 16.5349 16.5349 16.6123 16.6123 18.5519 18.5519 k = 0.1797 0.5000 0.1797 ( 1446 PWs) bands (ev): 4.7068 4.7068 6.9499 6.9499 9.4502 9.4502 10.1847 10.1847 10.4978 10.4978 11.1661 11.1661 11.2886 11.2886 11.4820 11.4820 11.6996 11.6996 11.7877 11.7877 12.5719 12.5719 12.7141 12.7141 12.8154 12.8154 12.9272 12.9272 13.2257 13.2257 13.2849 13.2849 13.8445 13.8445 15.8284 15.8284 16.6291 16.6291 16.6826 16.6826 18.5835 18.5835 k = 0.1719 0.5000 0.1719 ( 1440 PWs) bands (ev): 4.6620 4.6620 6.8949 6.8949 9.5026 9.5026 10.1901 10.1901 10.4735 10.4735 11.1503 11.1503 11.3321 11.3321 11.4657 11.4657 11.7294 11.7294 11.7886 11.7886 12.5622 12.5622 12.6845 12.6845 12.8396 12.8396 12.9188 12.9188 13.2359 13.2359 13.2917 13.2917 13.8512 13.8512 15.9245 15.9245 16.6701 16.6701 16.8093 16.8093 18.6164 18.6164 k = 0.1641 0.5000 0.1641 ( 1434 PWs) bands (ev): 4.6186 4.6186 6.8420 6.8420 9.5557 9.5557 10.1958 10.1958 10.4494 10.4494 11.1363 11.1363 11.3721 11.3721 11.4512 11.4512 11.7577 11.7577 11.7912 11.7912 12.5513 12.5513 12.6566 12.6566 12.8615 12.8615 12.9106 12.9106 13.2369 13.2369 13.3066 13.3066 13.8595 13.8595 16.0219 16.0219 16.7077 16.7077 16.9424 16.9424 18.6507 18.6507 k = 0.1562 0.5000 0.1562 ( 1446 PWs) bands (ev): 4.5765 4.5765 6.7911 6.7911 9.6088 9.6088 10.2018 10.2018 10.4259 10.4259 11.1225 11.1225 11.3996 11.3996 11.4474 11.4474 11.7783 11.7783 11.8010 11.8010 12.5387 12.5387 12.6310 12.6310 12.8808 12.8808 12.9027 12.9027 13.2314 13.2314 13.3260 13.3260 13.8695 13.8695 16.1203 16.1203 16.7465 16.7465 17.0773 17.0773 18.6863 18.6863 k = 0.1484 0.5000 0.1484 ( 1446 PWs) bands (ev): 4.5360 4.5360 6.7424 6.7424 9.6621 9.6621 10.2081 10.2081 10.4031 10.4031 11.1102 11.1102 11.3977 11.3977 11.4720 11.4720 11.7860 11.7860 11.8242 11.8242 12.5232 12.5232 12.6094 12.6094 12.8921 12.8921 12.9008 12.9008 13.2224 13.2224 13.3473 13.3473 13.8813 13.8813 16.2197 16.2197 16.7872 16.7872 17.2134 17.2134 18.7231 18.7231 k = 0.1406 0.5000 0.1406 ( 1446 PWs) bands (ev): 4.4971 4.4971 6.6959 6.6959 9.7150 9.7150 10.2147 10.2147 10.3812 10.3812 11.0990 11.0990 11.3836 11.3836 11.5075 11.5075 11.7898 11.7898 11.8509 11.8509 12.5041 12.5041 12.5928 12.5928 12.8856 12.8856 12.9146 12.9146 13.2110 13.2110 13.3689 13.3689 13.8948 13.8948 16.3198 16.3198 16.8300 16.8300 17.3504 17.3504 18.7611 18.7611 k = 0.1328 0.5000 0.1328 ( 1446 PWs) bands (ev): 4.4599 4.4599 6.6517 6.6517 9.7675 9.7675 10.2214 10.2214 10.3602 10.3602 11.0887 11.0887 11.3674 11.3674 11.5438 11.5438 11.7935 11.7935 11.8774 11.8774 12.4815 12.4815 12.5812 12.5812 12.8781 12.8781 12.9274 12.9274 13.1977 13.1977 13.3901 13.3901 13.9100 13.9100 16.4204 16.4204 16.8751 16.8751 17.4880 17.4880 18.8000 18.8000 k = 0.1250 0.5000 0.1250 ( 1442 PWs) bands (ev): 4.4245 4.4245 6.6098 6.6098 9.8191 9.8191 10.2281 10.2281 10.3406 10.3406 11.0792 11.0792 11.3509 11.3509 11.5792 11.5792 11.7976 11.7976 11.9029 11.9029 12.4565 12.4565 12.5741 12.5741 12.8706 12.8706 12.9384 12.9384 13.1829 13.1829 13.4103 13.4103 13.9268 13.9268 16.5214 16.5214 16.9225 16.9225 17.6260 17.6260 18.8398 18.8398 k = 0.1172 0.5000 0.1172 ( 1442 PWs) bands (ev): 4.3909 4.3909 6.5701 6.5701 9.8696 9.8696 10.2346 10.2346 10.3221 10.3221 11.0704 11.0704 11.3344 11.3344 11.6130 11.6130 11.8023 11.8023 11.9270 11.9270 12.4301 12.4301 12.5705 12.5705 12.8635 12.8635 12.9475 12.9475 13.1666 13.1666 13.4293 13.4293 13.9449 13.9449 16.6225 16.6225 16.9722 16.9722 17.7641 17.7641 18.8802 18.8802 k = 0.1094 0.5000 0.1094 ( 1434 PWs) bands (ev): 4.3592 4.3592 6.5329 6.5329 9.9187 9.9187 10.2404 10.2404 10.3055 10.3055 11.0626 11.0626 11.3184 11.3184 11.6452 11.6452 11.8077 11.8077 11.9495 11.9495 12.4034 12.4034 12.5701 12.5701 12.8566 12.8566 12.9548 12.9548 13.1492 13.1492 13.4473 13.4473 13.9641 13.9641 16.7233 16.7233 17.0243 17.0243 17.9020 17.9020 18.9210 18.9210 k = 0.1016 0.5000 0.1016 ( 1434 PWs) bands (ev): 4.3295 4.3295 6.4981 6.4981 9.9660 9.9660 10.2447 10.2447 10.2916 10.2916 11.0553 11.0553 11.3028 11.3028 11.6754 11.6754 11.8138 11.8138 11.9700 11.9700 12.3765 12.3765 12.5723 12.5723 12.8501 12.8501 12.9605 12.9605 13.1304 13.1304 13.4636 13.4636 13.9840 13.9840 16.8235 16.8235 17.0786 17.0786 18.0393 18.0393 18.9619 18.9619 k = 0.0938 0.5000 0.0937 ( 1434 PWs) bands (ev): 4.3017 4.3017 6.4657 6.4657 10.0113 10.0113 10.2453 10.2453 10.2824 10.2824 11.0487 11.0487 11.2879 11.2879 11.7035 11.7035 11.8207 11.8207 11.9885 11.9885 12.3499 12.3499 12.5772 12.5772 12.8438 12.8438 12.9649 12.9649 13.1103 13.1103 13.4784 13.4784 14.0043 14.0043 16.9227 16.9227 17.1350 17.1350 18.1756 18.1756 19.0026 19.0026 k = 0.0859 0.5000 0.0859 ( 1442 PWs) bands (ev): 4.2761 4.2761 6.4358 6.4358 10.0542 10.0542 10.2401 10.2401 10.2801 10.2801 11.0427 11.0427 11.2735 11.2735 11.7293 11.7293 11.8283 11.8283 12.0048 12.0048 12.3239 12.3239 12.5847 12.5847 12.8380 12.8380 12.9678 12.9678 13.0892 13.0892 13.4918 13.4918 14.0243 14.0243 17.0204 17.0204 17.1932 17.1932 18.3103 18.3103 19.0427 19.0427 k = 0.0781 0.5000 0.0781 ( 1438 PWs) bands (ev): 4.2525 4.2525 6.4084 6.4084 10.0943 10.0943 10.2313 10.2313 10.2828 10.2828 11.0373 11.0373 11.2603 11.2603 11.7527 11.7527 11.8368 11.8368 12.0192 12.0192 12.2988 12.2988 12.5949 12.5949 12.8326 12.8326 12.9699 12.9699 13.0671 13.0671 13.5041 13.5041 14.0443 14.0443 17.1160 17.1160 17.2530 17.2530 18.4427 18.4427 19.0819 19.0819 k = 0.0703 0.5000 0.0703 ( 1438 PWs) bands (ev): 4.2311 4.2311 6.3835 6.3835 10.1312 10.1312 10.2218 10.2218 10.2876 10.2876 11.0325 11.0325 11.2479 11.2479 11.7735 11.7735 11.8462 11.8462 12.0316 12.0316 12.2746 12.2746 12.6075 12.6075 12.8276 12.8276 12.9712 12.9712 13.0441 13.0441 13.5148 13.5148 14.0636 14.0636 17.2086 17.2086 17.3138 17.3138 18.5718 18.5718 19.1198 19.1198 k = 0.0625 0.5000 0.0625 ( 1436 PWs) bands (ev): 4.2118 4.2118 6.3612 6.3612 10.1635 10.1635 10.2139 10.2139 10.2931 10.2931 11.0284 11.0284 11.2364 11.2364 11.7916 11.7916 11.8562 11.8562 12.0422 12.0422 12.2515 12.2515 12.6225 12.6225 12.8231 12.8231 12.9717 12.9717 13.0204 13.0204 13.5241 13.5241 14.0818 14.0818 17.2976 17.2976 17.3751 17.3751 18.6966 18.6966 19.1559 19.1559 k = 0.0547 0.5000 0.0547 ( 1432 PWs) bands (ev): 4.1947 4.1947 6.3415 6.3415 10.1854 10.1854 10.2139 10.2139 10.2988 10.2988 11.0247 11.0247 11.2261 11.2261 11.8073 11.8073 11.8667 11.8667 12.0511 12.0511 12.2297 12.2297 12.6396 12.6396 12.8191 12.8191 12.9716 12.9716 12.9960 12.9960 13.5323 13.5323 14.0986 14.0986 17.3816 17.3816 17.4359 17.4359 18.8155 18.8155 19.1898 19.1898 k = 0.0469 0.5000 0.0469 ( 1438 PWs) bands (ev): 4.1799 4.1799 6.3243 6.3243 10.1870 10.1870 10.2310 10.2310 10.3045 10.3045 11.0215 11.0215 11.2169 11.2169 11.8204 11.8204 11.8770 11.8770 12.0586 12.0586 12.2093 12.2093 12.6586 12.6586 12.8154 12.8154 12.9685 12.9685 12.9736 12.9736 13.5390 13.5390 14.1138 14.1138 17.4596 17.4596 17.4951 17.4951 18.9264 18.9264 19.2212 19.2212 k = 0.0391 0.5000 0.0391 ( 1438 PWs) bands (ev): 4.1673 4.1673 6.3098 6.3098 10.1823 10.1823 10.2513 10.2513 10.3102 10.3102 11.0188 11.0188 11.2090 11.2090 11.8314 11.8314 11.8868 11.8868 12.0650 12.0650 12.1908 12.1908 12.6792 12.6792 12.8124 12.8124 12.9449 12.9449 12.9713 12.9713 13.5449 13.5449 14.1270 14.1270 17.5300 17.5300 17.5512 17.5512 19.0268 19.0268 19.2501 19.2501 k = 0.0312 0.5000 0.0312 ( 1434 PWs) bands (ev): 4.1570 4.1570 6.2979 6.2979 10.1775 10.1775 10.2684 10.2684 10.3161 10.3161 11.0166 11.0166 11.2025 11.2025 11.8405 11.8405 11.8956 11.8956 12.0705 12.0705 12.1742 12.1742 12.7010 12.7010 12.8100 12.8100 12.9195 12.9195 12.9706 12.9706 13.5496 13.5496 14.1381 14.1381 17.5910 17.5910 17.6024 17.6024 19.1133 19.1133 19.2768 19.2768 k = 0.0234 0.5000 0.0234 ( 1422 PWs) bands (ev): 4.1490 4.1490 6.2887 6.2887 10.1740 10.1740 10.2811 10.2811 10.3222 10.3222 11.0149 11.0149 11.1976 11.1976 11.8477 11.8477 11.9029 11.9029 12.0755 12.0755 12.1600 12.1600 12.7234 12.7234 12.8081 12.8081 12.8944 12.8944 12.9701 12.9701 13.5532 13.5532 14.1470 14.1470 17.6409 17.6409 17.6464 17.6464 19.1814 19.1814 19.3022 19.3022 k = 0.0156 0.5000 0.0156 ( 1422 PWs) bands (ev): 4.1432 4.1432 6.2820 6.2820 10.1709 10.1709 10.2892 10.2892 10.3273 10.3273 11.0137 11.0137 11.1939 11.1939 11.8529 11.8529 11.9083 11.9083 12.0797 12.0797 12.1488 12.1488 12.7455 12.7455 12.8069 12.8069 12.8704 12.8704 12.9696 12.9696 13.5558 13.5558 14.1534 14.1534 17.6772 17.6772 17.6813 17.6813 19.2272 19.2272 19.3102 19.3102 k = 0.0078 0.5000 0.0078 ( 1422 PWs) bands (ev): 4.1398 4.1398 6.2780 6.2780 10.1691 10.1691 10.2936 10.2936 10.3309 10.3309 11.0130 11.0130 11.1917 11.1917 11.8561 11.8561 11.9116 11.9116 12.0827 12.0827 12.1413 12.1413 12.7646 12.7646 12.8064 12.8064 12.8498 12.8498 12.9692 12.9692 13.5574 13.5574 14.1573 14.1573 17.6992 17.6992 17.7039 17.7039 19.2515 19.2515 19.2754 19.2754 k = 0.0000 0.5000-0.0000 ( 1422 PWs) bands (ev): 4.1386 4.1386 6.2767 6.2767 10.1685 10.1685 10.2950 10.2950 10.3322 10.3322 11.0127 11.0127 11.1909 11.1909 11.8572 11.8572 11.9127 11.9127 12.0839 12.0839 12.1386 12.1386 12.7735 12.7735 12.8065 12.8065 12.8401 12.8401 12.9691 12.9691 13.5579 13.5579 14.1586 14.1586 17.7067 17.7067 17.7117 17.7117 19.2589 19.2589 19.2635 19.2635 k = 0.5000 0.5000-0.0000 ( 1452 PWs) bands (ev): 5.6396 5.6396 7.8925 7.8925 7.9135 7.9135 10.0920 10.0920 10.3539 10.3539 11.2538 11.2538 11.3760 11.3760 11.3805 11.3805 11.9406 11.9406 12.0211 12.0211 12.5713 12.5713 12.6404 12.6404 12.6595 12.6595 12.6729 12.6729 13.0254 13.0254 13.1180 13.1180 13.1755 13.1755 14.7577 14.7577 14.7861 14.7861 19.7059 19.7059 20.4071 20.4071 k = 0.5000 0.5000 0.0111 ( 1452 PWs) bands (ev): 5.6399 5.6399 7.8938 7.8938 7.9148 7.9148 10.0922 10.0922 10.3527 10.3527 11.2556 11.2556 11.3754 11.3754 11.3798 11.3798 11.9402 11.9402 12.0207 12.0207 12.5691 12.5691 12.6417 12.6417 12.6599 12.6599 12.6742 12.6742 13.0252 13.0252 13.1174 13.1174 13.1777 13.1777 14.7568 14.7568 14.7852 14.7852 19.6582 19.6582 20.4579 20.4579 k = 0.5000 0.5000 0.0222 ( 1452 PWs) bands (ev): 5.6409 5.6409 7.8977 7.8977 7.9187 7.9187 10.0926 10.0926 10.3492 10.3492 11.2610 11.2610 11.3735 11.3735 11.3777 11.3777 11.9390 11.9390 12.0194 12.0194 12.5630 12.5630 12.6453 12.6453 12.6612 12.6612 12.6780 12.6780 13.0247 13.0247 13.1161 13.1161 13.1842 13.1842 14.7543 14.7543 14.7825 14.7825 19.5422 19.5422 20.5828 20.5828 k = 0.5000 0.5000 0.0333 ( 1440 PWs) bands (ev): 5.6425 5.6425 7.9042 7.9042 7.9252 7.9252 10.0936 10.0936 10.3435 10.3435 11.2701 11.2701 11.3705 11.3705 11.3743 11.3743 11.9372 11.9372 12.0175 12.0175 12.5535 12.5535 12.6508 12.6508 12.6639 12.6639 12.6839 12.6839 13.0241 13.0241 13.1142 13.1142 13.1945 13.1945 14.7501 14.7501 14.7781 14.7781 19.3952 19.3952 20.7446 20.7446 k = 0.5000 0.5000 0.0444 ( 1444 PWs) bands (ev): 5.6447 5.6447 7.9133 7.9133 7.9343 7.9343 10.0946 10.0946 10.3355 10.3355 11.2821 11.2821 11.3661 11.3661 11.3692 11.3692 11.9345 11.9345 12.0147 12.0147 12.5410 12.5410 12.6579 12.6579 12.6677 12.6677 12.6914 12.6914 13.0230 13.0230 13.1122 13.1122 13.2077 13.2077 14.7440 14.7440 14.7717 14.7717 19.2357 19.2357 20.9245 20.9245 k = 0.5000 0.5000 0.0556 ( 1428 PWs) bands (ev): 5.6475 5.6475 7.9250 7.9250 7.9460 7.9460 10.0962 10.0962 10.3257 10.3257 11.2973 11.2973 11.3610 11.3610 11.3630 11.3630 11.9315 11.9315 12.0116 12.0116 12.5263 12.5263 12.6664 12.6664 12.6734 12.6734 12.7006 12.7006 13.0219 13.0219 13.1102 13.1102 13.2239 13.2239 14.7364 14.7364 14.7637 14.7637 19.0716 19.0716 21.1136 21.1136 k = 0.5000 0.5000 0.0667 ( 1432 PWs) bands (ev): 5.6509 5.6509 7.9393 7.9393 7.9602 7.9602 10.0976 10.0976 10.3139 10.3139 11.3139 11.3139 11.3553 11.3553 11.3558 11.3558 11.9276 11.9276 12.0075 12.0075 12.5094 12.5094 12.6759 12.6759 12.6805 12.6805 12.7109 12.7109 13.0202 13.0202 13.1080 13.1080 13.2420 13.2420 14.7269 14.7269 14.7538 14.7538 18.9064 18.9064 21.2721 21.2721 k = 0.5000 0.5000 0.0778 ( 1432 PWs) bands (ev): 5.6549 5.6549 7.9561 7.9561 7.9770 7.9770 10.0996 10.0996 10.3007 10.3007 11.3273 11.3273 11.3462 11.3462 11.3557 11.3557 11.9234 11.9234 12.0031 12.0031 12.4909 12.4909 12.6864 12.6864 12.6892 12.6892 12.7223 12.7223 13.0182 13.0182 13.1058 13.1058 13.2618 13.2618 14.7158 14.7158 14.7420 14.7420 18.7419 18.7419 21.1564 21.1566 k = 0.5000 0.5000 0.0889 ( 1432 PWs) bands (ev): 5.6595 5.6595 7.9754 7.9754 7.9964 7.9964 10.1018 10.1018 10.2860 10.2860 11.3264 11.3264 11.3358 11.3358 11.3713 11.3713 11.9189 11.9189 11.9984 11.9984 12.4710 12.4710 12.6976 12.6976 12.6995 12.6995 12.7346 12.7346 13.0158 13.0158 13.1035 13.1035 13.2832 13.2832 14.7029 14.7029 14.7284 14.7284 18.5790 18.5790 21.0219 21.0219 k = 0.5000 0.5000 0.1000 ( 1424 PWs) bands (ev): 5.6646 5.6646 7.9973 7.9973 8.0182 8.0182 10.1044 10.1044 10.2701 10.2701 11.3176 11.3176 11.3242 11.3242 11.3962 11.3962 11.9144 11.9144 11.9936 11.9936 12.4501 12.4501 12.7098 12.7098 12.7112 12.7112 12.7480 12.7480 13.0133 13.0133 13.1012 13.1012 13.3060 13.3060 14.6882 14.6882 14.7130 14.7130 18.4184 18.4184 20.8829 20.8829 k = 0.5000 0.5000 0.1111 ( 1428 PWs) bands (ev): 5.6702 5.6702 8.0216 8.0216 8.0426 8.0426 10.1071 10.1071 10.2532 10.2532 11.3059 11.3059 11.3112 11.3112 11.4249 11.4249 11.9097 11.9097 11.9886 11.9886 12.4283 12.4283 12.7222 12.7222 12.7241 12.7241 12.7618 12.7618 13.0105 13.0105 13.0985 13.0985 13.3296 13.3296 14.6718 14.6718 14.6957 14.6957 18.2605 18.2605 20.7412 20.7412 k = 0.5000 0.5000 0.1222 ( 1428 PWs) bands (ev): 5.6764 5.6764 8.0485 8.0485 8.0694 8.0694 10.1103 10.1103 10.2354 10.2354 11.2925 11.2925 11.2970 11.2970 11.4564 11.4564 11.9052 11.9052 11.9836 11.9836 12.4059 12.4059 12.7349 12.7349 12.7380 12.7380 12.7763 12.7763 13.0075 13.0075 13.0957 13.0957 13.3540 13.3540 14.6537 14.6537 14.6766 14.6766 18.1055 18.1055 20.5984 20.5984 k = 0.5000 0.5000 0.1333 ( 1428 PWs) bands (ev): 5.6830 5.6830 8.0778 8.0778 8.0987 8.0987 10.1137 10.1137 10.2169 10.2169 11.2777 11.2777 11.2817 11.2817 11.4902 11.4902 11.9008 11.9008 11.9787 11.9787 12.3831 12.3831 12.7477 12.7477 12.7528 12.7528 12.7913 12.7913 13.0042 13.0042 13.0927 13.0927 13.3788 13.3788 14.6340 14.6340 14.6557 14.6557 17.9537 17.9537 20.4557 20.4557 k = 0.5000 0.5000 0.1444 ( 1428 PWs) bands (ev): 5.6900 5.6900 8.1095 8.1095 8.1304 8.1304 10.1174 10.1174 10.1980 10.1980 11.2614 11.2614 11.2649 11.2649 11.5256 11.5256 11.8969 11.8969 11.9741 11.9741 12.3602 12.3602 12.7604 12.7604 12.7681 12.7681 12.8069 12.8069 13.0010 13.0010 13.0895 13.0895 13.4041 13.4041 14.6126 14.6126 14.6331 14.6331 17.8052 17.8052 20.3141 20.3141 k = 0.5000 0.5000 0.1556 ( 1428 PWs) bands (ev): 5.6975 5.6975 8.1436 8.1436 8.1645 8.1645 10.1215 10.1215 10.1786 10.1786 11.2441 11.2441 11.2473 11.2473 11.5631 11.5631 11.8931 11.8931 11.9695 11.9695 12.3371 12.3371 12.7729 12.7729 12.7834 12.7834 12.8234 12.8234 12.9974 12.9974 13.0859 13.0859 13.4296 13.4296 14.5895 14.5895 14.6086 14.6086 17.6602 17.6602 20.1744 20.1744 k = 0.5000 0.5000 0.1667 ( 1428 PWs) bands (ev): 5.7054 5.7054 8.1800 8.1800 8.2009 8.2009 10.1259 10.1259 10.1590 10.1590 11.2256 11.2256 11.2286 11.2286 11.6021 11.6021 11.8899 11.8899 11.9651 11.9651 12.3140 12.3140 12.7851 12.7851 12.7985 12.7985 12.8408 12.8408 12.9936 12.9936 13.0821 13.0821 13.4551 13.4551 14.5649 14.5649 14.5825 14.5825 17.5189 17.5189 20.0374 20.0374 k = 0.5000 0.5000 0.1778 ( 1428 PWs) bands (ev): 5.7136 5.7136 8.2188 8.2188 8.2396 8.2396 10.1306 10.1306 10.1392 10.1392 11.2060 11.2060 11.2089 11.2089 11.6424 11.6424 11.8872 11.8872 11.9608 11.9608 12.2911 12.2911 12.7967 12.7967 12.8128 12.8128 12.8593 12.8593 12.9898 12.9898 13.0779 13.0779 13.4806 13.4806 14.5388 14.5388 14.5548 14.5548 17.3812 17.3812 19.9035 19.9035 k = 0.5000 0.5000 0.1889 ( 1436 PWs) bands (ev): 5.7222 5.7222 8.2597 8.2597 8.2806 8.2806 10.1192 10.1192 10.1357 10.1357 11.1852 11.1852 11.1881 11.1881 11.6834 11.6834 11.8853 11.8853 11.9566 11.9566 12.2685 12.2685 12.8076 12.8076 12.8258 12.8258 12.8787 12.8787 12.9860 12.9860 13.0733 13.0733 13.5059 13.5059 14.5112 14.5112 14.5254 14.5254 17.2474 17.2474 19.7732 19.7732 k = 0.5000 0.5000 0.2000 ( 1436 PWs) bands (ev): 5.7310 5.7310 8.3029 8.3029 8.3237 8.3237 10.0994 10.0994 10.1411 10.1411 11.1635 11.1635 11.1665 11.1665 11.7247 11.7247 11.8848 11.8848 11.9528 11.9528 12.2463 12.2463 12.8176 12.8176 12.8376 12.8376 12.8994 12.8994 12.9824 12.9824 13.0685 13.0685 13.5311 13.5311 14.4825 14.4825 14.4948 14.4948 17.1175 17.1175 19.6469 19.6469 k = 0.5000 0.5000 0.2111 ( 1436 PWs) bands (ev): 5.7400 5.7400 8.3482 8.3482 8.3690 8.3690 10.0797 10.0797 10.1467 10.1467 11.1408 11.1408 11.1439 11.1439 11.7650 11.7650 11.8869 11.8869 11.9491 11.9491 12.2245 12.2245 12.8266 12.8266 12.8478 12.8478 12.9205 12.9205 12.9795 12.9795 13.0632 13.0632 13.5558 13.5558 14.4527 14.4527 14.4629 14.4629 16.9916 16.9916 19.5250 19.5250 k = 0.5000 0.5000 0.2222 ( 1436 PWs) bands (ev): 5.7493 5.7493 8.3956 8.3956 8.4164 8.4164 10.0602 10.0602 10.1527 10.1527 11.1171 11.1171 11.1204 11.1204 11.8013 11.8013 11.8942 11.8942 11.9455 11.9455 12.2032 12.2032 12.8343 12.8343 12.8564 12.8564 12.9402 12.9402 12.9791 12.9791 13.0575 13.0575 13.5802 13.5802 14.4220 14.4220 14.4300 14.4300 16.8699 16.8699 19.4077 19.4077 k = 0.5000 0.5000 0.2333 ( 1436 PWs) bands (ev): 5.7587 5.7587 8.4450 8.4450 8.4658 8.4658 10.0410 10.0410 10.1589 10.1589 11.0925 11.0925 11.0961 11.0961 11.8276 11.8276 11.9124 11.9124 11.9421 11.9421 12.1826 12.1826 12.8407 12.8407 12.8633 12.8633 12.9524 12.9524 12.9871 12.9871 13.0515 13.0515 13.6041 13.6041 14.3905 14.3905 14.3962 14.3962 16.7524 16.7524 19.2952 19.2952 k = 0.5000 0.5000 0.2444 ( 1436 PWs) bands (ev): 5.7682 5.7682 8.4964 8.4964 8.5171 8.5171 10.0222 10.0222 10.1654 10.1654 11.0668 11.0668 11.0708 11.0708 11.8412 11.8412 11.9387 11.9387 11.9443 11.9443 12.1627 12.1627 12.8456 12.8456 12.8685 12.8685 12.9540 12.9540 13.0064 13.0064 13.0451 13.0451 13.6274 13.6274 14.3586 14.3586 14.3618 14.3618 16.6392 16.6392 19.1876 19.1876 k = 0.5000 0.5000 0.2556 ( 1436 PWs) bands (ev): 5.7777 5.7777 8.5496 8.5496 8.5703 8.5703 10.0037 10.0037 10.1721 10.1721 11.0402 11.0402 11.0446 11.0446 11.8468 11.8468 11.9353 11.9353 11.9848 11.9848 12.1436 12.1436 12.8488 12.8488 12.8718 12.8718 12.9514 12.9514 13.0308 13.0308 13.0382 13.0382 13.6501 13.6501 14.3264 14.3264 14.3271 14.3271 16.5304 16.5304 19.0852 19.0852 k = 0.5000 0.5000 0.2667 ( 1436 PWs) bands (ev): 5.7873 5.7873 8.6046 8.6046 8.6253 8.6253 9.9858 9.9858 10.1790 10.1790 11.0126 11.0126 11.0175 11.0175 11.8491 11.8491 11.9319 11.9319 12.0289 12.0289 12.1254 12.1254 12.8502 12.8502 12.8732 12.8732 12.9474 12.9474 13.0310 13.0310 13.0572 13.0572 13.6721 13.6721 14.2923 14.2923 14.2943 14.2943 16.4261 16.4261 18.9880 18.9880 k = 0.5000 0.5000 0.2778 ( 1444 PWs) bands (ev): 5.7967 5.7967 8.6613 8.6613 8.6819 8.6819 9.9681 9.9681 10.1860 10.1860 10.9838 10.9838 10.9893 10.9893 11.8499 11.8499 11.9284 11.9284 12.0745 12.0745 12.1080 12.1080 12.8497 12.8497 12.8726 12.8726 12.9428 12.9428 13.0234 13.0234 13.0847 13.0847 13.6933 13.6933 14.2577 14.2577 14.2624 14.2624 16.3262 16.3262 18.8959 18.8959 k = 0.5000 0.5000 0.2889 ( 1444 PWs) bands (ev): 5.8061 5.8061 8.7195 8.7195 8.7401 8.7401 9.9512 9.9512 10.1933 10.1933 10.9542 10.9542 10.9603 10.9603 11.8502 11.8502 11.9248 11.9248 12.0917 12.0917 12.1206 12.1206 12.8473 12.8473 12.8699 12.8699 12.9381 12.9381 13.0155 13.0155 13.1131 13.1131 13.7138 13.7138 14.2237 14.2237 14.2313 14.2313 16.2310 16.2310 18.8092 18.8092 k = 0.5000 0.5000 0.3000 ( 1436 PWs) bands (ev): 5.8154 5.8154 8.7793 8.7793 8.7997 8.7997 9.9351 9.9351 10.2007 10.2007 10.9235 10.9235 10.9303 10.9303 11.8504 11.8504 11.9212 11.9212 12.0768 12.0768 12.1666 12.1666 12.8429 12.8429 12.8651 12.8651 12.9335 12.9335 13.0072 13.0072 13.1423 13.1423 13.7335 13.7335 14.1906 14.1906 14.2010 14.2010 16.1406 16.1406 18.7276 18.7276 k = 0.5000 0.5000 0.3111 ( 1436 PWs) bands (ev): 5.8246 5.8246 8.8403 8.8403 8.8607 8.8607 9.9194 9.9194 10.2082 10.2082 10.8917 10.8917 10.8992 10.8992 11.8502 11.8502 11.9171 11.9171 12.0627 12.0627 12.2120 12.2120 12.8364 12.8364 12.8581 12.8581 12.9289 12.9289 12.9987 12.9987 13.1720 13.1720 13.7522 13.7522 14.1586 14.1586 14.1719 14.1719 16.0549 16.0549 18.6513 18.6513 k = 0.5000 0.5000 0.3222 ( 1436 PWs) bands (ev): 5.8335 5.8335 8.9026 8.9026 8.9229 8.9229 9.9045 9.9045 10.2157 10.2157 10.8587 10.8587 10.8669 10.8669 11.8500 11.8500 11.9127 11.9127 12.0498 12.0498 12.2565 12.2565 12.8279 12.8279 12.8488 12.8488 12.9244 12.9244 12.9900 12.9900 13.2023 13.2023 13.7699 13.7699 14.1282 14.1282 14.1442 14.1442 15.9740 15.9740 18.5801 18.5801 k = 0.5000 0.5000 0.3333 ( 1428 PWs) bands (ev): 5.8421 5.8421 8.9660 8.9660 8.9862 8.9862 9.8905 9.8905 10.2233 10.2233 10.8244 10.8244 10.8336 10.8336 11.8500 11.8500 11.9082 11.9082 12.0383 12.0383 12.2996 12.2996 12.8175 12.8175 12.8375 12.8375 12.9203 12.9203 12.9812 12.9812 13.2331 13.2331 13.7867 13.7867 14.0995 14.0995 14.1182 14.1182 15.8981 15.8981 18.5139 18.5139 k = 0.5000 0.5000 0.3444 ( 1432 PWs) bands (ev): 5.8505 5.8505 9.0302 9.0302 9.0503 9.0503 9.8771 9.8771 10.2307 10.2307 10.7889 10.7889 10.7989 10.7989 11.8496 11.8496 11.9031 11.9031 12.0278 12.0278 12.3410 12.3410 12.8054 12.8054 12.8241 12.8241 12.9163 12.9163 12.9721 12.9721 13.2640 13.2640 13.8023 13.8023 14.0728 14.0728 14.0939 14.0939 15.8269 15.8269 18.4527 18.4527 k = 0.5000 0.5000 0.3556 ( 1432 PWs) bands (ev): 5.8584 5.8584 9.0951 9.0951 9.1151 9.1151 9.8644 9.8644 10.2380 10.2380 10.7521 10.7521 10.7630 10.7630 11.8493 11.8493 11.8978 11.8978 12.0185 12.0185 12.3806 12.3806 12.7917 12.7917 12.8093 12.8093 12.9126 12.9126 12.9631 12.9631 13.2952 13.2952 13.8168 13.8168 14.0483 14.0483 14.0716 14.0716 15.7607 15.7607 18.3964 18.3964 k = 0.5000 0.5000 0.3667 ( 1424 PWs) bands (ev): 5.8660 5.8660 9.1605 9.1605 9.1803 9.1803 9.8527 9.8527 10.2451 10.2451 10.7140 10.7140 10.7259 10.7259 11.8492 11.8492 11.8923 11.8923 12.0105 12.0105 12.4182 12.4182 12.7769 12.7769 12.7932 12.7932 12.9093 12.9093 12.9542 12.9542 13.3263 13.3263 13.8302 13.8302 14.0264 14.0264 14.0514 14.0514 15.6994 15.6994 18.3447 18.3447 k = 0.5000 0.5000 0.3778 ( 1432 PWs) bands (ev): 5.8731 5.8731 9.2261 9.2261 9.2457 9.2457 9.8417 9.8417 10.2519 10.2519 10.6745 10.6745 10.6874 10.6874 11.8490 11.8490 11.8866 11.8866 12.0034 12.0034 12.4531 12.4531 12.7609 12.7609 12.7760 12.7760 12.9061 12.9061 12.9454 12.9454 13.3570 13.3570 13.8420 13.8420 14.0066 14.0066 14.0329 14.0329 15.6431 15.6431 18.2975 18.2975 k = 0.5000 0.5000 0.3889 ( 1432 PWs) bands (ev): 5.8797 5.8797 9.2917 9.2917 9.3111 9.3111 9.8317 9.8317 10.2584 10.2584 10.6338 10.6338 10.6477 10.6477 11.8488 11.8488 11.8810 11.8810 11.9974 11.9974 12.4855 12.4855 12.7446 12.7446 12.7584 12.7584 12.9031 12.9031 12.9369 12.9369 13.3872 13.3872 13.8525 13.8525 13.9896 13.9896 14.0166 14.0166 15.5918 15.5918 18.2548 18.2548 k = 0.5000 0.5000 0.4000 ( 1432 PWs) bands (ev): 5.8858 5.8858 9.3569 9.3569 9.3760 9.3760 9.8225 9.8225 10.2645 10.2645 10.5919 10.5919 10.6069 10.6069 11.8486 11.8486 11.8754 11.8754 11.9922 11.9922 12.5152 12.5152 12.7282 12.7282 12.7409 12.7409 12.9005 12.9005 12.9288 12.9288 13.4165 13.4165 13.8612 13.8612 13.9753 13.9753 14.0022 14.0022 15.5454 15.5454 18.2163 18.2163 k = 0.5000 0.5000 0.4111 ( 1432 PWs) bands (ev): 5.8914 5.8914 9.4212 9.4212 9.4400 9.4400 9.8143 9.8143 10.2702 10.2702 10.5491 10.5491 10.5652 10.5652 11.8484 11.8484 11.8702 11.8702 11.9879 11.9879 12.5419 12.5419 12.7121 12.7121 12.7238 12.7238 12.8980 12.8980 12.9211 12.9211 13.4444 13.4444 13.8681 13.8681 13.9639 13.9639 13.9896 13.9896 15.5040 15.5040 18.1818 18.1818 k = 0.5000 0.5000 0.4222 ( 1432 PWs) bands (ev): 5.8964 5.8964 9.4842 9.4842 9.5026 9.5026 9.8070 9.8070 10.2752 10.2752 10.5056 10.5056 10.5229 10.5229 11.8482 11.8482 11.8652 11.8652 11.9842 11.9842 12.5656 12.5656 12.6968 12.6968 12.7075 12.7075 12.8959 12.8959 12.9141 12.9141 13.4705 13.4705 13.8730 13.8730 13.9555 13.9555 13.9788 13.9788 15.4675 15.4675 18.1511 18.1511 k = 0.5000 0.5000 0.4333 ( 1432 PWs) bands (ev): 5.9008 5.9008 9.5451 9.5451 9.5631 9.5631 9.8007 9.8007 10.2797 10.2797 10.4621 10.4621 10.4807 10.4807 11.8480 11.8480 11.8608 11.8608 11.9811 11.9811 12.5861 12.5861 12.6826 12.6826 12.6925 12.6925 12.8940 12.8940 12.9077 12.9077 13.4944 13.4944 13.8758 13.8758 13.9498 13.9498 13.9697 13.9697 15.4359 15.4359 18.1240 18.1240 k = 0.5000 0.5000 0.4444 ( 1432 PWs) bands (ev): 5.9046 5.9046 9.6028 9.6028 9.6204 9.6204 9.7954 9.7954 10.2834 10.2834 10.4192 10.4192 10.4392 10.4392 11.8479 11.8479 11.8568 11.8568 11.9786 11.9786 12.6035 12.6035 12.6699 12.6699 12.6792 12.6792 12.8924 12.8924 12.9021 12.9021 13.5156 13.5156 13.8768 13.8768 13.9466 13.9466 13.9622 13.9622 15.4093 15.4093 18.1001 18.1001 k = 0.5000 0.5000 0.4556 ( 1432 PWs) bands (ev): 5.9077 5.9077 9.6561 9.6561 9.6732 9.6732 9.7912 9.7912 10.2861 10.2861 10.3783 10.3783 10.4000 10.4000 11.8478 11.8478 11.8535 11.8535 11.9765 11.9765 12.6176 12.6176 12.6590 12.6590 12.6679 12.6679 12.8911 12.8911 12.8974 12.8974 13.5337 13.5337 13.8766 13.8766 13.9453 13.9453 13.9562 13.9562 15.3875 15.3875 18.0792 18.0792 k = 0.5000 0.5000 0.4667 ( 1432 PWs) bands (ev): 5.9101 5.9101 9.7026 9.7026 9.7195 9.7195 9.7882 9.7882 10.2876 10.2876 10.3411 10.3411 10.3652 10.3652 11.8476 11.8476 11.8509 11.8509 11.9750 11.9750 12.6283 12.6283 12.6503 12.6503 12.6592 12.6592 12.8901 12.8901 12.8936 12.8936 13.5483 13.5483 13.8757 13.8757 13.9451 13.9451 13.9515 13.9515 15.3706 15.3706 18.0614 18.0614 k = 0.5000 0.5000 0.4778 ( 1448 PWs) bands (ev): 5.9118 5.9118 9.7393 9.7393 9.7565 9.7565 9.7866 9.7866 10.2872 10.2872 10.3105 10.3105 10.3379 10.3379 11.8474 11.8474 11.8489 11.8489 11.9738 11.9738 12.6351 12.6351 12.6436 12.6436 12.6532 12.6532 12.8893 12.8893 12.8905 12.8905 13.5590 13.5590 13.8744 13.8744 13.9450 13.9450 13.9479 13.9479 15.3585 15.3585 18.0472 18.0472 k = 0.5000 0.5000 0.4889 ( 1472 PWs) bands (ev): 5.9128 5.9128 9.7615 9.7615 9.7808 9.7808 9.7875 9.7875 10.2845 10.2845 10.2899 10.2899 10.3218 10.3218 11.8472 11.8472 11.8476 11.8476 11.9730 11.9730 12.6378 12.6378 12.6396 12.6396 12.6507 12.6507 12.8882 12.8882 12.8887 12.8887 13.5655 13.5655 13.8732 13.8732 13.9448 13.9448 13.9456 13.9456 15.3512 15.3512 18.0378 18.0378 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): 5.9131 5.9131 9.7680 9.7680 9.7894 9.7894 9.7894 9.7894 10.2825 10.2825 10.2825 10.2825 10.3170 10.3170 11.8472 11.8472 11.8472 11.8472 11.9727 11.9727 12.6383 12.6383 12.6383 12.6383 12.6504 12.6504 12.8881 12.8881 12.8881 12.8881 13.5677 13.5677 13.8729 13.8729 13.9449 13.9449 13.9449 13.9449 15.3488 15.3488 18.0346 18.0346 Writing output data file SiNi3.save init_run : 0.15s CPU 0.27s WALL ( 1 calls) electrons : 80.88s CPU 82.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 80.88s CPU 82.73s 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 : 0.05s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.03s WALL ( 347 calls) cegterg : 74.50s CPU 75.95s WALL ( 434 calls) Called by sum_band: Called by *egterg: h_psi : 29.40s CPU 30.42s WALL ( 7282 calls) s_psi : 3.50s CPU 3.47s WALL ( 7282 calls) g_psi : 0.06s CPU 0.07s WALL ( 6501 calls) cdiaghg : 40.46s CPU 41.12s WALL ( 6848 calls) cegterg:over : 2.25s CPU 2.34s WALL ( 6501 calls) cegterg:upda : 1.54s CPU 1.47s WALL ( 6501 calls) cegterg:last : 0.78s CPU 0.81s WALL ( 1128 calls) cdiaghg:chol : 2.12s CPU 2.09s WALL ( 6848 calls) cdiaghg:inve : 1.38s CPU 1.34s WALL ( 6848 calls) cdiaghg:para : 2.44s CPU 2.31s WALL ( 13696 calls) Called by h_psi: h_psi:vloc : 22.87s CPU 23.41s WALL ( 7282 calls) h_psi:vnl : 6.48s CPU 6.96s WALL ( 7282 calls) add_vuspsi : 3.69s CPU 3.91s WALL ( 7282 calls) General routines calbec : 2.78s CPU 3.04s WALL ( 7282 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 21.68s CPU 22.23s WALL ( 666996 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.10s WALL ( 694 calls) Parallel routines fft_scatter : 12.14s CPU 12.50s WALL ( 667019 calls) PWSCF : 1m30.17s CPU 1m41.77s WALL This run was terminated on: 20:31:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=