Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:26: 4 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: ./CuAu3.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 52 23 6 1738 487 80 Max 53 24 8 1743 509 85 Sum 1901 829 249 62669 17845 2969 bravais-lattice index = 14 lattice parameter (alat) = 7.5211 a.u. unit-cell volume = 425.4473 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.521109 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cu 11.00 63.54600 Cu( 1.00) Au 11.00 196.96660 Au( 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= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144927 0.0144927), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028985 0.2028985), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855072 0.4855072), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 Dense grid: 62669 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 17845 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 132, 52) NL pseudopotentials 0.14 Mb ( 66, 136) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1741) G-vector shells 0.00 Mb ( 387) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 132, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) The potential is recalculated from file : ./CuAu3.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.4 secs Computing kpt #: 11 total cpu time spent up to now is 6.8 secs Computing kpt #: 12 total cpu time spent up to now is 7.2 secs Computing kpt #: 13 total cpu time spent up to now is 7.7 secs Computing kpt #: 14 total cpu time spent up to now is 8.0 secs Computing kpt #: 15 total cpu time spent up to now is 8.4 secs Computing kpt #: 16 total cpu time spent up to now is 8.8 secs Computing kpt #: 17 total cpu time spent up to now is 9.2 secs Computing kpt #: 18 total cpu time spent up to now is 9.5 secs Computing kpt #: 19 total cpu time spent up to now is 9.9 secs Computing kpt #: 20 total cpu time spent up to now is 10.2 secs Computing kpt #: 21 total cpu time spent up to now is 10.6 secs Computing kpt #: 22 total cpu time spent up to now is 11.0 secs Computing kpt #: 23 total cpu time spent up to now is 11.3 secs Computing kpt #: 24 total cpu time spent up to now is 11.7 secs Computing kpt #: 25 total cpu time spent up to now is 12.0 secs Computing kpt #: 26 total cpu time spent up to now is 12.4 secs Computing kpt #: 27 total cpu time spent up to now is 12.8 secs Computing kpt #: 28 total cpu time spent up to now is 13.2 secs Computing kpt #: 29 total cpu time spent up to now is 13.6 secs Computing kpt #: 30 total cpu time spent up to now is 13.9 secs Computing kpt #: 31 total cpu time spent up to now is 14.3 secs Computing kpt #: 32 total cpu time spent up to now is 14.7 secs Computing kpt #: 33 total cpu time spent up to now is 15.1 secs Computing kpt #: 34 total cpu time spent up to now is 15.5 secs Computing kpt #: 35 total cpu time spent up to now is 15.9 secs Computing kpt #: 36 total cpu time spent up to now is 16.3 secs Computing kpt #: 37 total cpu time spent up to now is 16.7 secs Computing kpt #: 38 total cpu time spent up to now is 17.1 secs Computing kpt #: 39 total cpu time spent up to now is 17.6 secs Computing kpt #: 40 total cpu time spent up to now is 18.0 secs Computing kpt #: 41 total cpu time spent up to now is 18.4 secs Computing kpt #: 42 total cpu time spent up to now is 18.8 secs Computing kpt #: 43 total cpu time spent up to now is 19.2 secs Computing kpt #: 44 total cpu time spent up to now is 19.7 secs Computing kpt #: 45 total cpu time spent up to now is 20.1 secs Computing kpt #: 46 total cpu time spent up to now is 20.5 secs Computing kpt #: 47 total cpu time spent up to now is 21.0 secs Computing kpt #: 48 total cpu time spent up to now is 21.4 secs Computing kpt #: 49 total cpu time spent up to now is 21.9 secs Computing kpt #: 50 total cpu time spent up to now is 22.3 secs Computing kpt #: 51 total cpu time spent up to now is 22.7 secs Computing kpt #: 52 total cpu time spent up to now is 23.2 secs Computing kpt #: 53 total cpu time spent up to now is 23.6 secs Computing kpt #: 54 total cpu time spent up to now is 24.1 secs Computing kpt #: 55 total cpu time spent up to now is 24.5 secs Computing kpt #: 56 total cpu time spent up to now is 24.9 secs Computing kpt #: 57 total cpu time spent up to now is 25.4 secs Computing kpt #: 58 total cpu time spent up to now is 25.8 secs Computing kpt #: 59 total cpu time spent up to now is 26.3 secs Computing kpt #: 60 total cpu time spent up to now is 26.8 secs Computing kpt #: 61 total cpu time spent up to now is 27.2 secs Computing kpt #: 62 total cpu time spent up to now is 27.7 secs Computing kpt #: 63 total cpu time spent up to now is 28.1 secs Computing kpt #: 64 total cpu time spent up to now is 28.6 secs Computing kpt #: 65 total cpu time spent up to now is 29.1 secs Computing kpt #: 66 total cpu time spent up to now is 29.6 secs Computing kpt #: 67 total cpu time spent up to now is 30.0 secs Computing kpt #: 68 total cpu time spent up to now is 30.5 secs Computing kpt #: 69 total cpu time spent up to now is 31.1 secs Computing kpt #: 70 total cpu time spent up to now is 31.6 secs Computing kpt #: 71 total cpu time spent up to now is 32.1 secs Computing kpt #: 72 total cpu time spent up to now is 32.7 secs Computing kpt #: 73 total cpu time spent up to now is 33.2 secs Computing kpt #: 74 total cpu time spent up to now is 33.7 secs Computing kpt #: 75 total cpu time spent up to now is 34.2 secs Computing kpt #: 76 total cpu time spent up to now is 34.8 secs Computing kpt #: 77 total cpu time spent up to now is 35.2 secs Computing kpt #: 78 total cpu time spent up to now is 35.7 secs Computing kpt #: 79 total cpu time spent up to now is 36.2 secs Computing kpt #: 80 total cpu time spent up to now is 36.8 secs Computing kpt #: 81 total cpu time spent up to now is 37.4 secs Computing kpt #: 82 total cpu time spent up to now is 38.0 secs Computing kpt #: 83 total cpu time spent up to now is 38.6 secs Computing kpt #: 84 total cpu time spent up to now is 39.2 secs Computing kpt #: 85 total cpu time spent up to now is 39.8 secs Computing kpt #: 86 total cpu time spent up to now is 40.3 secs Computing kpt #: 87 total cpu time spent up to now is 40.9 secs Computing kpt #: 88 total cpu time spent up to now is 41.5 secs Computing kpt #: 89 total cpu time spent up to now is 42.3 secs Computing kpt #: 90 total cpu time spent up to now is 43.0 secs Computing kpt #: 91 total cpu time spent up to now is 43.7 secs Computing kpt #: 92 total cpu time spent up to now is 44.2 secs Computing kpt #: 93 total cpu time spent up to now is 44.7 secs Computing kpt #: 94 total cpu time spent up to now is 45.2 secs Computing kpt #: 95 total cpu time spent up to now is 45.6 secs Computing kpt #: 96 total cpu time spent up to now is 46.1 secs Computing kpt #: 97 total cpu time spent up to now is 46.6 secs Computing kpt #: 98 total cpu time spent up to now is 47.0 secs Computing kpt #: 99 total cpu time spent up to now is 47.4 secs Computing kpt #: 100 total cpu time spent up to now is 47.9 secs Computing kpt #: 101 total cpu time spent up to now is 48.3 secs Computing kpt #: 102 total cpu time spent up to now is 48.7 secs Computing kpt #: 103 total cpu time spent up to now is 49.2 secs Computing kpt #: 104 total cpu time spent up to now is 49.6 secs Computing kpt #: 105 total cpu time spent up to now is 50.1 secs Computing kpt #: 106 total cpu time spent up to now is 50.5 secs Computing kpt #: 107 total cpu time spent up to now is 51.0 secs Computing kpt #: 108 total cpu time spent up to now is 51.5 secs Computing kpt #: 109 total cpu time spent up to now is 51.9 secs Computing kpt #: 110 total cpu time spent up to now is 52.4 secs Computing kpt #: 111 total cpu time spent up to now is 52.9 secs Computing kpt #: 112 total cpu time spent up to now is 53.3 secs Computing kpt #: 113 total cpu time spent up to now is 53.8 secs Computing kpt #: 114 total cpu time spent up to now is 54.3 secs Computing kpt #: 115 total cpu time spent up to now is 54.8 secs Computing kpt #: 116 total cpu time spent up to now is 55.4 secs Computing kpt #: 117 total cpu time spent up to now is 56.0 secs Computing kpt #: 118 total cpu time spent up to now is 56.7 secs Computing kpt #: 119 total cpu time spent up to now is 57.5 secs Computing kpt #: 120 total cpu time spent up to now is 58.2 secs Computing kpt #: 121 total cpu time spent up to now is 58.8 secs Computing kpt #: 122 total cpu time spent up to now is 59.3 secs Computing kpt #: 123 total cpu time spent up to now is 59.9 secs Computing kpt #: 124 total cpu time spent up to now is 60.4 secs Computing kpt #: 125 total cpu time spent up to now is 60.9 secs Computing kpt #: 126 total cpu time spent up to now is 61.4 secs Computing kpt #: 127 total cpu time spent up to now is 61.8 secs Computing kpt #: 128 total cpu time spent up to now is 62.3 secs Computing kpt #: 129 total cpu time spent up to now is 62.7 secs Computing kpt #: 130 total cpu time spent up to now is 63.2 secs Computing kpt #: 131 total cpu time spent up to now is 63.7 secs Computing kpt #: 132 total cpu time spent up to now is 64.1 secs Computing kpt #: 133 total cpu time spent up to now is 64.5 secs Computing kpt #: 134 total cpu time spent up to now is 65.0 secs Computing kpt #: 135 total cpu time spent up to now is 65.4 secs Computing kpt #: 136 total cpu time spent up to now is 65.8 secs Computing kpt #: 137 total cpu time spent up to now is 66.2 secs Computing kpt #: 138 total cpu time spent up to now is 66.6 secs Computing kpt #: 139 total cpu time spent up to now is 67.0 secs Computing kpt #: 140 total cpu time spent up to now is 67.4 secs Computing kpt #: 141 total cpu time spent up to now is 67.8 secs Computing kpt #: 142 total cpu time spent up to now is 68.2 secs Computing kpt #: 143 total cpu time spent up to now is 68.7 secs Computing kpt #: 144 total cpu time spent up to now is 69.1 secs Computing kpt #: 145 total cpu time spent up to now is 69.5 secs Computing kpt #: 146 total cpu time spent up to now is 69.9 secs Computing kpt #: 147 total cpu time spent up to now is 70.4 secs Computing kpt #: 148 total cpu time spent up to now is 70.8 secs Computing kpt #: 149 total cpu time spent up to now is 71.3 secs Computing kpt #: 150 total cpu time spent up to now is 71.7 secs Computing kpt #: 151 total cpu time spent up to now is 72.2 secs Computing kpt #: 152 total cpu time spent up to now is 72.6 secs Computing kpt #: 153 total cpu time spent up to now is 73.1 secs Computing kpt #: 154 total cpu time spent up to now is 73.6 secs Computing kpt #: 155 total cpu time spent up to now is 74.1 secs Computing kpt #: 156 total cpu time spent up to now is 74.6 secs Computing kpt #: 157 total cpu time spent up to now is 75.2 secs Computing kpt #: 158 total cpu time spent up to now is 75.9 secs Computing kpt #: 159 total cpu time spent up to now is 76.5 secs Computing kpt #: 160 total cpu time spent up to now is 77.4 secs Computing kpt #: 161 total cpu time spent up to now is 78.1 secs Computing kpt #: 162 total cpu time spent up to now is 78.5 secs Computing kpt #: 163 total cpu time spent up to now is 79.0 secs Computing kpt #: 164 total cpu time spent up to now is 79.5 secs Computing kpt #: 165 total cpu time spent up to now is 79.9 secs Computing kpt #: 166 total cpu time spent up to now is 80.4 secs Computing kpt #: 167 total cpu time spent up to now is 80.8 secs Computing kpt #: 168 total cpu time spent up to now is 81.3 secs Computing kpt #: 169 total cpu time spent up to now is 81.7 secs Computing kpt #: 170 total cpu time spent up to now is 82.2 secs Computing kpt #: 171 total cpu time spent up to now is 82.6 secs Computing kpt #: 172 total cpu time spent up to now is 83.1 secs Computing kpt #: 173 total cpu time spent up to now is 83.6 secs Computing kpt #: 174 total cpu time spent up to now is 84.0 secs Computing kpt #: 175 total cpu time spent up to now is 84.5 secs Computing kpt #: 176 total cpu time spent up to now is 84.9 secs Computing kpt #: 177 total cpu time spent up to now is 85.4 secs Computing kpt #: 178 total cpu time spent up to now is 85.9 secs Computing kpt #: 179 total cpu time spent up to now is 86.3 secs Computing kpt #: 180 total cpu time spent up to now is 86.8 secs Computing kpt #: 181 total cpu time spent up to now is 87.2 secs Computing kpt #: 182 total cpu time spent up to now is 87.7 secs Computing kpt #: 183 total cpu time spent up to now is 88.1 secs Computing kpt #: 184 total cpu time spent up to now is 88.6 secs Computing kpt #: 185 total cpu time spent up to now is 89.0 secs Computing kpt #: 186 total cpu time spent up to now is 89.5 secs Computing kpt #: 187 total cpu time spent up to now is 89.9 secs Computing kpt #: 188 total cpu time spent up to now is 90.3 secs Computing kpt #: 189 total cpu time spent up to now is 90.8 secs Computing kpt #: 190 total cpu time spent up to now is 91.2 secs Computing kpt #: 191 total cpu time spent up to now is 91.6 secs Computing kpt #: 192 total cpu time spent up to now is 92.1 secs Computing kpt #: 193 total cpu time spent up to now is 92.5 secs Computing kpt #: 194 total cpu time spent up to now is 92.9 secs Computing kpt #: 195 total cpu time spent up to now is 93.3 secs Computing kpt #: 196 total cpu time spent up to now is 93.7 secs Computing kpt #: 197 total cpu time spent up to now is 94.1 secs Computing kpt #: 198 total cpu time spent up to now is 94.5 secs Computing kpt #: 199 total cpu time spent up to now is 94.9 secs Computing kpt #: 200 total cpu time spent up to now is 95.3 secs Computing kpt #: 201 total cpu time spent up to now is 95.7 secs Computing kpt #: 202 total cpu time spent up to now is 96.2 secs Computing kpt #: 203 total cpu time spent up to now is 96.6 secs Computing kpt #: 204 total cpu time spent up to now is 97.0 secs Computing kpt #: 205 total cpu time spent up to now is 97.4 secs Computing kpt #: 206 total cpu time spent up to now is 97.9 secs Computing kpt #: 207 total cpu time spent up to now is 98.3 secs Computing kpt #: 208 total cpu time spent up to now is 98.8 secs Computing kpt #: 209 total cpu time spent up to now is 99.1 secs Computing kpt #: 210 total cpu time spent up to now is 99.4 secs Computing kpt #: 211 total cpu time spent up to now is 99.9 secs Computing kpt #: 212 total cpu time spent up to now is 100.4 secs Computing kpt #: 213 total cpu time spent up to now is 100.8 secs Computing kpt #: 214 total cpu time spent up to now is 101.3 secs Computing kpt #: 215 total cpu time spent up to now is 101.7 secs Computing kpt #: 216 total cpu time spent up to now is 102.1 secs Computing kpt #: 217 total cpu time spent up to now is 102.6 secs Computing kpt #: 218 total cpu time spent up to now is 103.0 secs Computing kpt #: 219 total cpu time spent up to now is 103.4 secs Computing kpt #: 220 total cpu time spent up to now is 103.8 secs Computing kpt #: 221 total cpu time spent up to now is 104.3 secs Computing kpt #: 222 total cpu time spent up to now is 104.7 secs Computing kpt #: 223 total cpu time spent up to now is 105.1 secs Computing kpt #: 224 total cpu time spent up to now is 105.5 secs Computing kpt #: 225 total cpu time spent up to now is 105.9 secs Computing kpt #: 226 total cpu time spent up to now is 106.3 secs Computing kpt #: 227 total cpu time spent up to now is 106.7 secs Computing kpt #: 228 total cpu time spent up to now is 107.1 secs Computing kpt #: 229 total cpu time spent up to now is 107.4 secs Computing kpt #: 230 total cpu time spent up to now is 107.8 secs Computing kpt #: 231 total cpu time spent up to now is 108.1 secs Computing kpt #: 232 total cpu time spent up to now is 108.5 secs Computing kpt #: 233 total cpu time spent up to now is 108.9 secs Computing kpt #: 234 total cpu time spent up to now is 109.2 secs Computing kpt #: 235 total cpu time spent up to now is 109.6 secs Computing kpt #: 236 total cpu time spent up to now is 109.9 secs Computing kpt #: 237 total cpu time spent up to now is 110.2 secs Computing kpt #: 238 total cpu time spent up to now is 110.6 secs Computing kpt #: 239 total cpu time spent up to now is 110.9 secs Computing kpt #: 240 total cpu time spent up to now is 111.2 secs Computing kpt #: 241 total cpu time spent up to now is 111.6 secs Computing kpt #: 242 total cpu time spent up to now is 111.9 secs Computing kpt #: 243 total cpu time spent up to now is 112.2 secs Computing kpt #: 244 total cpu time spent up to now is 112.6 secs Computing kpt #: 245 total cpu time spent up to now is 112.9 secs Computing kpt #: 246 total cpu time spent up to now is 113.2 secs Computing kpt #: 247 total cpu time spent up to now is 113.6 secs Computing kpt #: 248 total cpu time spent up to now is 113.9 secs Computing kpt #: 249 total cpu time spent up to now is 114.2 secs Computing kpt #: 250 total cpu time spent up to now is 114.6 secs Computing kpt #: 251 total cpu time spent up to now is 114.9 secs Computing kpt #: 252 total cpu time spent up to now is 115.3 secs Computing kpt #: 253 total cpu time spent up to now is 115.6 secs Computing kpt #: 254 total cpu time spent up to now is 116.0 secs Computing kpt #: 255 total cpu time spent up to now is 116.4 secs Computing kpt #: 256 total cpu time spent up to now is 116.7 secs Computing kpt #: 257 total cpu time spent up to now is 117.1 secs Computing kpt #: 258 total cpu time spent up to now is 117.5 secs Computing kpt #: 259 total cpu time spent up to now is 118.0 secs Computing kpt #: 260 total cpu time spent up to now is 118.4 secs Computing kpt #: 261 total cpu time spent up to now is 118.8 secs Computing kpt #: 262 total cpu time spent up to now is 119.3 secs Computing kpt #: 263 total cpu time spent up to now is 119.7 secs Computing kpt #: 264 total cpu time spent up to now is 120.1 secs Computing kpt #: 265 total cpu time spent up to now is 120.5 secs Computing kpt #: 266 total cpu time spent up to now is 120.9 secs Computing kpt #: 267 total cpu time spent up to now is 121.6 secs Computing kpt #: 268 total cpu time spent up to now is 122.2 secs Computing kpt #: 269 total cpu time spent up to now is 122.8 secs Computing kpt #: 270 total cpu time spent up to now is 123.3 secs Computing kpt #: 271 total cpu time spent up to now is 124.7 secs Computing kpt #: 272 total cpu time spent up to now is 125.1 secs Computing kpt #: 273 total cpu time spent up to now is 125.6 secs Computing kpt #: 274 total cpu time spent up to now is 126.1 secs Computing kpt #: 275 total cpu time spent up to now is 126.5 secs Computing kpt #: 276 total cpu time spent up to now is 127.0 secs Computing kpt #: 277 total cpu time spent up to now is 127.5 secs Computing kpt #: 278 total cpu time spent up to now is 127.9 secs Computing kpt #: 279 total cpu time spent up to now is 128.4 secs Computing kpt #: 280 total cpu time spent up to now is 128.9 secs Computing kpt #: 281 total cpu time spent up to now is 129.3 secs Computing kpt #: 282 total cpu time spent up to now is 129.8 secs Computing kpt #: 283 total cpu time spent up to now is 130.2 secs Computing kpt #: 284 total cpu time spent up to now is 130.7 secs Computing kpt #: 285 total cpu time spent up to now is 131.2 secs Computing kpt #: 286 total cpu time spent up to now is 131.6 secs Computing kpt #: 287 total cpu time spent up to now is 132.1 secs Computing kpt #: 288 total cpu time spent up to now is 132.6 secs Computing kpt #: 289 total cpu time spent up to now is 133.0 secs Computing kpt #: 290 total cpu time spent up to now is 133.5 secs Computing kpt #: 291 total cpu time spent up to now is 133.9 secs Computing kpt #: 292 total cpu time spent up to now is 134.4 secs Computing kpt #: 293 total cpu time spent up to now is 134.9 secs Computing kpt #: 294 total cpu time spent up to now is 135.3 secs Computing kpt #: 295 total cpu time spent up to now is 135.8 secs Computing kpt #: 296 total cpu time spent up to now is 136.2 secs Computing kpt #: 297 total cpu time spent up to now is 136.7 secs Computing kpt #: 298 total cpu time spent up to now is 137.2 secs Computing kpt #: 299 total cpu time spent up to now is 137.6 secs Computing kpt #: 300 total cpu time spent up to now is 138.1 secs Computing kpt #: 301 total cpu time spent up to now is 138.6 secs Computing kpt #: 302 total cpu time spent up to now is 139.2 secs Computing kpt #: 303 total cpu time spent up to now is 139.7 secs Computing kpt #: 304 total cpu time spent up to now is 140.2 secs Computing kpt #: 305 total cpu time spent up to now is 140.6 secs Computing kpt #: 306 total cpu time spent up to now is 141.1 secs Computing kpt #: 307 total cpu time spent up to now is 141.4 secs ethr = 2.27E-08, avg # of iterations = 26.1 total cpu time spent up to now is 141.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): 5.4507 5.4507 7.7822 7.7822 8.5130 8.5130 8.5130 8.5130 8.5193 8.5193 8.7732 8.7732 8.7732 8.7732 10.9784 10.9784 10.9784 10.9784 11.6581 11.6581 12.6788 12.6788 12.6788 12.6788 13.4212 13.4212 13.4776 13.4776 13.6381 13.6381 13.6381 13.6381 13.9111 13.9111 13.9111 13.9111 14.2960 14.2960 14.4020 14.4020 14.4020 14.4020 16.0783 16.0783 16.0783 16.0783 16.6932 16.6932 21.4076 21.4076 21.4076 21.4076 k = 0.0000 0.0125-0.0000 ( 2237 PWs) bands (ev): 5.4525 5.4525 7.7833 7.7833 8.5137 8.5137 8.5138 8.5138 8.5201 8.5201 8.7737 8.7737 8.7743 8.7743 10.9781 10.9781 10.9784 10.9784 11.6579 11.6579 12.6777 12.6777 12.6787 12.6787 13.4199 13.4199 13.4740 13.4740 13.6356 13.6356 13.6371 13.6371 13.9094 13.9094 13.9095 13.9095 14.2938 14.2938 14.3982 14.3982 14.3987 14.3987 16.0744 16.0744 16.0876 16.0876 16.6935 16.6935 21.4072 21.4072 21.4172 21.4172 k = 0.0000 0.0250-0.0000 ( 2237 PWs) bands (ev): 5.4581 5.4581 7.7866 7.7866 8.5160 8.5160 8.5161 8.5161 8.5224 8.5224 8.7753 8.7753 8.7775 8.7775 10.9774 10.9774 10.9785 10.9785 11.6576 11.6576 12.6744 12.6744 12.6785 12.6785 13.4162 13.4162 13.4633 13.4633 13.6284 13.6284 13.6348 13.6348 13.9044 13.9044 13.9051 13.9051 14.2877 14.2877 14.3875 14.3875 14.3893 14.3893 16.0607 16.0607 16.1151 16.1151 16.6964 16.6964 21.4060 21.4060 21.4450 21.4450 k = 0.0000 0.0375-0.0000 ( 2237 PWs) bands (ev): 5.4673 5.4673 7.7922 7.7922 8.5198 8.5198 8.5198 8.5198 8.5265 8.5265 8.7779 8.7779 8.7830 8.7830 10.9763 10.9763 10.9788 10.9788 11.6569 11.6569 12.6690 12.6690 12.6781 12.6781 13.4099 13.4099 13.4449 13.4449 13.6160 13.6160 13.6312 13.6312 13.8964 13.8964 13.8978 13.8978 14.2776 14.2776 14.3707 14.3707 14.3754 14.3754 16.0324 16.0324 16.1595 16.1595 16.7070 16.7070 21.4039 21.4039 21.4871 21.4871 k = 0.0000 0.0500-0.0000 ( 2253 PWs) bands (ev): 5.4802 5.4802 7.7998 7.7998 8.5246 8.5246 8.5250 8.5250 8.5325 8.5325 8.7816 8.7816 8.7906 8.7906 10.9746 10.9746 10.9791 10.9791 11.6560 11.6560 12.6613 12.6613 12.6774 12.6774 13.4008 13.4008 13.4184 13.4184 13.5982 13.5982 13.6267 13.6267 13.8854 13.8854 13.8878 13.8878 14.2639 14.2639 14.3493 14.3493 14.3586 14.3586 15.9844 15.9844 16.2191 16.2191 16.7313 16.7313 21.4010 21.4010 21.5371 21.5371 k = 0.0000 0.0625-0.0000 ( 2249 PWs) bands (ev): 5.4967 5.4967 7.8097 7.8097 8.5305 8.5305 8.5316 8.5316 8.5405 8.5405 8.7864 8.7864 8.8004 8.8004 10.9725 10.9725 10.9795 10.9795 11.6549 11.6549 12.6516 12.6516 12.6764 12.6764 13.3835 13.3835 13.3887 13.3887 13.5749 13.5749 13.6218 13.6218 13.8720 13.8720 13.8751 13.8751 14.2475 14.2475 14.3249 14.3249 14.3402 14.3402 15.9137 15.9137 16.2920 16.2920 16.7728 16.7728 21.3973 21.3973 21.5871 21.5871 k = 0.0000 0.0750-0.0000 ( 2245 PWs) bands (ev): 5.5169 5.5169 7.8217 7.8217 8.5374 8.5374 8.5396 8.5396 8.5504 8.5504 8.7923 8.7923 8.8125 8.8125 10.9699 10.9699 10.9800 10.9800 11.6535 11.6535 12.6398 12.6398 12.6750 12.6750 13.3402 13.3402 13.3730 13.3730 13.5460 13.5460 13.6165 13.6165 13.8568 13.8568 13.8600 13.8600 14.2296 14.2296 14.2988 14.2988 14.3211 14.3211 15.8210 15.8210 16.3762 16.3762 16.8319 16.8319 21.3929 21.3929 21.6288 21.6288 k = 0.0000 0.0875-0.0000 ( 2241 PWs) bands (ev): 5.5408 5.5408 7.8358 7.8358 8.5452 8.5452 8.5490 8.5490 8.5623 8.5623 8.7994 8.7994 8.8267 8.8267 10.9669 10.9669 10.9804 10.9804 11.6519 11.6519 12.6258 12.6258 12.6729 12.6729 13.2885 13.2885 13.3532 13.3532 13.5122 13.5122 13.6107 13.6107 13.8403 13.8403 13.8424 13.8424 14.2116 14.2116 14.2724 14.2724 14.3013 14.3013 15.7091 15.7091 16.4700 16.4700 16.9069 16.9069 21.3877 21.3877 21.6565 21.6565 k = 0.0000 0.1000-0.0000 ( 2233 PWs) bands (ev): 5.5682 5.5682 7.8520 7.8520 8.5539 8.5539 8.5595 8.5595 8.5760 8.5760 8.8077 8.8077 8.8432 8.8432 10.9633 10.9633 10.9807 10.9807 11.6501 11.6501 12.6098 12.6098 12.6700 12.6700 13.2291 13.2291 13.3280 13.3280 13.4751 13.4751 13.6046 13.6046 13.8228 13.8228 13.8233 13.8233 14.1944 14.1944 14.2464 14.2464 14.2808 14.2808 15.5816 15.5816 16.5719 16.5719 16.9951 16.9951 21.3818 21.3818 21.6687 21.6687 k = 0.0000 0.1125-0.0000 ( 2229 PWs) bands (ev): 5.5992 5.5992 7.8702 7.8702 8.5636 8.5636 8.5711 8.5711 8.5916 8.5916 8.8172 8.8172 8.8619 8.8619 10.9591 10.9591 10.9808 10.9808 11.6479 11.6479 12.5918 12.5918 12.6658 12.6658 13.1626 13.1626 13.2965 13.2965 13.4366 13.4366 13.5979 13.5979 13.8012 13.8012 13.8061 13.8061 14.1787 14.1787 14.2214 14.2214 14.2593 14.2593 15.4419 15.4419 16.6806 16.6806 17.0943 17.0943 21.3751 21.3751 21.6671 21.6671 k = 0.0000 0.1250-0.0000 ( 2228 PWs) bands (ev): 5.6337 5.6337 7.8903 7.8903 8.5741 8.5741 8.5837 8.5837 8.6089 8.6089 8.8281 8.8281 8.8828 8.8828 10.9544 10.9544 10.9808 10.9808 11.6455 11.6455 12.5718 12.5718 12.6599 12.6599 13.0897 13.0897 13.2578 13.2578 13.3988 13.3988 13.5905 13.5905 13.7777 13.7777 13.7890 13.7890 14.1647 14.1647 14.1978 14.1978 14.2367 14.2367 15.2932 15.2932 16.7951 16.7951 17.2025 17.2025 21.3678 21.3678 21.6542 21.6542 k = 0.0000 0.1375-0.0000 ( 2232 PWs) bands (ev): 5.6717 5.6717 7.9123 7.9123 8.5854 8.5854 8.5971 8.5971 8.6279 8.6279 8.8403 8.8403 8.9058 8.9058 10.9492 10.9492 10.9803 10.9803 11.6427 11.6427 12.5499 12.5499 12.6516 12.6516 13.0115 13.0115 13.2130 13.2130 13.3628 13.3628 13.5820 13.5820 13.7526 13.7526 13.7720 13.7720 14.1525 14.1525 14.1755 14.1755 14.2129 14.2129 15.1380 15.1380 16.9144 16.9144 17.3181 17.3181 21.3598 21.3598 21.6327 21.6327 k = 0.0000 0.1500-0.0000 ( 2232 PWs) bands (ev): 5.7132 5.7132 7.9362 7.9362 8.5974 8.5974 8.6111 8.6111 8.6486 8.6486 8.8541 8.8541 8.9309 8.9309 10.9434 10.9434 10.9795 10.9795 11.6394 11.6394 12.5260 12.5260 12.6400 12.6400 12.9287 12.9287 13.1642 13.1642 13.3282 13.3282 13.5723 13.5723 13.7262 13.7262 13.7551 13.7551 14.1417 14.1417 14.1545 14.1545 14.1881 14.1881 14.9787 14.9787 17.0379 17.0379 17.4400 17.4400 21.3512 21.3512 21.6047 21.6047 k = 0.0000 0.1625-0.0000 ( 2232 PWs) bands (ev): 5.7581 5.7581 7.9617 7.9617 8.6102 8.6102 8.6255 8.6255 8.6709 8.6709 8.8696 8.8696 8.9581 8.9581 10.9371 10.9371 10.9781 10.9781 11.6357 11.6357 12.5001 12.5001 12.6241 12.6241 12.8424 12.8424 13.1148 13.1148 13.2941 13.2941 13.5608 13.5608 13.6986 13.6986 13.7382 13.7382 14.1323 14.1323 14.1348 14.1348 14.1623 14.1623 14.8173 14.8173 17.1651 17.1651 17.5670 17.5670 21.3420 21.3420 21.5717 21.5717 k = 0.0000 0.1750-0.0000 ( 2232 PWs) bands (ev): 5.8063 5.8063 7.9889 7.9889 8.6236 8.6236 8.6402 8.6402 8.6949 8.6949 8.8869 8.8869 8.9872 8.9872 10.9303 10.9303 10.9760 10.9760 11.6313 11.6313 12.4722 12.4722 12.6026 12.6026 12.7533 12.7533 13.0678 13.0678 13.2595 13.2595 13.5465 13.5465 13.6702 13.6702 13.7214 13.7214 14.1162 14.1162 14.1238 14.1238 14.1357 14.1357 14.6560 14.6560 17.2953 17.2953 17.6986 17.6986 21.3322 21.3322 21.5352 21.5352 k = 0.0000 0.1875-0.0000 ( 2244 PWs) bands (ev): 5.8577 5.8577 8.0177 8.0177 8.6375 8.6375 8.6548 8.6548 8.7204 8.7204 8.9061 8.9061 9.0182 9.0182 10.9230 10.9230 10.9731 10.9731 11.6260 11.6260 12.4418 12.4418 12.5745 12.5745 12.6627 12.6627 13.0259 13.0259 13.2240 13.2240 13.5282 13.5282 13.6418 13.6418 13.7044 13.7044 14.0985 14.0985 14.1071 14.1071 14.1175 14.1175 14.4968 14.4968 17.4283 17.4283 17.8340 17.8340 21.3220 21.3220 21.4960 21.4960 k = 0.0000 0.2000-0.0000 ( 2252 PWs) bands (ev): 5.9124 5.9124 8.0478 8.0478 8.6520 8.6520 8.6691 8.6691 8.7474 8.7474 8.9274 8.9274 9.0509 9.0509 10.9153 10.9153 10.9692 10.9692 11.6197 11.6197 12.4078 12.4078 12.5394 12.5394 12.5723 12.5723 12.9908 12.9908 13.1871 13.1871 13.5037 13.5037 13.6144 13.6144 13.6873 13.6873 14.0792 14.0792 14.0814 14.0814 14.1109 14.1109 14.3424 14.3424 17.5637 17.5637 17.9729 17.9729 21.3113 21.3113 21.4549 21.4549 k = 0.0000 0.2125-0.0000 ( 2252 PWs) bands (ev): 5.9701 5.9701 8.0793 8.0793 8.6669 8.6669 8.6829 8.6829 8.7760 8.7760 8.9509 8.9509 9.0853 9.0853 10.9071 10.9071 10.9641 10.9641 11.6120 11.6120 12.3668 12.3668 12.4862 12.4862 12.4977 12.4977 12.9629 12.9629 13.1489 13.1489 13.4704 13.4704 13.5891 13.5891 13.6700 13.6700 14.0506 14.0506 14.0639 14.0639 14.1052 14.1052 14.1967 14.1967 17.7011 17.7011 18.1147 18.1147 21.3002 21.3002 21.4126 21.4126 k = 0.0000 0.2250-0.0000 ( 2252 PWs) bands (ev): 6.0309 6.0309 8.1118 8.1118 8.6822 8.6822 8.6960 8.6960 8.8059 8.8059 8.9766 8.9766 9.1210 9.1210 10.8987 10.8987 10.9576 10.9576 11.6025 11.6025 12.3101 12.3101 12.4135 12.4135 12.4508 12.4508 12.9417 12.9417 13.1096 13.1096 13.4254 13.4254 13.5660 13.5660 13.6523 13.6523 14.0217 14.0217 14.0307 14.0307 14.0783 14.0783 14.1003 14.1003 17.8403 17.8403 18.2591 18.2591 21.2887 21.2887 21.3696 21.3696 k = 0.0000 0.2375-0.0000 ( 2252 PWs) bands (ev): 6.0945 6.0945 8.1454 8.1454 8.6978 8.6978 8.7083 8.7083 8.8373 8.8373 9.0047 9.0047 9.1581 9.1581 10.8901 10.8901 10.9495 10.9495 11.5907 11.5907 12.2317 12.2317 12.3606 12.3606 12.4008 12.4008 12.9254 12.9254 13.0696 13.0696 13.3665 13.3665 13.5443 13.5443 13.6344 13.6344 13.9282 13.9282 13.9927 13.9927 14.0454 14.0454 14.0959 14.0959 17.9811 17.9811 18.4058 18.4058 21.2770 21.2770 21.3264 21.3264 k = 0.0000 0.2500-0.0000 ( 2252 PWs) bands (ev): 6.1609 6.1609 8.1797 8.1797 8.7137 8.7137 8.7194 8.7194 8.8699 8.8699 9.0352 9.0352 9.1962 9.1962 10.8812 10.8812 10.9395 10.9395 11.5762 11.5762 12.1400 12.1400 12.3195 12.3195 12.3499 12.3499 12.9116 12.9116 13.0304 13.0304 13.2919 13.2919 13.5229 13.5229 13.6160 13.6160 13.8277 13.8277 13.9638 13.9638 14.0304 14.0304 14.0919 14.0919 18.1232 18.1232 18.5546 18.5546 21.2651 21.2651 21.2833 21.2833 k = 0.0000 0.2625-0.0000 ( 2252 PWs) bands (ev): 6.2300 6.2300 8.2146 8.2146 8.7294 8.7294 8.7297 8.7297 8.9038 8.9038 9.0681 9.0681 9.2351 9.2351 10.8723 10.8723 10.9274 10.9274 11.5584 11.5584 12.0427 12.0427 12.2830 12.2830 12.3000 12.3000 12.8963 12.8963 12.9950 12.9950 13.2022 13.2022 13.5004 13.5004 13.5973 13.5973 13.7466 13.7466 13.9354 13.9354 14.0178 14.0178 14.0884 14.0884 18.2664 18.2664 18.7053 18.7053 21.2408 21.2408 21.2530 21.2530 k = 0.0000 0.2750-0.0000 ( 2252 PWs) bands (ev): 6.3015 6.3015 8.2499 8.2499 8.7381 8.7381 8.7458 8.7458 8.9389 8.9389 9.1032 9.1032 9.2745 9.2745 10.8635 10.8635 10.9130 10.9130 11.5367 11.5367 11.9427 11.9427 12.2484 12.2484 12.2529 12.2529 12.8733 12.8733 12.9688 12.9688 13.1006 13.1006 13.4763 13.4763 13.5780 13.5780 13.6847 13.6847 13.9075 13.9075 14.0063 14.0063 14.0852 14.0852 18.4105 18.4105 18.8576 18.8576 21.1992 21.1992 21.2409 21.2409 k = 0.0000 0.2875-0.0000 ( 2252 PWs) bands (ev): 6.3752 6.3752 8.2853 8.2853 8.7453 8.7453 8.7619 8.7619 8.9750 8.9750 9.1407 9.1407 9.3142 9.3142 10.8548 10.8548 10.8961 10.8961 11.5109 11.5109 11.8412 11.8412 12.2099 12.2099 12.2148 12.2148 12.8389 12.8389 12.9551 12.9551 12.9922 12.9922 13.4502 13.4502 13.5583 13.5583 13.6382 13.6382 13.8803 13.8803 13.9959 13.9959 14.0823 14.0823 18.5553 18.5553 19.0114 19.0114 21.1587 21.1587 21.2287 21.2287 k = 0.0000 0.3000-0.0000 ( 2252 PWs) bands (ev): 6.4511 6.4511 8.3204 8.3204 8.7511 8.7511 8.7780 8.7780 9.0120 9.0120 9.1803 9.1803 9.3539 9.3539 10.8464 10.8464 10.8764 10.8764 11.4806 11.4806 11.7389 11.7389 12.1720 12.1720 12.1819 12.1819 12.7961 12.7961 12.8822 12.8822 12.9505 12.9505 13.4227 13.4227 13.5381 13.5381 13.6030 13.6030 13.8542 13.8542 13.9863 13.9863 14.0798 14.0798 18.7005 18.7005 19.1665 19.1665 21.1196 21.1196 21.2165 21.2165 k = 0.0000 0.3125-0.0000 ( 2252 PWs) bands (ev): 6.5287 6.5287 8.3549 8.3549 8.7553 8.7553 8.7939 8.7939 9.0499 9.0499 9.2222 9.2222 9.3932 9.3932 10.8384 10.8384 10.8537 10.8537 11.4461 11.4461 11.6361 11.6361 12.1397 12.1397 12.1494 12.1494 12.7489 12.7489 12.7743 12.7743 12.9510 12.9510 13.3942 13.3942 13.5174 13.5174 13.5755 13.5755 13.8292 13.8292 13.9775 13.9775 14.0775 14.0775 18.8460 18.8460 19.3227 19.3227 21.0822 21.0822 21.2045 21.2045 k = 0.0000 0.3250-0.0000 ( 2244 PWs) bands (ev): 6.6078 6.6078 8.3884 8.3884 8.7581 8.7581 8.8095 8.8095 9.0884 9.0884 9.2661 9.2661 9.4318 9.4318 10.8279 10.8279 10.8308 10.8308 11.4079 11.4079 11.5335 11.5335 12.1129 12.1129 12.1172 12.1172 12.6717 12.6717 12.6994 12.6994 12.9546 12.9546 13.3658 13.3658 13.4964 13.4964 13.5533 13.5533 13.8055 13.8055 13.9694 13.9694 14.0755 14.0755 18.9914 18.9914 19.4798 19.4798 21.0466 21.0466 21.1926 21.1926 k = 0.0000 0.3375-0.0000 ( 2244 PWs) bands (ev): 6.6881 6.6881 8.4204 8.4204 8.7594 8.7594 8.8248 8.8248 9.1274 9.1274 9.3121 9.3121 9.4692 9.4692 10.7989 10.7989 10.8237 10.8237 11.3669 11.3669 11.4314 11.4314 12.0850 12.0850 12.0915 12.0915 12.5763 12.5763 12.6488 12.6488 12.9600 12.9600 13.3377 13.3377 13.4751 13.4751 13.5347 13.5347 13.7831 13.7831 13.9621 13.9621 14.0737 14.0737 19.1364 19.1364 19.6377 19.6377 21.0130 21.0130 21.1810 21.1810 k = 0.0000 0.3500-0.0000 ( 2244 PWs) bands (ev): 6.7692 6.7692 8.4502 8.4502 8.7594 8.7594 8.8395 8.8395 9.1667 9.1667 9.3600 9.3600 9.5051 9.5051 10.7665 10.7665 10.8169 10.8169 11.3242 11.3242 11.3308 11.3308 12.0525 12.0525 12.0748 12.0748 12.4898 12.4898 12.5979 12.5979 12.9668 12.9668 13.3106 13.3106 13.4535 13.4535 13.5186 13.5186 13.7623 13.7623 13.9555 13.9555 14.0721 14.0721 19.2808 19.2808 19.7962 19.7962 20.9818 20.9818 21.1696 21.1696 k = 0.0000 0.3625-0.0000 ( 2252 PWs) bands (ev): 6.8505 6.8505 8.4771 8.4771 8.7584 8.7584 8.8537 8.8537 9.2061 9.2061 9.4099 9.4099 9.5391 9.5391 10.7307 10.7307 10.8105 10.8105 11.2324 11.2324 11.2810 11.2810 12.0193 12.0193 12.0620 12.0620 12.4134 12.4134 12.5473 12.5473 12.9745 12.9745 13.2846 13.2846 13.4318 13.4318 13.5044 13.5044 13.7430 13.7430 13.9496 13.9496 14.0706 14.0706 19.4240 19.4240 19.9549 19.9549 20.9532 20.9532 21.1586 21.1586 k = 0.0000 0.3750-0.0000 ( 2252 PWs) bands (ev): 6.9315 6.9315 8.5001 8.5001 8.7570 8.7570 8.8672 8.8672 9.2451 9.2451 9.4616 9.4616 9.5708 9.5708 10.6912 10.6912 10.8040 10.8040 11.1376 11.1376 11.2387 11.2387 11.9850 11.9850 12.0527 12.0527 12.3479 12.3479 12.4976 12.4976 12.9830 12.9830 13.2601 13.2601 13.4103 13.4103 13.4918 13.4918 13.7254 13.7254 13.9442 13.9442 14.0693 14.0693 19.5656 19.5656 20.1135 20.1135 20.9276 20.9276 21.1478 21.1478 k = 0.0000 0.3875-0.0000 ( 2240 PWs) bands (ev): 7.0115 7.0115 8.5181 8.5181 8.7561 8.7561 8.8798 8.8798 9.2836 9.2836 9.5152 9.5152 9.5998 9.5998 10.6479 10.6479 10.7974 10.7974 11.0478 11.0478 11.1987 11.1987 11.9499 11.9499 12.0460 12.0460 12.2932 12.2932 12.4496 12.4496 12.9920 12.9920 13.2374 13.2374 13.3893 13.3893 13.4806 13.4806 13.7095 13.7095 13.9395 13.9395 14.0682 14.0682 19.7050 19.7050 20.2713 20.2713 20.9056 20.9056 21.1375 21.1375 k = 0.0000 0.4000-0.0000 ( 2232 PWs) bands (ev): 7.0897 7.0897 8.5299 8.5299 8.7564 8.7564 8.8915 8.8915 9.3210 9.3210 9.5706 9.5706 9.6258 9.6258 10.6001 10.6001 10.7901 10.7901 10.9647 10.9647 11.1623 11.1623 11.9144 11.9144 12.0414 12.0414 12.2490 12.2490 12.4037 12.4037 13.0014 13.0014 13.2165 13.2165 13.3688 13.3688 13.4706 13.4706 13.6952 13.6952 13.9354 13.9354 14.0672 14.0672 19.8413 19.8413 20.4267 20.4267 20.8887 20.8887 21.1274 21.1274 k = 0.0000 0.4125-0.0000 ( 2240 PWs) bands (ev): 7.1650 7.1650 8.5349 8.5349 8.7588 8.7588 8.9022 8.9022 9.3569 9.3569 9.6277 9.6277 9.6485 9.6485 10.5474 10.5474 10.7817 10.7817 10.8901 10.8901 11.1306 11.1306 11.8797 11.8797 12.0383 12.0383 12.2140 12.2140 12.3608 12.3608 13.0108 13.0108 13.1976 13.1976 13.3491 13.3491 13.4617 13.4617 13.6824 13.6824 13.9318 13.9318 14.0664 14.0664 19.9733 19.9733 20.5747 20.5747 20.8816 20.8816 21.1175 21.1175 k = 0.0000 0.4250-0.0000 ( 2240 PWs) bands (ev): 7.2362 7.2362 8.5330 8.5330 8.7633 8.7633 8.9117 8.9117 9.3907 9.3907 9.6676 9.6676 9.6864 9.6864 10.4895 10.4895 10.7721 10.7721 10.8255 10.8255 11.1044 11.1044 11.8468 11.8468 12.0362 12.0362 12.1869 12.1869 12.3214 12.3214 13.0202 13.0202 13.1808 13.1808 13.3306 13.3306 13.4540 13.4540 13.6714 13.6714 13.9288 13.9288 14.0656 14.0656 20.0996 20.0996 20.6979 20.6979 20.9019 20.9019 21.1078 21.1078 k = 0.0000 0.4375-0.0000 ( 2248 PWs) bands (ev): 7.3017 7.3017 8.5256 8.5256 8.7695 8.7695 8.9199 8.9199 9.4216 9.4216 9.6832 9.6832 9.7468 9.7468 10.4270 10.4270 10.7616 10.7616 10.7717 10.7717 11.0840 11.0840 11.8170 11.8170 12.0349 12.0349 12.1663 12.1663 12.2865 12.2865 13.0293 13.0293 13.1663 13.1663 13.3137 13.3137 13.4474 13.4474 13.6621 13.6621 13.9262 13.9262 14.0650 14.0650 20.2182 20.2182 20.7578 20.7578 20.9873 20.9873 21.0981 21.0981 k = 0.0000 0.4500-0.0000 ( 2248 PWs) bands (ev): 7.3598 7.3598 8.5144 8.5144 8.7763 8.7763 8.9268 8.9268 9.4488 9.4488 9.6953 9.6953 9.8088 9.8088 10.3607 10.3607 10.7289 10.7289 10.7507 10.7507 11.0692 11.0692 11.7915 11.7915 12.0341 12.0341 12.1509 12.1509 12.2568 12.2568 13.0377 13.0377 13.1543 13.1543 13.2987 13.2987 13.4420 13.4420 13.6544 13.6544 13.9242 13.9242 14.0645 14.0645 20.3262 20.3262 20.7701 20.7701 21.0883 21.0883 21.1217 21.1217 k = 0.0000 0.4625-0.0000 ( 2252 PWs) bands (ev): 7.4084 7.4084 8.5019 8.5019 8.7827 8.7827 8.9322 8.9322 9.4715 9.4715 9.7040 9.7040 9.8720 9.8720 10.2924 10.2924 10.6964 10.6964 10.7405 10.7405 11.0591 11.0591 11.7708 11.7708 12.0335 12.0335 12.1399 12.1399 12.2329 12.2329 13.0450 13.0450 13.1448 13.1448 13.2862 13.2862 13.4378 13.4378 13.6485 13.6485 13.9226 13.9226 14.0641 14.0641 20.4199 20.4199 20.7697 20.7697 21.0785 21.0785 21.2688 21.2688 k = 0.0000 0.4750-0.0000 ( 2248 PWs) bands (ev): 7.4453 7.4453 8.4907 8.4907 8.7879 8.7879 8.9361 8.9361 9.4887 9.4887 9.7098 9.7098 9.9359 9.9359 10.2238 10.2238 10.6736 10.6736 10.7322 10.7322 11.0529 11.0529 11.7558 11.7558 12.0331 12.0331 12.1324 12.1324 12.2154 12.2154 13.0507 13.0507 13.1380 13.1380 13.2767 13.2767 13.4348 13.4348 13.6443 13.6443 13.9215 13.9215 14.0639 14.0639 20.4940 20.4940 20.7669 20.7669 21.0695 21.0695 21.4148 21.4148 k = 0.0000 0.4875-0.0000 ( 2240 PWs) bands (ev): 7.4684 7.4684 8.4828 8.4828 8.7912 8.7912 8.9385 8.9385 9.4995 9.4995 9.7130 9.7130 9.9982 9.9982 10.1585 10.1585 10.6602 10.6602 10.7267 10.7267 11.0496 11.0496 11.7466 11.7466 12.0328 12.0328 12.1281 12.1281 12.2047 12.2047 13.0544 13.0544 13.1339 13.1339 13.2708 13.2708 13.4331 13.4331 13.6417 13.6417 13.9208 13.9208 14.0637 14.0637 20.5424 20.5424 20.7647 20.7647 21.0627 21.0627 21.5449 21.5449 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): 7.4763 7.4763 8.4800 8.4800 8.7923 8.7923 8.9393 8.9393 9.5031 9.5031 9.7140 9.7140 10.0375 10.0375 10.1181 10.1181 10.6557 10.6557 10.7248 10.7248 11.0486 11.0486 11.7435 11.7435 12.0327 12.0327 12.1267 12.1267 12.2011 12.2011 13.0557 13.0557 13.1325 13.1325 13.2687 13.2687 13.4325 13.4325 13.6409 13.6409 13.9206 13.9206 14.0637 14.0637 20.5593 20.5593 20.7639 20.7639 21.0600 21.0600 21.6098 21.6098 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): 7.4763 7.4763 8.4800 8.4800 8.7923 8.7923 8.9393 8.9393 9.5031 9.5031 9.7140 9.7140 10.0375 10.0375 10.1181 10.1181 10.6557 10.6557 10.7248 10.7248 11.0486 11.0486 11.7435 11.7435 12.0327 12.0327 12.1267 12.1267 12.2011 12.2011 13.0557 13.0557 13.1325 13.1325 13.2687 13.2687 13.4325 13.4325 13.6409 13.6409 13.9206 13.9206 14.0637 14.0637 20.5593 20.5593 20.7639 20.7639 21.0600 21.0600 21.6098 21.6098 k = 0.0125 0.5000-0.0000 ( 2240 PWs) bands (ev): 7.4779 7.4779 8.4808 8.4808 8.7934 8.7934 8.9401 8.9401 9.5028 9.5028 9.7137 9.7137 10.0363 10.0363 10.1185 10.1185 10.6538 10.6538 10.7246 10.7246 11.0501 11.0501 11.7413 11.7413 12.0350 12.0350 12.1280 12.1280 12.2013 12.2013 13.0499 13.0499 13.1367 13.1367 13.2702 13.2702 13.4331 13.4331 13.6411 13.6411 13.9184 13.9184 14.0627 14.0627 20.5289 20.5289 20.7463 20.7463 21.0695 21.0695 21.6159 21.6159 k = 0.0250 0.5000-0.0000 ( 2242 PWs) bands (ev): 7.4827 7.4827 8.4830 8.4830 8.7964 8.7964 8.9423 8.9423 9.5018 9.5018 9.7128 9.7128 10.0330 10.0330 10.1198 10.1198 10.6481 10.6481 10.7239 10.7239 11.0546 11.0546 11.7352 11.7352 12.0413 12.0413 12.1321 12.1321 12.2018 12.2018 13.0355 13.0355 13.1461 13.1461 13.2746 13.2746 13.4350 13.4350 13.6417 13.6417 13.9119 13.9119 14.0599 14.0599 20.4454 20.4454 20.6960 20.6960 21.0930 21.0930 21.6333 21.6333 k = 0.0375 0.5000-0.0000 ( 2244 PWs) bands (ev): 7.4906 7.4906 8.4868 8.4868 8.8015 8.8015 8.9460 8.9460 9.5002 9.5002 9.7112 9.7112 10.0275 10.0275 10.1219 10.1219 10.6390 10.6390 10.7227 10.7227 11.0617 11.0617 11.7258 11.7258 12.0501 12.0501 12.1394 12.1394 12.2027 12.2027 13.0167 13.0167 13.1563 13.1563 13.2821 13.2821 13.4383 13.4383 13.6429 13.6429 13.9011 13.9011 14.0552 14.0552 20.3243 20.3243 20.6175 20.6175 21.1239 21.1239 21.6590 21.6590 k = 0.0500 0.5000-0.0000 ( 2232 PWs) bands (ev): 7.5017 7.5017 8.4920 8.4920 8.8087 8.8087 8.9512 8.9512 9.4980 9.4980 9.7091 9.7091 10.0202 10.0202 10.1246 10.1246 10.6271 10.6271 10.7211 10.7211 11.0711 11.0711 11.7143 11.7143 12.0595 12.0595 12.1506 12.1506 12.2041 12.2041 12.9958 12.9958 13.1648 13.1648 13.2927 13.2927 13.4432 13.4432 13.6448 13.6448 13.8863 13.8863 14.0487 14.0487 20.1785 20.1785 20.5160 20.5160 21.1594 21.1594 21.6904 21.6904 k = 0.0625 0.5000-0.0000 ( 2232 PWs) bands (ev): 7.5159 7.5159 8.4987 8.4987 8.8178 8.8178 8.9579 8.9579 9.4951 9.4951 9.7064 9.7064 10.0111 10.0111 10.1278 10.1278 10.6130 10.6130 10.7191 10.7191 11.0820 11.0820 11.7013 11.7013 12.0681 12.0681 12.1654 12.1654 12.2063 12.2063 12.9739 12.9739 13.1706 13.1706 13.3058 13.3058 13.4499 13.4499 13.6473 13.6473 13.8677 13.8677 14.0403 14.0403 20.0165 20.0165 20.3959 20.3959 21.1994 21.1994 21.7256 21.7256 k = 0.0750 0.5000-0.0000 ( 2232 PWs) bands (ev): 7.5331 7.5331 8.5067 8.5067 8.8289 8.8289 8.9661 8.9661 9.4915 9.4915 9.7030 9.7030 10.0005 10.0005 10.1315 10.1315 10.5972 10.5972 10.7169 10.7169 11.0941 11.0941 11.6878 11.6878 12.0751 12.0751 12.1820 12.1820 12.2107 12.2107 12.9515 12.9515 13.1737 13.1737 13.3204 13.3204 13.4591 13.4591 13.6506 13.6506 13.8457 13.8457 14.0301 14.0301 19.8439 19.8439 20.2615 20.2615 21.2444 21.2444 21.7636 21.7636 k = 0.0875 0.5000-0.0000 ( 2232 PWs) bands (ev): 7.5535 7.5535 8.5161 8.5161 8.8419 8.8419 8.9756 8.9756 9.4873 9.4873 9.6992 9.6992 9.9884 9.9884 10.1357 10.1357 10.5803 10.5803 10.7143 10.7143 11.1070 11.1070 11.6740 11.6740 12.0806 12.0806 12.1941 12.1941 12.2223 12.2223 12.9291 12.9291 13.1743 13.1743 13.3353 13.3353 13.4711 13.4711 13.6548 13.6548 13.8206 13.8206 14.0183 14.0183 19.6643 19.6643 20.1161 20.1161 21.2945 21.2945 21.8040 21.8040 k = 0.1000 0.5000-0.0000 ( 2236 PWs) bands (ev): 7.5768 7.5768 8.5266 8.5266 8.8567 8.8567 8.9866 8.9866 9.4825 9.4825 9.6949 9.6949 9.9750 9.9750 10.1405 10.1405 10.5626 10.5626 10.7117 10.7117 11.1201 11.1201 11.6605 11.6605 12.0851 12.0851 12.1988 12.1988 12.2426 12.2426 12.9071 12.9071 13.1726 13.1726 13.3493 13.3493 13.4866 13.4866 13.6601 13.6601 13.7929 13.7929 14.0048 14.0048 19.4803 19.4803 19.9625 19.9625 21.3499 21.3499 21.8468 21.8468 k = 0.1125 0.5000-0.0000 ( 2228 PWs) bands (ev): 7.6031 7.6031 8.5383 8.5383 8.8734 8.8734 8.9990 8.9990 9.4770 9.4770 9.6902 9.6902 9.9603 9.9603 10.1458 10.1458 10.5447 10.5447 10.7089 10.7089 11.1335 11.1335 11.6474 11.6474 12.0888 12.0888 12.2000 12.2000 12.2663 12.2663 12.8856 12.8856 13.1687 13.1687 13.3616 13.3616 13.5060 13.5060 13.6667 13.6667 13.7634 13.7634 13.9897 13.9897 19.2938 19.2938 19.8027 19.8027 21.4103 21.4103 21.8922 21.8922 k = 0.1250 0.5000-0.0000 ( 2232 PWs) bands (ev): 7.6323 7.6323 8.5510 8.5510 8.8919 8.8919 9.0128 9.0128 9.4710 9.4710 9.6851 9.6851 9.9445 9.9445 10.1517 10.1517 10.5268 10.5268 10.7062 10.7062 11.1468 11.1468 11.6348 11.6348 12.0921 12.0921 12.1994 12.1994 12.2902 12.2902 12.8650 12.8650 13.1626 13.1626 13.3717 13.3717 13.5290 13.5290 13.6739 13.6739 13.7334 13.7334 13.9732 13.9732 19.1063 19.1063 19.6385 19.6385 21.4755 21.4755 21.9402 21.9402 k = 0.1375 0.5000-0.0000 ( 2234 PWs) bands (ev): 7.6642 7.6642 8.5646 8.5646 8.9121 8.9121 9.0279 9.0279 9.4645 9.4645 9.6798 9.6798 9.9276 9.9276 10.1582 10.1582 10.5092 10.5092 10.7036 10.7036 11.1598 11.1598 11.6227 11.6227 12.0953 12.0953 12.1972 12.1972 12.3129 12.3129 12.8457 12.8457 13.1541 13.1541 13.3794 13.3794 13.5557 13.5557 13.6767 13.6767 13.7090 13.7090 13.9553 13.9553 18.9187 18.9187 19.4712 19.4712 21.5449 21.5449 21.9910 21.9910 k = 0.1500 0.5000-0.0000 ( 2238 PWs) bands (ev): 7.6989 7.6989 8.5790 8.5790 8.9338 8.9338 9.0442 9.0442 9.4576 9.4576 9.6744 9.6744 9.9098 9.9098 10.1653 10.1653 10.4921 10.4921 10.7011 10.7011 11.1727 11.1727 11.6112 11.6112 12.0984 12.0984 12.1933 12.1933 12.3332 12.3332 12.8281 12.8281 13.1431 13.1431 13.3850 13.3850 13.5854 13.5854 13.6577 13.6577 13.7086 13.7086 13.9363 13.9363 18.7320 18.7320 19.3021 19.3021 21.6180 21.6180 22.0449 22.0449 k = 0.1625 0.5000-0.0000 ( 2234 PWs) bands (ev): 7.7362 7.7362 8.5941 8.5941 8.9571 8.9571 9.0617 9.0617 9.4504 9.4504 9.6690 9.6690 9.8913 9.8913 10.1729 10.1729 10.4757 10.4757 10.6988 10.6988 11.1853 11.1853 11.6003 11.6003 12.1015 12.1015 12.1875 12.1875 12.3502 12.3502 12.8124 12.8124 13.1292 13.1292 13.3886 13.3886 13.6177 13.6177 13.6284 13.6284 13.7220 13.7220 13.9162 13.9162 18.5470 18.5470 19.1321 19.1321 21.6941 21.6941 22.1023 22.1023 k = 0.1750 0.5000-0.0000 ( 2238 PWs) bands (ev): 7.7760 7.7760 8.6096 8.6096 8.9817 8.9817 9.0803 9.0803 9.4431 9.4431 9.6638 9.6638 9.8721 9.8721 10.1810 10.1810 10.4602 10.4602 10.6968 10.6968 11.1976 11.1976 11.5898 11.5898 12.1048 12.1048 12.1794 12.1794 12.3632 12.3632 12.7990 12.7990 13.1121 13.1121 13.3905 13.3905 13.5983 13.5983 13.6525 13.6525 13.7399 13.7399 13.8954 13.8954 18.3643 18.3643 18.9617 18.9617 21.7722 21.7722 22.1634 22.1634 k = 0.1875 0.5000-0.0000 ( 2242 PWs) bands (ev): 7.8182 7.8182 8.6254 8.6254 9.0076 9.0076 9.0999 9.0999 9.4358 9.4358 9.6588 9.6588 9.8526 9.8526 10.1894 10.1894 10.4457 10.4457 10.6951 10.6951 11.2097 11.2097 11.5797 11.5797 12.1080 12.1080 12.1688 12.1688 12.3715 12.3715 12.7879 12.7879 13.0914 13.0914 13.3907 13.3907 13.5703 13.5703 13.6890 13.6890 13.7608 13.7608 13.8745 13.8745 18.1844 18.1844 18.7917 18.7917 21.8515 21.8515 22.2288 22.2288 k = 0.2000 0.5000-0.0000 ( 2242 PWs) bands (ev): 7.8626 7.8626 8.6414 8.6414 9.0346 9.0346 9.1203 9.1203 9.4289 9.4289 9.6541 9.6541 9.8328 9.8328 10.1981 10.1981 10.4325 10.4325 10.6937 10.6937 11.2216 11.2216 11.5699 11.5699 12.1112 12.1112 12.1556 12.1556 12.3751 12.3751 12.7791 12.7791 13.0672 13.0672 13.3895 13.3895 13.5449 13.5449 13.7269 13.7269 13.7833 13.7833 13.8554 13.8554 18.0077 18.0077 18.6225 18.6225 21.9311 21.9311 22.2990 22.2990 k = 0.2125 0.5000-0.0000 ( 2238 PWs) bands (ev): 7.9091 7.9091 8.6574 8.6574 9.0625 9.0625 9.1415 9.1415 9.4225 9.4225 9.6499 9.6499 9.8130 9.8130 10.2067 10.2067 10.4206 10.4206 10.6926 10.6926 11.2335 11.2335 11.5604 11.5604 12.1140 12.1140 12.1397 12.1397 12.3741 12.3741 12.7720 12.7720 13.0394 13.0394 13.3868 13.3868 13.5227 13.5227 13.7645 13.7645 13.8002 13.8002 13.8471 13.8471 17.8348 17.8348 18.4547 18.4547 22.0101 22.0101 22.3743 22.3743 k = 0.2250 0.5000-0.0000 ( 2234 PWs) bands (ev): 7.9574 7.9574 8.6731 8.6731 9.0910 9.0910 9.1631 9.1631 9.4172 9.4172 9.6463 9.6463 9.7933 9.7933 10.2152 10.2152 10.4102 10.4102 10.6918 10.6918 11.2453 11.2453 11.5511 11.5511 12.1141 12.1141 12.1232 12.1232 12.3689 12.3689 12.7661 12.7661 13.0083 13.0083 13.3829 13.3829 13.5039 13.5039 13.7806 13.7806 13.8161 13.8161 13.8657 13.8657 17.6660 17.6660 18.2885 18.2885 22.0880 22.0880 22.4548 22.4548 k = 0.2375 0.5000-0.0000 ( 2238 PWs) bands (ev): 8.0074 8.0074 8.6884 8.6884 9.1200 9.1200 9.1848 9.1848 9.4133 9.4133 9.6434 9.6434 9.7740 9.7740 10.2233 10.2233 10.4016 10.4016 10.6913 10.6913 11.2573 11.2573 11.5420 11.5420 12.0970 12.0970 12.1201 12.1201 12.3604 12.3604 12.7603 12.7603 12.9746 12.9746 13.3779 13.3779 13.4882 13.4882 13.7630 13.7630 13.8548 13.8548 13.8998 13.8998 17.5016 17.5016 18.1242 18.1242 22.1644 22.1644 22.5404 22.5404 k = 0.2500 0.5000-0.0000 ( 2244 PWs) bands (ev): 8.0588 8.0588 8.7031 8.7031 9.1490 9.1490 9.2065 9.2065 9.4113 9.4113 9.6414 9.6414 9.7551 9.7551 10.2307 10.2307 10.3949 10.3949 10.6910 10.6910 11.2693 11.2693 11.5329 11.5329 12.0726 12.0726 12.1197 12.1197 12.3498 12.3498 12.7535 12.7535 12.9392 12.9392 13.3722 13.3722 13.4754 13.4754 13.7397 13.7397 13.8975 13.8975 13.9403 13.9403 17.3419 17.3419 17.9622 17.9622 22.2395 22.2395 22.6304 22.6304 k = 0.2625 0.5000-0.0000 ( 2236 PWs) bands (ev): 8.1114 8.1114 8.7171 8.7171 9.1775 9.1775 9.2278 9.2278 9.4117 9.4117 9.6406 9.6406 9.7370 9.7370 10.2374 10.2374 10.3903 10.3903 10.6910 10.6910 11.2817 11.2817 11.5239 11.5239 12.0453 12.0453 12.1171 12.1171 12.3384 12.3384 12.7447 12.7447 12.9034 12.9034 13.3661 13.3661 13.4649 13.4649 13.7150 13.7150 13.9417 13.9417 13.9855 13.9855 17.1872 17.1872 17.8026 17.8026 22.3134 22.3134 22.7241 22.7241 k = 0.2750 0.5000-0.0000 ( 2228 PWs) bands (ev): 8.1648 8.1648 8.7300 8.7300 9.2048 9.2048 9.2487 9.2487 9.4150 9.4150 9.6413 9.6413 9.7196 9.7196 10.2430 10.2430 10.3879 10.3879 10.6911 10.6911 11.2944 11.2944 11.5149 11.5149 12.0155 12.0155 12.1108 12.1108 12.3279 12.3279 12.7323 12.7323 12.8687 12.8687 13.3599 13.3599 13.4561 13.4561 13.6897 13.6897 13.9873 13.9873 14.0344 14.0344 17.0377 17.0377 17.6458 17.6458 22.3868 22.3868 22.8202 22.8202 k = 0.2875 0.5000-0.0000 ( 2234 PWs) bands (ev): 8.2186 8.2186 8.7419 8.7419 9.2298 9.2298 9.2694 9.2694 9.4214 9.4214 9.6439 9.6439 9.7033 9.7033 10.2478 10.2478 10.3874 10.3874 10.6912 10.6912 11.3073 11.3073 11.5058 11.5058 11.9834 11.9834 12.0997 12.0997 12.3196 12.3196 12.7149 12.7149 12.8368 12.8368 13.3535 13.3535 13.4486 13.4486 13.6642 13.6642 14.0340 14.0340 14.0867 14.0867 16.8936 16.8936 17.4918 17.4918 22.4599 22.4599 22.9179 22.9179 k = 0.3000 0.5000-0.0000 ( 2230 PWs) bands (ev): 8.2726 8.2726 8.7525 8.7525 9.2511 9.2511 9.2910 9.2910 9.4308 9.4308 9.6488 9.6488 9.6882 9.6882 10.2518 10.2518 10.3888 10.3888 10.6913 10.6913 11.3207 11.3207 11.4967 11.4967 11.9495 11.9495 12.0830 12.0830 12.3148 12.3148 12.6916 12.6916 12.8092 12.8092 13.3473 13.3473 13.4419 13.4419 13.6388 13.6388 14.0819 14.0819 14.1421 14.1421 16.7550 16.7550 17.3408 17.3408 22.5333 22.5333 23.0158 23.0158 k = 0.3125 0.5000-0.0000 ( 2230 PWs) bands (ev): 8.3263 8.3263 8.7618 8.7618 9.2680 9.2680 9.3139 9.3139 9.4423 9.4423 9.6563 9.6563 9.6749 9.6749 10.2554 10.2554 10.3916 10.3916 10.6912 10.6912 11.3345 11.3345 11.4875 11.4875 11.9140 11.9140 12.0606 12.0606 12.3136 12.3136 12.6629 12.6629 12.7858 12.7858 13.3412 13.3412 13.4359 13.4359 13.6139 13.6139 14.1307 14.1307 14.2004 14.2004 16.6221 16.6221 17.1929 17.1929 22.6073 22.6073 23.1128 23.1128 k = 0.3250 0.5000-0.0000 ( 2238 PWs) bands (ev): 8.3792 8.3792 8.7698 8.7698 9.2815 9.2815 9.3374 9.3374 9.4549 9.4549 9.6576 9.6576 9.6728 9.6728 10.2589 10.2589 10.3952 10.3952 10.6910 10.6910 11.3485 11.3485 11.4782 11.4782 11.8773 11.8773 12.0333 12.0333 12.3160 12.3160 12.6307 12.6307 12.7651 12.7651 13.3353 13.3353 13.4302 13.4302 13.5895 13.5895 14.1804 14.1804 14.2613 14.2613 16.4950 16.4950 17.0483 17.0483 22.6821 22.6821 23.2080 23.2080 k = 0.3375 0.5000-0.0000 ( 2236 PWs) bands (ev): 8.4308 8.4308 8.7765 8.7765 9.2928 9.2928 9.3605 9.3605 9.4674 9.4674 9.6473 9.6473 9.6882 9.6882 10.2626 10.2626 10.3992 10.3992 10.6904 10.6904 11.3629 11.3629 11.4688 11.4688 11.8396 11.8396 12.0020 12.0020 12.3211 12.3211 12.5969 12.5969 12.7459 12.7459 13.3295 13.3295 13.4248 13.4248 13.5660 13.5660 14.2307 14.2307 14.3250 14.3250 16.3737 16.3737 16.9070 16.9070 22.7579 22.7579 23.3001 23.3001 k = 0.3500 0.5000-0.0000 ( 2240 PWs) bands (ev): 8.4807 8.4807 8.7819 8.7819 9.3030 9.3030 9.3827 9.3827 9.4789 9.4789 9.6369 9.6369 9.7099 9.7099 10.2669 10.2669 10.4030 10.4030 10.6896 10.6896 11.3774 11.3774 11.4593 11.4593 11.8013 11.8013 11.9679 11.9679 12.3283 12.3283 12.5635 12.5635 12.7269 12.7269 13.3238 13.3238 13.4193 13.4193 13.5437 13.5437 14.2815 14.2815 14.3912 14.3912 16.2583 16.2583 16.7691 16.7691 22.8349 22.8349 23.3885 23.3885 k = 0.3625 0.5000-0.0000 ( 2236 PWs) bands (ev): 8.5282 8.5282 8.7861 8.7861 9.3126 9.3126 9.4033 9.4033 9.4889 9.4889 9.6274 9.6274 9.7366 9.7366 10.2718 10.2718 10.4060 10.4060 10.6883 10.6883 11.3920 11.3920 11.4498 11.4498 11.7628 11.7628 11.9322 11.9322 12.3368 12.3368 12.5315 12.5315 12.7077 12.7077 13.3183 13.3183 13.4138 13.4138 13.5228 13.5228 14.3326 14.3326 14.4599 14.4599 16.1487 16.1487 16.6347 16.6347 22.9130 22.9130 23.4727 23.4727 k = 0.3750 0.5000-0.0000 ( 2240 PWs) bands (ev): 8.5729 8.5729 8.7892 8.7892 9.3221 9.3221 9.4221 9.4221 9.4974 9.4974 9.6191 9.6191 9.7679 9.7679 10.2776 10.2776 10.4076 10.4076 10.6867 10.6867 11.4063 11.4063 11.4401 11.4401 11.7244 11.7244 11.8960 11.8960 12.3458 12.3458 12.5021 12.5021 12.6879 12.6879 13.3129 13.3129 13.4080 13.4080 13.5038 13.5038 14.3837 14.3837 14.5309 14.5309 16.0451 16.0451 16.5038 16.5038 22.9921 22.9921 23.5528 23.5528 k = 0.3875 0.5000-0.0000 ( 2232 PWs) bands (ev): 8.6142 8.6142 8.7915 8.7915 9.3316 9.3316 9.4389 9.4389 9.5046 9.5046 9.6119 9.6119 9.8032 9.8032 10.2841 10.2841 10.4072 10.4072 10.6850 10.6850 11.4203 11.4203 11.4307 11.4307 11.6864 11.6864 11.8604 11.8604 12.3547 12.3547 12.4763 12.4763 12.6675 12.6675 13.3076 13.3076 13.4017 13.4017 13.4870 13.4870 14.4347 14.4347 14.6043 14.6043 15.9475 15.9475 16.3764 16.3764 23.0719 23.0719 23.6292 23.6292 k = 0.4000 0.5000-0.0000 ( 2232 PWs) bands (ev): 8.6518 8.6518 8.7931 8.7931 9.3410 9.3410 9.4536 9.4536 9.5107 9.5107 9.6059 9.6059 9.8416 9.8416 10.2912 10.2912 10.4041 10.4041 10.6831 10.6831 11.4215 11.4215 11.4336 11.4336 11.6494 11.6494 11.8263 11.8263 12.3621 12.3621 12.4555 12.4555 12.6467 12.6467 13.3023 13.3023 13.3949 13.3949 13.4726 13.4726 14.4851 14.4851 14.6799 14.6799 15.8559 15.8559 16.2526 16.2526 23.1520 23.1520 23.7028 23.7028 k = 0.4125 0.5000-0.0000 ( 2232 PWs) bands (ev): 8.6851 8.6851 8.7942 8.7942 9.3503 9.3503 9.4659 9.4659 9.5161 9.5161 9.6010 9.6010 9.8826 9.8826 10.2987 10.2987 10.3977 10.3977 10.6814 10.6814 11.4129 11.4129 11.4458 11.4458 11.6137 11.6137 11.7946 11.7946 12.3664 12.3664 12.4415 12.4415 12.6256 12.6256 13.2972 13.2972 13.3875 13.3875 13.4609 13.4609 14.5347 14.5347 14.7578 14.7578 15.7707 15.7707 16.1322 16.1322 23.2319 23.2319 23.7740 23.7740 k = 0.4250 0.5000-0.0000 ( 2232 PWs) bands (ev): 8.7139 8.7139 8.7951 8.7951 9.3593 9.3593 9.4760 9.4760 9.5206 9.5206 9.5974 9.5974 9.9253 9.9253 10.3061 10.3061 10.3876 10.3876 10.6800 10.6800 11.4053 11.4053 11.4567 11.4567 11.5800 11.5800 11.7661 11.7661 12.3657 12.3657 12.4360 12.4360 12.6045 12.6045 13.2923 13.2923 13.3800 13.3800 13.4517 13.4517 14.5827 14.5827 14.8378 14.8378 15.6923 15.6923 16.0155 16.0155 23.3105 23.3105 23.8434 23.8434 k = 0.4375 0.5000-0.0000 ( 2224 PWs) bands (ev): 8.7379 8.7379 8.7960 8.7960 9.3678 9.3678 9.4837 9.4837 9.5245 9.5245 9.5949 9.5949 9.9692 9.9692 10.3129 10.3129 10.3736 10.3736 10.6790 10.6790 11.3993 11.3993 11.4655 11.4655 11.5493 11.5493 11.7413 11.7413 12.3609 12.3609 12.4382 12.4382 12.5837 12.5837 13.2877 13.2877 13.3728 13.3728 13.4448 13.4448 14.6284 14.6284 14.9201 14.9201 15.6212 15.6212 15.9022 15.9022 23.3865 23.3865 23.9109 23.9109 k = 0.4500 0.5000-0.0000 ( 2216 PWs) bands (ev): 8.7565 8.7565 8.7975 8.7975 9.3754 9.3754 9.4892 9.4892 9.5278 9.5278 9.5935 9.5935 10.0131 10.0131 10.3179 10.3179 10.3566 10.3566 10.6785 10.6785 11.3953 11.3953 11.4704 11.4704 11.5236 11.5236 11.7207 11.7207 12.3546 12.3546 12.4453 12.4453 12.5635 12.5635 13.2836 13.2836 13.3664 13.3664 13.4397 13.4397 14.6705 14.6705 15.0045 15.0045 15.5585 15.5585 15.7927 15.7927 23.4577 23.4577 23.9761 23.9761 k = 0.4625 0.5000-0.0000 ( 2212 PWs) bands (ev): 8.7695 8.7695 8.7999 8.7999 9.3818 9.3818 9.4927 9.4927 9.5304 9.5304 9.5929 9.5929 10.0557 10.0557 10.3162 10.3162 10.3416 10.3416 10.6784 10.6784 11.3938 11.3938 11.4674 11.4674 11.5076 11.5076 11.7045 11.7045 12.3490 12.3490 12.4551 12.4551 12.5442 12.5442 13.2800 13.2800 13.3610 13.3610 13.4361 13.4361 14.7072 14.7072 15.0908 15.0908 15.5056 15.5056 15.6870 15.6870 23.5210 23.5210 24.0377 24.0377 k = 0.4750 0.5000-0.0000 ( 2216 PWs) bands (ev): 8.7769 8.7769 8.8034 8.8034 9.3868 9.3868 9.4947 9.4947 9.5323 9.5323 9.5928 9.5928 10.0949 10.0949 10.2998 10.2998 10.3380 10.3380 10.6784 10.6784 11.3949 11.3949 11.4552 11.4552 11.5033 11.5033 11.6928 11.6928 12.3449 12.3449 12.4666 12.4666 12.5260 12.5260 13.2773 13.2773 13.3570 13.3570 13.4337 13.4337 14.7364 14.7364 15.1782 15.1782 15.4642 15.4642 15.5866 15.5866 23.5721 23.5721 24.0927 24.0927 k = 0.4875 0.5000-0.0000 ( 2216 PWs) bands (ev): 8.7803 8.7803 8.8066 8.8066 9.3899 9.3899 9.4957 9.4957 9.5335 9.5335 9.5929 9.5929 10.1259 10.1259 10.2795 10.2795 10.3389 10.3389 10.6786 10.6786 11.3979 11.3979 11.4425 11.4425 11.5035 11.5035 11.6858 11.6858 12.3424 12.3424 12.4794 12.4794 12.5091 12.5091 13.2755 13.2755 13.3546 13.3546 13.4323 13.4323 14.7554 14.7554 15.2638 15.2638 15.4337 15.4337 15.4973 15.4973 23.6059 23.6059 24.1348 24.1348 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): 8.7812 8.7812 8.8078 8.8078 9.3909 9.3909 9.4960 9.4960 9.5339 9.5339 9.5930 9.5930 10.1389 10.1389 10.2700 10.2700 10.3395 10.3395 10.6786 10.6786 11.3998 11.3998 11.4369 11.4369 11.5038 11.5038 11.6835 11.6835 12.3416 12.3416 12.4925 12.4925 12.4946 12.4946 13.2749 13.2749 13.3538 13.3538 13.4318 13.4318 14.7620 14.7620 15.3191 15.3191 15.4075 15.4075 15.4567 15.4567 23.6178 23.6178 24.1516 24.1516 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): 8.7812 8.7812 8.8078 8.8078 9.3909 9.3909 9.4960 9.4960 9.5339 9.5339 9.5930 9.5930 10.1389 10.1389 10.2700 10.2700 10.3395 10.3395 10.6786 10.6786 11.3998 11.3998 11.4369 11.4369 11.5038 11.5038 11.6835 11.6835 12.3416 12.3416 12.4925 12.4925 12.4946 12.4946 13.2749 13.2749 13.3538 13.3538 13.4318 13.4318 14.7620 14.7620 15.3191 15.3191 15.4075 15.4075 15.4567 15.4567 23.6178 23.6178 24.1516 24.1516 k = 0.4911 0.4911-0.0000 ( 2216 PWs) bands (ev): 8.7800 8.7800 8.8069 8.8069 9.3898 9.3898 9.4957 9.4957 9.5335 9.5335 9.5929 9.5929 10.1257 10.1257 10.2796 10.2796 10.3389 10.3389 10.6786 10.6786 11.3979 11.3979 11.4426 11.4426 11.5034 11.5034 11.6859 11.6859 12.3424 12.3424 12.4792 12.4792 12.5093 12.5093 13.2755 13.2755 13.3546 13.3546 13.4323 13.4323 14.7551 14.7551 15.2657 15.2657 15.4269 15.4269 15.5028 15.5028 23.6055 23.6055 24.1353 24.1353 k = 0.4821 0.4821-0.0000 ( 2216 PWs) bands (ev): 8.7726 8.7726 8.8077 8.8077 9.3866 9.3866 9.4943 9.4943 9.5328 9.5328 9.5926 9.5926 10.0946 10.0946 10.2990 10.2990 10.3382 10.3382 10.6790 10.6790 11.3953 11.3953 11.4562 11.4562 11.5022 11.5022 11.6930 11.6930 12.3451 12.3451 12.4659 12.4659 12.5267 12.5267 13.2773 13.2773 13.3571 13.3571 13.4337 13.4337 14.7336 14.7336 15.1932 15.1932 15.4325 15.4325 15.6064 15.6064 23.5694 23.5694 24.1010 24.1011 k = 0.4732 0.4732-0.0000 ( 2210 PWs) bands (ev): 8.7546 8.7546 8.8147 8.8147 9.3812 9.3812 9.4910 9.4910 9.5330 9.5330 9.5917 9.5917 10.0559 10.0559 10.3125 10.3125 10.3420 10.3420 10.6810 10.6810 11.3955 11.3955 11.4730 11.4730 11.5009 11.5009 11.7048 11.7048 12.3500 12.3500 12.4532 12.4532 12.5459 12.5459 13.2804 13.2804 13.3611 13.3611 13.4361 13.4361 14.6963 14.6963 15.1341 15.1341 15.4358 15.4358 15.7252 15.7252 23.5121 23.5121 24.0676 24.0676 k = 0.4643 0.4643-0.0000 ( 2218 PWs) bands (ev): 8.7270 8.7270 8.8273 8.8273 9.3738 9.3738 9.4846 9.4846 9.5350 9.5350 9.5900 9.5900 10.0144 10.0144 10.3126 10.3126 10.3519 10.3519 10.6867 10.6867 11.3998 11.3998 11.4858 11.4858 11.5049 11.5049 11.7209 11.7209 12.3576 12.3576 12.4407 12.4407 12.5669 12.5669 13.2844 13.2844 13.3665 13.3665 13.4395 13.4395 14.6435 14.6435 15.0919 15.0919 15.4395 15.4395 15.8522 15.8522 23.4384 23.4384 24.0405 24.0405 k = 0.4554 0.4554-0.0000 ( 2218 PWs) bands (ev): 8.6909 8.6909 8.8442 8.8442 9.3643 9.3643 9.4750 9.4750 9.5390 9.5390 9.5873 9.5873 9.9722 9.9722 10.3065 10.3065 10.3582 10.3582 10.6979 10.6979 11.4086 11.4086 11.4848 11.4848 11.5227 11.5227 11.7412 11.7412 12.3684 12.3684 12.4282 12.4282 12.5897 12.5897 13.2895 13.2895 13.3731 13.3731 13.4442 13.4442 14.5786 14.5786 15.0652 15.0652 15.4439 15.4439 15.9855 15.9855 23.3540 23.3540 24.0158 24.0158 k = 0.4464 0.4464-0.0000 ( 2222 PWs) bands (ev): 8.6471 8.6471 8.8648 8.8648 9.3528 9.3528 9.4626 9.4626 9.5445 9.5445 9.5834 9.5834 9.9306 9.9306 10.2981 10.2981 10.3562 10.3562 10.7156 10.7156 11.4215 11.4215 11.4784 11.4784 11.5454 11.5454 11.7651 11.7651 12.3830 12.3830 12.4155 12.4155 12.6140 12.6140 13.2955 13.2955 13.3807 13.3807 13.4501 13.4501 14.5058 14.5058 15.0500 15.0500 15.4493 15.4493 16.1242 16.1242 23.2632 23.2632 23.9730 23.9730 k = 0.4375 0.4375-0.0000 ( 2230 PWs) bands (ev): 8.5962 8.5962 8.8887 8.8887 9.3393 9.3393 9.4475 9.4475 9.5509 9.5509 9.5785 9.5785 9.8901 9.8901 10.2886 10.2886 10.3462 10.3462 10.7394 10.7394 11.4381 11.4381 11.4696 11.4696 11.5697 11.5697 11.7923 11.7923 12.4015 12.4015 12.4027 12.4027 12.6396 12.6396 13.3024 13.3024 13.3888 13.3888 13.4576 13.4576 14.4291 14.4291 15.0430 15.0430 15.4556 15.4556 16.2678 16.2678 23.1688 23.1688 23.8630 23.8630 k = 0.4286 0.4286-0.0000 ( 2228 PWs) bands (ev): 8.5387 8.5387 8.9153 8.9153 9.3238 9.3238 9.4302 9.4302 9.5564 9.5564 9.5737 9.5737 9.8514 9.8514 10.2777 10.2777 10.3307 10.3307 10.7681 10.7681 11.4577 11.4577 11.4588 11.4588 11.5950 11.5950 11.8223 11.8223 12.3898 12.3898 12.4242 12.4242 12.6665 12.6665 13.3101 13.3101 13.3974 13.3974 13.4669 13.4669 14.3513 14.3513 15.0418 15.0418 15.4627 15.4627 16.4160 16.4160 23.0721 23.0721 23.7053 23.7053 k = 0.4196 0.4196-0.0000 ( 2224 PWs) bands (ev): 8.4752 8.4752 8.9440 8.9440 9.3062 9.3062 9.4109 9.4109 9.5563 9.5563 9.5736 9.5736 9.8146 9.8146 10.2641 10.2641 10.3136 10.3136 10.8003 10.8003 11.4463 11.4463 11.4798 11.4798 11.6212 11.6212 11.8548 11.8548 12.3770 12.3770 12.4509 12.4509 12.6943 12.6943 13.3187 13.3187 13.4061 13.4061 13.4779 13.4779 14.2741 14.2741 15.0446 15.0446 15.4708 15.4708 16.5684 16.5684 22.9729 22.9729 23.5389 23.5389 k = 0.4107 0.4107-0.0000 ( 2232 PWs) bands (ev): 8.4063 8.4063 8.9741 8.9741 9.2865 9.2865 9.3898 9.3898 9.5492 9.5492 9.5794 9.5794 9.7799 9.7799 10.2457 10.2457 10.2996 10.2996 10.8348 10.8348 11.4325 11.4325 11.5036 11.5036 11.6480 11.6480 11.8891 11.8891 12.3647 12.3647 12.4814 12.4814 12.7229 12.7229 13.3279 13.3279 13.4146 13.4146 13.4907 13.4907 14.1985 14.1985 15.0507 15.0507 15.4798 15.4798 16.7248 16.7248 22.8691 22.8691 23.3760 23.3760 k = 0.4018 0.4018-0.0000 ( 2232 PWs) bands (ev): 8.3325 8.3325 9.0042 9.0042 9.2646 9.2646 9.3675 9.3675 9.5395 9.5395 9.5866 9.5866 9.7472 9.7472 10.2225 10.2225 10.2912 10.2912 10.8705 10.8705 11.4178 11.4178 11.5287 11.5287 11.6754 11.6754 11.9251 11.9251 12.3531 12.3531 12.5155 12.5155 12.7520 12.7520 13.3379 13.3379 13.4232 13.4232 13.5052 13.5052 14.1256 14.1256 15.0592 15.0592 15.4897 15.4897 16.8850 16.8850 22.7573 22.7573 23.2240 23.2240 k = 0.3929 0.3929-0.0000 ( 2232 PWs) bands (ev): 8.2545 8.2545 9.0329 9.0329 9.2406 9.2406 9.3445 9.3445 9.5289 9.5289 9.5935 9.5935 9.7167 9.7167 10.1972 10.1972 10.2875 10.2875 10.9065 10.9065 11.4029 11.4029 11.5545 11.5545 11.7033 11.7033 11.9621 11.9621 12.3429 12.3429 12.5528 12.5528 12.7816 12.7816 13.3485 13.3485 13.4318 13.4318 13.5211 13.5211 14.0556 14.0556 15.0700 15.0700 15.5004 15.5004 17.0487 17.0487 22.6328 22.6328 23.0887 23.0887 k = 0.3839 0.3839-0.0000 ( 2232 PWs) bands (ev): 8.1728 8.1728 9.0581 9.0581 9.2144 9.2144 9.3217 9.3217 9.5178 9.5178 9.5996 9.5996 9.6884 9.6884 10.1729 10.1729 10.2875 10.2875 10.9421 10.9421 11.3886 11.3886 11.5807 11.5807 11.7316 11.7316 11.9998 11.9998 12.3345 12.3345 12.5928 12.5928 12.8115 12.8115 13.3596 13.3596 13.4406 13.4406 13.5382 13.5382 13.9891 13.9891 15.0826 15.0826 15.5120 15.5120 17.2158 17.2158 22.4929 22.4929 22.9740 22.9740 k = 0.3750 0.3750-0.0000 ( 2226 PWs) bands (ev): 8.0880 8.0880 9.0769 9.0769 9.1866 9.1866 9.3000 9.3000 9.5065 9.5065 9.6044 9.6044 9.6624 9.6624 10.1520 10.1520 10.2907 10.2907 10.9764 10.9764 11.3759 11.3759 11.6070 11.6070 11.7601 11.7601 12.0375 12.0375 12.3290 12.3290 12.6351 12.6351 12.8414 12.8414 13.3712 13.3712 13.4498 13.4498 13.5562 13.5562 13.9262 13.9262 15.0969 15.0969 15.5244 15.5244 17.3858 17.3858 22.3384 22.3384 22.8798 22.8798 k = 0.3661 0.3661-0.0000 ( 2226 PWs) bands (ev): 8.0005 8.0005 9.0855 9.0855 9.1588 9.1588 9.2802 9.2802 9.4946 9.4946 9.6072 9.6072 9.6397 9.6397 10.1370 10.1370 10.2966 10.2966 11.0082 11.0082 11.3663 11.3663 11.6330 11.6330 11.7886 11.7886 12.0743 12.0743 12.3272 12.3272 12.6793 12.6793 12.8711 12.8711 13.3831 13.3831 13.4594 13.4594 13.5750 13.5750 13.8672 13.8672 15.1129 15.1129 15.5377 15.5377 17.5587 17.5587 22.1727 22.1727 22.8028 22.8028 k = 0.3571 0.3571-0.0000 ( 2238 PWs) bands (ev): 7.9109 7.9109 9.0784 9.0784 9.1350 9.1350 9.2624 9.2624 9.4811 9.4811 9.6022 9.6022 9.6263 9.6263 10.1301 10.1301 10.3050 10.3050 11.0362 11.0362 11.3614 11.3614 11.6586 11.6586 11.8169 11.8169 12.1093 12.1093 12.3308 12.3308 12.7249 12.7249 12.9005 12.9005 13.3952 13.3952 13.4695 13.4695 13.5943 13.5943 13.8124 13.8124 15.1303 15.1303 15.5517 15.5517 17.7341 17.7341 21.9997 21.9997 22.7398 22.7398 k = 0.3482 0.3482-0.0000 ( 2238 PWs) bands (ev): 7.8195 7.8195 9.0538 9.0538 9.1174 9.1174 9.2459 9.2459 9.4649 9.4649 9.5841 9.5841 9.6270 9.6270 10.1335 10.1335 10.3158 10.3158 11.0589 11.0589 11.3632 11.3632 11.6834 11.6834 11.8449 11.8449 12.1413 12.1413 12.3410 12.3410 12.7715 12.7715 12.9294 12.9294 13.4075 13.4075 13.4803 13.4803 13.6140 13.6140 13.7622 13.7622 15.1492 15.1492 15.5665 15.5665 17.9116 17.9116 21.8222 21.8222 22.6881 22.6881 k = 0.3393 0.3393-0.0000 ( 2244 PWs) bands (ev): 7.7270 7.7270 9.0186 9.0186 9.1008 9.1008 9.2294 9.2294 9.4454 9.4454 9.5612 9.5612 9.6323 9.6323 10.1488 10.1488 10.3289 10.3289 11.0751 11.0751 11.3729 11.3729 11.7071 11.7071 11.8725 11.8725 12.1696 12.1696 12.3592 12.3592 12.8187 12.8187 12.9575 12.9575 13.4197 13.4197 13.4919 13.4919 13.6340 13.6340 13.7170 13.7170 15.1695 15.1695 15.5820 15.5820 18.0909 18.0909 21.6423 21.6423 22.6459 22.6459 k = 0.3304 0.3304-0.0000 ( 2248 PWs) bands (ev): 7.6335 7.6335 8.9785 8.9785 9.0823 9.0823 9.2117 9.2117 9.4226 9.4226 9.5355 9.5355 9.6377 9.6377 10.1770 10.1770 10.3442 10.3442 11.0848 11.0848 11.3910 11.3910 11.7294 11.7294 11.8996 11.8996 12.1946 12.1946 12.3854 12.3854 12.8659 12.8659 12.9847 12.9847 13.4317 13.4317 13.5040 13.5040 13.6537 13.6537 13.6777 13.6777 15.1911 15.1911 15.5983 15.5983 18.2715 18.2715 21.4611 21.4611 22.6123 22.6123 k = 0.3214 0.3214-0.0000 ( 2248 PWs) bands (ev): 7.5395 7.5395 8.9355 8.9355 9.0616 9.0616 9.1922 9.1922 9.3971 9.3971 9.5071 9.5071 9.6411 9.6411 10.2177 10.2177 10.3619 10.3619 11.0890 11.0890 11.4166 11.4166 11.7502 11.7502 11.9265 11.9265 12.2177 12.2177 12.4184 12.4184 12.9124 12.9124 13.0110 13.0110 13.4434 13.4434 13.5163 13.5163 13.6429 13.6429 13.6753 13.6753 15.2141 15.2141 15.6152 15.6152 18.4530 18.4530 21.2798 21.2798 22.5866 22.5866 k = 0.3125 0.3125-0.0000 ( 2244 PWs) bands (ev): 7.4453 7.4453 8.8907 8.8907 9.0396 9.0396 9.1710 9.1710 9.3696 9.3696 9.4762 9.4762 9.6407 9.6407 10.2695 10.2695 10.3829 10.3829 11.0894 11.0894 11.4480 11.4480 11.7693 11.7693 11.9532 11.9532 12.2410 12.2410 12.4564 12.4564 12.9573 12.9573 13.0365 13.0365 13.4547 13.4547 13.5278 13.5278 13.6179 13.6179 13.6952 13.6952 15.2383 15.2383 15.6328 15.6328 18.6346 18.6346 21.0989 21.0989 22.5684 22.5684 k = 0.3036 0.3036-0.0000 ( 2248 PWs) bands (ev): 7.3513 7.3513 8.8447 8.8447 9.0167 9.0167 9.1483 9.1483 9.3404 9.3404 9.4434 9.4434 9.6358 9.6358 10.3280 10.3280 10.4100 10.4100 11.0875 11.0875 11.4832 11.4832 11.7868 11.7868 11.9800 11.9800 12.2657 12.2657 12.4980 12.4980 12.9986 12.9986 13.0625 13.0625 13.4653 13.4653 13.5361 13.5361 13.6035 13.6035 13.7153 13.7153 15.2638 15.2638 15.6510 15.6510 18.8157 18.8157 20.9191 20.9191 22.5575 22.5575 k = 0.2946 0.2946-0.0000 ( 2246 PWs) bands (ev): 7.2576 7.2576 8.7977 8.7977 8.9932 8.9932 9.1243 9.1243 9.3100 9.3100 9.4092 9.4092 9.6260 9.6260 10.3816 10.3816 10.4533 10.4533 11.0848 11.0848 11.5205 11.5205 11.8033 11.8033 12.0073 12.0073 12.2930 12.2930 12.5418 12.5418 13.0330 13.0330 13.0917 13.0917 13.4753 13.4753 13.5392 13.5392 13.6027 13.6027 13.7353 13.7353 15.2905 15.2905 15.6698 15.6698 18.9951 18.9951 20.7414 20.7414 22.5541 22.5541 k = 0.2857 0.2857-0.0000 ( 2246 PWs) bands (ev): 7.1646 7.1646 8.7502 8.7502 8.9695 8.9695 9.0994 9.0994 9.2785 9.2785 9.3744 9.3744 9.6112 9.6112 10.4190 10.4190 10.5227 10.5227 11.0818 11.0818 11.5581 11.5581 11.8199 11.8199 12.0352 12.0352 12.3231 12.3231 12.5871 12.5871 13.0577 13.0577 13.1261 13.1261 13.4847 13.4847 13.5400 13.5400 13.6128 13.6128 13.7552 13.7552 15.3183 15.3183 15.6891 15.6891 19.1712 19.1712 20.5668 20.5668 22.5580 22.5580 k = 0.2768 0.2768-0.0000 ( 2246 PWs) bands (ev): 7.0725 7.0725 8.7023 8.7023 8.9458 8.9458 9.0738 9.0738 9.2462 9.2462 9.3393 9.3393 9.5917 9.5917 10.4480 10.4480 10.6088 10.6088 11.0791 11.0791 11.5941 11.5941 11.8382 11.8382 12.0638 12.0638 12.3561 12.3561 12.6331 12.6331 13.0743 13.0743 13.1639 13.1639 13.4943 13.4943 13.5432 13.5432 13.6286 13.6286 13.7748 13.7748 15.3473 15.3473 15.7090 15.7090 19.3409 19.3409 20.3977 20.3977 22.5697 22.5697 k = 0.2679 0.2679-0.0000 ( 2242 PWs) bands (ev): 6.9815 6.9815 8.6544 8.6544 8.9222 8.9222 9.0478 9.0478 9.2130 9.2130 9.3045 9.3045 9.5680 9.5680 10.4749 10.4749 10.7040 10.7040 11.0768 11.0768 11.6263 11.6263 11.8605 11.8605 12.0933 12.0933 12.3916 12.3916 12.6795 12.6795 13.0857 13.0857 13.2021 13.2021 13.5054 13.5054 13.5503 13.5503 13.6473 13.6473 13.7942 13.7942 15.3773 15.3773 15.7293 15.7293 19.4975 19.4975 20.2406 20.2406 22.5894 22.5894 k = 0.2589 0.2589-0.0000 ( 2241 PWs) bands (ev): 6.8918 6.8918 8.6065 8.6065 8.8988 8.8988 9.0215 9.0215 9.1792 9.1792 9.2704 9.2704 9.5403 9.5403 10.5017 10.5017 10.8055 10.8055 11.0749 11.0749 11.6531 11.6531 11.8887 11.8887 12.1233 12.1233 12.4292 12.4292 12.7259 12.7259 13.0940 13.0940 13.2392 13.2392 13.5191 13.5191 13.5610 13.5610 13.6678 13.6678 13.8134 13.8134 15.4083 15.4083 15.7501 15.7501 19.6196 19.6196 20.1155 20.1155 22.6175 22.6175 k = 0.2500 0.2500-0.0000 ( 2241 PWs) bands (ev): 6.8037 6.8037 8.5589 8.5589 8.8757 8.8757 8.9952 8.9952 9.1448 9.1448 9.2372 9.2372 9.5092 9.5092 10.5287 10.5287 10.9117 10.9117 11.0733 11.0733 11.6737 11.6737 11.9240 11.9240 12.1540 12.1540 12.4684 12.4684 12.7719 12.7719 13.1010 13.1010 13.2741 13.2741 13.5352 13.5352 13.5752 13.5752 13.6895 13.6895 13.8322 13.8322 15.4403 15.4403 15.7713 15.7713 19.6481 19.6481 20.0809 20.0809 22.6544 22.6544 k = 0.2411 0.2411-0.0000 ( 2241 PWs) bands (ev): 6.7172 6.7172 8.5117 8.5117 8.8530 8.8530 8.9689 8.9689 9.1100 9.1100 9.2051 9.2051 9.4753 9.4753 10.5559 10.5559 11.0213 11.0213 11.0718 11.0718 11.6886 11.6886 11.9660 11.9660 12.1851 12.1851 12.5087 12.5087 12.8170 12.8170 13.1083 13.1083 13.3065 13.3065 13.5527 13.5527 13.5935 13.5935 13.7121 13.7121 13.8508 13.8508 15.4731 15.4731 15.7928 15.7928 19.5582 19.5582 20.1605 20.1605 22.7006 22.7006 k = 0.2321 0.2321-0.0000 ( 2241 PWs) bands (ev): 6.6326 6.6326 8.4652 8.4652 8.8307 8.8307 8.9427 8.9427 9.0749 9.0749 9.1742 9.1742 9.4391 9.4391 10.5835 10.5835 11.0702 11.0702 11.1333 11.1333 11.6998 11.6998 12.0137 12.0137 12.2166 12.2166 12.5495 12.5495 12.8610 12.8610 13.1174 13.1174 13.3362 13.3362 13.5700 13.5700 13.6168 13.6168 13.7354 13.7354 13.8691 13.8691 15.5068 15.5068 15.8147 15.8147 19.4169 19.4169 20.2862 20.2862 22.7567 22.7567 k = 0.2232 0.2232-0.0000 ( 2237 PWs) bands (ev): 6.5501 6.5501 8.4194 8.4194 8.8090 8.8090 8.9168 8.9168 9.0397 9.0397 9.1444 9.1444 9.4010 9.4010 10.6110 10.6110 11.0685 11.0685 11.2461 11.2461 11.7094 11.7094 12.0654 12.0654 12.2485 12.2485 12.5900 12.5900 12.9031 12.9031 13.1300 13.1300 13.3635 13.3635 13.5864 13.5864 13.6448 13.6448 13.7594 13.7594 13.8871 13.8871 15.5411 15.5411 15.8368 15.8368 19.2606 19.2606 20.4207 20.4207 22.8229 22.8229 k = 0.2143 0.2143-0.0000 ( 2239 PWs) bands (ev): 6.4697 6.4697 8.3745 8.3745 8.7877 8.7877 8.8913 8.8913 9.0048 9.0048 9.1159 9.1159 9.3616 9.3616 10.6385 10.6385 11.0664 11.0664 11.3570 11.3570 11.7206 11.7206 12.1196 12.1196 12.2809 12.2809 12.6298 12.6298 12.9430 12.9430 13.1474 13.1474 13.3883 13.3883 13.6020 13.6020 13.6765 13.6765 13.7838 13.7838 13.9048 13.9048 15.5761 15.5761 15.8593 15.8593 19.0997 19.0997 20.5526 20.5526 22.8994 22.8994 k = 0.2054 0.2054-0.0000 ( 2243 PWs) bands (ev): 6.3917 6.3917 8.3306 8.3306 8.7670 8.7670 8.8661 8.8661 8.9702 8.9702 9.0885 9.0885 9.3215 9.3215 10.6657 10.6657 11.0640 11.0640 11.4607 11.4607 11.7390 11.7390 12.1750 12.1750 12.3141 12.3141 12.6682 12.6682 12.9802 12.9802 13.1708 13.1708 13.4110 13.4110 13.6172 13.6172 13.7108 13.7108 13.8087 13.8087 13.9223 13.9223 15.6117 15.6117 15.8820 15.8820 18.9377 18.9377 20.6776 20.6776 22.9854 22.9854 k = 0.1964 0.1964-0.0000 ( 2243 PWs) bands (ev): 6.3161 6.3161 8.2878 8.2878 8.7470 8.7470 8.8413 8.8413 8.9361 8.9361 9.0622 9.0622 9.2809 9.2809 10.6925 10.6925 11.0611 11.0611 11.5458 11.5458 11.7760 11.7760 12.2299 12.2299 12.3487 12.3487 12.7053 12.7053 13.0149 13.0149 13.2005 13.2005 13.4319 13.4319 13.6323 13.6323 13.7467 13.7467 13.8340 13.8340 13.9395 13.9395 15.6476 15.6476 15.9049 15.9049 18.7761 18.7761 20.7936 20.7936 23.0792 23.0792 k = 0.1875 0.1875-0.0000 ( 2243 PWs) bands (ev): 6.2430 6.2430 8.2462 8.2462 8.7276 8.7276 8.8171 8.8171 8.9028 8.9028 9.0371 9.0371 9.2404 9.2404 10.7186 10.7186 11.0578 11.0578 11.5994 11.5994 11.8444 11.8444 12.2822 12.2822 12.3857 12.3857 12.7411 12.7411 13.0476 13.0476 13.2361 13.2361 13.4511 13.4511 13.6474 13.6474 13.7837 13.7837 13.8597 13.8597 13.9564 13.9564 15.6837 15.6837 15.9281 15.9281 18.6159 18.6159 20.8995 20.8995 23.1744 23.1744 k = 0.1786 0.1786-0.0000 ( 2241 PWs) bands (ev): 6.1727 6.1727 8.2059 8.2059 8.7088 8.7088 8.7935 8.7935 8.8703 8.8703 9.0131 9.0131 9.2002 9.2002 10.7439 10.7439 11.0539 11.0539 11.6252 11.6252 11.9395 11.9395 12.3298 12.3298 12.4262 12.4262 12.7765 12.7765 13.0790 13.0790 13.2765 13.2765 13.4689 13.4689 13.6625 13.6625 13.8213 13.8213 13.8857 13.8857 13.9732 13.9732 15.7197 15.7197 15.9517 15.9517 18.4575 18.4575 20.9952 20.9952 23.2364 23.2364 k = 0.1696 0.1696-0.0000 ( 2237 PWs) bands (ev): 6.1051 6.1051 8.1671 8.1671 8.6908 8.6908 8.7704 8.7704 8.8388 8.8388 8.9902 8.9902 9.1609 9.1609 10.7683 10.7683 11.0497 11.0497 11.6369 11.6369 12.0470 12.0470 12.3715 12.3715 12.4706 12.4706 12.8128 12.8128 13.1097 13.1097 13.3204 13.3204 13.4855 13.4855 13.6777 13.6777 13.8591 13.8591 13.9121 13.9121 13.9899 13.9899 15.7555 15.7555 15.9756 15.9756 18.3013 18.3013 21.0805 21.0805 23.1734 23.1734 k = 0.1607 0.1607-0.0000 ( 2237 PWs) bands (ev): 6.0404 6.0404 8.1297 8.1297 8.6735 8.6735 8.7479 8.7479 8.8083 8.8083 8.9684 8.9684 9.1226 9.1226 10.7915 10.7915 11.0451 11.0451 11.6424 11.6424 12.1575 12.1575 12.4076 12.4076 12.5174 12.5174 12.8516 12.8516 13.1399 13.1399 13.3667 13.3667 13.5009 13.5009 13.6928 13.6928 13.8969 13.8969 13.9386 13.9386 14.0065 14.0065 15.7907 15.7907 15.9999 15.9999 18.1478 18.1478 21.1559 21.1559 23.0587 23.0587 k = 0.1518 0.1518-0.0000 ( 2233 PWs) bands (ev): 5.9787 5.9787 8.0940 8.0940 8.6570 8.6570 8.7262 8.7262 8.7790 8.7790 8.9477 8.9477 9.0856 9.0856 10.8135 10.8135 11.0402 11.0402 11.6451 11.6451 12.2654 12.2654 12.4398 12.4398 12.5656 12.5656 12.8947 12.8947 13.1695 13.1695 13.4143 13.4143 13.5154 13.5154 13.7079 13.7079 13.9346 13.9346 13.9656 13.9656 14.0232 14.0232 15.8250 15.8250 16.0249 16.0249 17.9972 17.9972 21.2218 21.2218 22.9342 22.9342 k = 0.1429 0.1429-0.0000 ( 2239 PWs) bands (ev): 5.9201 5.9201 8.0598 8.0598 8.6413 8.6413 8.7051 8.7051 8.7508 8.7508 8.9281 8.9281 9.0501 9.0501 10.8341 10.8341 11.0351 11.0351 11.6464 11.6464 12.3650 12.3650 12.4698 12.4698 12.6157 12.6157 12.9431 12.9431 13.1983 13.1983 13.4621 13.4621 13.5292 13.5292 13.7229 13.7229 13.9718 13.9718 13.9928 13.9928 14.0398 14.0398 15.8578 15.8578 16.0504 16.0504 17.8499 17.8499 21.2790 21.2790 22.8062 22.8062 k = 0.1339 0.1339-0.0000 ( 2231 PWs) bands (ev): 5.8646 5.8646 8.0274 8.0274 8.6263 8.6263 8.6848 8.6848 8.7240 8.7240 8.9096 8.9096 9.0165 9.0165 10.8534 10.8534 11.0299 11.0299 11.6471 11.6471 12.4475 12.4475 12.5001 12.5001 12.6721 12.6721 12.9974 12.9974 13.2261 13.2261 13.5087 13.5087 13.5431 13.5431 13.7379 13.7379 14.0083 14.0083 14.0208 14.0208 14.0568 14.0568 15.8888 15.8888 16.0767 16.0767 17.7065 17.7065 21.3280 21.3280 22.6768 22.6768 k = 0.1250 0.1250-0.0000 ( 2225 PWs) bands (ev): 5.8124 5.8124 7.9968 7.9968 8.6123 8.6123 8.6654 8.6654 8.6985 8.6985 8.8923 8.8923 8.9848 8.9848 10.8712 10.8712 11.0246 11.0246 11.6475 11.6475 12.5008 12.5008 12.5367 12.5367 12.7402 12.7402 13.0568 13.0568 13.2525 13.2525 13.5454 13.5454 13.5651 13.5651 13.7529 13.7529 14.0426 14.0426 14.0506 14.0506 14.0743 14.0743 15.9175 15.9175 16.1036 16.1036 17.5674 17.5674 21.3692 21.3692 22.5474 22.5474 k = 0.1161 0.1161-0.0000 ( 2227 PWs) bands (ev): 5.7635 5.7635 7.9681 7.9681 8.5990 8.5990 8.6468 8.6468 8.6744 8.6744 8.8760 8.8760 8.9551 8.9551 10.8875 10.8875 11.0193 11.0193 11.6480 11.6480 12.5310 12.5310 12.5736 12.5736 12.8196 12.8196 13.1201 13.1201 13.2774 13.2774 13.5609 13.5609 13.6057 13.6057 13.7678 13.7678 14.0731 14.0731 14.0828 14.0828 14.0935 14.0935 15.9437 15.9437 16.1307 16.1307 17.4333 17.4333 21.4031 21.4031 22.4194 22.4194 k = 0.1071 0.1071-0.0000 ( 2235 PWs) bands (ev): 5.7179 5.7179 7.9412 7.9412 8.5867 8.5867 8.6292 8.6292 8.6517 8.6517 8.8610 8.8610 8.9276 8.9276 10.9023 10.9023 11.0140 11.0140 11.6484 11.6484 12.5541 12.5541 12.6011 12.6011 12.9042 12.9042 13.1856 13.1856 13.3007 13.3007 13.5720 13.5720 13.6479 13.6479 13.7827 13.7827 14.1017 14.1017 14.1078 14.1078 14.1219 14.1219 15.9672 15.9672 16.1574 16.1574 17.3053 17.3053 21.4300 21.4300 22.2939 22.2939 k = 0.0982 0.0982-0.0000 ( 2229 PWs) bands (ev): 5.6758 5.6758 7.9163 7.9163 8.5752 8.5752 8.6126 8.6126 8.6306 8.6306 8.8471 8.8471 8.9024 8.9024 10.9156 10.9156 11.0090 11.0090 11.6491 11.6491 12.5743 12.5743 12.6208 12.6208 12.9883 12.9883 13.2514 13.2514 13.3227 13.3227 13.5818 13.5818 13.6881 13.6881 13.7975 13.7975 14.1261 14.1261 14.1321 14.1321 14.1558 14.1558 15.9880 15.9880 16.1826 16.1826 17.1844 17.1844 21.4501 21.4501 22.1721 22.1721 k = 0.0893 0.0893-0.0000 ( 2227 PWs) bands (ev): 5.6371 5.6371 7.8934 7.8934 8.5647 8.5647 8.5971 8.5971 8.6110 8.6110 8.8343 8.8343 8.8795 8.8795 10.9274 10.9274 11.0041 11.0041 11.6499 11.6499 12.5924 12.5924 12.6352 12.6352 13.0684 13.0684 13.3138 13.3138 13.3448 13.3448 13.5908 13.5908 13.7254 13.7254 13.8124 13.8124 14.1463 14.1463 14.1611 14.1611 14.1896 14.1896 16.0061 16.0061 16.2046 16.2046 17.0723 17.0723 21.4637 21.4637 22.0552 22.0552 k = 0.0804 0.0804-0.0000 ( 2227 PWs) bands (ev): 5.6020 5.6020 7.8725 7.8725 8.5551 8.5551 8.5828 8.5828 8.5930 8.5930 8.8228 8.8228 8.8589 8.8589 10.9379 10.9379 10.9996 10.9996 11.6508 11.6508 12.6088 12.6088 12.6461 12.6461 13.1427 13.1427 13.3537 13.3537 13.3843 13.3843 13.5990 13.5990 13.7597 13.7597 13.8272 13.8272 14.1668 14.1668 14.1908 14.1908 14.2225 14.2225 16.0217 16.0217 16.2214 16.2214 16.9713 16.9713 21.4709 21.4709 21.9444 21.9444 k = 0.0714 0.0714-0.0000 ( 2227 PWs) bands (ev): 5.5705 5.5705 7.8538 7.8538 8.5465 8.5465 8.5698 8.5698 8.5767 8.5767 8.8124 8.8124 8.8406 8.8406 10.9469 10.9469 10.9954 10.9954 11.6519 11.6519 12.6234 12.6234 12.6546 12.6546 13.2100 13.2100 13.3722 13.3722 13.4384 13.4384 13.6065 13.6065 13.7907 13.7907 13.8417 13.8417 14.1877 14.1877 14.2211 14.2211 14.2542 14.2542 16.0350 16.0350 16.2304 16.2304 16.8839 16.8839 21.4721 21.4721 21.8408 21.8408 k = 0.0625 0.0625-0.0000 ( 2237 PWs) bands (ev): 5.5425 5.5425 7.8371 7.8371 8.5388 8.5388 8.5582 8.5582 8.5621 8.5621 8.8033 8.8033 8.8245 8.8245 10.9547 10.9547 10.9915 10.9915 11.6530 11.6530 12.6363 12.6363 12.6612 12.6612 13.2695 13.2695 13.3872 13.3872 13.4879 13.4879 13.6132 13.6132 13.8184 13.8184 13.8557 13.8557 14.2085 14.2085 14.2517 14.2517 14.2841 14.2841 16.0462 16.0462 16.2289 16.2289 16.8132 16.8132 21.4681 21.4681 21.7457 21.7457 k = 0.0536 0.0536-0.0000 ( 2241 PWs) bands (ev): 5.5182 5.5182 7.8226 7.8226 8.5321 8.5321 8.5479 8.5479 8.5493 8.5493 8.7953 8.7953 8.8107 8.8107 10.9612 10.9612 10.9881 10.9881 11.6541 11.6541 12.6475 12.6475 12.6664 12.6664 13.3207 13.3207 13.4006 13.4006 13.5303 13.5303 13.6192 13.6192 13.8426 13.8426 13.8689 13.8689 14.2288 14.2288 14.2824 14.2824 14.3120 14.3120 16.0554 16.0554 16.2155 16.2155 16.7610 16.7610 21.4600 21.4600 21.6603 21.6603 k = 0.0446 0.0446-0.0000 ( 2239 PWs) bands (ev): 5.4977 5.4977 7.8103 7.8103 8.5264 8.5264 8.5383 8.5383 8.5392 8.5392 8.7885 8.7885 8.7992 8.7992 10.9666 10.9666 10.9852 10.9852 11.6552 11.6552 12.6570 12.6570 12.6704 12.6704 13.3621 13.3621 13.4137 13.4137 13.5652 13.5652 13.6245 13.6245 13.8633 13.8633 13.8810 13.8810 14.2476 14.2476 14.3125 14.3125 14.3372 14.3372 16.0628 16.0628 16.1912 16.1912 16.7269 16.7269 21.4491 21.4491 21.5857 21.5857 k = 0.0357 0.0357-0.0000 ( 2245 PWs) bands (ev): 5.4808 5.4808 7.8002 7.8002 8.5216 8.5216 8.5292 8.5292 8.5320 8.5320 8.7830 8.7830 8.7897 8.7897 10.9709 10.9709 10.9828 10.9828 11.6561 11.6561 12.6648 12.6648 12.6736 12.6736 13.3913 13.3913 13.4290 13.4290 13.5925 13.5925 13.6291 13.6291 13.8803 13.8803 13.8913 13.8913 14.2641 14.2641 14.3408 14.3408 14.3592 14.3592 16.0686 16.0686 16.1604 16.1604 16.7075 16.7075 21.4370 21.4370 21.5230 21.5230 k = 0.0268 0.0268-0.0000 ( 2245 PWs) bands (ev): 5.4676 5.4676 7.7923 7.7923 8.5179 8.5179 8.5222 8.5222 8.5264 8.5264 8.7787 8.7787 8.7825 8.7825 10.9742 10.9742 10.9808 10.9808 11.6570 11.6570 12.6709 12.6709 12.6759 12.6759 13.4076 13.4076 13.4472 13.4472 13.6130 13.6130 13.6328 13.6328 13.8937 13.8937 13.8998 13.8998 14.2776 14.2776 14.3656 14.3656 14.3772 14.3772 16.0730 16.0730 16.1289 16.1289 16.6981 16.6981 21.4254 21.4254 21.4731 21.4731 k = 0.0179 0.0179-0.0000 ( 2243 PWs) bands (ev): 5.4582 5.4582 7.7867 7.7867 8.5152 8.5152 8.5171 8.5171 8.5224 8.5224 8.7756 8.7756 8.7773 8.7773 10.9765 10.9765 10.9794 10.9794 11.6576 11.6576 12.6753 12.6753 12.6775 12.6775 13.4158 13.4158 13.4635 13.4635 13.6270 13.6270 13.6356 13.6356 13.9033 13.9033 13.9059 13.9059 14.2876 14.2876 14.3851 14.3851 14.3907 14.3907 16.0760 16.0760 16.1022 16.1022 16.6944 16.6944 21.4159 21.4159 21.4369 21.4369 k = 0.0089 0.0089-0.0000 ( 2235 PWs) bands (ev): 5.4526 5.4526 7.7833 7.7833 8.5136 8.5136 8.5140 8.5140 8.5201 8.5201 8.7738 8.7738 8.7742 8.7742 10.9779 10.9779 10.9786 10.9786 11.6580 11.6580 12.6779 12.6779 12.6785 12.6785 13.4199 13.4199 13.4740 13.4740 13.6353 13.6353 13.6374 13.6374 13.9090 13.9090 13.9098 13.9098 14.2938 14.2938 14.3976 14.3976 14.3991 14.3991 16.0777 16.0777 16.0845 16.0845 16.6933 16.6933 21.4097 21.4097 21.4149 21.4149 k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): 5.4507 5.4507 7.7822 7.7822 8.5130 8.5130 8.5130 8.5130 8.5193 8.5193 8.7732 8.7732 8.7732 8.7732 10.9784 10.9784 10.9784 10.9784 11.6581 11.6581 12.6788 12.6788 12.6788 12.6788 13.4212 13.4212 13.4776 13.4776 13.6381 13.6381 13.6381 13.6381 13.9111 13.9111 13.9111 13.9111 14.2960 14.2960 14.4020 14.4020 14.4020 14.4020 16.0783 16.0783 16.0783 16.0783 16.6932 16.6932 21.4076 21.4076 21.4076 21.4076 k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): 5.4507 5.4507 7.7822 7.7822 8.5130 8.5130 8.5130 8.5130 8.5193 8.5193 8.7732 8.7732 8.7732 8.7732 10.9784 10.9784 10.9784 10.9784 11.6581 11.6581 12.6788 12.6788 12.6788 12.6788 13.4212 13.4212 13.4776 13.4776 13.6381 13.6381 13.6381 13.6381 13.9111 13.9111 13.9111 13.9111 14.2960 14.2960 14.4020 14.4020 14.4020 14.4020 16.0783 16.0783 16.0783 16.0783 16.6932 16.6932 21.4076 21.4076 21.4076 21.4076 k = 0.0072 0.0072 0.0072 ( 2229 PWs) bands (ev): 5.4525 5.4525 7.7833 7.7833 8.5135 8.5135 8.5140 8.5140 8.5201 8.5201 8.7738 8.7738 8.7742 8.7742 10.9778 10.9778 10.9787 10.9787 11.6580 11.6580 12.6781 12.6781 12.6783 12.6783 13.4199 13.4199 13.4740 13.4740 13.6352 13.6352 13.6375 13.6375 13.9090 13.9090 13.9099 13.9099 14.2938 14.2938 14.3975 14.3975 14.3992 14.3992 16.0803 16.0803 16.0819 16.0819 16.6933 16.6933 21.4122 21.4122 21.4123 21.4123 k = 0.0145 0.0145 0.0145 ( 2247 PWs) bands (ev): 5.4581 5.4581 7.7866 7.7866 8.5150 8.5150 8.5172 8.5172 8.5224 8.5224 8.7758 8.7758 8.7771 8.7771 10.9763 10.9763 10.9796 10.9796 11.6576 11.6576 12.6759 12.6759 12.6769 12.6769 13.4157 13.4157 13.4638 13.4638 13.6269 13.6269 13.6359 13.6359 13.9032 13.9032 13.9061 13.9061 14.2877 14.2877 14.3847 14.3847 14.3912 14.3912 16.0861 16.0861 16.0926 16.0926 16.6936 16.6936 21.4262 21.4262 21.4265 21.4265 k = 0.0217 0.0217 0.0217 ( 2247 PWs) bands (ev): 5.4674 5.4674 7.7922 7.7922 8.5176 8.5176 8.5224 8.5224 8.5263 8.5263 8.7790 8.7790 8.7820 8.7820 10.9738 10.9738 10.9812 10.9812 11.6570 11.6570 12.6724 12.6724 12.6745 12.6745 13.4072 13.4072 13.4483 13.4483 13.6126 13.6126 13.6333 13.6333 13.8935 13.8935 13.9002 13.9002 14.2779 14.2779 14.3646 14.3646 14.3782 14.3782 16.0955 16.0955 16.1098 16.1098 16.6941 16.6941 21.4494 21.4494 21.4501 21.4501 k = 0.0290 0.0290 0.0290 ( 2253 PWs) bands (ev): 5.4804 5.4804 7.8000 7.8000 8.5211 8.5211 8.5297 8.5297 8.5317 8.5317 8.7835 8.7835 8.7890 8.7890 10.9701 10.9701 10.9835 10.9835 11.6562 11.6562 12.6675 12.6675 12.6711 12.6711 13.3905 13.3905 13.4315 13.4315 13.5919 13.5919 13.6297 13.6297 13.8800 13.8800 13.8920 13.8920 14.2647 14.2647 14.3386 14.3386 14.3605 14.3605 16.1082 16.1082 16.1324 16.1324 16.6947 16.6947 21.4815 21.4815 21.4827 21.4827 k = 0.0362 0.0362 0.0362 ( 2247 PWs) bands (ev): 5.4971 5.4971 7.8100 7.8100 8.5256 8.5256 8.5386 8.5386 8.5390 8.5390 8.7893 8.7893 8.7979 8.7979 10.9654 10.9654 10.9863 10.9863 11.6553 11.6553 12.6611 12.6611 12.6667 12.6667 13.3618 13.3618 13.4173 13.4173 13.5642 13.5642 13.6251 13.6251 13.8627 13.8627 13.8818 13.8818 14.2486 14.2486 14.3087 14.3087 14.3387 14.3387 16.1237 16.1237 16.1595 16.1595 16.6954 16.6954 21.5224 21.5224 21.5241 21.5241 k = 0.0435 0.0435 0.0435 ( 2244 PWs) bands (ev): 5.5174 5.5174 7.8222 7.8222 8.5310 8.5310 8.5470 8.5470 8.5503 8.5503 8.7964 8.7964 8.8089 8.8089 10.9594 10.9594 10.9898 10.9898 11.6543 11.6543 12.6534 12.6534 12.6610 12.6610 13.3221 13.3221 13.4045 13.4045 13.5288 13.5288 13.6194 13.6194 13.8416 13.8416 13.8696 13.8696 14.2302 14.2302 14.2769 14.2769 14.3133 14.3133 16.1416 16.1416 16.1898 16.1898 16.6960 16.6960 21.5715 21.5715 21.5737 21.5737 k = 0.0507 0.0507 0.0507 ( 2232 PWs) bands (ev): 5.5414 5.5414 7.8365 7.8365 8.5374 8.5374 8.5568 8.5568 8.5635 8.5635 8.8049 8.8049 8.8220 8.8220 10.9522 10.9522 10.9939 10.9939 11.6534 11.6534 12.6444 12.6444 12.6539 12.6539 13.2737 13.2737 13.3912 13.3912 13.4853 13.4853 13.6127 13.6127 13.8168 13.8168 13.8559 13.8559 14.2099 14.2099 14.2450 14.2450 14.2851 14.2851 16.1613 16.1613 16.2223 16.2223 16.6965 16.6965 21.6284 21.6284 21.6310 21.6310 k = 0.0580 0.0580 0.0580 ( 2232 PWs) bands (ev): 5.5690 5.5690 7.8530 7.8530 8.5447 8.5447 8.5679 8.5679 8.5786 8.5786 8.8147 8.8147 8.8372 8.8372 10.9435 10.9435 10.9986 10.9986 11.6525 11.6525 12.6340 12.6340 12.6452 12.6452 13.2178 13.2178 13.3760 13.3760 13.4337 13.4337 13.6050 13.6050 13.7885 13.7885 13.8407 13.8407 14.1882 14.1882 14.2143 14.2143 14.2548 14.2548 16.1823 16.1823 16.2560 16.2560 16.6968 16.6968 21.6925 21.6925 21.6954 21.6954 k = 0.0652 0.0652 0.0652 ( 2226 PWs) bands (ev): 5.6001 5.6001 7.8716 7.8716 8.5530 8.5530 8.5803 8.5803 8.5955 8.5955 8.8259 8.8259 8.8546 8.8546 10.9333 10.9333 11.0038 11.0038 11.6518 11.6518 12.6222 12.6222 12.6345 12.6345 13.1554 13.1554 13.3585 13.3585 13.3745 13.3745 13.5961 13.5961 13.7570 13.7570 13.8242 13.8242 14.1656 14.1656 14.1859 14.1859 14.2231 14.2231 16.2042 16.2042 16.2900 16.2900 16.6967 16.6967 21.7629 21.7629 21.7661 21.7661 k = 0.0725 0.0725 0.0725 ( 2226 PWs) bands (ev): 5.6347 5.6347 7.8923 7.8923 8.5621 8.5621 8.5938 8.5938 8.6141 8.6141 8.8385 8.8385 8.8742 8.8742 10.9215 10.9215 11.0095 11.0095 11.6513 11.6513 12.6091 12.6091 12.6213 12.6213 13.0870 13.0870 13.3087 13.3087 13.3380 13.3380 13.5860 13.5860 13.7226 13.7226 13.8066 13.8066 14.1426 14.1426 14.1603 14.1603 14.1906 14.1906 16.2265 16.2265 16.3237 16.3237 16.6962 16.6962 21.8388 21.8388 21.8421 21.8421 k = 0.0797 0.0797 0.0797 ( 2235 PWs) bands (ev): 5.6728 5.6728 7.9149 7.9149 8.5722 8.5722 8.6084 8.6084 8.6342 8.6342 8.8525 8.8525 8.8959 8.8959 10.9080 10.9080 11.0156 11.0156 11.6511 11.6511 12.5948 12.5948 12.6048 12.6048 13.0133 13.0133 13.2378 13.2378 13.3143 13.3143 13.5745 13.5745 13.6858 13.6858 13.7880 13.7880 14.1194 14.1194 14.1375 14.1375 14.1581 14.1581 16.2488 16.2488 16.3565 16.3565 16.6953 16.6953 21.9190 21.9190 21.9226 21.9226 k = 0.0870 0.0870 0.0870 ( 2235 PWs) bands (ev): 5.7143 5.7143 7.9396 7.9396 8.5832 8.5832 8.6240 8.6240 8.6557 8.6557 8.8682 8.8682 8.9199 8.9199 10.8927 10.8927 11.0223 11.0223 11.6511 11.6511 12.5791 12.5791 12.5841 12.5841 12.9350 12.9350 13.1641 13.1641 13.2871 13.2871 13.5611 13.5611 13.6477 13.6477 13.7685 13.7685 14.0964 14.0964 14.1176 14.1176 14.1262 14.1262 16.2707 16.2707 16.3879 16.3879 16.6937 16.6937 22.0022 22.0022 22.0063 22.0063 k = 0.0942 0.0942 0.0942 ( 2235 PWs) bands (ev): 5.7592 5.7592 7.9662 7.9662 8.5950 8.5950 8.6406 8.6406 8.6784 8.6784 8.8855 8.8855 8.9461 8.9461 10.8757 10.8757 11.0293 11.0293 11.6514 11.6514 12.5575 12.5575 12.5622 12.5622 12.8527 12.8527 13.0900 13.0900 13.2561 13.2561 13.5441 13.5441 13.6104 13.6104 13.7484 13.7484 14.0737 14.0737 14.0953 14.0953 14.1001 14.1001 16.2921 16.2921 16.4176 16.4176 16.6916 16.6916 22.0865 22.0865 22.0917 22.0917 k = 0.1014 0.1014 0.1014 ( 2235 PWs) bands (ev): 5.8073 5.8073 7.9947 7.9947 8.6078 8.6078 8.6580 8.6580 8.7022 8.7022 8.9045 8.9045 8.9746 8.9746 10.8569 10.8569 11.0367 11.0367 11.6519 11.6519 12.5231 12.5231 12.5440 12.5440 12.7672 12.7672 13.0186 13.0186 13.2212 13.2212 13.5198 13.5198 13.5781 13.5781 13.7275 13.7275 14.0510 14.0510 14.0663 14.0663 14.0849 14.0849 16.3125 16.3125 16.4454 16.4454 16.6888 16.6888 22.1698 22.1698 22.1774 22.1774 k = 0.1087 0.1087 0.1087 ( 2241 PWs) bands (ev): 5.8585 5.8585 8.0249 8.0249 8.6214 8.6214 8.6763 8.6763 8.7267 8.7267 8.9254 8.9254 9.0053 9.0053 10.8364 10.8364 11.0445 11.0445 11.6523 11.6523 12.4787 12.4787 12.5245 12.5245 12.6794 12.6794 12.9529 12.9529 13.1825 13.1825 13.4853 13.4853 13.5541 13.5541 13.7061 13.7061 14.0275 14.0275 14.0404 14.0404 14.0715 14.0715 16.3319 16.3319 16.4712 16.4712 16.6853 16.6853 22.2494 22.2494 22.2612 22.2612 k = 0.1159 0.1159 0.1159 ( 2241 PWs) bands (ev): 5.9129 5.9129 8.0568 8.0568 8.6358 8.6358 8.6952 8.6952 8.7517 8.7517 8.9484 8.9484 9.0382 9.0382 10.8141 10.8141 11.0525 11.0525 11.6525 11.6525 12.4227 12.4227 12.5031 12.5031 12.5904 12.5904 12.8956 12.8956 13.1399 13.1399 13.4436 13.4436 13.5361 13.5361 13.6844 13.6844 14.0024 14.0024 14.0186 14.0186 14.0598 14.0598 16.3501 16.3501 16.4947 16.4947 16.6811 16.6811 22.3221 22.3221 22.3409 22.3409 k = 0.1232 0.1232 0.1232 ( 2244 PWs) bands (ev): 5.9702 5.9702 8.0903 8.0903 8.6511 8.6511 8.7149 8.7149 8.7769 8.7769 8.9736 8.9736 9.0733 9.0733 10.7902 10.7902 11.0608 11.0608 11.6521 11.6521 12.3548 12.3548 12.4746 12.4746 12.5066 12.5066 12.8478 12.8478 13.0938 13.0938 13.3984 13.3984 13.5207 13.5207 13.6625 13.6625 13.9770 13.9770 13.9997 13.9997 14.0494 14.0494 16.3669 16.3669 16.5159 16.5159 16.6761 16.6761 22.3837 22.3837 22.4136 22.4136 k = 0.1304 0.1304 0.1304 ( 2244 PWs) bands (ev): 6.0303 6.0303 8.1252 8.1252 8.6672 8.6672 8.7353 8.7353 8.8020 8.8020 9.0011 9.0011 9.1104 9.1104 10.7648 10.7648 11.0693 11.0693 11.6503 11.6503 12.2761 12.2761 12.4025 12.4025 12.4658 12.4658 12.8088 12.8088 13.0444 13.0444 13.3519 13.3519 13.5063 13.5063 13.6407 13.6407 13.9523 13.9523 13.9828 13.9828 14.0401 14.0401 16.3822 16.3822 16.5349 16.5349 16.6704 16.6704 22.4300 22.4300 22.4762 22.4762 k = 0.1377 0.1377 0.1377 ( 2244 PWs) bands (ev): 6.0931 6.0931 8.1614 8.1614 8.6841 8.6841 8.7564 8.7564 8.8268 8.8268 9.0310 9.0310 9.1495 9.1495 10.7382 10.7382 11.0778 11.0778 11.6463 11.6463 12.1890 12.1890 12.3151 12.3151 12.4407 12.4407 12.7772 12.7772 12.9921 12.9921 13.3052 13.3052 13.4923 13.4923 13.6190 13.6190 13.9286 13.9286 13.9675 13.9675 14.0318 14.0318 16.3960 16.3960 16.5515 16.5515 16.6639 16.6639 22.4566 22.4566 22.5252 22.5252 k = 0.1449 0.1449 0.1449 ( 2238 PWs) bands (ev): 6.1585 6.1585 8.1988 8.1988 8.7018 8.7018 8.7781 8.7781 8.8510 8.8510 9.0633 9.0633 9.1905 9.1905 10.7106 10.7106 11.0865 11.0865 11.6386 11.6386 12.0958 12.0958 12.2298 12.2298 12.4159 12.4159 12.7510 12.7510 12.9373 12.9373 13.2588 13.2588 13.4785 13.4785 13.5978 13.5978 13.9060 13.9060 13.9537 13.9537 14.0244 14.0244 16.4081 16.4081 16.5658 16.5658 16.6566 16.6566 22.4602 22.4602 22.5573 22.5573 k = 0.1522 0.1522 0.1522 ( 2244 PWs) bands (ev): 6.2263 6.2263 8.2371 8.2371 8.7202 8.7202 8.8005 8.8005 8.8745 8.8745 9.0980 9.0980 9.2333 9.2333 10.6823 10.6823 11.0950 11.0950 11.6251 11.6251 11.9988 11.9988 12.1499 12.1499 12.3907 12.3907 12.7286 12.7286 12.8803 12.8803 13.2131 13.2131 13.4647 13.4647 13.5772 13.5772 13.8846 13.8846 13.9411 13.9411 14.0176 14.0176 16.4184 16.4184 16.5778 16.5778 16.6484 16.6484 22.4390 22.4390 22.5457 22.5457 k = 0.1594 0.1594 0.1594 ( 2244 PWs) bands (ev): 6.2963 6.2963 8.2761 8.2761 8.7392 8.7392 8.8238 8.8238 8.8972 8.8972 9.1350 9.1350 9.2778 9.2778 10.6536 10.6536 11.1034 11.1034 11.6031 11.6031 11.8998 11.8998 12.0786 12.0786 12.3649 12.3649 12.7087 12.7087 12.8217 12.8217 13.1688 13.1688 13.4510 13.4510 13.5575 13.5575 13.8643 13.8643 13.9297 13.9297 14.0113 14.0113 16.4270 16.4270 16.5875 16.5875 16.6396 16.6396 22.3934 22.3934 22.4775 22.4776 k = 0.1667 0.1667 0.1667 ( 2232 PWs) bands (ev): 6.3682 6.3682 8.3156 8.3156 8.7588 8.7588 8.8479 8.8479 8.9190 8.9190 9.1740 9.1740 9.3238 9.3238 10.6251 10.6251 11.1114 11.1114 11.5696 11.5696 11.8003 11.8003 12.0192 12.0192 12.3384 12.3384 12.6905 12.6905 12.7617 12.7617 13.1261 13.1261 13.4376 13.4376 13.5391 13.5391 13.8452 13.8452 13.9193 13.9193 14.0055 14.0055 16.4336 16.4336 16.5949 16.5949 16.6300 16.6300 22.3258 22.3258 22.3982 22.3982 k = 0.1739 0.1739 0.1739 ( 2232 PWs) bands (ev): 6.4419 6.4419 8.3551 8.3551 8.7787 8.7787 8.8732 8.8732 8.9398 8.9398 9.2147 9.2147 9.3710 9.3710 10.5972 10.5972 11.1187 11.1187 11.5227 11.5227 11.7016 11.7016 11.9738 11.9738 12.3115 12.3115 12.6733 12.6733 12.7009 12.7009 13.0851 13.0851 13.4242 13.4242 13.5219 13.5219 13.8272 13.8272 13.9098 13.9098 14.0002 14.0002 16.4382 16.4382 16.6001 16.6001 16.6197 16.6197 22.2394 22.2394 22.3093 22.3093 k = 0.1812 0.1812 0.1812 ( 2244 PWs) bands (ev): 6.5171 6.5171 8.3943 8.3943 8.7986 8.7986 8.8998 8.8998 8.9596 8.9596 9.2570 9.2570 9.4194 9.4194 10.5704 10.5704 11.1249 11.1249 11.4631 11.4631 11.6052 11.6052 11.9418 11.9418 12.2841 12.2841 12.6397 12.6397 12.6566 12.6566 13.0461 13.0461 13.4111 13.4111 13.5061 13.5061 13.8102 13.8102 13.9012 13.9012 13.9951 13.9951 16.4406 16.4406 16.6030 16.6030 16.6088 16.6088 22.1378 22.1378 22.2119 22.2119 k = 0.1884 0.1884 0.1884 ( 2250 PWs) bands (ev): 6.5935 6.5935 8.4328 8.4328 8.8184 8.8184 8.9280 8.9280 8.9782 8.9782 9.3004 9.3004 9.4686 9.4686 10.5454 10.5454 11.1289 11.1289 11.3936 11.3936 11.5128 11.5128 11.9206 11.9206 12.2566 12.2566 12.5785 12.5785 12.6402 12.6402 13.0095 13.0095 13.3984 13.3984 13.4922 13.4922 13.7943 13.7943 13.8932 13.8932 13.9903 13.9903 16.4408 16.4408 16.5974 16.5974 16.6037 16.6037 22.0246 22.0246 22.1072 22.1072 k = 0.1957 0.1957 0.1957 ( 2244 PWs) bands (ev): 6.6708 6.6708 8.4702 8.4702 8.8377 8.8377 8.9582 8.9582 8.9956 8.9956 9.3447 9.3447 9.5186 9.5186 10.5229 10.5229 11.1289 11.1289 11.3176 11.3176 11.4271 11.4271 11.9067 11.9067 12.2292 12.2292 12.5177 12.5177 12.6238 12.6238 12.9752 12.9752 13.3864 13.3864 13.4803 13.4803 13.7795 13.7795 13.8860 13.8860 13.9859 13.9859 16.4384 16.4384 16.5855 16.5855 16.6022 16.6022 21.9024 21.9024 21.9960 21.9960 k = 0.2029 0.2029 0.2029 ( 2244 PWs) bands (ev): 6.7487 6.7487 8.5059 8.5059 8.8560 8.8560 8.9907 8.9907 9.0115 9.0115 9.3893 9.3893 9.5689 9.5689 10.5036 10.5036 11.1205 11.1205 11.2382 11.2382 11.3532 11.3532 11.8969 11.8969 12.2022 12.2022 12.4579 12.4579 12.6073 12.6073 12.9433 12.9433 13.3751 13.3751 13.4703 13.4703 13.7656 13.7656 13.8793 13.8793 13.9817 13.9817 16.4334 16.4334 16.5734 16.5734 16.5983 16.5983 21.7737 21.7737 21.8791 21.8791 k = 0.2101 0.2101 0.2101 ( 2244 PWs) bands (ev): 6.8268 6.8268 8.5395 8.5395 8.8730 8.8730 9.0258 9.0258 9.0259 9.0259 9.4338 9.4338 9.6194 9.6194 10.4884 10.4884 11.0967 11.0967 11.1579 11.1579 11.2991 11.2991 11.8885 11.8885 12.1762 12.1762 12.3995 12.3995 12.5905 12.5905 12.9142 12.9142 13.3647 13.3647 13.4626 13.4626 13.7526 13.7526 13.8731 13.8731 13.9777 13.9777 16.4255 16.4255 16.5611 16.5611 16.5922 16.5922 21.6404 21.6404 21.7573 21.7573 k = 0.2174 0.2174 0.2174 ( 2238 PWs) bands (ev): 6.9047 6.9047 8.5704 8.5704 8.8883 8.8883 9.0384 9.0384 9.0635 9.0635 9.4778 9.4778 9.6699 9.6699 10.4779 10.4779 11.0531 11.0531 11.0784 11.0784 11.2698 11.2698 11.8795 11.8795 12.1518 12.1518 12.3430 12.3430 12.5734 12.5734 12.8878 12.8878 13.3553 13.3553 13.4571 13.4571 13.7405 13.7405 13.8674 13.8674 13.9739 13.9739 16.4145 16.4145 16.5486 16.5486 16.5838 16.5838 21.5041 21.5041 21.6313 21.6313 k = 0.2246 0.2246 0.2246 ( 2238 PWs) bands (ev): 6.9820 6.9820 8.5981 8.5981 8.9016 8.9016 9.0488 9.0488 9.1039 9.1039 9.5205 9.5205 9.7203 9.7203 10.4727 10.4727 10.9966 10.9966 11.0013 11.0013 11.2595 11.2595 11.8679 11.8679 12.1299 12.1299 12.2889 12.2889 12.5561 12.5561 12.8641 12.8641 13.3471 13.3471 13.4539 13.4539 13.7292 13.7292 13.8621 13.8621 13.9702 13.9702 16.4004 16.4004 16.5360 16.5360 16.5729 16.5729 21.3660 21.3660 21.5018 21.5018 k = 0.2319 0.2319 0.2319 ( 2238 PWs) bands (ev): 7.0583 7.0583 8.6221 8.6221 8.9125 8.9125 9.0567 9.0567 9.1469 9.1469 9.5613 9.5613 9.7707 9.7707 10.4731 10.4731 10.9282 10.9282 10.9371 10.9371 11.2594 11.2594 11.8520 11.8520 12.1111 12.1111 12.2379 12.2379 12.5385 12.5385 12.8433 12.8433 13.3403 13.3403 13.4530 13.4530 13.7186 13.7186 13.8572 13.8572 13.9667 13.9667 16.3831 16.3831 16.5231 16.5231 16.5596 16.5596 21.2270 21.2270 21.3694 21.3694 k = 0.2391 0.2391 0.2391 ( 2238 PWs) bands (ev): 7.1332 7.1332 8.6420 8.6420 8.9206 8.9206 9.0618 9.0618 9.1922 9.1922 9.5995 9.5995 9.8214 9.8214 10.4787 10.4787 10.8609 10.8609 10.8806 10.8806 11.2645 11.2645 11.8310 11.8310 12.0958 12.0958 12.1905 12.1905 12.5208 12.5208 12.8254 12.8254 13.3349 13.3349 13.4545 13.4545 13.7087 13.7087 13.8526 13.8526 13.9633 13.9633 16.3627 16.3627 16.5097 16.5097 16.5438 16.5438 21.0881 21.0881 21.2350 21.2350 k = 0.2464 0.2464 0.2464 ( 2238 PWs) bands (ev): 7.2062 7.2062 8.6574 8.6574 8.9258 8.9258 9.0637 9.0637 9.2395 9.2395 9.6343 9.6343 9.8728 9.8728 10.4880 10.4880 10.8018 10.8018 10.8306 10.8306 11.2726 11.2726 11.8047 11.8047 12.0830 12.0830 12.1480 12.1480 12.5031 12.5031 12.8105 12.8105 13.3311 13.3311 13.4581 13.4581 13.6995 13.6995 13.8483 13.8483 13.9600 13.9600 16.3393 16.3393 16.4957 16.4957 16.5253 16.5253 20.9500 20.9500 21.0990 21.0990 k = 0.2536 0.2536 0.2536 ( 2238 PWs) bands (ev): 7.2769 7.2769 8.6681 8.6681 8.9276 8.9276 9.0619 9.0619 9.2884 9.2884 9.6649 9.6649 9.9256 9.9256 10.4979 10.4979 10.7548 10.7548 10.7892 10.7892 11.2827 11.2827 11.7735 11.7735 12.0687 12.0687 12.1140 12.1140 12.4856 12.4856 12.7984 12.7984 13.3289 13.3289 13.4639 13.4639 13.6909 13.6909 13.8442 13.8442 13.9569 13.9569 16.3129 16.3129 16.4807 16.4807 16.5042 16.5042 20.8132 20.8132 20.9623 20.9623 k = 0.2609 0.2609 0.2609 ( 2235 PWs) bands (ev): 7.3450 7.3450 8.6738 8.6738 8.9258 8.9258 9.0560 9.0560 9.3385 9.3385 9.6907 9.6907 9.9805 9.9805 10.5026 10.5026 10.7261 10.7261 10.7577 10.7577 11.2944 11.2944 11.7387 11.7387 12.0452 12.0452 12.0956 12.0956 12.4683 12.4683 12.7894 12.7894 13.3285 13.3285 13.4718 13.4718 13.6828 13.6828 13.8405 13.8405 13.9539 13.9539 16.2837 16.2837 16.4644 16.4644 16.4801 16.4801 20.6783 20.6783 20.8253 20.8253 k = 0.2681 0.2681 0.2681 ( 2241 PWs) bands (ev): 7.4100 7.4100 8.6744 8.6744 8.9201 8.9201 9.0457 9.0457 9.3892 9.3892 9.7115 9.7115 10.0379 10.0379 10.4971 10.4971 10.7211 10.7211 10.7369 10.7369 11.3075 11.3075 11.7016 11.7016 12.0148 12.0148 12.0895 12.0895 12.4515 12.4515 12.7832 12.7832 13.3299 13.3299 13.4816 13.4816 13.6753 13.6753 13.8369 13.8369 13.9509 13.9509 16.2517 16.2517 16.4467 16.4467 16.4532 16.4532 20.5459 20.5459 20.6887 20.6887 k = 0.2754 0.2754 0.2754 ( 2247 PWs) bands (ev): 7.4718 7.4718 8.6702 8.6702 8.9103 8.9103 9.0307 9.0307 9.4401 9.4401 9.7274 9.7274 10.0979 10.0979 10.4835 10.4835 10.7270 10.7270 10.7381 10.7381 11.3221 11.3221 11.6634 11.6634 11.9839 11.9839 12.0886 12.0886 12.4354 12.4354 12.7799 12.7799 13.3330 13.3330 13.4932 13.4932 13.6683 13.6683 13.8336 13.8336 13.9481 13.9481 16.2169 16.2169 16.4231 16.4231 16.4273 16.4273 20.4163 20.4163 20.5530 20.5530 k = 0.2826 0.2826 0.2826 ( 2250 PWs) bands (ev): 7.5300 7.5300 8.6611 8.6611 8.8962 8.8962 9.0107 9.0107 9.4905 9.4905 9.7388 9.7388 10.1589 10.1589 10.4702 10.4702 10.7274 10.7274 10.7700 10.7700 11.3382 11.3382 11.6256 11.6256 11.9547 11.9547 12.0902 12.0902 12.4201 12.4201 12.7795 12.7795 13.3380 13.3380 13.5066 13.5066 13.6618 13.6618 13.8305 13.8305 13.9454 13.9454 16.1793 16.1793 16.3898 16.3898 16.4060 16.4060 20.2899 20.2899 20.4187 20.4187 k = 0.2899 0.2899 0.2899 ( 2250 PWs) bands (ev): 7.5845 7.5845 8.6478 8.6478 8.8780 8.8780 8.9859 8.9859 9.5399 9.5399 9.7464 9.7464 10.2171 10.2171 10.4672 10.4672 10.7370 10.7370 10.8101 10.8101 11.3560 11.3560 11.5894 11.5894 11.9280 11.9280 12.0936 12.0936 12.4061 12.4061 12.7819 12.7819 13.3448 13.3448 13.5215 13.5215 13.6557 13.6557 13.8276 13.8276 13.9428 13.9428 16.1389 16.1389 16.3531 16.3531 16.3825 16.3825 20.1672 20.1672 20.2863 20.2863 k = 0.2971 0.2971 0.2971 ( 2250 PWs) bands (ev): 7.6352 7.6352 8.6304 8.6304 8.8556 8.8556 8.9565 8.9565 9.5875 9.5875 9.7514 9.7514 10.2651 10.2651 10.4854 10.4854 10.7543 10.7543 10.8540 10.8540 11.3758 11.3758 11.5561 11.5561 11.9041 11.9041 12.0984 12.0984 12.3934 12.3934 12.7873 12.7873 13.3533 13.3533 13.5378 13.5378 13.6501 13.6501 13.8248 13.8248 13.9403 13.9403 16.0957 16.0957 16.3129 16.3129 16.3567 16.3567 20.0484 20.0484 20.1562 20.1562 k = 0.3043 0.3043 0.3043 ( 2244 PWs) bands (ev): 7.6822 7.6822 8.6097 8.6097 8.8293 8.8293 8.9228 8.9228 9.6323 9.6323 9.7545 9.7545 10.2974 10.2974 10.5319 10.5319 10.7775 10.7775 10.8983 10.8983 11.3976 11.3976 11.5271 11.5271 11.8833 11.8833 12.1048 12.1048 12.3824 12.3824 12.7954 12.7954 13.3635 13.3635 13.5555 13.5555 13.6449 13.6449 13.8223 13.8223 13.9379 13.9379 16.0497 16.0497 16.2691 16.2691 16.3283 16.3283 19.9338 19.9338 20.0288 20.0288 k = 0.3116 0.3116 0.3116 ( 2238 PWs) bands (ev): 7.7253 7.7253 8.5860 8.5860 8.7994 8.7994 8.8853 8.8853 9.6737 9.6737 9.7566 9.7566 10.3186 10.3186 10.6025 10.6025 10.8050 10.8050 10.9401 10.9401 11.4218 11.4218 11.5041 11.5041 11.8660 11.8660 12.1131 12.1131 12.3735 12.3735 12.8065 12.8065 13.3752 13.3752 13.5741 13.5741 13.6401 13.6401 13.8200 13.8200 13.9357 13.9357 16.0008 16.0008 16.2215 16.2215 16.2972 16.2972 19.8237 19.8237 19.9046 19.9046 k = 0.3188 0.3188 0.3188 ( 2239 PWs) bands (ev): 7.7648 7.7648 8.5600 8.5600 8.7663 8.7663 8.8447 8.8447 9.7106 9.7106 9.7583 9.7583 10.3375 10.3375 10.6880 10.6880 10.8349 10.8349 10.9767 10.9767 11.4486 11.4486 11.4888 11.4888 11.8529 11.8529 12.1237 12.1237 12.3669 12.3669 12.8205 12.8205 13.3884 13.3884 13.5937 13.5937 13.6357 13.6357 13.8178 13.8178 13.9335 13.9335 15.9491 15.9491 16.1702 16.1702 16.2631 16.2631 19.7183 19.7183 19.7838 19.7838 k = 0.3261 0.3261 0.3261 ( 2239 PWs) bands (ev): 7.8007 7.8007 8.5321 8.5321 8.7306 8.7306 8.8017 8.8017 9.7426 9.7426 9.7598 9.7598 10.3597 10.3597 10.7811 10.7811 10.8660 10.8660 11.0059 11.0059 11.4779 11.4779 11.4832 11.4832 11.8443 11.8443 12.1375 12.1375 12.3631 12.3631 12.8374 12.8374 13.4028 13.4028 13.6140 13.6140 13.6317 13.6317 13.8158 13.8158 13.9314 13.9314 15.8945 15.8945 16.1149 16.1149 16.2259 16.2259 19.6179 19.6179 19.6668 19.6668 k = 0.3333 0.3333 0.3333 ( 2230 PWs) bands (ev): 7.8333 7.8333 8.5028 8.5028 8.6927 8.6927 8.7569 8.7569 9.7615 9.7615 9.7692 9.7692 10.3875 10.3875 10.8766 10.8766 10.8968 10.8968 11.0267 11.0267 11.4889 11.4889 11.5098 11.5098 11.8406 11.8406 12.1554 12.1554 12.3626 12.3626 12.8575 12.8575 13.4185 13.4185 13.6282 13.6282 13.6349 13.6349 13.8140 13.8140 13.9295 13.9295 15.8370 15.8370 16.0556 16.0556 16.1854 16.1854 19.5225 19.5225 19.5541 19.5541 k = 0.3406 0.3406 0.3406 ( 2239 PWs) bands (ev): 7.8628 7.8628 8.4725 8.4725 8.6532 8.6532 8.7109 8.7109 9.7633 9.7633 9.7907 9.7907 10.4211 10.4211 10.9265 10.9265 10.9659 10.9659 11.0428 11.0428 11.5076 11.5076 11.5440 11.5440 11.8420 11.8420 12.1787 12.1787 12.3659 12.3659 12.8806 12.8806 13.4350 13.4350 13.6250 13.6250 13.6562 13.6562 13.8123 13.8123 13.9276 13.9276 15.7766 15.7766 15.9924 15.9924 16.1415 16.1415 19.4323 19.4323 19.4457 19.4457 k = 0.3478 0.3478 0.3478 ( 2251 PWs) bands (ev): 7.8893 7.8893 8.4417 8.4417 8.6126 8.6126 8.6644 8.6644 9.7654 9.7654 9.8074 9.8074 10.4601 10.4601 10.9542 10.9542 11.0167 11.0167 11.0823 11.0823 11.5411 11.5411 11.5800 11.5800 11.8478 11.8478 12.2089 12.2089 12.3737 12.3737 12.9069 12.9069 13.4524 13.4524 13.6224 13.6224 13.6778 13.6778 13.8106 13.8106 13.9258 13.9258 15.7135 15.7135 15.9253 15.9253 16.0939 16.0939 19.3421 19.3421 19.3474 19.3474 k = 0.3551 0.3551 0.3551 ( 2263 PWs) bands (ev): 7.9130 7.9130 8.4106 8.4106 8.5714 8.5714 8.6178 8.6178 9.7676 9.7676 9.8198 9.8198 10.5036 10.5036 10.9797 10.9797 11.0212 11.0212 11.1485 11.1485 11.5925 11.5925 11.6171 11.6171 11.8572 11.8572 12.2472 12.2472 12.3866 12.3866 12.9367 12.9367 13.4705 13.4705 13.6202 13.6202 13.6993 13.6993 13.8093 13.8093 13.9243 13.9243 15.6475 15.6475 15.8542 15.8542 16.0426 16.0426 19.2434 19.2434 19.2678 19.2678 k = 0.3623 0.3623 0.3623 ( 2257 PWs) bands (ev): 7.9343 7.9343 8.3797 8.3797 8.5301 8.5301 8.5716 8.5716 9.7699 9.7699 9.8286 9.8286 10.5503 10.5503 11.0027 11.0027 11.0149 11.0149 11.2030 11.2030 11.6544 11.6544 11.6635 11.6635 11.8691 11.8691 12.2947 12.2947 12.4054 12.4054 12.9701 12.9701 13.4893 13.4893 13.6185 13.6185 13.7210 13.7210 13.8081 13.8081 13.9229 13.9229 15.5789 15.5789 15.7794 15.7794 15.9876 15.9876 19.1498 19.1498 19.1934 19.1934 k = 0.3696 0.3696 0.3696 ( 2263 PWs) bands (ev): 7.9532 7.9532 8.3491 8.3491 8.4891 8.4891 8.5262 8.5262 9.7723 9.7723 9.8345 9.8345 10.5992 10.5992 11.0052 11.0052 11.0231 11.0231 11.2399 11.2399 11.6908 11.6908 11.7512 11.7512 11.8837 11.8837 12.3517 12.3517 12.4308 12.4308 13.0074 13.0074 13.5084 13.5084 13.6174 13.6174 13.7424 13.7424 13.8071 13.8071 13.9218 13.9218 15.5078 15.5078 15.7010 15.7010 15.9287 15.9287 19.0615 19.0615 19.1243 19.1243 k = 0.3768 0.3768 0.3768 ( 2260 PWs) bands (ev): 7.9701 7.9701 8.3192 8.3192 8.4488 8.4488 8.4819 8.4819 9.7747 9.7747 9.8379 9.8379 10.6492 10.6492 10.9942 10.9942 11.0411 11.0411 11.2620 11.2620 11.7255 11.7255 11.8394 11.8394 11.9111 11.9111 12.4182 12.4182 12.4633 12.4633 13.0489 13.0489 13.5279 13.5279 13.6169 13.6169 13.7634 13.7634 13.8064 13.8064 13.9209 13.9209 15.4341 15.4341 15.6191 15.6191 15.8661 15.8661 18.9786 18.9786 19.0603 19.0603 k = 0.3841 0.3841 0.3841 ( 2260 PWs) bands (ev): 7.9850 7.9850 8.2901 8.2901 8.4094 8.4094 8.4391 8.4391 9.7770 9.7770 9.8393 9.8393 10.6992 10.6992 10.9831 10.9831 11.0567 11.0567 11.2737 11.2737 11.7575 11.7575 11.8806 11.8806 11.9928 11.9928 12.4932 12.4932 12.5034 12.5034 13.0948 13.0948 13.5475 13.5475 13.6173 13.6173 13.7837 13.7837 13.8058 13.8058 13.9203 13.9203 15.3582 15.3582 15.5339 15.5339 15.7997 15.7997 18.9011 18.9011 19.0012 19.0012 k = 0.3913 0.3913 0.3913 ( 2263 PWs) bands (ev): 7.9982 7.9982 8.2620 8.2620 8.3713 8.3713 8.3979 8.3979 9.7792 9.7792 9.8391 9.8391 10.7484 10.7484 10.9727 10.9727 11.0702 11.0702 11.2786 11.2786 11.7864 11.7864 11.8944 11.8944 12.1047 12.1047 12.5511 12.5511 12.5759 12.5759 13.1454 13.1454 13.5672 13.5672 13.6188 13.6188 13.8033 13.8033 13.8055 13.8055 13.9201 13.9201 15.2801 15.2801 15.4457 15.4457 15.7299 15.7299 18.8291 18.8291 18.9471 18.9471 k = 0.3986 0.3986 0.3986 ( 2257 PWs) bands (ev): 8.0099 8.0099 8.2351 8.2351 8.3347 8.3347 8.3587 8.3587 9.7813 9.7813 9.8375 9.8375 10.7956 10.7956 10.9636 10.9636 11.0819 11.0819 11.2792 11.2792 11.8118 11.8118 11.9028 11.9028 12.2212 12.2212 12.6063 12.6063 12.6650 12.6650 13.2010 13.2010 13.5867 13.5867 13.6219 13.6219 13.8055 13.8055 13.8217 13.8217 13.9204 13.9204 15.2001 15.2001 15.3548 15.3548 15.6567 15.6567 18.7623 18.7623 18.8976 18.8976 k = 0.4058 0.4058 0.4058 ( 2257 PWs) bands (ev): 8.0201 8.0201 8.2095 8.2095 8.2999 8.2999 8.3216 8.3216 9.7833 9.7833 9.8350 9.8350 10.8394 10.8394 10.9570 10.9570 11.0918 11.0918 11.2772 11.2772 11.8338 11.8338 11.9090 11.9090 12.3368 12.3368 12.6685 12.6685 12.7589 12.7589 13.2614 13.2614 13.6055 13.6055 13.6277 13.6277 13.8058 13.8058 13.8388 13.8388 13.9215 13.9215 15.1183 15.1183 15.2613 15.2613 15.5805 15.5805 18.7008 18.7008 18.8526 18.8526 k = 0.4130 0.4130 0.4130 ( 2263 PWs) bands (ev): 8.0291 8.0291 8.1854 8.1854 8.2671 8.2671 8.2867 8.2867 9.7850 9.7850 9.8316 9.8316 10.8769 10.8769 10.9554 10.9554 11.1002 11.1002 11.2737 11.2737 11.8527 11.8527 11.9139 11.9139 12.4491 12.4491 12.7368 12.7368 12.8561 12.8561 13.3259 13.3259 13.6215 13.6215 13.6394 13.6394 13.8065 13.8065 13.8540 13.8540 13.9236 13.9236 15.0351 15.0351 15.1656 15.1656 15.5017 15.5017 18.6444 18.6444 18.8119 18.8119 k = 0.4203 0.4203 0.4203 ( 2263 PWs) bands (ev): 8.0368 8.0368 8.1628 8.1628 8.2364 8.2364 8.2542 8.2542 9.7866 9.7866 9.8277 9.8277 10.9009 10.9009 10.9653 10.9653 11.1074 11.1074 11.2697 11.2697 11.8687 11.8687 11.9179 11.9179 12.5566 12.5566 12.8107 12.8107 12.9546 12.9546 13.3925 13.3925 13.6350 13.6350 13.6591 13.6591 13.8078 13.8078 13.8668 13.8668 13.9273 13.9273 14.9506 14.9506 15.0681 15.0681 15.4207 15.4207 18.5927 18.5927 18.7753 18.7753 k = 0.4275 0.4275 0.4275 ( 2263 PWs) bands (ev): 8.0436 8.0436 8.1420 8.1420 8.2080 8.2080 8.2242 8.2242 9.7880 9.7880 9.8235 9.8235 10.9083 10.9083 10.9894 10.9894 11.1134 11.1134 11.2656 11.2656 11.8823 11.8823 11.9213 11.9213 12.6587 12.6587 12.8894 12.8894 13.0526 13.0526 13.4563 13.4563 13.6508 13.6508 13.6862 13.6862 13.8099 13.8099 13.8770 13.8770 13.9327 13.9327 14.8652 14.8652 14.9689 14.9689 15.3382 15.3382 18.5456 18.5456 18.7426 18.7426 k = 0.4348 0.4348 0.4348 ( 2263 PWs) bands (ev): 8.0493 8.0493 8.1229 8.1229 8.1819 8.1819 8.1968 8.1968 9.7892 9.7892 9.8190 9.8190 10.9081 10.9081 11.0183 11.0183 11.1184 11.1184 11.2621 11.2621 11.8937 11.8937 11.9241 11.9241 12.7545 12.7545 12.9719 12.9719 13.1484 13.1484 13.5098 13.5098 13.6714 13.6714 13.7248 13.7248 13.8136 13.8136 13.8844 13.8844 13.9400 13.9400 14.7792 14.7792 14.8685 14.8685 15.2549 15.2549 18.5026 18.5026 18.7136 18.7136 k = 0.4420 0.4420 0.4420 ( 2269 PWs) bands (ev): 8.0542 8.0542 8.1057 8.1057 8.1584 8.1584 8.1721 8.1721 9.7903 9.7903 9.8146 9.8146 10.9057 10.9057 11.0459 11.0459 11.1225 11.1225 11.2595 11.2595 11.9033 11.9033 11.9265 11.9265 12.8438 12.8438 13.0574 13.0574 13.2407 13.2407 13.5475 13.5475 13.6953 13.6953 13.7770 13.7770 13.8219 13.8219 13.8898 13.8898 13.9483 13.9483 14.6930 14.6930 14.7673 14.7673 15.1718 15.1718 18.4633 18.4633 18.6882 18.6882 k = 0.4493 0.4493 0.4493 ( 2269 PWs) bands (ev): 8.0581 8.0581 8.0904 8.0904 8.1375 8.1375 8.1501 8.1501 9.7912 9.7912 9.8103 9.8103 10.9031 10.9031 11.0703 11.0703 11.1259 11.1259 11.2581 11.2581 11.9114 11.9114 11.9286 11.9286 12.9257 12.9257 13.1452 13.1452 13.3282 13.3282 13.5719 13.5719 13.7214 13.7214 13.8124 13.8124 13.8620 13.8620 13.8939 13.8939 13.9570 13.9570 14.6070 14.6070 14.6657 14.6657 15.0903 15.0903 18.4271 18.4271 18.6662 18.6662 k = 0.4565 0.4565 0.4565 ( 2278 PWs) bands (ev): 8.0610 8.0610 8.0772 8.0772 8.1194 8.1194 8.1310 8.1310 9.7920 9.7920 9.8063 9.8063 10.9006 10.9006 11.0904 11.0904 11.1287 11.1287 11.2582 11.2582 11.9181 11.9181 11.9304 11.9304 12.9993 12.9993 13.2343 13.2343 13.4093 13.4093 13.5889 13.5889 13.7507 13.7507 13.8244 13.8244 13.8976 13.8976 13.9312 13.9312 13.9654 13.9654 14.5218 14.5218 14.5641 14.5641 15.0122 15.0122 18.3935 18.3935 18.6474 18.6474 k = 0.4638 0.4638 0.4638 ( 2278 PWs) bands (ev): 8.0614 8.0614 8.0679 8.0679 8.1043 8.1043 8.1147 8.1147 9.7926 9.7926 9.8028 9.8028 10.8984 10.8984 11.1063 11.1063 11.1309 11.1309 11.2596 11.2596 11.9235 11.9235 11.9319 11.9319 13.0637 13.0637 13.3233 13.3233 13.4818 13.4818 13.6020 13.6020 13.7854 13.7854 13.8372 13.8372 13.9018 13.9018 13.9730 13.9730 13.9975 13.9975 14.4382 14.4382 14.4633 14.4633 14.9399 14.9399 18.3619 18.3619 18.6318 18.6318 k = 0.4710 0.4710 0.4710 ( 2272 PWs) bands (ev): 8.0548 8.0548 8.0666 8.0666 8.0922 8.0922 8.1013 8.1013 9.7931 9.7931 9.7997 9.7997 10.8967 10.8967 11.1181 11.1181 11.1326 11.1326 11.2620 11.2620 11.9279 11.9279 11.9331 11.9331 13.1177 13.1177 13.4105 13.4105 13.5430 13.5430 13.6127 13.6127 13.8271 13.8271 13.8552 13.8552 13.9075 13.9075 13.9796 13.9796 14.0503 14.0503 14.3573 14.3573 14.3641 14.3641 14.8764 14.8764 18.3319 18.3319 18.6191 18.6191 k = 0.4783 0.4783 0.4783 ( 2272 PWs) bands (ev): 8.0478 8.0478 8.0663 8.0663 8.0839 8.0839 8.0909 8.0909 9.7935 9.7935 9.7972 9.7972 10.8954 10.8954 11.1263 11.1263 11.1338 11.1338 11.2649 11.2649 11.9312 11.9312 11.9341 11.9341 13.1602 13.1602 13.4924 13.4924 13.5900 13.5900 13.6214 13.6214 13.8744 13.8744 13.8821 13.8821 13.9166 13.9166 13.9849 13.9849 14.0826 14.0826 14.2679 14.2679 14.2807 14.2807 14.8253 14.8253 18.3042 18.3042 18.6094 18.6094 k = 0.4855 0.4855 0.4855 ( 2272 PWs) bands (ev): 8.0426 8.0426 8.0646 8.0646 8.0794 8.0794 8.0834 8.0834 9.7937 9.7937 9.7954 9.7954 10.8944 10.8944 11.1316 11.1316 11.1347 11.1347 11.2675 11.2675 11.9336 11.9336 11.9348 11.9348 13.1906 13.1906 13.5635 13.5635 13.6216 13.6216 13.6284 13.6284 13.9130 13.9130 13.9298 13.9298 13.9322 13.9322 13.9891 13.9891 14.0894 14.0894 14.1774 14.1774 14.2120 14.2120 14.7892 14.7892 18.2808 18.2808 18.6025 18.6025 k = 0.4928 0.4928 0.4928 ( 2272 PWs) bands (ev): 8.0395 8.0395 8.0626 8.0626 8.0778 8.0778 8.0789 8.0789 9.7939 9.7939 9.7943 9.7943 10.8939 10.8939 11.1345 11.1345 11.1352 11.1352 11.2694 11.2694 11.9349 11.9349 11.9353 11.9353 13.2088 13.2088 13.6140 13.6140 13.6311 13.6311 13.6409 13.6409 13.9523 13.9523 13.9575 13.9575 13.9775 13.9775 13.9930 13.9930 14.0718 14.0718 14.0979 14.0979 14.1586 14.1586 14.7685 14.7685 18.2648 18.2648 18.5983 18.5983 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): 8.0385 8.0385 8.0617 8.0617 8.0774 8.0774 8.0774 8.0774 9.7939 9.7939 9.7939 9.7939 10.8937 10.8937 11.1354 11.1354 11.1354 11.1354 11.2701 11.2701 11.9354 11.9354 11.9354 11.9354 13.2148 13.2148 13.6326 13.6326 13.6326 13.6326 13.6466 13.6466 13.9765 13.9765 13.9765 13.9765 14.0008 14.0008 14.0008 14.0008 14.0526 14.0526 14.0526 14.0526 14.1356 14.1356 14.7619 14.7619 18.2591 18.2591 18.5970 18.5970 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): 8.0385 8.0385 8.0617 8.0617 8.0774 8.0774 8.0774 8.0774 9.7939 9.7939 9.7939 9.7939 10.8937 10.8937 11.1354 11.1354 11.1354 11.1354 11.2701 11.2701 11.9354 11.9354 11.9354 11.9354 13.2148 13.2148 13.6326 13.6326 13.6326 13.6326 13.6466 13.6466 13.9765 13.9765 13.9765 13.9765 14.0008 14.0008 14.0008 14.0008 14.0526 14.0526 14.0526 14.0526 14.1356 14.1356 14.7619 14.7619 18.2591 18.2591 18.5970 18.5970 k = 0.4911 0.5000 0.4911 ( 2272 PWs) bands (ev): 8.0395 8.0395 8.0626 8.0626 8.0778 8.0778 8.0789 8.0789 9.7939 9.7939 9.7943 9.7943 10.8939 10.8939 11.1345 11.1345 11.1352 11.1352 11.2694 11.2694 11.9348 11.9348 11.9354 11.9354 13.2087 13.2087 13.6143 13.6143 13.6305 13.6305 13.6408 13.6408 13.9533 13.9533 13.9561 13.9561 13.9775 13.9775 13.9919 13.9919 14.0748 14.0748 14.0964 14.0964 14.1587 14.1587 14.7685 14.7685 18.2649 18.2649 18.5989 18.5990 k = 0.4821 0.5000 0.4821 ( 2272 PWs) bands (ev): 8.0427 8.0427 8.0649 8.0649 8.0792 8.0792 8.0834 8.0834 9.7938 9.7938 9.7954 9.7954 10.8944 10.8944 11.1316 11.1316 11.1346 11.1346 11.2675 11.2675 11.9328 11.9328 11.9356 11.9356 13.1904 13.1904 13.5647 13.5647 13.6227 13.6227 13.6242 13.6242 13.9151 13.9151 13.9217 13.9217 13.9404 13.9404 13.9784 13.9784 14.1100 14.1100 14.1641 14.1641 14.2147 14.2147 14.7890 14.7890 18.2814 18.2814 18.6049 18.6049 k = 0.4732 0.5000 0.4732 ( 2272 PWs) bands (ev): 8.0479 8.0479 8.0677 8.0677 8.0820 8.0820 8.0916 8.0916 9.7936 9.7936 9.7971 9.7971 10.8954 10.8954 11.1267 11.1267 11.1336 11.1336 11.2646 11.2646 11.9295 11.9295 11.9357 11.9357 13.1598 13.1598 13.4946 13.4946 13.5904 13.5904 13.6137 13.6137 13.8736 13.8736 13.8895 13.8895 13.9110 13.9110 13.9606 13.9606 14.1426 14.1426 14.2170 14.2170 14.2989 14.2989 14.8248 14.8248 18.3058 18.3058 18.6156 18.6156 k = 0.4643 0.5000 0.4643 ( 2272 PWs) bands (ev): 8.0552 8.0552 8.0703 8.0703 8.0866 8.0866 8.1035 8.1035 9.7933 9.7933 9.7995 9.7995 10.8967 10.8967 11.1192 11.1192 11.1319 11.1319 11.2613 11.2613 11.9249 11.9249 11.9360 11.9360 13.1174 13.1174 13.4130 13.4130 13.5424 13.5424 13.5995 13.5995 13.8352 13.8352 13.8589 13.8589 13.8884 13.8884 13.9419 13.9419 14.1700 14.1700 14.2541 14.2541 14.3997 14.3997 14.8768 14.8768 18.3340 18.3340 18.6318 18.6318 k = 0.4554 0.5000 0.4554 ( 2278 PWs) bands (ev): 8.0645 8.0645 8.0724 8.0724 8.0934 8.0934 8.1192 8.1192 9.7930 9.7930 9.8025 9.8025 10.8984 10.8984 11.1089 11.1089 11.1294 11.1294 11.2580 11.2580 11.9189 11.9189 11.9362 11.9362 13.0639 13.0639 13.3247 13.3247 13.4806 13.4806 13.5815 13.5815 13.7992 13.7992 13.8343 13.8343 13.8645 13.8645 13.9271 13.9271 14.1916 14.1916 14.2793 14.2793 14.5083 14.5083 14.9447 14.9447 18.3619 18.3619 18.6539 18.6539 k = 0.4464 0.5000 0.4464 ( 2278 PWs) bands (ev): 8.0739 8.0739 8.0759 8.0759 8.1022 8.1022 8.1385 8.1385 9.7925 9.7925 9.8060 9.8060 10.9006 10.9006 11.0952 11.0952 11.1260 11.1260 11.2554 11.2554 11.9115 11.9115 11.9365 11.9365 13.0006 13.0006 13.2322 13.2322 13.4090 13.4090 13.5594 13.5594 13.7627 13.7627 13.8148 13.8148 13.8407 13.8407 13.9170 13.9170 14.2077 14.2077 14.2945 14.2945 14.6221 14.6221 15.0269 15.0269 18.3863 18.3863 18.6818 18.6818 k = 0.4375 0.5000 0.4375 ( 2276 PWs) bands (ev): 8.0758 8.0758 8.0885 8.0885 8.1131 8.1131 8.1615 8.1615 9.7920 9.7920 9.8099 9.8099 10.9032 10.9032 11.0781 11.0781 11.1215 11.1215 11.2537 11.2537 11.9027 11.9027 11.9368 11.9368 12.9286 12.9286 13.1367 13.1367 13.3323 13.3323 13.5319 13.5319 13.7238 13.7238 13.7988 13.7988 13.8214 13.8214 13.9099 13.9099 14.2184 14.2184 14.3016 14.3016 14.7397 14.7397 15.1207 15.1207 18.4060 18.4060 18.7143 18.7143 k = 0.4286 0.5000 0.4286 ( 2272 PWs) bands (ev): 8.0774 8.0774 8.1027 8.1027 8.1262 8.1262 8.1878 8.1878 9.7913 9.7913 9.8140 9.8140 10.9061 10.9061 11.0576 11.0576 11.1157 11.1157 11.2531 11.2531 11.8922 11.8922 11.9370 11.9370 12.8483 12.8483 13.0395 13.0395 13.2544 13.2544 13.4965 13.4965 13.6852 13.6852 13.7851 13.7851 13.8071 13.8071 13.9044 13.9044 14.2242 14.2242 14.3025 14.3025 14.8607 14.8607 15.2240 15.2240 18.4209 18.4209 18.7492 18.7492 k = 0.4196 0.5000 0.4196 ( 2268 PWs) bands (ev): 8.0790 8.0790 8.1181 8.1181 8.1415 8.1415 8.2174 8.2174 9.7905 9.7905 9.8182 9.8182 10.9094 10.9094 11.0338 11.0338 11.1086 11.1086 11.2533 11.2533 11.8801 11.8801 11.9369 11.9369 12.7597 12.7597 12.9429 12.9429 13.1780 13.1780 13.4509 13.4509 13.6511 13.6511 13.7731 13.7731 13.7962 13.7962 13.8997 13.8997 14.2255 14.2255 14.2987 14.2987 14.9846 14.9846 15.3346 15.3346 18.4320 18.4320 18.7843 18.7843 k = 0.4107 0.5000 0.4107 ( 2268 PWs) bands (ev): 8.0806 8.0806 8.1344 8.1344 8.1593 8.1593 8.2502 8.2502 9.7895 9.7895 9.8224 9.8224 10.9126 10.9126 11.0074 11.0074 11.1001 11.1001 11.2541 11.2541 11.8661 11.8661 11.9366 11.9366 12.6622 12.6622 12.8497 12.8497 13.1044 13.1044 13.3954 13.3954 13.6233 13.6233 13.7626 13.7626 13.7872 13.7872 13.8954 13.8954 14.2227 14.2227 14.2912 14.2912 15.1111 15.1111 15.4512 15.4512 18.4402 18.4402 18.8178 18.8178 k = 0.4018 0.5000 0.4018 ( 2260 PWs) bands (ev): 8.0822 8.0822 8.1515 8.1515 8.1796 8.1796 8.2860 8.2860 9.7884 9.7884 9.8264 9.8264 10.9148 10.9148 10.9798 10.9798 11.0903 11.0903 11.2547 11.2547 11.8502 11.8502 11.9358 11.9358 12.5559 12.5559 12.7623 12.7623 13.0346 13.0346 13.3324 13.3324 13.6012 13.6012 13.7531 13.7531 13.7791 13.7791 13.8913 13.8913 14.2164 14.2164 14.2808 14.2808 15.2400 15.2400 15.5726 15.5726 18.4464 18.4464 18.8487 18.8487 k = 0.3929 0.5000 0.3929 ( 2260 PWs) bands (ev): 8.0838 8.0838 8.1693 8.1693 8.2022 8.2022 8.3247 8.3247 9.7870 9.7870 9.8299 9.8299 10.9122 10.9122 10.9551 10.9551 11.0792 11.0792 11.2546 11.2546 11.8322 11.8322 11.9345 11.9345 12.4428 12.4428 12.6815 12.6815 12.9683 12.9683 13.2651 13.2651 13.5831 13.5831 13.7441 13.7441 13.7714 13.7714 13.8872 13.8872 14.2069 14.2069 14.2681 14.2681 15.3712 15.3712 15.6981 15.6981 18.4513 18.4513 18.8763 18.8763 k = 0.3839 0.5000 0.3839 ( 2252 PWs) bands (ev): 8.0853 8.0853 8.1879 8.1879 8.2271 8.2271 8.3661 8.3661 9.7854 9.7854 9.8327 9.8327 10.8946 10.8946 10.9435 10.9435 11.0669 11.0669 11.2526 11.2526 11.8118 11.8118 11.9323 11.9323 12.3260 12.3260 12.6074 12.6074 12.9057 12.9057 13.1963 13.1963 13.5675 13.5675 13.7355 13.7355 13.7640 13.7640 13.8830 13.8830 14.1947 14.1947 14.2533 14.2533 15.5045 15.5045 15.8270 15.8270 18.4553 18.4553 18.9007 18.9007 k = 0.3750 0.5000 0.3750 ( 2252 PWs) bands (ev): 8.0867 8.0867 8.2073 8.2073 8.2540 8.2540 8.4101 8.4101 9.7834 9.7834 9.8345 9.8345 10.8645 10.8645 10.9425 10.9425 11.0542 11.0542 11.2473 11.2473 11.7889 11.7889 11.9292 11.9292 12.2088 12.2088 12.5392 12.5392 12.8464 12.8464 13.1282 13.1282 13.5535 13.5535 13.7270 13.7270 13.7564 13.7564 13.8788 13.8788 14.1802 14.1802 14.2367 14.2367 15.6398 15.6398 15.9588 15.9588 18.4589 18.4589 18.9220 18.9220 k = 0.3661 0.5000 0.3661 ( 2260 PWs) bands (ev): 8.0879 8.0879 8.2275 8.2275 8.2827 8.2827 8.4564 8.4564 9.7811 9.7811 9.8351 9.8351 10.8302 10.8302 10.9426 10.9426 11.0420 11.0420 11.2371 11.2371 11.7628 11.7628 11.9250 11.9250 12.0954 12.0954 12.4768 12.4768 12.7900 12.7900 13.0626 13.0626 13.5405 13.5405 13.7185 13.7185 13.7486 13.7486 13.8744 13.8744 14.1637 14.1637 14.2184 14.2184 15.7770 15.7770 16.0933 16.0933 18.4622 18.4622 18.9407 18.9407 k = 0.3571 0.5000 0.3571 ( 2250 PWs) bands (ev): 8.0889 8.0889 8.2486 8.2486 8.3131 8.3131 8.5049 8.5049 9.7781 9.7781 9.8344 9.8344 10.7948 10.7948 10.9390 10.9390 11.0326 11.0326 11.2196 11.2196 11.7327 11.7327 11.9195 11.9195 11.9908 11.9908 12.4196 12.4196 12.7364 12.7364 13.0013 13.0013 13.5280 13.5280 13.7099 13.7099 13.7405 13.7405 13.8700 13.8700 14.1455 14.1455 14.1987 14.1987 15.9160 15.9160 16.2302 16.2302 18.4655 18.4655 18.9572 18.9572 k = 0.3482 0.5000 0.3482 ( 2262 PWs) bands (ev): 8.0896 8.0896 8.2703 8.2703 8.3451 8.3451 8.5554 8.5554 9.7745 9.7745 9.8321 9.8321 10.7593 10.7593 10.9280 10.9280 11.0282 11.0282 11.1920 11.1920 11.6963 11.6963 11.9002 11.9002 11.9142 11.9142 12.3671 12.3671 12.6853 12.6853 12.9454 12.9454 13.5159 13.5159 13.7011 13.7011 13.7320 13.7320 13.8654 13.8654 14.1260 14.1260 14.1776 14.1776 16.0568 16.0568 16.3693 16.3693 18.4691 18.4691 18.9720 18.9720 k = 0.3393 0.5000 0.3393 ( 2258 PWs) bands (ev): 8.0900 8.0900 8.2927 8.2927 8.3786 8.3786 8.6075 8.6075 9.7697 9.7697 9.8283 9.8283 10.7245 10.7245 10.9079 10.9079 11.0292 11.0292 11.1521 11.1521 11.6512 11.6512 11.8343 11.8343 11.9053 11.9053 12.3189 12.3189 12.6364 12.6364 12.8961 12.8961 13.5040 13.5040 13.6921 13.6921 13.7231 13.7231 13.8608 13.8608 14.1054 14.1054 14.1554 14.1554 16.1992 16.1992 16.5103 16.5103 18.4732 18.4732 18.9855 18.9855 k = 0.3304 0.5000 0.3304 ( 2258 PWs) bands (ev): 8.0899 8.0899 8.3157 8.3157 8.4134 8.4134 8.6612 8.6612 9.7635 9.7635 9.8230 9.8230 10.6908 10.6908 10.8787 10.8787 11.0335 11.0335 11.0990 11.0990 11.5999 11.5999 11.7914 11.7914 11.8961 11.8961 12.2741 12.2741 12.5898 12.5898 12.8540 12.8540 13.4921 13.4921 13.6828 13.6828 13.7138 13.7138 13.8561 13.8561 14.0839 14.0839 14.1321 14.1321 16.3431 16.3431 16.6532 16.6532 18.4778 18.4778 18.9982 18.9982 k = 0.3214 0.5000 0.3214 ( 2254 PWs) bands (ev): 8.0894 8.0894 8.3390 8.3390 8.4495 8.4495 8.7161 8.7161 9.7552 9.7552 9.8166 9.8166 10.6587 10.6587 10.8394 10.8394 11.0318 11.0318 11.0423 11.0423 11.5499 11.5499 11.7668 11.7668 11.8859 11.8859 12.2321 12.2321 12.5456 12.5456 12.8194 12.8194 13.4804 13.4804 13.6731 13.6731 13.7039 13.7039 13.8514 13.8514 14.0618 14.0618 14.1080 14.1080 16.4885 16.4885 16.7978 16.7978 18.4832 18.4832 19.0104 19.0104 k = 0.3125 0.5000 0.3125 ( 2254 PWs) bands (ev): 8.0882 8.0882 8.3626 8.3626 8.4866 8.4866 8.7720 8.7720 9.7440 9.7440 9.8098 9.8098 10.6284 10.6284 10.7868 10.7868 10.9675 10.9675 11.0429 11.0429 11.5072 11.5072 11.7543 11.7543 11.8748 11.8748 12.1926 12.1926 12.5040 12.5040 12.7921 12.7921 13.4687 13.4687 13.6631 13.6631 13.6935 13.6935 13.8467 13.8467 14.0392 14.0392 14.0832 14.0832 16.6354 16.6354 16.9439 16.9439 18.4895 18.4895 19.0225 19.0225 k = 0.3036 0.5000 0.3036 ( 2246 PWs) bands (ev): 8.0863 8.0863 8.3863 8.3863 8.5248 8.5248 8.8286 8.8286 9.7293 9.7293 9.8031 9.8031 10.5998 10.5998 10.7175 10.7175 10.9053 10.9053 11.0424 11.0424 11.4746 11.4746 11.7496 11.7496 11.8634 11.8634 12.1552 12.1552 12.4654 12.4654 12.7716 12.7716 13.4570 13.4570 13.6526 13.6526 13.6826 13.6826 13.8421 13.8421 14.0165 14.0165 14.0579 14.0579 16.7836 16.7836 17.0916 17.0916 18.4969 18.4969 19.0347 19.0347 k = 0.2946 0.5000 0.2946 ( 2246 PWs) bands (ev): 8.0836 8.0836 8.4100 8.4100 8.5637 8.5637 8.8856 8.8856 9.7108 9.7108 9.7969 9.7969 10.5715 10.5715 10.6340 10.6340 10.8513 10.8513 11.0359 11.0359 11.4530 11.4530 11.7502 11.7502 11.8520 11.8520 12.1199 12.1199 12.4298 12.4298 12.7571 12.7571 13.4455 13.4455 13.6416 13.6416 13.6712 13.6712 13.8376 13.8376 13.9936 13.9936 14.0323 14.0323 16.9330 16.9330 17.2407 17.2407 18.5056 18.5056 19.0475 19.0475 k = 0.2857 0.5000 0.2857 ( 2254 PWs) bands (ev): 8.0799 8.0799 8.4334 8.4334 8.6034 8.6034 8.9427 8.9427 9.6886 9.6886 9.7911 9.7911 10.5209 10.5209 10.5640 10.5640 10.8037 10.8037 11.0222 11.0222 11.4425 11.4425 11.7539 11.7539 11.8415 11.8415 12.0871 12.0871 12.3976 12.3976 12.7478 12.7478 13.4342 13.4342 13.6299 13.6299 13.6592 13.6592 13.8332 13.8332 13.9708 13.9708 14.0065 14.0065 17.0836 17.0836 17.3910 17.3910 18.5158 18.5158 19.0611 19.0611 k = 0.2768 0.5000 0.2768 ( 2242 PWs) bands (ev): 8.0753 8.0753 8.4563 8.4563 8.6436 8.6436 8.9996 8.9996 9.6632 9.6632 9.7858 9.7858 10.4246 10.4246 10.5364 10.5364 10.7599 10.7599 11.0013 11.0013 11.4420 11.4420 11.7587 11.7587 11.8329 11.8329 12.0574 12.0574 12.3689 12.3689 12.7427 12.7427 13.4231 13.4231 13.6177 13.6177 13.6470 13.6470 13.8290 13.8290 13.9485 13.9485 13.9807 13.9807 17.2353 17.2353 17.5427 17.5427 18.5276 18.5276 19.0757 19.0757 k = 0.2679 0.5000 0.2679 ( 2244 PWs) bands (ev): 8.0694 8.0694 8.4785 8.4785 8.6841 8.6841 9.0560 9.0560 9.6350 9.6350 9.7806 9.7806 10.3210 10.3210 10.5164 10.5164 10.7183 10.7183 10.9746 10.9746 11.4487 11.4487 11.7634 11.7634 11.8269 11.8269 12.0314 12.0314 12.3437 12.3437 12.7408 12.7408 13.4123 13.4123 13.6045 13.6045 13.6345 13.6345 13.8252 13.8252 13.9267 13.9267 13.9551 13.9551 17.3880 17.3880 17.6954 17.6954 18.5412 18.5412 19.0916 19.0916 k = 0.2589 0.5000 0.2589 ( 2244 PWs) bands (ev): 8.0622 8.0622 8.4998 8.4998 8.7248 8.7248 9.1113 9.1113 9.6049 9.6049 9.7755 9.7755 10.2171 10.2171 10.4990 10.4990 10.6783 10.6783 10.9439 10.9439 11.4594 11.4594 11.7678 11.7678 11.8234 11.8234 12.0105 12.0105 12.3222 12.3222 12.7412 12.7412 13.4021 13.4021 13.5903 13.5903 13.6220 13.6220 13.8216 13.8216 13.9057 13.9057 13.9299 13.9299 17.5416 17.5416 17.8493 17.8493 18.5570 18.5570 19.1091 19.1091 k = 0.2500 0.5000 0.2500 ( 2248 PWs) bands (ev): 8.0535 8.0535 8.5200 8.5200 8.7654 8.7654 9.1652 9.1652 9.5734 9.5734 9.7704 9.7704 10.1152 10.1152 10.4833 10.4833 10.6400 10.6400 10.9110 10.9110 11.4704 11.4704 11.7740 11.7740 11.8202 11.8202 11.9958 11.9958 12.3044 12.3044 12.7430 12.7430 13.3924 13.3924 13.5751 13.5751 13.6096 13.6096 13.8183 13.8183 13.8857 13.8857 13.9051 13.9051 17.6959 17.6959 18.0041 18.0041 18.5752 18.5752 19.1283 19.1283 k = 0.2411 0.5000 0.2411 ( 2236 PWs) bands (ev): 8.0432 8.0432 8.5387 8.5387 8.8057 8.8057 9.2170 9.2170 9.5417 9.5417 9.7650 9.7650 10.0167 10.0167 10.4688 10.4688 10.6034 10.6034 10.8774 10.8774 11.4783 11.4783 11.7849 11.7849 11.8146 11.8146 11.9885 11.9885 12.2906 12.2906 12.7455 12.7455 13.3835 13.3835 13.5590 13.5590 13.5976 13.5976 13.8152 13.8152 13.8672 13.8672 13.8809 13.8809 17.8507 17.8507 18.1599 18.1599 18.5961 18.5961 19.1495 19.1495 k = 0.2321 0.5000 0.2321 ( 2236 PWs) bands (ev): 8.0312 8.0312 8.5558 8.5558 8.8453 8.8453 9.2653 9.2653 9.5109 9.5109 9.7590 9.7590 9.9229 9.9229 10.4552 10.4552 10.5690 10.5690 10.8445 10.8445 11.4808 11.4808 11.8016 11.8016 11.8061 11.8061 11.9885 11.9885 12.2808 12.2808 12.7478 12.7478 13.3753 13.3753 13.5421 13.5421 13.5859 13.5859 13.8116 13.8116 13.8505 13.8505 13.8579 13.8579 18.0058 18.0058 18.3164 18.3164 18.6202 18.6202 19.1729 19.1729 k = 0.2232 0.5000 0.2232 ( 2236 PWs) bands (ev): 8.0173 8.0173 8.5710 8.5710 8.8838 8.8838 9.3077 9.3077 9.4837 9.4837 9.7509 9.7509 9.8365 9.8365 10.4418 10.4418 10.5373 10.5373 10.8132 10.8132 11.4772 11.4772 11.7916 11.7916 11.8276 11.8276 11.9941 11.9941 12.2753 12.2753 12.7495 12.7495 13.3682 13.3682 13.5245 13.5245 13.5747 13.5747 13.8062 13.8062 13.8327 13.8327 13.8406 13.8406 18.1606 18.1606 18.4736 18.4736 18.6482 18.6482 19.1988 19.1988 k = 0.2143 0.5000 0.2143 ( 2232 PWs) bands (ev): 8.0014 8.0014 8.5841 8.5841 8.9208 8.9208 9.3384 9.3384 9.4651 9.4651 9.7272 9.7272 9.7729 9.7729 10.4281 10.4281 10.5086 10.5086 10.7845 10.7845 11.4680 11.4680 11.7760 11.7760 11.8582 11.8582 12.0033 12.0033 12.2745 12.2745 12.7500 12.7500 13.3620 13.3620 13.5066 13.5066 13.5641 13.5641 13.7973 13.7973 13.8112 13.8112 13.8334 13.8334 18.3141 18.3141 18.6304 18.6304 18.6821 18.6821 19.2273 19.2273 k = 0.2054 0.5000 0.2054 ( 2236 PWs) bands (ev): 7.9835 7.9835 8.5949 8.5949 8.9554 8.9554 9.3483 9.3483 9.4620 9.4620 9.6681 9.6681 9.7551 9.7551 10.4133 10.4133 10.4839 10.4839 10.7588 10.7588 11.4544 11.4544 11.7590 11.7590 11.8927 11.8927 12.0139 12.0139 12.2784 12.2784 12.7490 12.7490 13.3567 13.3567 13.4887 13.4887 13.5544 13.5544 13.7856 13.7856 13.7901 13.7901 13.8319 13.8319 18.4639 18.4639 18.7193 18.7193 18.7920 18.7920 19.2587 19.2587 k = 0.1964 0.5000 0.1964 ( 2234 PWs) bands (ev): 7.9635 7.9635 8.6033 8.6033 8.9865 8.9865 9.3392 9.3392 9.4645 9.4645 9.6171 9.6171 9.7493 9.7493 10.3966 10.3966 10.4638 10.4638 10.7367 10.7367 11.4376 11.4376 11.7418 11.7418 11.9291 11.9291 12.0246 12.0246 12.2871 12.2871 12.7463 12.7463 13.3523 13.3523 13.4711 13.4711 13.5456 13.5456 13.7694 13.7694 13.7734 13.7734 13.8339 13.8339 18.6020 18.6020 18.7759 18.7759 18.9503 18.9503 19.2931 19.2931 k = 0.1875 0.5000 0.1875 ( 2234 PWs) bands (ev): 7.9415 7.9415 8.6092 8.6092 9.0126 9.0126 9.3239 9.3239 9.4442 9.4442 9.6002 9.6002 9.7467 9.7467 10.3775 10.3775 10.4488 10.4488 10.7185 10.7185 11.4185 11.4185 11.7250 11.7250 11.9657 11.9657 12.0344 12.0344 12.3001 12.3001 12.7422 12.7422 13.3484 13.3484 13.4542 13.4542 13.5380 13.5380 13.7499 13.7499 13.7609 13.7609 13.8384 13.8384 18.7087 18.7087 18.8671 18.8671 19.1096 19.1096 19.3308 19.3308 k = 0.1786 0.5000 0.1786 ( 2236 PWs) bands (ev): 7.9175 7.9175 8.6127 8.6127 9.0315 9.0315 9.3110 9.3110 9.3998 9.3998 9.6125 9.6125 9.7472 9.7472 10.3564 10.3564 10.4388 10.4388 10.7043 10.7043 11.3978 11.3978 11.7092 11.7092 12.0009 12.0009 12.0428 12.0428 12.3166 12.3166 12.7371 12.7371 13.3447 13.3447 13.4385 13.4385 13.5318 13.5318 13.7315 13.7315 13.7492 13.7492 13.8448 13.8448 18.7803 18.7803 18.9975 18.9975 19.2692 19.2692 19.3721 19.3721 k = 0.1696 0.5000 0.1696 ( 2236 PWs) bands (ev): 7.8916 7.8916 8.6136 8.6136 9.0413 9.0413 9.3043 9.3043 9.3493 9.3493 9.6329 9.6329 9.7523 9.7523 10.3341 10.3341 10.4329 10.4329 10.6937 10.6937 11.3760 11.3760 11.6946 11.6946 12.0337 12.0337 12.0500 12.0500 12.3349 12.3349 12.7318 12.7318 13.3403 13.3403 13.4245 13.4245 13.5272 13.5272 13.7144 13.7144 13.7382 13.7382 13.8532 13.8532 18.8392 18.8392 19.1446 19.1446 19.4168 19.4168 19.4292 19.4292 k = 0.1607 0.5000 0.1607 ( 2236 PWs) bands (ev): 7.8641 7.8641 8.6123 8.6123 9.0410 9.0410 9.2909 9.2909 9.3151 9.3151 9.6508 9.6508 9.7636 9.7636 10.3115 10.3115 10.4309 10.4309 10.6866 10.6866 11.3535 11.3535 11.6817 11.6817 12.0546 12.0546 12.0649 12.0649 12.3530 12.3530 12.7275 12.7275 13.3345 13.3345 13.4128 13.4128 13.5244 13.5244 13.6990 13.6990 13.7280 13.7280 13.8631 13.8631 18.8972 18.8972 19.2966 19.2966 19.4660 19.4660 19.5887 19.5887 k = 0.1518 0.5000 0.1518 ( 2236 PWs) bands (ev): 7.8353 7.8353 8.6087 8.6087 9.0319 9.0319 9.2473 9.2473 9.3224 9.3224 9.6629 9.6629 9.7817 9.7817 10.2890 10.2890 10.4323 10.4323 10.6825 10.6825 11.3306 11.3306 11.6706 11.6706 12.0595 12.0595 12.0915 12.0915 12.3683 12.3683 12.7258 12.7258 13.3268 13.3268 13.4034 13.4034 13.5231 13.5231 13.6859 13.6859 13.7188 13.7188 13.8746 13.8746 18.9579 18.9579 19.4484 19.4484 19.5205 19.5205 19.7482 19.7482 k = 0.1429 0.5000 0.1429 ( 2236 PWs) bands (ev): 7.8054 7.8054 8.6032 8.6032 9.0164 9.0164 9.2045 9.2045 9.3385 9.3385 9.6698 9.6698 9.8045 9.8045 10.2672 10.2672 10.4369 10.4369 10.6809 10.6809 11.3074 11.3074 11.6615 11.6615 12.0633 12.0633 12.1151 12.1151 12.3784 12.3784 12.7281 12.7281 13.3171 13.3171 13.3960 13.3960 13.5229 13.5229 13.6759 13.6759 13.7106 13.7106 13.8875 13.8875 19.0227 19.0227 19.5672 19.5672 19.6119 19.6119 19.9073 19.9073 k = 0.1339 0.5000 0.1339 ( 2228 PWs) bands (ev): 7.7748 7.7748 8.5961 8.5961 8.9972 8.9972 9.1654 9.1654 9.3580 9.3580 9.6738 9.6738 9.8294 9.8294 10.2463 10.2463 10.4445 10.4445 10.6814 10.6814 11.2842 11.2842 11.6545 11.6545 12.0663 12.0663 12.1356 12.1356 12.3814 12.3814 12.7357 12.7357 13.3057 13.3057 13.3898 13.3898 13.5228 13.5228 13.6701 13.6701 13.7037 13.7037 13.9014 13.9014 19.0926 19.0926 19.6322 19.6322 19.7603 19.7603 20.0657 20.0657 k = 0.1250 0.5000 0.1250 ( 2228 PWs) bands (ev): 7.7439 7.7439 8.5876 8.5876 8.9761 8.9761 9.1304 9.1304 9.3785 9.3785 9.6765 9.6765 9.8545 9.8545 10.2268 10.2268 10.4549 10.4549 10.6834 10.6834 11.2611 11.2611 11.6498 11.6498 12.0688 12.0688 12.1529 12.1529 12.3768 12.3768 12.7487 12.7487 13.2934 13.2934 13.3839 13.3839 13.5212 13.5212 13.6688 13.6688 13.6990 13.6990 13.9162 13.9162 19.1679 19.1679 19.6979 19.6979 19.9103 19.9103 20.2232 20.2232 k = 0.1161 0.5000 0.1161 ( 2228 PWs) bands (ev): 7.7132 7.7132 8.5780 8.5780 8.9544 8.9544 9.0992 9.0992 9.3988 9.3988 9.6788 9.6788 9.8788 9.8788 10.2088 10.2088 10.4678 10.4678 10.6867 10.6867 11.2382 11.2382 11.6474 11.6474 12.0708 12.0708 12.1672 12.1672 12.3649 12.3649 12.7666 12.7666 13.2806 13.2806 13.3776 13.3776 13.5172 13.5172 13.6701 13.6701 13.6993 13.6993 13.9315 13.9315 19.2490 19.2490 19.7673 19.7673 20.0582 20.0582 20.3793 20.3793 k = 0.1071 0.5000 0.1071 ( 2228 PWs) bands (ev): 7.6829 7.6829 8.5677 8.5677 8.9328 8.9328 9.0717 9.0717 9.4178 9.4178 9.6813 9.6813 9.9016 9.9016 10.1926 10.1926 10.4828 10.4828 10.6906 10.6906 11.2158 11.2158 11.6474 11.6474 12.0725 12.0725 12.1787 12.1787 12.3472 12.3472 12.7881 12.7881 13.2676 13.2676 13.3707 13.3707 13.5106 13.5106 13.6697 13.6697 13.7082 13.7082 13.9471 13.9471 19.3360 19.3360 19.8409 19.8409 20.2026 20.2026 20.5338 20.5338 k = 0.0982 0.5000 0.0982 ( 2248 PWs) bands (ev): 7.6536 7.6536 8.5569 8.5569 8.9121 8.9121 9.0475 9.0475 9.4350 9.4350 9.6841 9.6841 9.9226 9.9226 10.1783 10.1783 10.4997 10.4997 10.6950 10.6950 11.1940 11.1940 11.6496 11.6496 12.0737 12.0737 12.1877 12.1877 12.3249 12.3249 12.8121 12.8121 13.2547 13.2547 13.3628 13.3628 13.5019 13.5019 13.6666 13.6666 13.7253 13.7253 13.9625 13.9625 19.4291 19.4291 19.9186 19.9186 20.3426 20.3426 20.6859 20.6859 k = 0.0893 0.5000 0.0893 ( 2236 PWs) bands (ev): 7.6256 7.6256 8.5460 8.5460 8.8925 8.8925 9.0264 9.0264 9.4500 9.4500 9.6875 9.6875 9.9417 9.9417 10.1658 10.1658 10.5178 10.5178 10.6996 10.6996 11.1729 11.1729 11.6540 11.6540 12.0745 12.0745 12.1943 12.1943 12.2997 12.2997 12.8376 12.8376 13.2423 13.2423 13.3541 13.3541 13.4923 13.4923 13.6629 13.6629 13.7474 13.7474 13.9778 13.9778 19.5283 19.5283 20.0004 20.0004 20.4769 20.4769 20.8350 20.8350 k = 0.0804 0.5000 0.0804 ( 2240 PWs) bands (ev): 7.5993 7.5993 8.5353 8.5353 8.8742 8.8742 9.0082 9.0082 9.4628 9.4628 9.6912 9.6912 9.9590 9.9590 10.1553 10.1553 10.5369 10.5369 10.7041 10.7041 11.1527 11.1527 11.6606 11.6606 12.0747 12.0747 12.1989 12.1989 12.2727 12.2727 12.8639 12.8639 13.2301 13.2301 13.3444 13.3444 13.4823 13.4823 13.6590 13.6590 13.7721 13.7721 13.9923 13.9923 19.6335 19.6335 20.0859 20.0859 20.6040 20.6040 20.9799 20.9799 k = 0.0714 0.5000 0.0714 ( 2236 PWs) bands (ev): 7.5749 7.5749 8.5249 8.5249 8.8576 8.8576 8.9925 8.9925 9.4734 9.4734 9.6952 9.6952 9.9744 9.9744 10.1465 10.1465 10.5563 10.5563 10.7083 10.7083 11.1337 11.1337 11.6691 11.6691 12.0741 12.0741 12.2018 12.2018 12.2451 12.2451 12.8904 12.8904 13.2182 13.2182 13.3339 13.3339 13.4725 13.4725 13.6554 13.6554 13.7977 13.7977 14.0061 14.0061 19.7443 19.7443 20.1747 20.1747 20.7221 20.7221 21.1192 21.1192 k = 0.0625 0.5000 0.0625 ( 2240 PWs) bands (ev): 7.5527 7.5527 8.5153 8.5153 8.8426 8.8426 8.9793 8.9793 9.4818 9.4818 9.6991 9.6991 9.9882 9.9882 10.1393 10.1393 10.5755 10.5755 10.7122 10.7122 11.1159 11.1159 11.6791 11.6791 12.0726 12.0726 12.2030 12.2030 12.2184 12.2184 12.9169 12.9169 13.2065 13.2065 13.3229 13.3229 13.4634 13.4634 13.6520 13.6520 13.8228 13.8228 14.0188 14.0188 19.8602 19.8602 20.2661 20.2661 20.8290 20.8290 21.2507 21.2507 k = 0.0536 0.5000 0.0536 ( 2232 PWs) bands (ev): 7.5331 7.5331 8.5064 8.5064 8.8295 8.8295 8.9682 8.9682 9.4885 9.4885 9.7028 9.7028 10.0004 10.0004 10.1334 10.1334 10.5939 10.5939 10.7156 10.7156 11.0996 11.0996 11.6905 11.6905 12.0698 12.0698 12.1922 12.1922 12.2045 12.2045 12.9429 12.9429 13.1950 13.1950 13.3116 13.3116 13.4553 13.4553 13.6491 13.6491 13.8464 13.8464 14.0303 14.0303 19.9803 19.9803 20.3592 20.3592 20.9218 20.9218 21.3712 21.3712 k = 0.0446 0.5000 0.0446 ( 2236 PWs) bands (ev): 7.5161 7.5161 8.4987 8.4987 8.8182 8.8182 8.9590 8.9590 9.4935 9.4935 9.7062 9.7062 10.0110 10.0110 10.1287 10.1287 10.6109 10.6109 10.7185 10.7185 11.0851 11.0851 11.7025 11.7025 12.0651 12.0651 12.1705 12.1705 12.2040 12.2040 12.9682 12.9682 13.1833 13.1833 13.3004 13.3004 13.4483 13.4483 13.6466 13.6466 13.8677 13.8677 14.0402 14.0402 20.1030 20.1030 20.4522 20.4522 20.9970 20.9970 21.4757 21.4757 k = 0.0357 0.5000 0.0357 ( 2244 PWs) bands (ev): 7.5020 7.5020 8.4921 8.4921 8.8090 8.8090 8.9518 8.9518 9.4973 9.4973 9.7090 9.7090 10.0201 10.0201 10.1250 10.1250 10.6260 10.6260 10.7208 10.7208 11.0726 11.0726 11.7146 11.7146 12.0583 12.0583 12.1529 12.1529 12.2033 12.2033 12.9924 12.9924 13.1713 13.1713 13.2901 13.2901 13.4426 13.4426 13.6444 13.6444 13.8861 13.8861 14.0485 14.0485 20.2257 20.2257 20.5427 20.5427 21.0506 21.0506 21.5570 21.5570 k = 0.0268 0.5000 0.0268 ( 2244 PWs) bands (ev): 7.4908 7.4908 8.4869 8.4869 8.8017 8.8017 8.9463 8.9463 9.5000 9.5000 9.7112 9.7112 10.0274 10.0274 10.1220 10.1220 10.6385 10.6385 10.7226 10.7226 11.0624 11.0624 11.7258 11.7258 12.0498 12.0498 12.1403 12.1403 12.2025 12.2025 13.0150 13.0150 13.1590 13.1590 13.2813 13.2813 13.4382 13.4382 13.6428 13.6428 13.9009 13.9009 14.0550 14.0550 20.3440 20.3440 20.6265 20.6265 21.0789 21.0789 21.6065 21.6065 k = 0.0179 0.5000 0.0179 ( 2240 PWs) bands (ev): 7.4828 7.4828 8.4831 8.4831 8.7965 8.7965 8.9424 8.9424 9.5018 9.5018 9.7128 9.7128 10.0329 10.0329 10.1199 10.1199 10.6479 10.6479 10.7238 10.7238 11.0548 11.0548 11.7351 11.7351 12.0413 12.0413 12.1323 12.1323 12.2018 12.2018 13.0348 13.0348 13.1469 13.1469 13.2745 13.2745 13.4350 13.4350 13.6418 13.6418 13.9117 13.9117 14.0598 14.0598 20.4500 20.4500 20.6972 20.6972 21.0818 21.0818 21.6214 21.6214 k = 0.0089 0.5000 0.0089 ( 2240 PWs) bands (ev): 7.4780 7.4780 8.4808 8.4808 8.7934 8.7934 8.9401 8.9401 9.5028 9.5028 9.7137 9.7137 10.0363 10.0363 10.1185 10.1185 10.6538 10.6538 10.7246 10.7246 11.0502 11.0502 11.7413 11.7413 12.0350 12.0350 12.1281 12.1281 12.2013 12.2013 13.0498 13.0498 13.1368 13.1368 13.2702 13.2702 13.4331 13.4331 13.6411 13.6411 13.9183 13.9183 14.0627 14.0627 20.5288 20.5288 20.7461 20.7461 21.0688 21.0688 21.6152 21.6152 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): 7.4763 7.4763 8.4800 8.4800 8.7923 8.7923 8.9393 8.9393 9.5031 9.5031 9.7140 9.7140 10.0375 10.0375 10.1181 10.1181 10.6557 10.6557 10.7248 10.7248 11.0486 11.0486 11.7435 11.7435 12.0327 12.0327 12.1267 12.1267 12.2011 12.2011 13.0557 13.0557 13.1325 13.1325 13.2687 13.2687 13.4325 13.4325 13.6409 13.6409 13.9206 13.9206 14.0637 14.0637 20.5593 20.5593 20.7639 20.7639 21.0600 21.0600 21.6098 21.6098 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): 8.7812 8.7812 8.8078 8.8078 9.3909 9.3909 9.4960 9.4960 9.5339 9.5339 9.5930 9.5930 10.1389 10.1389 10.2700 10.2700 10.3395 10.3395 10.6786 10.6786 11.3998 11.3998 11.4369 11.4369 11.5038 11.5038 11.6835 11.6835 12.3416 12.3416 12.4925 12.4925 12.4946 12.4946 13.2749 13.2749 13.3538 13.3538 13.4318 13.4318 14.7620 14.7620 15.3191 15.3191 15.4075 15.4075 15.4567 15.4567 23.6178 23.6178 24.1516 24.1516 k = 0.5000 0.5000 0.0125 ( 2216 PWs) bands (ev): 8.7794 8.7794 8.8061 8.8061 9.3740 9.3740 9.4751 9.4751 9.5486 9.5486 9.6096 9.6096 10.1418 10.1418 10.2741 10.2741 10.3420 10.3420 10.6817 10.6817 11.4006 11.4006 11.4389 11.4389 11.5009 11.5009 11.6843 11.6843 12.3441 12.3441 12.4912 12.4912 12.4962 12.4962 13.2764 13.2764 13.3546 13.3546 13.4325 13.4325 14.7620 14.7620 15.3185 15.3185 15.4071 15.4071 15.4566 15.4566 23.5924 23.5924 24.1072 24.1072 k = 0.5000 0.5000 0.0250 ( 2216 PWs) bands (ev): 8.7742 8.7742 8.8010 8.8010 9.3351 9.3351 9.4319 9.4319 9.5807 9.5807 9.6403 9.6403 10.1507 10.1507 10.2864 10.2864 10.3496 10.3496 10.6907 10.6907 11.4031 11.4031 11.4447 11.4447 11.4925 11.4925 11.6865 11.6865 12.3513 12.3513 12.4873 12.4873 12.5010 12.5010 13.2808 13.2808 13.3571 13.3571 13.4343 13.4343 14.7619 14.7619 15.3167 15.3167 15.4060 15.4060 15.4563 15.4563 23.5206 23.5206 23.9793 23.9793 k = 0.5000 0.5000 0.0375 ( 2224 PWs) bands (ev): 8.7655 8.7655 8.7926 8.7926 9.2875 9.2875 9.3811 9.3811 9.6170 9.6170 9.6704 9.6704 10.1656 10.1656 10.3063 10.3063 10.3623 10.3623 10.7056 10.7056 11.4076 11.4076 11.4542 11.4542 11.4792 11.4792 11.6899 11.6899 12.3627 12.3627 12.4809 12.4809 12.5090 12.5090 13.2879 13.2879 13.3612 13.3612 13.4374 13.4374 14.7617 14.7617 15.3136 15.3136 15.4040 15.4040 15.4559 15.4559 23.4124 23.4124 23.7937 23.7937 k = 0.5000 0.5000 0.0500 ( 2228 PWs) bands (ev): 8.7537 8.7537 8.7810 8.7810 9.2361 9.2361 9.3270 9.3270 9.6526 9.6526 9.6962 9.6962 10.1862 10.1862 10.3332 10.3332 10.3802 10.3802 10.7259 10.7259 11.4145 11.4145 11.4620 11.4620 11.4670 11.4670 11.6944 11.6944 12.3775 12.3775 12.4722 12.4722 12.5211 12.5211 13.2976 13.2976 13.3668 13.3668 13.4416 13.4416 14.7614 14.7614 15.3094 15.3094 15.4012 15.4012 15.4553 15.4553 23.2782 23.2782 23.5811 23.5811 k = 0.5000 0.5000 0.0625 ( 2228 PWs) bands (ev): 8.7389 8.7389 8.7666 8.7666 9.1828 9.1828 9.2711 9.2711 9.6855 9.6855 9.7172 9.7172 10.2120 10.2120 10.3665 10.3665 10.4033 10.4033 10.7512 10.7512 11.4241 11.4241 11.4416 11.4416 11.4831 11.4831 11.6998 11.6998 12.3945 12.3945 12.4615 12.4615 12.5373 12.5373 13.3096 13.3096 13.3741 13.3741 13.4472 13.4472 14.7610 14.7610 15.3040 15.3040 15.3976 15.3976 15.4544 15.4544 23.1263 23.1263 23.3579 23.3579 k = 0.5000 0.5000 0.0750 ( 2228 PWs) bands (ev): 8.7215 8.7215 8.7494 8.7494 9.1287 9.1287 9.2143 9.2143 9.7150 9.7150 9.7336 9.7336 10.2421 10.2421 10.4050 10.4050 10.4312 10.4312 10.7811 10.7811 11.4189 11.4189 11.4365 11.4365 11.5023 11.5023 11.7062 11.7062 12.4128 12.4128 12.4490 12.4490 12.5581 12.5581 13.3238 13.3238 13.3828 13.3828 13.4539 13.4539 14.7604 14.7604 15.2974 15.2974 15.3931 15.3931 15.4532 15.4532 22.9624 22.9624 23.1309 23.1309 k = 0.5000 0.5000 0.0875 ( 2228 PWs) bands (ev): 8.7016 8.7016 8.7298 8.7298 9.0742 9.0742 9.1572 9.1572 9.7408 9.7408 9.7462 9.7462 10.2755 10.2755 10.4480 10.4480 10.4636 10.4636 10.8151 10.8151 11.3948 11.3948 11.4522 11.4522 11.5246 11.5246 11.7136 11.7136 12.4318 12.4318 12.4351 12.4351 12.5836 12.5836 13.3396 13.3396 13.3930 13.3930 13.4619 13.4619 14.7597 14.7597 15.2896 15.2896 15.3877 15.3877 15.4516 15.4516 22.7902 22.7902 22.9032 22.9032 k = 0.5000 0.5000 0.1000 ( 2224 PWs) bands (ev): 8.6797 8.6797 8.7080 8.7080 9.0199 9.0199 9.1002 9.1002 9.7558 9.7558 9.7630 9.7630 10.3115 10.3115 10.4942 10.4942 10.4997 10.4997 10.8526 10.8526 11.3698 11.3698 11.4713 11.4713 11.5501 11.5501 11.7224 11.7224 12.4202 12.4202 12.4511 12.4511 12.6135 12.6135 13.3568 13.3568 13.4045 13.4045 13.4710 13.4710 14.7588 14.7588 15.2806 15.2806 15.3813 15.3813 15.4496 15.4496 22.6122 22.6122 22.6764 22.6764 k = 0.5000 0.5000 0.1125 ( 2224 PWs) bands (ev): 8.6561 8.6561 8.6844 8.6844 8.9660 8.9660 9.0436 9.0436 9.7632 9.7632 9.7818 9.7818 10.3492 10.3492 10.5388 10.5388 10.5426 10.5426 10.8932 10.8932 11.3447 11.3447 11.4940 11.4940 11.5788 11.5788 11.7329 11.7329 12.4044 12.4044 12.4708 12.4708 12.6472 12.6472 13.3751 13.3751 13.4172 13.4172 13.4813 13.4813 14.7578 14.7578 15.2702 15.2702 15.3738 15.3738 15.4471 15.4471 22.4302 22.4302 22.4514 22.4514 k = 0.5000 0.5000 0.1250 ( 2232 PWs) bands (ev): 8.6310 8.6310 8.6593 8.6593 8.9127 8.9127 8.9876 8.9876 9.7689 9.7689 9.7975 9.7975 10.3883 10.3883 10.5798 10.5798 10.5920 10.5920 10.9361 10.9361 11.3200 11.3200 11.5205 11.5205 11.6108 11.6108 11.7454 11.7454 12.3883 12.3883 12.4911 12.4911 12.6842 12.6842 13.3942 13.3942 13.4309 13.4309 13.4928 13.4928 14.7564 14.7564 15.2585 15.2585 15.3652 15.3652 15.4440 15.4440 22.2290 22.2290 22.2454 22.2454 k = 0.5000 0.5000 0.1375 ( 2232 PWs) bands (ev): 8.6047 8.6047 8.6329 8.6329 8.8602 8.8602 8.9326 8.9326 9.7733 9.7733 9.8107 9.8107 10.4281 10.4281 10.6218 10.6218 10.6416 10.6416 10.9809 10.9809 11.2966 11.2966 11.5509 11.5509 11.6462 11.6462 11.7603 11.7603 12.3720 12.3720 12.5124 12.5124 12.7237 12.7237 13.4137 13.4137 13.4458 13.4458 13.5055 13.5055 14.7548 14.7548 15.2454 15.2454 15.3554 15.3554 15.4403 15.4403 22.0094 22.0094 22.0589 22.0589 k = 0.5000 0.5000 0.1500 ( 2232 PWs) bands (ev): 8.5776 8.5776 8.6055 8.6055 8.8088 8.8088 8.8785 8.8785 9.7770 9.7770 9.8215 9.8215 10.4685 10.4685 10.6636 10.6636 10.6905 10.6905 11.0265 11.0265 11.2753 11.2753 11.5853 11.5853 11.6852 11.6852 11.7779 11.7779 12.3560 12.3560 12.5351 12.5351 12.7652 12.7652 13.4336 13.4336 13.4616 13.4616 13.5194 13.5194 14.7528 14.7528 15.2308 15.2308 15.3443 15.3443 15.4358 15.4358 21.7932 21.7932 21.8715 21.8715 k = 0.5000 0.5000 0.1625 ( 2264 PWs) bands (ev): 8.5499 8.5499 8.5773 8.5773 8.7584 8.7584 8.8256 8.8256 9.7800 9.7800 9.8303 9.8303 10.5090 10.5090 10.7044 10.7044 10.7379 10.7379 11.0709 11.0709 11.2580 11.2580 11.6233 11.6233 11.7279 11.7279 11.7987 11.7987 12.3407 12.3407 12.5594 12.5594 12.8081 12.8081 13.4532 13.4532 13.4780 13.4780 13.5343 13.5343 14.7502 14.7502 15.2148 15.2148 15.3317 15.3317 15.4305 15.4305 21.5806 21.5806 21.6841 21.6841 k = 0.5000 0.5000 0.1750 ( 2252 PWs) bands (ev): 8.5218 8.5218 8.5487 8.5487 8.7092 8.7092 8.7740 8.7740 9.7825 9.7825 9.8374 9.8374 10.5495 10.5495 10.7432 10.7432 10.7832 10.7832 11.1098 11.1098 11.2492 11.2492 11.6648 11.6648 11.7746 11.7746 11.8230 11.8230 12.3267 12.3267 12.5858 12.5858 12.8520 12.8520 13.4729 13.4729 13.4954 13.4954 13.5505 13.5505 14.7474 14.7474 15.1972 15.1972 15.3176 15.3176 15.4243 15.4243 21.3720 21.3720 21.4975 21.4975 k = 0.5000 0.5000 0.1875 ( 2252 PWs) bands (ev): 8.4935 8.4935 8.5198 8.5198 8.6614 8.6614 8.7238 8.7238 9.7847 9.7847 9.8429 9.8429 10.5896 10.5896 10.7792 10.7792 10.8262 10.8262 11.1343 11.1343 11.2574 11.2574 11.7090 11.7090 11.8254 11.8254 11.8512 11.8512 12.3145 12.3145 12.6145 12.6145 12.8965 12.8965 13.4921 13.4921 13.5133 13.5133 13.5677 13.5677 14.7440 14.7440 15.1779 15.1779 15.3018 15.3018 15.4170 15.4170 21.1676 21.1676 21.3123 21.3123 k = 0.5000 0.5000 0.2000 ( 2252 PWs) bands (ev): 8.4652 8.4652 8.4908 8.4908 8.6149 8.6149 8.6751 8.6751 9.7865 9.7865 9.8471 9.8471 10.6293 10.6293 10.8118 10.8118 10.8665 10.8665 11.1396 11.1396 11.2874 11.2874 11.7549 11.7549 11.8806 11.8806 11.8835 11.8835 12.3050 12.3050 12.6457 12.6457 12.9414 12.9414 13.5109 13.5109 13.5316 13.5316 13.5859 13.5859 14.7399 14.7399 15.1568 15.1568 15.2841 15.2841 15.4085 15.4085 20.9677 20.9677 21.1292 21.1292 k = 0.5000 0.5000 0.2125 ( 2252 PWs) bands (ev): 8.4372 8.4372 8.4620 8.4620 8.5700 8.5700 8.6280 8.6280 9.7882 9.7882 9.8501 9.8501 10.6682 10.6682 10.8405 10.8405 10.9041 10.9041 11.1339 11.1339 11.3308 11.3308 11.8013 11.8013 11.9201 11.9201 11.9399 11.9399 12.2995 12.2995 12.6797 12.6797 12.9864 12.9864 13.5292 13.5292 13.5503 13.5503 13.6047 13.6047 14.7351 14.7351 15.1339 15.1339 15.2645 15.2645 15.3987 15.3987 20.7726 20.7726 20.9490 20.9490 k = 0.5000 0.5000 0.2250 ( 2268 PWs) bands (ev): 8.4094 8.4094 8.4334 8.4334 8.5265 8.5265 8.5825 8.5825 9.7896 9.7896 9.8519 9.8519 10.7061 10.7061 10.8649 10.8649 10.9391 10.9391 11.1249 11.1249 11.3794 11.3794 11.8464 11.8464 11.9610 11.9610 12.0032 12.0032 12.2996 12.2996 12.7165 12.7165 13.0313 13.0313 13.5470 13.5470 13.5691 13.5691 13.6240 13.6240 14.7295 14.7295 15.1090 15.1090 15.2427 15.2427 15.3876 15.3876 20.5826 20.5826 20.7720 20.7720 k = 0.5000 0.5000 0.2375 ( 2268 PWs) bands (ev): 8.3821 8.3821 8.4052 8.4052 8.4847 8.4847 8.5387 8.5387 9.7908 9.7908 9.8527 9.8527 10.7430 10.7430 10.8849 10.8849 10.9715 10.9715 11.1161 11.1161 11.4294 11.4294 11.8881 11.8881 12.0064 12.0064 12.0700 12.0700 12.3079 12.3079 12.7564 12.7564 13.0759 13.0759 13.5645 13.5645 13.5881 13.5881 13.6436 13.6436 14.7229 14.7229 15.0821 15.0821 15.2186 15.2186 15.3748 15.3748 20.3979 20.3979 20.5990 20.5990 k = 0.5000 0.5000 0.2500 ( 2268 PWs) bands (ev): 8.3555 8.3555 8.3776 8.3776 8.4446 8.4446 8.4966 8.4966 9.7919 9.7919 9.8526 9.8526 10.7787 10.7787 10.9004 10.9004 11.0015 11.0015 11.1089 11.1089 11.4792 11.4792 11.9240 11.9240 12.0563 12.0563 12.1391 12.1391 12.3274 12.3274 12.7995 12.7995 13.1200 13.1200 13.5816 13.5816 13.6072 13.6072 13.6633 13.6633 14.7152 14.7152 15.0530 15.0530 15.1920 15.1920 15.3604 15.3604 20.2189 20.2189 20.4304 20.4304 k = 0.5000 0.5000 0.2625 ( 2276 PWs) bands (ev): 8.3296 8.3296 8.3508 8.3508 8.4062 8.4062 8.4564 8.4564 9.7927 9.7927 9.8516 9.8516 10.8129 10.8129 10.9117 10.9117 11.0294 11.0294 11.1037 11.1037 11.5276 11.5276 11.9519 11.9519 12.1104 12.1104 12.2094 12.2094 12.3609 12.3609 12.8455 12.8455 13.1637 13.1637 13.5982 13.5982 13.6261 13.6261 13.6829 13.6829 14.7063 14.7063 15.0215 15.0215 15.1626 15.1626 15.3442 15.3442 20.0458 20.0458 20.2667 20.2667 k = 0.5000 0.5000 0.2750 ( 2276 PWs) bands (ev): 8.3045 8.3045 8.3247 8.3247 8.3696 8.3696 8.4180 8.4180 9.7935 9.7935 9.8498 9.8498 10.8458 10.8458 10.9191 10.9191 11.0551 11.0551 11.1007 11.1007 11.5739 11.5739 11.9710 11.9710 12.1686 12.1686 12.2798 12.2798 12.4100 12.4100 12.8946 12.8946 13.2067 13.2067 13.6146 13.6146 13.6449 13.6449 13.7022 13.7022 14.6960 14.6960 14.9877 14.9877 15.1303 15.1303 15.3259 15.3259 19.8789 19.8789 20.1084 20.1084 k = 0.5000 0.5000 0.2875 ( 2276 PWs) bands (ev): 8.2803 8.2803 8.2995 8.2995 8.3348 8.3348 8.3814 8.3814 9.7941 9.7941 9.8474 9.8474 10.8770 10.8770 10.9231 10.9231 11.0791 11.0791 11.0997 11.0997 11.6176 11.6176 11.9820 11.9820 12.2308 12.2308 12.3503 12.3503 12.4733 12.4733 12.9466 12.9466 13.2492 13.2492 13.6307 13.6307 13.6636 13.6636 13.7210 13.7210 14.6841 14.6841 14.9515 14.9515 15.0949 15.0949 15.3056 15.3056 19.7186 19.7186 19.9559 19.9559 k = 0.5000 0.5000 0.3000 ( 2284 PWs) bands (ev): 8.2571 8.2571 8.2752 8.2752 8.3019 8.3019 8.3469 8.3469 9.7945 9.7945 9.8444 9.8444 10.9066 10.9066 10.9246 10.9246 11.1004 11.1004 11.1013 11.1013 11.6583 11.6583 11.9869 11.9869 12.2963 12.2963 12.4221 12.4221 12.5474 12.5474 13.0008 13.0008 13.2912 13.2912 13.6463 13.6463 13.6818 13.6818 13.7393 13.7393 14.6705 14.6705 14.9126 14.9126 15.0562 15.0562 15.2830 15.2830 19.5651 19.5651 19.8097 19.8097 k = 0.5000 0.5000 0.3125 ( 2272 PWs) bands (ev): 8.2350 8.2350 8.2518 8.2518 8.2711 8.2711 8.3142 8.3142 9.7948 9.7948 9.8409 9.8409 10.9241 10.9241 10.9345 10.9345 11.1022 11.1022 11.1220 11.1220 11.6959 11.6959 11.9874 11.9874 12.3650 12.3650 12.4962 12.4962 12.6286 12.6286 13.0573 13.0573 13.3328 13.3328 13.6617 13.6617 13.6997 13.6997 13.7570 13.7570 14.6550 14.6550 14.8712 14.8712 15.0141 15.0141 15.2580 15.2580 19.4187 19.4187 19.6702 19.6702 k = 0.5000 0.5000 0.3250 ( 2272 PWs) bands (ev): 8.2140 8.2140 8.2293 8.2293 8.2425 8.2425 8.2836 8.2836 9.7951 9.7951 9.8370 9.8370 10.9224 10.9224 10.9606 10.9606 11.1048 11.1048 11.1411 11.1411 11.7303 11.7303 11.9851 11.9851 12.4362 12.4362 12.5732 12.5732 12.7145 12.7145 13.1150 13.1150 13.3743 13.3743 13.6767 13.6767 13.7172 13.7172 13.7740 13.7740 14.6372 14.6372 14.8271 14.8271 14.9683 14.9683 15.2306 15.2306 19.2796 19.2796 19.5377 19.5377 k = 0.5000 0.5000 0.3375 ( 2268 PWs) bands (ev): 8.1942 8.1942 8.2071 8.2071 8.2167 8.2167 8.2550 8.2550 9.7952 9.7952 9.8329 9.8329 10.9199 10.9199 10.9850 10.9850 11.1078 11.1078 11.1588 11.1588 11.7615 11.7615 11.9811 11.9811 12.5094 12.5094 12.6531 12.6531 12.8032 12.8032 13.1733 13.1733 13.4162 13.4162 13.6912 13.6912 13.7342 13.7342 13.7902 13.7902 14.6171 14.6171 14.7802 14.7802 14.9189 14.9189 15.2006 15.2006 19.1481 19.1481 19.4128 19.4128 k = 0.5000 0.5000 0.3500 ( 2268 PWs) bands (ev): 8.1757 8.1757 8.1844 8.1844 8.1946 8.1946 8.2285 8.2285 9.7952 9.7952 9.8285 9.8285 10.9170 10.9170 11.0075 11.0075 11.1111 11.1111 11.1752 11.1752 11.7897 11.7897 11.9762 11.9762 12.5840 12.5840 12.7356 12.7356 12.8934 12.8934 13.2310 13.2310 13.4591 13.4591 13.7055 13.7055 13.7507 13.7507 13.8056 13.8056 14.5943 14.5943 14.7307 14.7307 14.8657 14.8657 15.1682 15.1682 19.0245 19.0245 19.2956 19.2956 k = 0.5000 0.5000 0.3625 ( 2268 PWs) bands (ev): 8.1584 8.1584 8.1621 8.1621 8.1756 8.1756 8.2040 8.2040 9.7952 9.7952 9.8241 9.8241 10.9138 10.9138 11.0282 11.0282 11.1144 11.1144 11.1903 11.1903 11.8148 11.8148 11.9708 11.9708 12.6594 12.6594 12.8205 12.8205 12.9844 12.9844 13.2869 13.2869 13.5036 13.5036 13.7194 13.7194 13.7669 13.7669 13.8201 13.8201 14.5687 14.5687 14.6785 14.6785 14.8086 14.8086 15.1332 15.1332 18.9089 18.9089 19.1867 19.1867 k = 0.5000 0.5000 0.3750 ( 2276 PWs) bands (ev): 8.1411 8.1411 8.1424 8.1424 8.1585 8.1585 8.1817 8.1817 9.7951 9.7951 9.8197 9.8197 10.9107 10.9107 11.0470 11.0470 11.1175 11.1175 11.2040 11.2040 11.8372 11.8372 11.9653 11.9653 12.7346 12.7346 12.9073 12.9073 13.0750 13.0750 13.3397 13.3397 13.5507 13.5507 13.7331 13.7331 13.7828 13.7828 13.8337 13.8337 14.5399 14.5399 14.6238 14.6238 14.7478 14.7478 15.0959 15.0959 18.8018 18.8018 19.0863 19.0863 k = 0.5000 0.5000 0.3875 ( 2268 PWs) bands (ev): 8.1218 8.1218 8.1278 8.1278 8.1432 8.1432 8.1615 8.1615 9.7950 9.7950 9.8155 9.8155 10.9077 10.9077 11.0640 11.0640 11.1206 11.1206 11.2165 11.2165 11.8569 11.8569 11.9601 11.9601 12.8088 12.8088 12.9956 12.9956 13.1646 13.1646 13.3884 13.3884 13.6006 13.6006 13.7470 13.7470 13.7987 13.7987 13.8464 13.8464 14.5078 14.5078 14.5666 14.5666 14.6835 14.6835 15.0565 15.0565 18.7032 18.7032 18.9947 18.9947 k = 0.5000 0.5000 0.4000 ( 2268 PWs) bands (ev): 8.1045 8.1045 8.1145 8.1145 8.1295 8.1295 8.1435 8.1435 9.7949 9.7949 9.8114 9.8114 10.9049 10.9049 11.0791 11.0791 11.1235 11.1235 11.2276 11.2276 11.8742 11.8742 11.9551 11.9551 12.8810 12.8810 13.0847 13.0847 13.2521 13.2521 13.4325 13.4325 13.6529 13.6529 13.7614 13.7614 13.8150 13.8150 13.8584 13.8584 14.4722 14.4722 14.5073 14.5073 14.6158 14.6158 15.0154 15.0154 18.6135 18.6135 18.9121 18.9121 k = 0.5000 0.5000 0.4125 ( 2276 PWs) bands (ev): 8.0891 8.0891 8.1026 8.1026 8.1174 8.1174 8.1276 8.1276 9.7947 9.7947 9.8076 9.8076 10.9024 10.9024 11.0924 11.0924 11.1261 11.1261 11.2375 11.2375 11.8890 11.8890 11.9506 11.9506 12.9498 12.9498 13.1742 13.1742 13.3361 13.3361 13.4722 13.4722 13.7065 13.7065 13.7768 13.7768 13.8325 13.8325 13.8697 13.8697 14.4327 14.4327 14.4461 14.4461 14.5451 14.5451 14.9731 14.9731 18.5330 18.5330 18.8388 18.8388 k = 0.5000 0.5000 0.4250 ( 2276 PWs) bands (ev): 8.0757 8.0757 8.0922 8.0922 8.1068 8.1068 8.1140 8.1140 9.7945 9.7945 9.8042 9.8042 10.9001 10.9001 11.1039 11.1039 11.1285 11.1285 11.2461 11.2461 11.9016 11.9016 11.9467 11.9467 13.0140 13.0140 13.2630 13.2630 13.4149 13.4149 13.5081 13.5081 13.7587 13.7587 13.7946 13.7946 13.8526 13.8526 13.8806 13.8806 14.3835 14.3835 14.3892 14.3892 14.4723 14.4723 14.9305 14.9305 18.4621 18.4621 18.7750 18.7750 k = 0.5000 0.5000 0.4375 ( 2272 PWs) bands (ev): 8.0644 8.0644 8.0831 8.0831 8.0979 8.0979 8.1027 8.1027 9.7944 9.7944 9.8012 9.8012 10.8982 10.8982 11.1136 11.1136 11.1305 11.1305 11.2534 11.2534 11.9121 11.9121 11.9432 11.9432 13.0717 13.0717 13.3500 13.3500 13.4859 13.4859 13.5408 13.5408 13.8063 13.8063 13.8164 13.8164 13.8775 13.8775 13.8916 13.8916 14.3201 14.3201 14.3410 14.3410 14.3986 14.3986 14.8887 14.8887 18.4012 18.4012 18.7208 18.7208 k = 0.5000 0.5000 0.4500 ( 2272 PWs) bands (ev): 8.0550 8.0550 8.0756 8.0756 8.0905 8.0905 8.0934 8.0934 9.7942 9.7942 9.7986 9.7986 10.8966 10.8966 11.1214 11.1214 11.1323 11.1323 11.2594 11.2594 11.9206 11.9206 11.9404 11.9404 13.1215 13.1215 13.4331 13.4331 13.5461 13.5461 13.5702 13.5702 13.8444 13.8444 13.8466 13.8466 13.9035 13.9035 13.9088 13.9088 14.2566 14.2566 14.2866 14.2866 14.3270 14.3270 14.8493 14.8493 18.3507 18.3507 18.6763 18.6763 k = 0.5000 0.5000 0.4625 ( 2272 PWs) bands (ev): 8.0478 8.0478 8.0696 8.0696 8.0848 8.0848 8.0864 8.0864 9.7941 9.7941 9.7966 9.7966 10.8953 10.8953 11.1276 11.1276 11.1336 11.1336 11.2640 11.2640 11.9271 11.9271 11.9382 11.9382 13.1616 13.1616 13.5093 13.5093 13.5923 13.5923 13.5956 13.5956 13.8803 13.8803 13.8817 13.8817 13.9182 13.9182 13.9430 13.9430 14.1942 14.1942 14.2234 14.2234 14.2624 14.2624 14.8144 14.8144 18.3109 18.3109 18.6416 18.6416 k = 0.5000 0.5000 0.4750 ( 2272 PWs) bands (ev): 8.0426 8.0426 8.0653 8.0653 8.0807 8.0807 8.0814 8.0814 9.7940 9.7940 9.7951 9.7951 10.8944 10.8944 11.1319 11.1319 11.1346 11.1346 11.2674 11.2674 11.9317 11.9317 11.9367 11.9367 13.1910 13.1910 13.5731 13.5731 13.6154 13.6154 13.6235 13.6235 13.9169 13.9169 13.9221 13.9221 13.9392 13.9392 13.9732 13.9732 14.1345 14.1345 14.1550 14.1550 14.2055 14.2055 14.7865 14.7865 18.2822 18.2822 18.6168 18.6168 k = 0.5000 0.5000 0.4875 ( 2272 PWs) bands (ev): 8.0395 8.0395 8.0626 8.0626 8.0782 8.0782 8.0784 8.0784 9.7939 9.7939 9.7942 9.7942 10.8939 10.8939 11.1345 11.1345 11.1352 11.1352 11.2694 11.2694 11.9345 11.9345 11.9357 11.9357 13.2089 13.2089 13.6169 13.6169 13.6282 13.6282 13.6410 13.6410 13.9535 13.9535 13.9583 13.9583 13.9733 13.9733 13.9936 13.9936 14.0814 14.0814 14.0907 14.0907 14.1579 14.1579 14.7683 14.7683 18.2649 18.2649 18.6020 18.6020 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): 8.0385 8.0385 8.0617 8.0617 8.0774 8.0774 8.0774 8.0774 9.7939 9.7939 9.7939 9.7939 10.8937 10.8937 11.1354 11.1354 11.1354 11.1354 11.2701 11.2701 11.9354 11.9354 11.9354 11.9354 13.2148 13.2148 13.6326 13.6326 13.6326 13.6326 13.6466 13.6466 13.9765 13.9765 13.9765 13.9765 14.0008 14.0008 14.0008 14.0008 14.0526 14.0526 14.0526 14.0526 14.1356 14.1356 14.7619 14.7619 18.2591 18.2591 18.5970 18.5970 Writing output data file CuAu3.save init_run : 0.22s CPU 0.32s WALL ( 1 calls) electrons : 136.61s CPU 139.52s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 136.60s CPU 139.51s 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 : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 307 calls) cegterg : 127.70s CPU 130.13s WALL ( 572 calls) Called by sum_band: Called by *egterg: h_psi : 55.36s CPU 57.62s WALL ( 8886 calls) s_psi : 5.19s CPU 5.58s WALL ( 8886 calls) g_psi : 0.14s CPU 0.17s WALL ( 8007 calls) cdiaghg : 60.79s CPU 60.68s WALL ( 8314 calls) cegterg:over : 5.12s CPU 4.90s WALL ( 8007 calls) cegterg:upda : 2.80s CPU 3.16s WALL ( 8007 calls) cegterg:last : 2.04s CPU 2.10s WALL ( 1493 calls) cdiaghg:chol : 3.24s CPU 3.26s WALL ( 8314 calls) cdiaghg:inve : 2.32s CPU 2.28s WALL ( 8314 calls) cdiaghg:para : 3.56s CPU 3.53s WALL ( 16628 calls) Called by h_psi: h_psi:vloc : 43.91s CPU 46.05s WALL ( 8886 calls) h_psi:vnl : 11.31s CPU 11.42s WALL ( 8886 calls) add_vuspsi : 6.14s CPU 6.33s WALL ( 8886 calls) General routines calbec : 5.13s CPU 5.07s WALL ( 8886 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 40.28s CPU 42.24s WALL ( 984212 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.13s WALL ( 614 calls) Parallel routines fft_scatter : 21.20s CPU 22.10s WALL ( 984235 calls) PWSCF : 2m28.52s CPU 2m38.74s WALL This run was terminated on: 13:28:42 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=