Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:36:10 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: ./Ni3Ge.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 17 5 542 323 57 Max 25 18 6 547 332 62 Sum 877 621 193 19597 11753 2103 bravais-lattice index = 14 lattice parameter (alat) = 6.8540 a.u. unit-cell volume = 321.9876 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.854036 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 Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ni 10.00 58.69340 Ni( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0029586 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0029586 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0029586 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0029586 k( 10) = ( 0.0000000 0.1022727 -0.0000000), wk = 0.0029586 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0029586 k( 12) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0029586 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0029586 k( 15) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0029586 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0029586 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0029586 k( 18) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0029586 k( 19) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0029586 k( 20) = ( 0.0000000 0.2159091 -0.0000000), wk = 0.0029586 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0029586 k( 22) = ( 0.0000000 0.2386364 -0.0000000), wk = 0.0029586 k( 23) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0029586 k( 25) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0029586 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0029586 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0029586 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0029586 k( 29) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0029586 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0029586 k( 31) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0029586 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0029586 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0029586 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0029586 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0029586 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0029586 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0029586 k( 39) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0029586 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0029586 k( 41) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0029586 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0029586 k( 43) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0029586 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0029586 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0029586 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0029586 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0029586 k( 50) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0029586 k( 51) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0029586 k( 52) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0029586 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0029586 k( 54) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0029586 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0029586 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0029586 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0029586 k( 58) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0029586 k( 59) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0029586 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0029586 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0029586 k( 62) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0029586 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0029586 k( 64) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0029586 k( 65) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0029586 k( 66) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0029586 k( 67) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0029586 k( 68) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0029586 k( 69) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0029586 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0029586 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0029586 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0029586 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0029586 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0029586 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0029586 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0029586 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0029586 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0029586 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0029586 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0029586 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0029586 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0029586 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0029586 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0029586 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0029586 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0029586 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0029586 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0029586 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0029586 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 92) = ( 0.4919355 0.4919355 -0.0000000), wk = 0.0029586 k( 93) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0029586 k( 94) = ( 0.4758064 0.4758064 -0.0000000), wk = 0.0029586 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0029586 k( 96) = ( 0.4596774 0.4596774 -0.0000000), wk = 0.0029586 k( 97) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0029586 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0029586 k( 99) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0029586 k( 100) = ( 0.4274193 0.4274193 -0.0000000), wk = 0.0029586 k( 101) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0029586 k( 102) = ( 0.4112903 0.4112903 -0.0000000), wk = 0.0029586 k( 103) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0029586 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0029586 k( 105) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0029586 k( 106) = ( 0.3790323 0.3790323 -0.0000000), wk = 0.0029586 k( 107) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0029586 k( 108) = ( 0.3629032 0.3629032 -0.0000000), wk = 0.0029586 k( 109) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0029586 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0029586 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0029586 k( 112) = ( 0.3306452 0.3306452 -0.0000000), wk = 0.0029586 k( 113) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0029586 k( 114) = ( 0.3145161 0.3145161 -0.0000000), wk = 0.0029586 k( 115) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0029586 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0029586 k( 117) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0029586 k( 118) = ( 0.2822581 0.2822581 -0.0000000), wk = 0.0029586 k( 119) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0029586 k( 120) = ( 0.2661290 0.2661290 -0.0000000), wk = 0.0029586 k( 121) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0029586 k( 122) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0029586 k( 123) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0029586 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0029586 k( 125) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0029586 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0029586 k( 127) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0029586 k( 128) = ( 0.2016129 0.2016129 -0.0000000), wk = 0.0029586 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0029586 k( 130) = ( 0.1854839 0.1854839 -0.0000000), wk = 0.0029586 k( 131) = ( 0.1774194 0.1774193 -0.0000000), wk = 0.0029586 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0029586 k( 133) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0029586 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0029586 k( 135) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0029586 k( 136) = ( 0.1370968 0.1370968 -0.0000000), wk = 0.0029586 k( 137) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0029586 k( 138) = ( 0.1209677 0.1209677 -0.0000000), wk = 0.0029586 k( 139) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0029586 k( 140) = ( 0.1048387 0.1048387 -0.0000000), wk = 0.0029586 k( 141) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0029586 k( 142) = ( 0.0887097 0.0887097 -0.0000000), wk = 0.0029586 k( 143) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0029586 k( 144) = ( 0.0725806 0.0725806 -0.0000000), wk = 0.0029586 k( 145) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0029586 k( 146) = ( 0.0564516 0.0564516 -0.0000000), wk = 0.0029586 k( 147) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0029586 k( 148) = ( 0.0403226 0.0403226 -0.0000000), wk = 0.0029586 k( 149) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0029586 k( 150) = ( 0.0241936 0.0241935 -0.0000000), wk = 0.0029586 k( 151) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0029586 k( 152) = ( 0.0080645 0.0080645 -0.0000000), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 155) = ( 0.0065790 0.0065789 0.0065789), wk = 0.0029586 k( 156) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0029586 k( 157) = ( 0.0197368 0.0197368 0.0197368), wk = 0.0029586 k( 158) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0029586 k( 159) = ( 0.0328947 0.0328947 0.0328947), wk = 0.0029586 k( 160) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0029586 k( 161) = ( 0.0460526 0.0460526 0.0460526), wk = 0.0029586 k( 162) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0029586 k( 163) = ( 0.0592105 0.0592105 0.0592105), wk = 0.0029586 k( 164) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0029586 k( 165) = ( 0.0723684 0.0723684 0.0723684), wk = 0.0029586 k( 166) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0029586 k( 167) = ( 0.0855263 0.0855263 0.0855263), wk = 0.0029586 k( 168) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0029586 k( 169) = ( 0.0986842 0.0986842 0.0986842), wk = 0.0029586 k( 170) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0029586 k( 171) = ( 0.1118421 0.1118421 0.1118421), wk = 0.0029586 k( 172) = ( 0.1184210 0.1184210 0.1184210), wk = 0.0029586 k( 173) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029586 k( 174) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0029586 k( 175) = ( 0.1381579 0.1381579 0.1381579), wk = 0.0029586 k( 176) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0029586 k( 177) = ( 0.1513158 0.1513158 0.1513158), wk = 0.0029586 k( 178) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0029586 k( 179) = ( 0.1644737 0.1644737 0.1644737), wk = 0.0029586 k( 180) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0029586 k( 181) = ( 0.1776316 0.1776316 0.1776316), wk = 0.0029586 k( 182) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0029586 k( 183) = ( 0.1907895 0.1907895 0.1907895), wk = 0.0029586 k( 184) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0029586 k( 185) = ( 0.2039474 0.2039474 0.2039474), wk = 0.0029586 k( 186) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0029586 k( 187) = ( 0.2171053 0.2171053 0.2171053), wk = 0.0029586 k( 188) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0029586 k( 189) = ( 0.2302632 0.2302632 0.2302632), wk = 0.0029586 k( 190) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0029586 k( 191) = ( 0.2434210 0.2434210 0.2434210), wk = 0.0029586 k( 192) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 193) = ( 0.2565789 0.2565789 0.2565789), wk = 0.0029586 k( 194) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0029586 k( 195) = ( 0.2697368 0.2697368 0.2697368), wk = 0.0029586 k( 196) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0029586 k( 197) = ( 0.2828947 0.2828947 0.2828947), wk = 0.0029586 k( 198) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0029586 k( 199) = ( 0.2960526 0.2960526 0.2960526), wk = 0.0029586 k( 200) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0029586 k( 201) = ( 0.3092105 0.3092105 0.3092105), wk = 0.0029586 k( 202) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0029586 k( 203) = ( 0.3223684 0.3223684 0.3223684), wk = 0.0029586 k( 204) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0029586 k( 205) = ( 0.3355263 0.3355263 0.3355263), wk = 0.0029586 k( 206) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0029586 k( 207) = ( 0.3486842 0.3486842 0.3486842), wk = 0.0029586 k( 208) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0029586 k( 209) = ( 0.3618421 0.3618421 0.3618421), wk = 0.0029586 k( 210) = ( 0.3684211 0.3684210 0.3684210), wk = 0.0029586 k( 211) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029586 k( 212) = ( 0.3815789 0.3815789 0.3815789), wk = 0.0029586 k( 213) = ( 0.3881579 0.3881579 0.3881579), wk = 0.0029586 k( 214) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0029586 k( 215) = ( 0.4013158 0.4013158 0.4013158), wk = 0.0029586 k( 216) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0029586 k( 217) = ( 0.4144737 0.4144737 0.4144737), wk = 0.0029586 k( 218) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0029586 k( 219) = ( 0.4276316 0.4276316 0.4276316), wk = 0.0029586 k( 220) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0029586 k( 221) = ( 0.4407895 0.4407895 0.4407895), wk = 0.0029586 k( 222) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0029586 k( 223) = ( 0.4539474 0.4539474 0.4539474), wk = 0.0029586 k( 224) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0029586 k( 225) = ( 0.4671053 0.4671053 0.4671053), wk = 0.0029586 k( 226) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0029586 k( 227) = ( 0.4802632 0.4802632 0.4802632), wk = 0.0029586 k( 228) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0029586 k( 229) = ( 0.4934211 0.4934210 0.4934210), wk = 0.0029586 k( 230) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 232) = ( 0.4919355 0.5000000 0.4919355), wk = 0.0029586 k( 233) = ( 0.4838710 0.5000000 0.4838710), wk = 0.0029586 k( 234) = ( 0.4758064 0.5000000 0.4758064), wk = 0.0029586 k( 235) = ( 0.4677419 0.5000000 0.4677419), wk = 0.0029586 k( 236) = ( 0.4596774 0.5000000 0.4596774), wk = 0.0029586 k( 237) = ( 0.4516129 0.5000000 0.4516129), wk = 0.0029586 k( 238) = ( 0.4435484 0.5000000 0.4435484), wk = 0.0029586 k( 239) = ( 0.4354839 0.5000000 0.4354839), wk = 0.0029586 k( 240) = ( 0.4274193 0.5000000 0.4274193), wk = 0.0029586 k( 241) = ( 0.4193548 0.5000000 0.4193548), wk = 0.0029586 k( 242) = ( 0.4112903 0.5000000 0.4112903), wk = 0.0029586 k( 243) = ( 0.4032258 0.5000000 0.4032258), wk = 0.0029586 k( 244) = ( 0.3951613 0.5000000 0.3951613), wk = 0.0029586 k( 245) = ( 0.3870968 0.5000000 0.3870968), wk = 0.0029586 k( 246) = ( 0.3790323 0.5000000 0.3790323), wk = 0.0029586 k( 247) = ( 0.3709677 0.5000000 0.3709677), wk = 0.0029586 k( 248) = ( 0.3629032 0.5000000 0.3629032), wk = 0.0029586 k( 249) = ( 0.3548387 0.5000000 0.3548387), wk = 0.0029586 k( 250) = ( 0.3467742 0.5000000 0.3467742), wk = 0.0029586 k( 251) = ( 0.3387097 0.5000000 0.3387097), wk = 0.0029586 k( 252) = ( 0.3306452 0.5000000 0.3306452), wk = 0.0029586 k( 253) = ( 0.3225807 0.5000000 0.3225806), wk = 0.0029586 k( 254) = ( 0.3145161 0.5000000 0.3145161), wk = 0.0029586 k( 255) = ( 0.3064516 0.5000000 0.3064516), wk = 0.0029586 k( 256) = ( 0.2983871 0.5000000 0.2983871), wk = 0.0029586 k( 257) = ( 0.2903226 0.5000000 0.2903226), wk = 0.0029586 k( 258) = ( 0.2822581 0.5000000 0.2822581), wk = 0.0029586 k( 259) = ( 0.2741936 0.5000000 0.2741935), wk = 0.0029586 k( 260) = ( 0.2661290 0.5000000 0.2661290), wk = 0.0029586 k( 261) = ( 0.2580645 0.5000000 0.2580645), wk = 0.0029586 k( 262) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0029586 k( 263) = ( 0.2419355 0.5000000 0.2419355), wk = 0.0029586 k( 264) = ( 0.2338710 0.5000000 0.2338710), wk = 0.0029586 k( 265) = ( 0.2258064 0.5000000 0.2258064), wk = 0.0029586 k( 266) = ( 0.2177419 0.5000000 0.2177419), wk = 0.0029586 k( 267) = ( 0.2096774 0.5000000 0.2096774), wk = 0.0029586 k( 268) = ( 0.2016129 0.5000000 0.2016129), wk = 0.0029586 k( 269) = ( 0.1935484 0.5000000 0.1935484), wk = 0.0029586 k( 270) = ( 0.1854839 0.5000000 0.1854839), wk = 0.0029586 k( 271) = ( 0.1774194 0.5000000 0.1774193), wk = 0.0029586 k( 272) = ( 0.1693548 0.5000000 0.1693548), wk = 0.0029586 k( 273) = ( 0.1612903 0.5000000 0.1612903), wk = 0.0029586 k( 274) = ( 0.1532258 0.5000000 0.1532258), wk = 0.0029586 k( 275) = ( 0.1451613 0.5000000 0.1451613), wk = 0.0029586 k( 276) = ( 0.1370968 0.5000000 0.1370968), wk = 0.0029586 k( 277) = ( 0.1290323 0.5000000 0.1290323), wk = 0.0029586 k( 278) = ( 0.1209677 0.5000000 0.1209677), wk = 0.0029586 k( 279) = ( 0.1129032 0.5000000 0.1129032), wk = 0.0029586 k( 280) = ( 0.1048387 0.5000000 0.1048387), wk = 0.0029586 k( 281) = ( 0.0967742 0.5000000 0.0967742), wk = 0.0029586 k( 282) = ( 0.0887097 0.5000000 0.0887097), wk = 0.0029586 k( 283) = ( 0.0806452 0.5000000 0.0806452), wk = 0.0029586 k( 284) = ( 0.0725806 0.5000000 0.0725806), wk = 0.0029586 k( 285) = ( 0.0645161 0.5000000 0.0645161), wk = 0.0029586 k( 286) = ( 0.0564516 0.5000000 0.0564516), wk = 0.0029586 k( 287) = ( 0.0483871 0.5000000 0.0483871), wk = 0.0029586 k( 288) = ( 0.0403226 0.5000000 0.0403226), wk = 0.0029586 k( 289) = ( 0.0322581 0.5000000 0.0322581), wk = 0.0029586 k( 290) = ( 0.0241936 0.5000000 0.0241935), wk = 0.0029586 k( 291) = ( 0.0161290 0.5000000 0.0161290), wk = 0.0029586 k( 292) = ( 0.0080645 0.5000000 0.0080645), wk = 0.0029586 k( 293) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 294) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 295) = ( 0.5000000 0.5000000 0.0113636), wk = 0.0029586 k( 296) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0029586 k( 297) = ( 0.5000000 0.5000000 0.0340909), wk = 0.0029586 k( 298) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0029586 k( 299) = ( 0.5000000 0.5000000 0.0568182), wk = 0.0029586 k( 300) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0029586 k( 301) = ( 0.5000000 0.5000000 0.0795454), wk = 0.0029586 k( 302) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0029586 k( 303) = ( 0.5000000 0.5000000 0.1022727), wk = 0.0029586 k( 304) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0029586 k( 305) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0029586 k( 306) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0029586 k( 307) = ( 0.5000000 0.5000000 0.1477273), wk = 0.0029586 k( 308) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0029586 k( 309) = ( 0.5000000 0.5000000 0.1704545), wk = 0.0029586 k( 310) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0029586 k( 311) = ( 0.5000000 0.5000000 0.1931818), wk = 0.0029586 k( 312) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0029586 k( 313) = ( 0.5000000 0.5000000 0.2159091), wk = 0.0029586 k( 314) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 0.2386364), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 0.2613636), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 0.2840909), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 0.3068182), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 0.3295454), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 0.3522727), wk = 0.0029586 k( 326) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0029586 k( 327) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0029586 k( 328) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0029586 k( 329) = ( 0.5000000 0.5000000 0.3977273), wk = 0.0029586 k( 330) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0029586 k( 331) = ( 0.5000000 0.5000000 0.4204545), wk = 0.0029586 k( 332) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0029586 k( 333) = ( 0.5000000 0.5000000 0.4431818), wk = 0.0029586 k( 334) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0029586 k( 335) = ( 0.5000000 0.5000000 0.4659091), wk = 0.0029586 k( 336) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0029586 k( 337) = ( 0.5000000 0.5000000 0.4886364), wk = 0.0029586 k( 338) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0113636 0.0000000), wk = 0.0029586 k( 3) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0029586 k( 4) = ( 0.0000000 0.0340909 0.0000000), wk = 0.0029586 k( 5) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0029586 k( 6) = ( 0.0000000 0.0568182 0.0000000), wk = 0.0029586 k( 7) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0029586 k( 8) = ( 0.0000000 0.0795455 0.0000000), wk = 0.0029586 k( 9) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0029586 k( 10) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0029586 k( 11) = ( 0.0000000 0.1136364 0.0000000), wk = 0.0029586 k( 12) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0029586 k( 14) = ( 0.0000000 0.1477273 0.0000000), wk = 0.0029586 k( 15) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0029586 k( 16) = ( 0.0000000 0.1704546 0.0000000), wk = 0.0029586 k( 17) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0029586 k( 18) = ( 0.0000000 0.1931818 0.0000000), wk = 0.0029586 k( 19) = ( 0.0000000 0.2045454 0.0000000), wk = 0.0029586 k( 20) = ( 0.0000000 0.2159091 0.0000000), wk = 0.0029586 k( 21) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0029586 k( 22) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0029586 k( 23) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.2613636 0.0000000), wk = 0.0029586 k( 25) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0029586 k( 26) = ( 0.0000000 0.2840909 0.0000000), wk = 0.0029586 k( 27) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0029586 k( 28) = ( 0.0000000 0.3068182 0.0000000), wk = 0.0029586 k( 29) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0029586 k( 30) = ( 0.0000000 0.3295455 0.0000000), wk = 0.0029586 k( 31) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0029586 k( 32) = ( 0.0000000 0.3522727 0.0000000), wk = 0.0029586 k( 33) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0029586 k( 34) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0029586 k( 36) = ( 0.0000000 0.3977273 0.0000000), wk = 0.0029586 k( 37) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0029586 k( 38) = ( 0.0000000 0.4204545 0.0000000), wk = 0.0029586 k( 39) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0029586 k( 40) = ( 0.0000000 0.4431818 0.0000000), wk = 0.0029586 k( 41) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0029586 k( 42) = ( 0.0000000 0.4659091 0.0000000), wk = 0.0029586 k( 43) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0029586 k( 44) = ( 0.0000000 0.4886364 0.0000000), wk = 0.0029586 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 47) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0029586 k( 48) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0029586 k( 49) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0029586 k( 50) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0029586 k( 51) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0029586 k( 52) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0029586 k( 53) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0029586 k( 54) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0029586 k( 55) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0029586 k( 56) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0029586 k( 57) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0029586 k( 58) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0029586 k( 59) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0029586 k( 60) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0029586 k( 61) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0029586 k( 62) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0029586 k( 63) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0029586 k( 64) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0029586 k( 65) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0029586 k( 66) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0029586 k( 67) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0029586 k( 68) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0029586 k( 69) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0029586 k( 70) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0029586 k( 71) = ( 0.2840909 0.5000000 0.0000000), wk = 0.0029586 k( 72) = ( 0.2954545 0.5000000 0.0000000), wk = 0.0029586 k( 73) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0029586 k( 74) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0029586 k( 75) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0029586 k( 76) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0029586 k( 77) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0029586 k( 78) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0029586 k( 79) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0029586 k( 80) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0029586 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0029586 k( 82) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0029586 k( 83) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0029586 k( 84) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0029586 k( 85) = ( 0.4431818 0.5000000 0.0000000), wk = 0.0029586 k( 86) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0029586 k( 87) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0029586 k( 88) = ( 0.4772727 0.5000000 0.0000000), wk = 0.0029586 k( 89) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0029586 k( 90) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 91) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 92) = ( 0.4919355 0.4919355 0.0000000), wk = 0.0029586 k( 93) = ( 0.4838710 0.4838710 0.0000000), wk = 0.0029586 k( 94) = ( 0.4758064 0.4758064 0.0000000), wk = 0.0029586 k( 95) = ( 0.4677419 0.4677419 0.0000000), wk = 0.0029586 k( 96) = ( 0.4596774 0.4596774 0.0000000), wk = 0.0029586 k( 97) = ( 0.4516129 0.4516129 0.0000000), wk = 0.0029586 k( 98) = ( 0.4435484 0.4435484 0.0000000), wk = 0.0029586 k( 99) = ( 0.4354839 0.4354839 0.0000000), wk = 0.0029586 k( 100) = ( 0.4274193 0.4274193 0.0000000), wk = 0.0029586 k( 101) = ( 0.4193548 0.4193548 0.0000000), wk = 0.0029586 k( 102) = ( 0.4112903 0.4112903 0.0000000), wk = 0.0029586 k( 103) = ( 0.4032258 0.4032258 0.0000000), wk = 0.0029586 k( 104) = ( 0.3951613 0.3951613 0.0000000), wk = 0.0029586 k( 105) = ( 0.3870968 0.3870968 0.0000000), wk = 0.0029586 k( 106) = ( 0.3790323 0.3790323 0.0000000), wk = 0.0029586 k( 107) = ( 0.3709677 0.3709677 0.0000000), wk = 0.0029586 k( 108) = ( 0.3629032 0.3629032 0.0000000), wk = 0.0029586 k( 109) = ( 0.3548387 0.3548387 0.0000000), wk = 0.0029586 k( 110) = ( 0.3467742 0.3467742 0.0000000), wk = 0.0029586 k( 111) = ( 0.3387097 0.3387097 0.0000000), wk = 0.0029586 k( 112) = ( 0.3306452 0.3306452 0.0000000), wk = 0.0029586 k( 113) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0029586 k( 114) = ( 0.3145161 0.3145161 0.0000000), wk = 0.0029586 k( 115) = ( 0.3064516 0.3064516 0.0000000), wk = 0.0029586 k( 116) = ( 0.2983871 0.2983871 0.0000000), wk = 0.0029586 k( 117) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0029586 k( 118) = ( 0.2822581 0.2822581 0.0000000), wk = 0.0029586 k( 119) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0029586 k( 120) = ( 0.2661290 0.2661290 0.0000000), wk = 0.0029586 k( 121) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0029586 k( 122) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029586 k( 123) = ( 0.2419355 0.2419355 0.0000000), wk = 0.0029586 k( 124) = ( 0.2338710 0.2338710 0.0000000), wk = 0.0029586 k( 125) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0029586 k( 126) = ( 0.2177419 0.2177419 0.0000000), wk = 0.0029586 k( 127) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0029586 k( 128) = ( 0.2016129 0.2016129 0.0000000), wk = 0.0029586 k( 129) = ( 0.1935484 0.1935484 0.0000000), wk = 0.0029586 k( 130) = ( 0.1854839 0.1854839 0.0000000), wk = 0.0029586 k( 131) = ( 0.1774194 0.1774194 0.0000000), wk = 0.0029586 k( 132) = ( 0.1693548 0.1693548 0.0000000), wk = 0.0029586 k( 133) = ( 0.1612903 0.1612903 0.0000000), wk = 0.0029586 k( 134) = ( 0.1532258 0.1532258 0.0000000), wk = 0.0029586 k( 135) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0029586 k( 136) = ( 0.1370968 0.1370968 0.0000000), wk = 0.0029586 k( 137) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0029586 k( 138) = ( 0.1209677 0.1209677 0.0000000), wk = 0.0029586 k( 139) = ( 0.1129032 0.1129032 0.0000000), wk = 0.0029586 k( 140) = ( 0.1048387 0.1048387 0.0000000), wk = 0.0029586 k( 141) = ( 0.0967742 0.0967742 0.0000000), wk = 0.0029586 k( 142) = ( 0.0887097 0.0887097 0.0000000), wk = 0.0029586 k( 143) = ( 0.0806452 0.0806452 0.0000000), wk = 0.0029586 k( 144) = ( 0.0725806 0.0725806 0.0000000), wk = 0.0029586 k( 145) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0029586 k( 146) = ( 0.0564516 0.0564516 0.0000000), wk = 0.0029586 k( 147) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0029586 k( 148) = ( 0.0403226 0.0403226 0.0000000), wk = 0.0029586 k( 149) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0029586 k( 150) = ( 0.0241936 0.0241936 0.0000000), wk = 0.0029586 k( 151) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0029586 k( 152) = ( 0.0080645 0.0080645 0.0000000), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 155) = ( 0.0065790 0.0065790 0.0065790), wk = 0.0029586 k( 156) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0029586 k( 157) = ( 0.0197368 0.0197368 0.0197368), wk = 0.0029586 k( 158) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0029586 k( 159) = ( 0.0328947 0.0328947 0.0328947), wk = 0.0029586 k( 160) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0029586 k( 161) = ( 0.0460526 0.0460526 0.0460526), wk = 0.0029586 k( 162) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0029586 k( 163) = ( 0.0592105 0.0592105 0.0592105), wk = 0.0029586 k( 164) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0029586 k( 165) = ( 0.0723684 0.0723684 0.0723684), wk = 0.0029586 k( 166) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0029586 k( 167) = ( 0.0855263 0.0855263 0.0855263), wk = 0.0029586 k( 168) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0029586 k( 169) = ( 0.0986842 0.0986842 0.0986842), wk = 0.0029586 k( 170) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0029586 k( 171) = ( 0.1118421 0.1118421 0.1118421), wk = 0.0029586 k( 172) = ( 0.1184210 0.1184210 0.1184210), wk = 0.0029586 k( 173) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029586 k( 174) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0029586 k( 175) = ( 0.1381579 0.1381579 0.1381579), wk = 0.0029586 k( 176) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0029586 k( 177) = ( 0.1513158 0.1513158 0.1513158), wk = 0.0029586 k( 178) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0029586 k( 179) = ( 0.1644737 0.1644737 0.1644737), wk = 0.0029586 k( 180) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0029586 k( 181) = ( 0.1776316 0.1776316 0.1776316), wk = 0.0029586 k( 182) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0029586 k( 183) = ( 0.1907895 0.1907895 0.1907895), wk = 0.0029586 k( 184) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0029586 k( 185) = ( 0.2039474 0.2039474 0.2039474), wk = 0.0029586 k( 186) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0029586 k( 187) = ( 0.2171053 0.2171053 0.2171053), wk = 0.0029586 k( 188) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0029586 k( 189) = ( 0.2302632 0.2302632 0.2302632), wk = 0.0029586 k( 190) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0029586 k( 191) = ( 0.2434210 0.2434210 0.2434210), wk = 0.0029586 k( 192) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 193) = ( 0.2565789 0.2565789 0.2565789), wk = 0.0029586 k( 194) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0029586 k( 195) = ( 0.2697368 0.2697368 0.2697368), wk = 0.0029586 k( 196) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0029586 k( 197) = ( 0.2828947 0.2828947 0.2828947), wk = 0.0029586 k( 198) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0029586 k( 199) = ( 0.2960526 0.2960526 0.2960526), wk = 0.0029586 k( 200) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0029586 k( 201) = ( 0.3092105 0.3092105 0.3092105), wk = 0.0029586 k( 202) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0029586 k( 203) = ( 0.3223684 0.3223684 0.3223684), wk = 0.0029586 k( 204) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0029586 k( 205) = ( 0.3355263 0.3355263 0.3355263), wk = 0.0029586 k( 206) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0029586 k( 207) = ( 0.3486842 0.3486842 0.3486842), wk = 0.0029586 k( 208) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0029586 k( 209) = ( 0.3618421 0.3618421 0.3618421), wk = 0.0029586 k( 210) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0029586 k( 211) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029586 k( 212) = ( 0.3815789 0.3815789 0.3815789), wk = 0.0029586 k( 213) = ( 0.3881579 0.3881579 0.3881579), wk = 0.0029586 k( 214) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0029586 k( 215) = ( 0.4013158 0.4013158 0.4013158), wk = 0.0029586 k( 216) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0029586 k( 217) = ( 0.4144737 0.4144737 0.4144737), wk = 0.0029586 k( 218) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0029586 k( 219) = ( 0.4276316 0.4276316 0.4276316), wk = 0.0029586 k( 220) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0029586 k( 221) = ( 0.4407895 0.4407895 0.4407895), wk = 0.0029586 k( 222) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0029586 k( 223) = ( 0.4539474 0.4539474 0.4539474), wk = 0.0029586 k( 224) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0029586 k( 225) = ( 0.4671053 0.4671053 0.4671053), wk = 0.0029586 k( 226) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0029586 k( 227) = ( 0.4802632 0.4802632 0.4802632), wk = 0.0029586 k( 228) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0029586 k( 229) = ( 0.4934211 0.4934211 0.4934211), wk = 0.0029586 k( 230) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 232) = ( 0.4919355 0.5000000 0.4919355), wk = 0.0029586 k( 233) = ( 0.4838710 0.5000000 0.4838710), wk = 0.0029586 k( 234) = ( 0.4758064 0.5000000 0.4758064), wk = 0.0029586 k( 235) = ( 0.4677419 0.5000000 0.4677419), wk = 0.0029586 k( 236) = ( 0.4596774 0.5000000 0.4596774), wk = 0.0029586 k( 237) = ( 0.4516129 0.5000000 0.4516129), wk = 0.0029586 k( 238) = ( 0.4435484 0.5000000 0.4435484), wk = 0.0029586 k( 239) = ( 0.4354839 0.5000000 0.4354839), wk = 0.0029586 k( 240) = ( 0.4274193 0.5000000 0.4274193), wk = 0.0029586 k( 241) = ( 0.4193548 0.5000000 0.4193548), wk = 0.0029586 k( 242) = ( 0.4112903 0.5000000 0.4112903), wk = 0.0029586 k( 243) = ( 0.4032258 0.5000000 0.4032258), wk = 0.0029586 k( 244) = ( 0.3951613 0.5000000 0.3951613), wk = 0.0029586 k( 245) = ( 0.3870968 0.5000000 0.3870968), wk = 0.0029586 k( 246) = ( 0.3790323 0.5000000 0.3790323), wk = 0.0029586 k( 247) = ( 0.3709677 0.5000000 0.3709677), wk = 0.0029586 k( 248) = ( 0.3629032 0.5000000 0.3629032), wk = 0.0029586 k( 249) = ( 0.3548387 0.5000000 0.3548387), wk = 0.0029586 k( 250) = ( 0.3467742 0.5000000 0.3467742), wk = 0.0029586 k( 251) = ( 0.3387097 0.5000000 0.3387097), wk = 0.0029586 k( 252) = ( 0.3306452 0.5000000 0.3306452), wk = 0.0029586 k( 253) = ( 0.3225807 0.5000000 0.3225807), wk = 0.0029586 k( 254) = ( 0.3145161 0.5000000 0.3145161), wk = 0.0029586 k( 255) = ( 0.3064516 0.5000000 0.3064516), wk = 0.0029586 k( 256) = ( 0.2983871 0.5000000 0.2983871), wk = 0.0029586 k( 257) = ( 0.2903226 0.5000000 0.2903226), wk = 0.0029586 k( 258) = ( 0.2822581 0.5000000 0.2822581), wk = 0.0029586 k( 259) = ( 0.2741936 0.5000000 0.2741936), wk = 0.0029586 k( 260) = ( 0.2661290 0.5000000 0.2661290), wk = 0.0029586 k( 261) = ( 0.2580645 0.5000000 0.2580645), wk = 0.0029586 k( 262) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0029586 k( 263) = ( 0.2419355 0.5000000 0.2419355), wk = 0.0029586 k( 264) = ( 0.2338710 0.5000000 0.2338710), wk = 0.0029586 k( 265) = ( 0.2258064 0.5000000 0.2258064), wk = 0.0029586 k( 266) = ( 0.2177419 0.5000000 0.2177419), wk = 0.0029586 k( 267) = ( 0.2096774 0.5000000 0.2096774), wk = 0.0029586 k( 268) = ( 0.2016129 0.5000000 0.2016129), wk = 0.0029586 k( 269) = ( 0.1935484 0.5000000 0.1935484), wk = 0.0029586 k( 270) = ( 0.1854839 0.5000000 0.1854839), wk = 0.0029586 k( 271) = ( 0.1774194 0.5000000 0.1774194), wk = 0.0029586 k( 272) = ( 0.1693548 0.5000000 0.1693548), wk = 0.0029586 k( 273) = ( 0.1612903 0.5000000 0.1612903), wk = 0.0029586 k( 274) = ( 0.1532258 0.5000000 0.1532258), wk = 0.0029586 k( 275) = ( 0.1451613 0.5000000 0.1451613), wk = 0.0029586 k( 276) = ( 0.1370968 0.5000000 0.1370968), wk = 0.0029586 k( 277) = ( 0.1290323 0.5000000 0.1290323), wk = 0.0029586 k( 278) = ( 0.1209677 0.5000000 0.1209677), wk = 0.0029586 k( 279) = ( 0.1129032 0.5000000 0.1129032), wk = 0.0029586 k( 280) = ( 0.1048387 0.5000000 0.1048387), wk = 0.0029586 k( 281) = ( 0.0967742 0.5000000 0.0967742), wk = 0.0029586 k( 282) = ( 0.0887097 0.5000000 0.0887097), wk = 0.0029586 k( 283) = ( 0.0806452 0.5000000 0.0806452), wk = 0.0029586 k( 284) = ( 0.0725806 0.5000000 0.0725806), wk = 0.0029586 k( 285) = ( 0.0645161 0.5000000 0.0645161), wk = 0.0029586 k( 286) = ( 0.0564516 0.5000000 0.0564516), wk = 0.0029586 k( 287) = ( 0.0483871 0.5000000 0.0483871), wk = 0.0029586 k( 288) = ( 0.0403226 0.5000000 0.0403226), wk = 0.0029586 k( 289) = ( 0.0322581 0.5000000 0.0322581), wk = 0.0029586 k( 290) = ( 0.0241936 0.5000000 0.0241936), wk = 0.0029586 k( 291) = ( 0.0161290 0.5000000 0.0161290), wk = 0.0029586 k( 292) = ( 0.0080645 0.5000000 0.0080645), wk = 0.0029586 k( 293) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 294) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 295) = ( 0.5000000 0.5000000 0.0113636), wk = 0.0029586 k( 296) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0029586 k( 297) = ( 0.5000000 0.5000000 0.0340909), wk = 0.0029586 k( 298) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0029586 k( 299) = ( 0.5000000 0.5000000 0.0568182), wk = 0.0029586 k( 300) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0029586 k( 301) = ( 0.5000000 0.5000000 0.0795455), wk = 0.0029586 k( 302) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0029586 k( 303) = ( 0.5000000 0.5000000 0.1022727), wk = 0.0029586 k( 304) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0029586 k( 305) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0029586 k( 306) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0029586 k( 307) = ( 0.5000000 0.5000000 0.1477273), wk = 0.0029586 k( 308) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0029586 k( 309) = ( 0.5000000 0.5000000 0.1704546), wk = 0.0029586 k( 310) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0029586 k( 311) = ( 0.5000000 0.5000000 0.1931818), wk = 0.0029586 k( 312) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0029586 k( 313) = ( 0.5000000 0.5000000 0.2159091), wk = 0.0029586 k( 314) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 0.2386364), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 0.2613636), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 0.2840909), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 0.3068182), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 0.3295455), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 0.3522727), wk = 0.0029586 k( 326) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0029586 k( 327) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0029586 k( 328) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0029586 k( 329) = ( 0.5000000 0.5000000 0.3977273), wk = 0.0029586 k( 330) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0029586 k( 331) = ( 0.5000000 0.5000000 0.4204545), wk = 0.0029586 k( 332) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0029586 k( 333) = ( 0.5000000 0.5000000 0.4431818), wk = 0.0029586 k( 334) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0029586 k( 335) = ( 0.5000000 0.5000000 0.4659091), wk = 0.0029586 k( 336) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0029586 k( 337) = ( 0.5000000 0.5000000 0.4886364), wk = 0.0029586 k( 338) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 Dense grid: 19597 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 11753 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 88, 42) NL pseudopotentials 0.08 Mb ( 44, 116) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 544) G-vector shells 0.00 Mb ( 162) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.23 Mb ( 88, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.15 Mb ( 116, 2, 42) The potential is recalculated from file : ./Ni3Ge.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.1 secs Computing kpt #: 10 total cpu time spent up to now is 4.3 secs Computing kpt #: 11 total cpu time spent up to now is 4.5 secs Computing kpt #: 12 total cpu time spent up to now is 4.8 secs Computing kpt #: 13 total cpu time spent up to now is 5.1 secs Computing kpt #: 14 total cpu time spent up to now is 5.3 secs Computing kpt #: 15 total cpu time spent up to now is 5.5 secs Computing kpt #: 16 total cpu time spent up to now is 5.7 secs Computing 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up to now is 13.1 secs Computing kpt #: 49 total cpu time spent up to now is 13.3 secs Computing kpt #: 50 total cpu time spent up to now is 13.5 secs Computing kpt #: 51 total cpu time spent up to now is 13.7 secs Computing kpt #: 52 total cpu time spent up to now is 13.9 secs Computing kpt #: 53 total cpu time spent up to now is 14.1 secs Computing kpt #: 54 total cpu time spent up to now is 14.2 secs Computing kpt #: 55 total cpu time spent up to now is 14.4 secs Computing kpt #: 56 total cpu time spent up to now is 14.6 secs Computing kpt #: 57 total cpu time spent up to now is 15.2 secs Computing kpt #: 58 total cpu time spent up to now is 15.3 secs Computing kpt #: 59 total cpu time spent up to now is 15.5 secs Computing kpt #: 60 total cpu time spent up to now is 15.7 secs Computing kpt #: 61 total cpu time spent up to now is 15.9 secs Computing kpt #: 62 total cpu time spent up to now is 16.1 secs Computing kpt #: 63 total cpu time spent up to now is 16.3 secs Computing kpt #: 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19.3 secs Computing kpt #: 80 total cpu time spent up to now is 19.5 secs Computing kpt #: 81 total cpu time spent up to now is 19.7 secs Computing kpt #: 82 total cpu time spent up to now is 19.8 secs Computing kpt #: 83 total cpu time spent up to now is 20.0 secs Computing kpt #: 84 total cpu time spent up to now is 20.2 secs Computing kpt #: 85 total cpu time spent up to now is 20.4 secs Computing kpt #: 86 total cpu time spent up to now is 20.5 secs Computing kpt #: 87 total cpu time spent up to now is 20.7 secs Computing kpt #: 88 total cpu time spent up to now is 20.9 secs Computing kpt #: 89 total cpu time spent up to now is 21.0 secs Computing kpt #: 90 total cpu time spent up to now is 21.2 secs Computing kpt #: 91 total cpu time spent up to now is 21.4 secs Computing kpt #: 92 total cpu time spent up to now is 21.5 secs Computing kpt #: 93 total cpu time spent up to now is 21.7 secs Computing kpt #: 94 total cpu time spent up to now is 21.9 secs Computing kpt #: 95 total cpu 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total cpu time spent up to now is 27.6 secs Computing kpt #: 127 total cpu time spent up to now is 27.8 secs Computing kpt #: 128 total cpu time spent up to now is 28.0 secs Computing kpt #: 129 total cpu time spent up to now is 28.2 secs Computing kpt #: 130 total cpu time spent up to now is 28.4 secs Computing kpt #: 131 total cpu time spent up to now is 28.6 secs Computing kpt #: 132 total cpu time spent up to now is 28.8 secs Computing kpt #: 133 total cpu time spent up to now is 29.0 secs Computing kpt #: 134 total cpu time spent up to now is 29.2 secs Computing kpt #: 135 total cpu time spent up to now is 29.5 secs Computing kpt #: 136 total cpu time spent up to now is 29.8 secs Computing kpt #: 137 total cpu time spent up to now is 30.0 secs Computing kpt #: 138 total cpu time spent up to now is 30.3 secs Computing kpt #: 139 total cpu time spent up to now is 30.5 secs Computing kpt #: 140 total cpu time spent up to now is 30.8 secs Computing kpt #: 141 total cpu time spent up 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Computing kpt #: 203 total cpu time spent up to now is 47.7 secs Computing kpt #: 204 total cpu time spent up to now is 47.9 secs Computing kpt #: 205 total cpu time spent up to now is 48.2 secs Computing kpt #: 206 total cpu time spent up to now is 48.4 secs Computing kpt #: 207 total cpu time spent up to now is 48.7 secs Computing kpt #: 208 total cpu time spent up to now is 48.9 secs Computing kpt #: 209 total cpu time spent up to now is 49.2 secs Computing kpt #: 210 total cpu time spent up to now is 49.4 secs Computing kpt #: 211 total cpu time spent up to now is 49.7 secs Computing kpt #: 212 total cpu time spent up to now is 50.1 secs Computing kpt #: 213 total cpu time spent up to now is 50.3 secs Computing kpt #: 214 total cpu time spent up to now is 50.6 secs Computing kpt #: 215 total cpu time spent up to now is 50.8 secs Computing kpt #: 216 total cpu time spent up to now is 51.1 secs Computing kpt #: 217 total cpu time spent up to now is 51.3 secs Computing kpt #: 218 total cpu time spent up to now is 51.6 secs Computing kpt #: 219 total cpu time spent up to now is 51.8 secs Computing kpt #: 220 total cpu time spent up to now is 52.1 secs Computing kpt #: 221 total cpu time spent up to now is 52.3 secs Computing kpt #: 222 total cpu time spent up to now is 52.6 secs Computing kpt #: 223 total cpu time spent up to now is 52.8 secs Computing kpt #: 224 total cpu time spent up to now is 53.1 secs Computing kpt #: 225 total cpu time spent up to now is 53.4 secs Computing kpt #: 226 total cpu time spent up to now is 53.6 secs Computing kpt #: 227 total cpu time spent up to now is 53.9 secs Computing kpt #: 228 total cpu time spent up to now is 54.2 secs Computing kpt #: 229 total cpu time spent up to now is 54.4 secs Computing kpt #: 230 total cpu time spent up to now is 54.7 secs Computing kpt #: 231 total cpu time spent up to now is 55.0 secs Computing kpt #: 232 total cpu time spent up to now is 55.4 secs Computing kpt #: 233 total cpu time spent up to now is 55.7 secs Computing kpt #: 234 total cpu time spent up to now is 56.1 secs Computing kpt #: 235 total cpu time spent up to now is 56.4 secs Computing kpt #: 236 total cpu time spent up to now is 56.7 secs Computing kpt #: 237 total cpu time spent up to now is 57.0 secs Computing kpt #: 238 total cpu time spent up to now is 57.2 secs Computing kpt #: 239 total cpu time spent up to now is 57.4 secs Computing kpt #: 240 total cpu time spent up to now is 57.7 secs Computing kpt #: 241 total cpu time spent up to now is 57.9 secs Computing kpt #: 242 total cpu time spent up to now is 58.1 secs Computing kpt #: 243 total cpu time spent up to now is 58.4 secs Computing kpt #: 244 total cpu time spent up to now is 58.6 secs Computing kpt #: 245 total cpu time spent up to now is 58.8 secs Computing kpt #: 246 total cpu time spent up to now is 59.0 secs Computing kpt #: 247 total cpu time spent up to now is 59.2 secs Computing kpt #: 248 total cpu time spent up to now is 59.4 secs Computing kpt #: 249 total cpu time spent up to now is 59.6 secs Computing kpt #: 250 total cpu time spent up to now is 59.8 secs Computing kpt #: 251 total cpu time spent up to now is 60.0 secs Computing kpt #: 252 total cpu time spent up to now is 60.1 secs Computing kpt #: 253 total cpu time spent up to now is 60.3 secs Computing kpt #: 254 total cpu time spent up to now is 60.5 secs Computing kpt #: 255 total cpu time spent up to now is 60.7 secs Computing kpt #: 256 total cpu time spent up to now is 60.8 secs Computing kpt #: 257 total cpu time spent up to now is 61.0 secs Computing kpt #: 258 total cpu time spent up to now is 61.2 secs Computing kpt #: 259 total cpu time spent up to now is 61.4 secs Computing kpt #: 260 total cpu time spent up to now is 61.5 secs Computing kpt #: 261 total cpu time spent up to now is 61.7 secs Computing kpt #: 262 total cpu time spent up to now is 61.9 secs Computing kpt #: 263 total cpu time spent up to now is 62.0 secs Computing kpt #: 264 total cpu time spent up to now is 62.2 secs Computing kpt #: 265 total cpu time spent up to now is 62.4 secs Computing kpt #: 266 total cpu time spent up to now is 62.5 secs Computing kpt #: 267 total cpu time spent up to now is 62.7 secs Computing kpt #: 268 total cpu time spent up to now is 62.9 secs Computing kpt #: 269 total cpu time spent up to now is 63.1 secs Computing kpt #: 270 total cpu time spent up to now is 63.2 secs Computing kpt #: 271 total cpu time spent up to now is 63.4 secs Computing kpt #: 272 total cpu time spent up to now is 63.6 secs Computing kpt #: 273 total cpu time spent up to now is 63.8 secs Computing kpt #: 274 total cpu time spent up to now is 63.9 secs Computing kpt #: 275 total cpu time spent up to now is 64.1 secs Computing kpt #: 276 total cpu time spent up to now is 64.3 secs Computing kpt #: 277 total cpu time spent up to now is 64.5 secs Computing kpt #: 278 total cpu time spent up to now is 64.7 secs Computing kpt #: 279 total cpu time spent up to now is 64.9 secs Computing kpt #: 280 total cpu time spent up to now is 65.1 secs Computing kpt #: 281 total cpu time spent up to now is 65.3 secs Computing kpt #: 282 total cpu time spent up to now is 65.5 secs Computing kpt #: 283 total cpu time spent up to now is 65.7 secs Computing kpt #: 284 total cpu time spent up to now is 65.9 secs Computing kpt #: 285 total cpu time spent up to now is 66.1 secs Computing kpt #: 286 total cpu time spent up to now is 66.3 secs Computing kpt #: 287 total cpu time spent up to now is 66.6 secs Computing kpt #: 288 total cpu time spent up to now is 66.8 secs Computing kpt #: 289 total cpu time spent up to now is 67.0 secs Computing kpt #: 290 total cpu time spent up to now is 67.2 secs Computing kpt #: 291 total cpu time spent up to now is 67.4 secs Computing kpt #: 292 total cpu time spent up to now is 67.7 secs Computing kpt #: 293 total cpu time spent up to now is 67.9 secs Computing kpt #: 294 total cpu time spent up to now is 68.1 secs Computing kpt #: 295 total cpu time spent up to now is 68.2 secs Computing kpt #: 296 total cpu time spent up to now is 68.4 secs Computing kpt #: 297 total cpu time spent up to now is 68.6 secs Computing kpt #: 298 total cpu time spent up to now is 68.7 secs Computing kpt #: 299 total cpu time spent up to now is 68.9 secs Computing kpt #: 300 total cpu time spent up to now is 69.1 secs Computing kpt #: 301 total cpu time spent up to now is 69.5 secs Computing kpt #: 302 total cpu time spent up to now is 69.9 secs Computing kpt #: 303 total cpu time spent up to now is 70.2 secs Computing kpt #: 304 total cpu time spent up to now is 70.4 secs Computing kpt #: 305 total cpu time spent up to now is 70.7 secs Computing kpt #: 306 total cpu time spent up to now is 71.1 secs Computing kpt #: 307 total cpu time spent up to now is 71.4 secs Computing kpt #: 308 total cpu time spent up to now is 71.7 secs Computing kpt #: 309 total cpu time spent up to now is 72.0 secs Computing kpt #: 310 total cpu time spent up to now is 72.2 secs Computing kpt #: 311 total cpu time spent up to now is 72.5 secs Computing kpt #: 312 total cpu time spent up to now is 72.8 secs Computing kpt #: 313 total cpu time spent up to now is 73.0 secs Computing kpt #: 314 total cpu time spent up to now is 73.3 secs Computing kpt #: 315 total cpu time spent up to now is 73.6 secs Computing kpt #: 316 total cpu time spent up to now is 73.8 secs Computing kpt #: 317 total cpu time spent up to now is 74.1 secs Computing kpt #: 318 total cpu time spent up to now is 74.3 secs Computing kpt #: 319 total cpu time spent up to now is 74.6 secs Computing kpt #: 320 total cpu time spent up to now is 74.9 secs Computing kpt #: 321 total cpu time spent up to now is 75.1 secs Computing kpt #: 322 total cpu time spent up to now is 75.4 secs Computing kpt #: 323 total cpu time spent up to now is 75.6 secs Computing kpt #: 324 total cpu time spent up to now is 75.9 secs Computing kpt #: 325 total cpu time spent up to now is 76.1 secs Computing kpt #: 326 total cpu time spent up to now is 76.4 secs Computing kpt #: 327 total cpu time spent up to now is 76.6 secs Computing kpt #: 328 total cpu time spent up to now is 76.9 secs Computing kpt #: 329 total cpu time spent up to now is 77.1 secs Computing kpt #: 330 total cpu time spent up to now is 77.4 secs Computing kpt #: 331 total cpu time spent up to now is 77.7 secs Computing kpt #: 332 total cpu time spent up to now is 77.9 secs Computing kpt #: 333 total cpu time spent up to now is 78.2 secs Computing kpt #: 334 total cpu time spent up to now is 78.5 secs Computing kpt #: 335 total cpu time spent up to now is 78.7 secs Computing kpt #: 336 total cpu time spent up to now is 79.0 secs Computing kpt #: 337 total cpu time spent up to now is 79.3 secs Computing kpt #: 338 total cpu time spent up to now is 79.5 secs ethr = 2.94E-08, avg # of iterations = 19.6 total cpu time spent up to now is 79.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1419 PWs) bands (ev): 0.5897 0.5897 8.1108 8.1108 9.1132 9.1132 9.1132 9.1132 9.5146 9.5146 9.5345 9.5345 9.5345 9.5345 11.2353 11.2353 11.2353 11.2353 11.3330 11.3330 11.5729 11.5729 11.7154 11.7154 11.7154 11.7154 12.0299 12.0299 12.0299 12.0299 12.3164 12.3164 12.5451 12.5451 12.6296 12.6296 12.6296 12.6296 15.7990 15.7990 18.9354 18.9354 k = 0.0000 0.0114-0.0000 ( 1455 PWs) bands (ev): 0.5910 0.5910 8.1108 8.1108 9.1104 9.1104 9.1139 9.1139 9.5138 9.5138 9.5335 9.5335 9.5341 9.5341 11.2275 11.2275 11.2327 11.2327 11.3283 11.3283 11.5771 11.5771 11.7114 11.7114 11.7212 11.7212 12.0299 12.0299 12.0304 12.0304 12.3154 12.3154 12.5461 12.5461 12.6300 12.6300 12.6313 12.6313 15.8048 15.8048 18.9355 18.9355 k = 0.0000 0.0227-0.0000 ( 1455 PWs) bands (ev): 0.5951 0.5951 8.1113 8.1113 9.1023 9.1023 9.1167 9.1167 9.5136 9.5136 9.5327 9.5327 9.5346 9.5346 11.2065 11.2065 11.2250 11.2250 11.3166 11.3166 11.5854 11.5854 11.7025 11.7025 11.7371 11.7371 12.0303 12.0303 12.0324 12.0324 12.3139 12.3139 12.5505 12.5505 12.6328 12.6328 12.6377 12.6377 15.8219 15.8219 18.9357 18.9357 k = 0.0000 0.0341-0.0000 ( 1455 PWs) bands (ev): 0.6019 0.6019 8.1120 8.1120 9.0888 9.0888 9.1215 9.1215 9.5130 9.5130 9.5314 9.5314 9.5357 9.5357 11.1758 11.1758 11.2104 11.2104 11.3021 11.3021 11.5855 11.5855 11.6983 11.6983 11.7602 11.7602 12.0309 12.0309 12.0349 12.0349 12.3112 12.3112 12.5573 12.5573 12.6382 12.6382 12.6488 12.6488 15.8496 15.8496 18.9360 18.9360 k = 0.0000 0.0455-0.0000 ( 1455 PWs) bands (ev): 0.6114 0.6114 8.1128 8.1128 9.0699 9.0699 9.1281 9.1281 9.5120 9.5120 9.5295 9.5295 9.5373 9.5373 11.1392 11.1392 11.1878 11.1878 11.2888 11.2888 11.5656 11.5656 11.7090 11.7090 11.7871 11.7871 12.0318 12.0318 12.0368 12.0368 12.3075 12.3075 12.5654 12.5654 12.6475 12.6475 12.6648 12.6648 15.8866 15.8866 18.9366 18.9366 k = 0.0000 0.0568-0.0000 ( 1455 PWs) bands (ev): 0.6236 0.6236 8.1134 8.1134 9.0458 9.0458 9.1365 9.1365 9.5103 9.5103 9.5272 9.5272 9.5397 9.5397 11.0991 11.0991 11.1582 11.1582 11.2781 11.2781 11.5283 11.5283 11.7309 11.7309 11.8148 11.8148 12.0330 12.0330 12.0377 12.0377 12.3028 12.3028 12.5734 12.5734 12.6623 12.6623 12.6863 12.6863 15.9315 15.9315 18.9372 18.9372 k = 0.0000 0.0682-0.0000 ( 1455 PWs) bands (ev): 0.6385 0.6385 8.1133 8.1133 9.0165 9.0165 9.1469 9.1469 9.5080 9.5080 9.5242 9.5242 9.5429 9.5429 11.0576 11.0576 11.1240 11.1240 11.2695 11.2695 11.4811 11.4811 11.7564 11.7564 11.8413 11.8413 12.0346 12.0346 12.0370 12.0370 12.2970 12.2970 12.5803 12.5803 12.6844 12.6844 12.7137 12.7137 15.9825 15.9825 18.9380 18.9380 k = 0.0000 0.0795-0.0000 ( 1458 PWs) bands (ev): 0.6560 0.6560 8.1122 8.1122 8.9824 8.9824 9.1590 9.1590 9.5050 9.5050 9.5206 9.5206 9.5469 9.5469 11.0155 11.0155 11.0874 11.0874 11.2618 11.2618 11.4285 11.4285 11.7813 11.7813 11.8649 11.8649 12.0343 12.0343 12.0365 12.0365 12.2901 12.2901 12.5854 12.5854 12.7143 12.7143 12.7475 12.7475 16.0378 16.0378 18.9390 18.9390 k = 0.0000 0.0909-0.0000 ( 1450 PWs) bands (ev): 0.6762 0.6762 8.1091 8.1091 8.9441 8.9441 9.1730 9.1730 9.5014 9.5014 9.5166 9.5166 9.5516 9.5516 10.9741 10.9741 11.0500 11.0500 11.2544 11.2544 11.3733 11.3733 11.8035 11.8035 11.8845 11.8845 12.0303 12.0303 12.0387 12.0387 12.2824 12.2824 12.5891 12.5891 12.7523 12.7523 12.7882 12.7882 16.0956 16.0956 18.9401 18.9401 k = 0.0000 0.1023-0.0000 ( 1450 PWs) bands (ev): 0.6991 0.6991 8.1030 8.1030 8.9025 8.9025 9.1887 9.1887 9.4970 9.4970 9.5118 9.5118 9.5571 9.5571 10.9335 10.9335 11.0127 11.0127 11.2469 11.2469 11.3174 11.3174 11.8219 11.8219 11.8998 11.8998 12.0245 12.0245 12.0410 12.0410 12.2735 12.2735 12.5916 12.5916 12.7977 12.7977 12.8354 12.8354 16.1541 16.1541 18.9414 18.9414 k = 0.0000 0.1136-0.0000 ( 1458 PWs) bands (ev): 0.7246 0.7246 8.0925 8.0925 8.8589 8.8589 9.2061 9.2061 9.4917 9.4917 9.5062 9.5062 9.5633 9.5633 10.8940 10.8940 10.9758 10.9758 11.2391 11.2391 11.2623 11.2623 11.8359 11.8359 11.9105 11.9105 12.0170 12.0170 12.0429 12.0429 12.2636 12.2636 12.5935 12.5935 12.8502 12.8502 12.8894 12.8894 16.2120 16.2120 18.9428 18.9428 k = 0.0000 0.1250-0.0000 ( 1458 PWs) bands (ev): 0.7526 0.7526 8.0760 8.0760 8.8151 8.8151 9.2252 9.2252 9.4859 9.4859 9.5001 9.5001 9.5702 9.5702 10.8567 10.8567 10.9405 10.9405 11.2092 11.2092 11.2310 11.2310 11.8457 11.8457 11.9171 11.9171 12.0080 12.0080 12.0446 12.0446 12.2527 12.2527 12.5948 12.5948 12.9094 12.9094 12.9496 12.9496 16.2679 16.2679 18.9443 18.9443 k = 0.0000 0.1364-0.0000 ( 1458 PWs) bands (ev): 0.7832 0.7832 8.0514 8.0514 8.7732 8.7732 9.2459 9.2459 9.4793 9.4793 9.4932 9.4932 9.5777 9.5777 10.8213 10.8213 10.9068 10.9068 11.1589 11.1589 11.2224 11.2224 11.8512 11.8512 11.9200 11.9200 11.9976 11.9976 12.0456 12.0456 12.2409 12.2409 12.5958 12.5958 12.9746 12.9746 13.0159 13.0159 16.3208 16.3208 18.9461 18.9461 k = 0.0000 0.1477-0.0000 ( 1458 PWs) bands (ev): 0.8163 0.8163 8.0165 8.0165 8.7358 8.7358 9.2682 9.2682 9.4721 9.4721 9.4856 9.4856 9.5859 9.5859 10.7882 10.7882 10.8750 10.8750 11.1119 11.1119 11.2134 11.2134 11.8527 11.8527 11.9195 11.9195 11.9858 11.9858 12.0458 12.0458 12.2283 12.2283 12.5966 12.5966 13.0453 13.0453 13.0875 13.0875 16.3700 16.3700 18.9479 18.9479 k = 0.0000 0.1591-0.0000 ( 1450 PWs) bands (ev): 0.8519 0.8519 7.9696 7.9696 8.7049 8.7049 9.2920 9.2920 9.4643 9.4643 9.4773 9.4773 9.5948 9.5948 10.7575 10.7575 10.8451 10.8451 11.0688 11.0688 11.2038 11.2038 11.8507 11.8507 11.9163 11.9163 11.9727 11.9727 12.0451 12.0451 12.2151 12.2151 12.5972 12.5972 13.1211 13.1211 13.1641 13.1641 16.4150 16.4150 18.9500 18.9500 k = 0.0000 0.1705-0.0000 ( 1450 PWs) bands (ev): 0.8900 0.8900 7.9097 7.9097 8.6821 8.6821 9.3170 9.3170 9.4560 9.4560 9.4682 9.4682 9.6041 9.6041 10.7292 10.7292 10.8174 10.8174 11.0296 11.0296 11.1938 11.1938 11.8454 11.8454 11.9103 11.9103 11.9584 11.9584 12.0434 12.0434 12.2011 12.2011 12.5976 12.5976 13.2013 13.2013 13.2451 13.2451 16.4555 16.4555 18.9521 18.9521 k = 0.0000 0.1818-0.0000 ( 1454 PWs) bands (ev): 0.9304 0.9304 7.8368 7.8368 8.6677 8.6677 9.3431 9.3431 9.4473 9.4473 9.4583 9.4583 9.6139 9.6139 10.7032 10.7032 10.7917 10.7917 10.9945 10.9945 11.1833 11.1833 11.8371 11.8371 11.9018 11.9018 11.9429 11.9429 12.0406 12.0406 12.1867 12.1867 12.5980 12.5980 13.2856 13.2856 13.3301 13.3301 16.4914 16.4914 18.9545 18.9545 k = 0.0000 0.1932-0.0000 ( 1454 PWs) bands (ev): 0.9731 0.9731 7.7521 7.7521 8.6613 8.6613 9.3695 9.3695 9.4390 9.4390 9.4478 9.4478 9.6242 9.6242 10.6800 10.6800 10.7685 10.7685 10.9633 10.9633 11.1724 11.1724 11.8264 11.8264 11.8913 11.8913 11.9264 11.9264 12.0368 12.0368 12.1722 12.1722 12.5983 12.5983 13.3735 13.3735 13.4188 13.4188 16.5228 16.5228 18.9569 18.9569 k = 0.0000 0.2045-0.0000 ( 1454 PWs) bands (ev): 1.0181 1.0181 7.6572 7.6572 8.6619 8.6619 9.3931 9.3931 9.4342 9.4342 9.4366 9.4366 9.6349 9.6349 10.6592 10.6592 10.7475 10.7475 10.9360 10.9360 11.1611 11.1611 11.8135 11.8135 11.8788 11.8788 11.9088 11.9088 12.0317 12.0317 12.1578 12.1578 12.5985 12.5985 13.4646 13.4646 13.5106 13.5106 16.5497 16.5497 18.9596 18.9596 k = 0.0000 0.2159-0.0000 ( 1454 PWs) bands (ev): 1.0653 1.0653 7.5538 7.5538 8.6682 8.6682 9.4016 9.4016 9.4248 9.4248 9.4450 9.4450 9.6460 9.6460 10.6410 10.6410 10.7288 10.7288 10.9123 10.9123 11.1495 11.1495 11.7988 11.7988 11.8645 11.8645 11.8903 11.8903 12.0249 12.0249 12.1441 12.1441 12.5987 12.5987 13.5587 13.5587 13.6055 13.6055 16.5725 16.5725 18.9623 18.9623 k = 0.0000 0.2273-0.0000 ( 1458 PWs) bands (ev): 1.1146 1.1146 7.4433 7.4433 8.6794 8.6794 9.3951 9.3951 9.4125 9.4125 9.4716 9.4716 9.6576 9.6576 10.6251 10.6251 10.7124 10.7124 10.8917 10.8917 11.1375 11.1375 11.7824 11.7824 11.8487 11.8487 11.8708 11.8708 12.0160 12.0160 12.1316 12.1316 12.5989 12.5989 13.6555 13.6555 13.7030 13.7030 16.5914 16.5914 18.9652 18.9652 k = 0.0000 0.2386-0.0000 ( 1450 PWs) bands (ev): 1.1659 1.1659 7.3278 7.3278 8.6944 8.6944 9.3847 9.3847 9.3998 9.3998 9.5027 9.5027 9.6695 9.6695 10.6117 10.6117 10.6983 10.6983 10.8746 10.8746 11.1253 11.1253 11.7647 11.7647 11.8315 11.8315 11.8507 11.8507 12.0048 12.0048 12.1207 12.1207 12.5993 12.5993 13.7546 13.7546 13.8029 13.8029 16.6066 16.6066 18.9683 18.9683 k = 0.0000 0.2500-0.0000 ( 1446 PWs) bands (ev): 1.2191 1.2191 7.2083 7.2083 8.7123 8.7123 9.3729 9.3729 9.3866 9.3866 9.5356 9.5356 9.6819 9.6819 10.6005 10.6005 10.6863 10.6863 10.8602 10.8602 11.1129 11.1129 11.7460 11.7460 11.8133 11.8133 11.8297 11.8297 11.9909 11.9909 12.1116 12.1116 12.5994 12.5994 13.8560 13.8560 13.9051 13.9051 16.6185 16.6185 18.9714 18.9714 k = 0.0000 0.2614-0.0000 ( 1458 PWs) bands (ev): 1.2741 1.2741 7.0859 7.0859 8.7325 8.7325 9.3600 9.3600 9.3726 9.3726 9.5693 9.5693 9.6944 9.6944 10.5912 10.5912 10.6761 10.6761 10.8484 10.8484 11.1002 11.1002 11.7263 11.7263 11.7940 11.7940 11.8080 11.8080 11.9741 11.9741 12.1044 12.1044 12.5995 12.5995 13.9592 13.9592 14.0093 14.0093 16.6274 16.6274 18.9747 18.9747 k = 0.0000 0.2727-0.0000 ( 1458 PWs) bands (ev): 1.3307 1.3307 6.9617 6.9617 8.7548 8.7548 9.3472 9.3472 9.3589 9.3589 9.6039 9.6039 9.7073 9.7073 10.5841 10.5841 10.6681 10.6681 10.8389 10.8389 11.0874 11.0874 11.7059 11.7059 11.7740 11.7740 11.7858 11.7858 11.9551 11.9551 12.0990 12.0990 12.5996 12.5996 14.0643 14.0643 14.1153 14.1153 16.6335 16.6335 18.9780 18.9780 k = 0.0000 0.2841-0.0000 ( 1458 PWs) bands (ev): 1.3888 1.3888 6.8364 6.8364 8.7784 8.7784 9.3343 9.3343 9.3451 9.3451 9.6389 9.6389 9.7207 9.7207 10.5789 10.5789 10.6618 10.6618 10.8314 10.8314 11.0745 11.0745 11.6850 11.6850 11.7533 11.7533 11.7631 11.7631 11.9342 11.9342 12.0949 12.0949 12.5997 12.5997 14.1708 14.1708 14.2229 14.2229 16.6372 16.6372 18.9814 18.9814 k = 0.0000 0.2955-0.0000 ( 1466 PWs) bands (ev): 1.4482 1.4482 6.7110 6.7110 8.8031 8.8031 9.3213 9.3213 9.3312 9.3312 9.6735 9.6735 9.7347 9.7347 10.5753 10.5753 10.6573 10.6573 10.8257 10.8257 11.0616 11.0616 11.6637 11.6637 11.7322 11.7322 11.7398 11.7398 11.9112 11.9112 12.0919 12.0919 12.5998 12.5998 14.2786 14.2786 14.3319 14.3319 16.6388 16.6388 18.9848 18.9848 k = 0.0000 0.3068-0.0000 ( 1466 PWs) bands (ev): 1.5086 1.5086 6.5860 6.5860 8.8286 8.8286 9.3083 9.3083 9.3175 9.3175 9.7070 9.7070 9.7503 9.7503 10.5734 10.5734 10.6544 10.6544 10.8216 10.8216 11.0488 11.0488 11.6423 11.6423 11.7109 11.7109 11.7166 11.7166 11.8874 11.8874 12.0897 12.0897 12.5999 12.5999 14.3875 14.3875 14.4422 14.4422 16.6384 16.6384 18.9882 18.9882 k = 0.0000 0.3182-0.0000 ( 1466 PWs) bands (ev): 1.5700 1.5700 6.4622 6.4622 8.8545 8.8545 9.2956 9.2956 9.3040 9.3040 9.7362 9.7362 9.7702 9.7702 10.5730 10.5730 10.6529 10.6529 10.8188 10.8188 11.0361 11.0361 11.6207 11.6207 11.6894 11.6894 11.6932 11.6932 11.8627 11.8627 12.0881 12.0881 12.5999 12.5999 14.4973 14.4973 14.5535 14.5535 16.6365 16.6365 18.9916 18.9916 k = 0.0000 0.3295-0.0000 ( 1458 PWs) bands (ev): 1.6319 1.6319 6.3403 6.3403 8.8806 8.8806 9.2832 9.2832 9.2909 9.2909 9.7577 9.7577 9.7976 9.7976 10.5739 10.5739 10.6528 10.6528 10.8177 10.8177 11.0237 11.0237 11.5996 11.5996 11.6682 11.6682 11.6700 11.6700 11.8374 11.8374 12.0869 12.0869 12.6000 12.6000 14.6076 14.6076 14.6656 14.6656 16.6332 16.6332 18.9947 18.9947 k = 0.0000 0.3409-0.0000 ( 1458 PWs) bands (ev): 1.6942 1.6942 6.2207 6.2207 8.9065 8.9065 9.2711 9.2711 9.2782 9.2782 9.7735 9.7735 9.8300 9.8300 10.5759 10.5759 10.6538 10.6538 10.8171 10.8171 11.0116 11.0116 11.5785 11.5785 11.6468 11.6468 11.6470 11.6470 11.8117 11.8117 12.0861 12.0861 12.6000 12.6000 14.7182 14.7182 14.7781 14.7781 16.6288 16.6288 18.9974 18.9974 k = 0.0000 0.3523-0.0000 ( 1462 PWs) bands (ev): 1.7563 1.7563 6.1042 6.1042 8.9320 8.9320 9.2595 9.2595 9.2660 9.2660 9.7870 9.7870 9.8639 9.8639 10.5789 10.5789 10.6559 10.6559 10.8172 10.8172 10.9998 10.9998 11.5576 11.5576 11.6241 11.6241 11.6260 11.6260 11.7858 11.7858 12.0856 12.0856 12.6001 12.6001 14.8287 14.8287 14.8908 14.8908 16.6235 16.6235 18.9989 18.9989 k = 0.0000 0.3636-0.0000 ( 1462 PWs) bands (ev): 1.8179 1.8179 5.9915 5.9915 8.9569 8.9569 9.2485 9.2485 9.2544 9.2544 9.7994 9.7994 9.8978 9.8978 10.5827 10.5827 10.6587 10.6587 10.8180 10.8180 10.9886 10.9886 11.5375 11.5375 11.6018 11.6018 11.6057 11.6057 11.7600 11.7600 12.0852 12.0852 12.6001 12.6001 14.9386 14.9386 15.0033 15.0033 16.6176 16.6176 18.9955 18.9955 k = 0.0000 0.3750-0.0000 ( 1462 PWs) bands (ev): 1.8786 1.8786 5.8831 5.8831 8.9810 8.9810 9.2380 9.2380 9.2435 9.2435 9.8110 9.8110 9.9310 9.9310 10.5872 10.5872 10.6623 10.6623 10.8194 10.8194 10.9779 10.9779 11.5182 11.5182 11.5803 11.5803 11.5860 11.5860 11.7346 11.7346 12.0850 12.0850 12.6001 12.6001 15.0474 15.0474 15.1150 15.1150 16.6112 16.6112 18.9483 18.9483 k = 0.0000 0.3864-0.0000 ( 1462 PWs) bands (ev): 1.9377 1.9377 5.7800 5.7800 9.0038 9.0038 9.2283 9.2283 9.2333 9.2333 9.8218 9.8218 9.9630 9.9630 10.5921 10.5921 10.6663 10.6663 10.8211 10.8211 10.9678 10.9678 11.4998 11.4998 11.5597 11.5597 11.5672 11.5672 11.7098 11.7098 12.0849 12.0849 12.6002 12.6002 15.1546 15.1546 15.2254 15.2254 16.6046 16.6046 18.8248 18.8248 k = 0.0000 0.3977-0.0000 ( 1470 PWs) bands (ev): 1.9948 1.9948 5.6826 5.6826 9.0250 9.0250 9.2190 9.2190 9.2238 9.2238 9.8319 9.8319 9.9933 9.9933 10.5973 10.5973 10.6707 10.6707 10.8231 10.8231 10.9585 10.9585 11.4824 11.4824 11.5401 11.5401 11.5495 11.5495 11.6859 11.6859 12.0849 12.0849 12.6002 12.6002 15.2593 15.2593 15.3337 15.3337 16.5980 16.5980 18.6928 18.6928 k = 0.0000 0.4091-0.0000 ( 1466 PWs) bands (ev): 2.0490 2.0490 5.5920 5.5920 9.0449 9.0449 9.2108 9.2108 9.2155 9.2155 9.8411 9.8411 10.0219 10.0219 10.6027 10.6027 10.6753 10.6753 10.8252 10.8252 10.9500 10.9500 11.4664 11.4664 11.5220 11.5220 11.5329 11.5329 11.6635 11.6635 12.0849 12.0849 12.6002 12.6002 15.3605 15.3605 15.4391 15.4391 16.5916 16.5916 18.5645 18.5645 k = 0.0000 0.4205-0.0000 ( 1474 PWs) bands (ev): 2.0998 2.0998 5.5090 5.5090 9.0628 9.0628 9.2032 9.2032 9.2078 9.2078 9.8495 9.8495 10.0481 10.0481 10.6078 10.6078 10.6797 10.6797 10.8273 10.8273 10.9423 10.9423 11.4517 11.4517 11.5053 11.5053 11.5177 11.5177 11.6425 11.6425 12.0849 12.0849 12.6001 12.6001 15.4570 15.4570 15.5401 15.5401 16.5854 16.5854 18.4425 18.4425 k = 0.0000 0.4318-0.0000 ( 1474 PWs) bands (ev): 2.1462 2.1462 5.4344 5.4344 9.0787 9.0787 9.1967 9.1967 9.2015 9.2015 9.8570 9.8570 10.0718 10.0718 10.6128 10.6128 10.6841 10.6841 10.8294 10.8294 10.9356 10.9356 11.4386 11.4386 11.4903 11.4903 11.5041 11.5041 11.6234 11.6234 12.0850 12.0850 12.6002 12.6002 15.5474 15.5474 15.6355 15.6355 16.5798 16.5798 18.3288 18.3288 k = 0.0000 0.4432-0.0000 ( 1474 PWs) bands (ev): 2.1875 2.1875 5.3692 5.3692 9.0923 9.0923 9.1912 9.1912 9.1963 9.1963 9.8634 9.8634 10.0926 10.0926 10.6174 10.6174 10.6881 10.6881 10.8313 10.8313 10.9298 10.9298 11.4271 11.4271 11.4772 11.4772 11.4921 11.4921 11.6064 11.6064 12.0851 12.0851 12.6002 12.6002 15.6298 15.6298 15.7232 15.7232 16.5748 16.5748 18.2254 18.2254 k = 0.0000 0.4545-0.0000 ( 1474 PWs) bands (ev): 2.2227 2.2227 5.3142 5.3142 9.1035 9.1035 9.1866 9.1866 9.1922 9.1922 9.8688 9.8688 10.1101 10.1101 10.6214 10.6214 10.6917 10.6917 10.8330 10.8330 10.9251 10.9251 11.4176 11.4176 11.4662 11.4662 11.4821 11.4821 11.5921 11.5921 12.0852 12.0852 12.6002 12.6002 15.7022 15.7022 15.8009 15.8009 16.5705 16.5705 18.1348 18.1348 k = 0.0000 0.4659-0.0000 ( 1474 PWs) bands (ev): 2.2511 2.2511 5.2704 5.2704 9.1121 9.1121 9.1831 9.1831 9.1892 9.1892 9.8731 9.8731 10.1240 10.1240 10.6247 10.6247 10.6946 10.6946 10.8344 10.8344 10.9214 10.9214 11.4100 11.4100 11.4574 11.4574 11.4741 11.4741 11.5806 11.5806 12.0852 12.0852 12.6002 12.6002 15.7622 15.7622 15.8659 15.8659 16.5671 16.5671 18.0598 18.0598 k = 0.0000 0.4773-0.0000 ( 1466 PWs) bands (ev): 2.2720 2.2720 5.2386 5.2386 9.1182 9.1182 9.1805 9.1805 9.1873 9.1873 9.8763 9.8763 10.1342 10.1342 10.6273 10.6273 10.6969 10.6969 10.8355 10.8355 10.9188 10.9188 11.4049 11.4049 11.4511 11.4511 11.4686 11.4686 11.5722 11.5722 12.0853 12.0853 12.6002 12.6002 15.8073 15.8073 15.9152 15.9152 16.5645 16.5645 18.0032 18.0032 k = 0.0000 0.4886-0.0000 ( 1462 PWs) bands (ev): 2.2848 2.2848 5.2192 5.2192 9.1218 9.1218 9.1790 9.1790 9.1862 9.1862 9.8781 9.8781 10.1404 10.1404 10.6288 10.6288 10.6982 10.6982 10.8364 10.8364 10.9172 10.9172 11.4016 11.4016 11.4474 11.4474 11.4652 11.4652 11.5670 11.5670 12.0853 12.0853 12.6002 12.6002 15.8355 15.8355 15.9462 15.9462 16.5630 16.5630 17.9679 17.9679 k = 0.0000 0.5000-0.0000 ( 1462 PWs) bands (ev): 2.2891 2.2891 5.2127 5.2127 9.1230 9.1230 9.1785 9.1785 9.1858 9.1858 9.8788 9.8788 10.1424 10.1424 10.6293 10.6293 10.6987 10.6987 10.8366 10.8366 10.9167 10.9167 11.4005 11.4005 11.4461 11.4461 11.4640 11.4640 11.5653 11.5653 12.0854 12.0854 12.6002 12.6002 15.8450 15.8450 15.9567 15.9567 16.5625 16.5625 17.9559 17.9559 k = 0.0000 0.5000-0.0000 ( 1462 PWs) bands (ev): 2.2891 2.2891 5.2127 5.2127 9.1230 9.1230 9.1785 9.1785 9.1858 9.1858 9.8788 9.8788 10.1424 10.1424 10.6293 10.6293 10.6987 10.6987 10.8366 10.8366 10.9167 10.9167 11.4005 11.4005 11.4461 11.4461 11.4640 11.4640 11.5653 11.5653 12.0854 12.0854 12.6002 12.6002 15.8450 15.8450 15.9567 15.9567 16.5625 16.5625 17.9559 17.9559 k = 0.0114 0.5000-0.0000 ( 1462 PWs) bands (ev): 2.2902 2.2902 5.2140 5.2140 9.1234 9.1234 9.1769 9.1769 9.1848 9.1848 9.8790 9.8790 10.1429 10.1429 10.6282 10.6282 10.6973 10.6973 10.8383 10.8383 10.9168 10.9168 11.3956 11.3956 11.4409 11.4409 11.4749 11.4749 11.5654 11.5654 12.0849 12.0849 12.5991 12.5991 15.8296 15.8296 15.9428 15.9428 16.5906 16.5906 17.9432 17.9432 k = 0.0227 0.5000-0.0000 ( 1466 PWs) bands (ev): 2.2935 2.2935 5.2180 5.2180 9.1244 9.1244 9.1708 9.1708 9.1829 9.1829 9.8796 9.8796 10.1442 10.1442 10.6245 10.6245 10.6935 10.6935 10.8428 10.8428 10.9174 10.9174 11.3823 11.3823 11.4371 11.4371 11.4940 11.4940 11.5658 11.5658 12.0834 12.0834 12.5956 12.5956 15.7714 15.7714 15.9257 15.9257 16.6620 16.6620 17.8909 17.8909 k = 0.0341 0.5000-0.0000 ( 1470 PWs) bands (ev): 2.2989 2.2989 5.2247 5.2247 9.1255 9.1255 9.1599 9.1599 9.1814 9.1814 9.8803 9.8803 10.1464 10.1464 10.6179 10.6179 10.6886 10.6886 10.8489 10.8489 10.9185 10.9185 11.3648 11.3648 11.4370 11.4370 11.5150 11.5150 11.5664 11.5664 12.0814 12.0814 12.5899 12.5899 15.6736 15.6736 15.9231 15.9231 16.7555 16.7555 17.7917 17.7917 k = 0.0455 0.5000-0.0000 ( 1474 PWs) bands (ev): 2.3066 2.3066 5.2341 5.2341 9.1232 9.1232 9.1478 9.1478 9.1799 9.1799 9.8817 9.8817 10.1494 10.1494 10.6082 10.6082 10.6839 10.6839 10.8552 10.8552 10.9210 10.9210 11.3458 11.3458 11.4389 11.4389 11.5365 11.5365 11.5673 11.5673 12.0784 12.0784 12.5820 12.5820 15.5559 15.5559 15.9296 15.9296 16.8569 16.8569 17.6596 17.6596 k = 0.0568 0.5000-0.0000 ( 1472 PWs) bands (ev): 2.3164 2.3164 5.2461 5.2461 9.1087 9.1087 9.1436 9.1436 9.1784 9.1784 9.8836 9.8836 10.1533 10.1533 10.5954 10.5954 10.6803 10.6803 10.8604 10.8604 10.9254 10.9254 11.3266 11.3266 11.4421 11.4421 11.5582 11.5582 11.5687 11.5687 12.0747 12.0747 12.5719 12.5719 15.4295 15.4295 15.9412 15.9412 16.9585 16.9585 17.5066 17.5066 k = 0.0682 0.5000-0.0000 ( 1468 PWs) bands (ev): 2.3283 2.3283 5.2608 5.2608 9.0832 9.0832 9.1462 9.1462 9.1772 9.1772 9.8859 9.8859 10.1578 10.1578 10.5800 10.5800 10.6779 10.6779 10.8634 10.8634 10.9322 10.9322 11.3077 11.3077 11.4463 11.4463 11.5686 11.5686 11.5815 11.5815 12.0702 12.0702 12.5597 12.5597 15.2996 15.2996 15.9568 15.9568 17.0563 17.0563 17.3401 17.3401 k = 0.0795 0.5000-0.0000 ( 1472 PWs) bands (ev): 2.3424 2.3424 5.2781 5.2781 9.0513 9.0513 9.1500 9.1500 9.1769 9.1769 9.8885 9.8885 10.1627 10.1627 10.5625 10.5625 10.6763 10.6763 10.8639 10.8639 10.9409 10.9409 11.2892 11.2892 11.4510 11.4510 11.5701 11.5701 11.6030 11.6030 12.0648 12.0648 12.5455 12.5455 15.1691 15.1691 15.9758 15.9758 17.1478 17.1478 17.1652 17.1652 k = 0.0909 0.5000-0.0000 ( 1472 PWs) bands (ev): 2.3586 2.3586 5.2980 5.2980 9.0140 9.0140 9.1527 9.1527 9.1786 9.1786 9.8916 9.8916 10.1679 10.1679 10.5435 10.5435 10.6756 10.6756 10.8627 10.8627 10.9511 10.9511 11.2717 11.2717 11.4565 11.4565 11.5714 11.5714 11.6245 11.6245 12.0587 12.0587 12.5294 12.5294 15.0396 15.0396 15.9980 15.9980 16.9841 16.9841 17.2333 17.2333 k = 0.1023 0.5000-0.0000 ( 1474 PWs) bands (ev): 2.3768 2.3768 5.3205 5.3205 8.9719 8.9719 9.1530 9.1530 9.1835 9.1835 9.8951 9.8951 10.1733 10.1733 10.5233 10.5233 10.6754 10.6754 10.8600 10.8600 10.9622 10.9622 11.2553 11.2553 11.4626 11.4626 11.5726 11.5726 11.6456 11.6456 12.0518 12.0518 12.5115 12.5115 14.9125 14.9125 16.0232 16.0232 16.8002 16.8002 17.3113 17.3113 k = 0.1136 0.5000-0.0000 ( 1478 PWs) bands (ev): 2.3971 2.3971 5.3455 5.3455 8.9253 8.9253 9.1511 9.1511 9.1912 9.1912 9.8990 9.8990 10.1788 10.1788 10.5024 10.5024 10.6757 10.6757 10.8563 10.8563 10.9736 10.9736 11.2400 11.2400 11.4691 11.4691 11.5737 11.5737 11.6660 11.6660 12.0441 12.0441 12.4917 12.4917 14.7884 14.7884 16.0514 16.0514 16.6148 16.6148 17.3824 17.3824 k = 0.1250 0.5000-0.0000 ( 1478 PWs) bands (ev): 2.4195 2.4195 5.3729 5.3729 8.8744 8.8744 9.1477 9.1477 9.2011 9.2011 9.9032 9.9032 10.1844 10.1844 10.4809 10.4809 10.6764 10.6764 10.8520 10.8520 10.9849 10.9849 11.2260 11.2260 11.4759 11.4759 11.5746 11.5746 11.6859 11.6859 12.0357 12.0357 12.4705 12.4705 14.6679 14.6679 16.0822 16.0822 16.4294 16.4294 17.4473 17.4473 k = 0.1364 0.5000-0.0000 ( 1478 PWs) bands (ev): 2.4438 2.4438 5.4029 5.4029 8.8195 8.8195 9.1435 9.1435 9.2122 9.2122 9.9078 9.9078 10.1900 10.1900 10.4590 10.4590 10.6773 10.6773 10.8472 10.8472 10.9959 10.9959 11.2135 11.2135 11.4829 11.4829 11.5754 11.5754 11.7048 11.7048 12.0265 12.0265 12.4479 12.4479 14.5517 14.5517 16.1147 16.1147 16.2460 16.2460 17.5068 17.5068 k = 0.1477 0.5000-0.0000 ( 1480 PWs) bands (ev): 2.4701 2.4701 5.4352 5.4352 8.7607 8.7607 9.1387 9.1387 9.2244 9.2244 9.9127 9.9127 10.1952 10.1952 10.4369 10.4369 10.6784 10.6784 10.8422 10.8422 11.0063 11.0063 11.2027 11.2027 11.4900 11.4900 11.5757 11.5757 11.7229 11.7229 12.0164 12.0164 12.4240 12.4240 14.4399 14.4399 16.0564 16.0564 16.1578 16.1578 17.5616 17.5616 k = 0.1591 0.5000-0.0000 ( 1480 PWs) bands (ev): 2.4983 2.4983 5.4699 5.4699 8.6983 8.6983 9.1334 9.1334 9.2374 9.2374 9.9180 9.9180 10.2002 10.2002 10.4148 10.4148 10.6798 10.6798 10.8369 10.8369 11.0161 11.0161 11.1935 11.1935 11.4972 11.4972 11.5757 11.5757 11.7399 11.7399 12.0058 12.0058 12.3989 12.3989 14.3328 14.3328 15.8775 15.8775 16.1951 16.1951 17.6125 17.6125 k = 0.1705 0.5000-0.0000 ( 1484 PWs) bands (ev): 2.5283 2.5283 5.5069 5.5069 8.6324 8.6324 9.1278 9.1278 9.2510 9.2510 9.9236 9.9236 10.2046 10.2046 10.3926 10.3926 10.6813 10.6813 10.8317 10.8317 11.0250 11.0250 11.1861 11.1861 11.5044 11.5044 11.5752 11.5752 11.7555 11.7555 11.9944 11.9944 12.3727 12.3727 14.2306 14.2306 15.6994 15.6994 16.2371 16.2371 17.6602 17.6602 k = 0.1818 0.5000-0.0000 ( 1480 PWs) bands (ev): 2.5601 2.5601 5.5461 5.5461 8.5633 8.5633 9.1222 9.1222 9.2650 9.2650 9.9294 9.9294 10.2087 10.2087 10.3707 10.3707 10.6832 10.6832 10.8265 10.8265 11.0332 11.0332 11.1807 11.1807 11.5115 11.5115 11.5741 11.5741 11.7699 11.7699 11.9825 11.9825 12.3458 12.3458 14.1336 14.1336 15.5244 15.5244 16.2820 16.2820 17.7054 17.7054 k = 0.1932 0.5000-0.0000 ( 1488 PWs) bands (ev): 2.5936 2.5936 5.5875 5.5875 8.4912 8.4912 9.1159 9.1159 9.2793 9.2793 9.9352 9.9352 10.2121 10.2121 10.3490 10.3490 10.6849 10.6849 10.8213 10.8213 11.0405 11.0405 11.1770 11.1770 11.5185 11.5185 11.5724 11.5724 11.7827 11.7827 11.9699 11.9699 12.3180 12.3180 14.0417 14.0417 15.3531 15.3531 16.3295 16.3295 17.7484 17.7484 k = 0.2045 0.5000-0.0000 ( 1488 PWs) bands (ev): 2.6287 2.6287 5.6309 5.6309 8.4165 8.4165 9.1096 9.1096 9.2937 9.2937 9.9416 9.9416 10.2147 10.2147 10.3279 10.3279 10.6869 10.6869 10.8165 10.8165 11.0472 11.0472 11.1753 11.1753 11.5252 11.5252 11.5699 11.5699 11.7939 11.7939 11.9569 11.9569 12.2897 12.2897 13.9550 13.9550 15.1860 15.1860 16.3795 16.3795 17.7899 17.7899 k = 0.2159 0.5000-0.0000 ( 1488 PWs) bands (ev): 2.6654 2.6654 5.6763 5.6763 8.3394 8.3394 9.1031 9.1031 9.3080 9.3080 9.9482 9.9482 10.2164 10.2164 10.3075 10.3075 10.6889 10.6889 10.8118 10.8118 11.0534 11.0534 11.1753 11.1753 11.5316 11.5316 11.5668 11.5668 11.8031 11.8031 11.9435 11.9435 12.2609 12.2609 13.8735 13.8735 15.0236 15.0236 16.4319 16.4319 17.8301 17.8301 k = 0.2273 0.5000-0.0000 ( 1490 PWs) bands (ev): 2.7036 2.7036 5.7235 5.7235 8.2601 8.2601 9.0963 9.0963 9.3219 9.3219 9.9550 9.9550 10.2170 10.2170 10.2882 10.2882 10.6909 10.6909 10.8076 10.8076 11.0592 11.0592 11.1769 11.1769 11.5373 11.5373 11.5632 11.5632 11.8100 11.8100 11.9299 11.9299 12.2319 12.2319 13.7972 13.7972 14.8663 14.8663 16.4866 16.4866 17.8693 17.8693 k = 0.2386 0.5000-0.0000 ( 1498 PWs) bands (ev): 2.7431 2.7431 5.7725 5.7725 8.1791 8.1791 9.0896 9.0896 9.3351 9.3351 9.9617 9.9617 10.2159 10.2159 10.2706 10.2706 10.6929 10.6929 10.8036 10.8036 11.0648 11.0648 11.1796 11.1796 11.5414 11.5414 11.5597 11.5597 11.8141 11.8141 11.9165 11.9165 12.2026 12.2026 13.7261 13.7261 14.7144 14.7144 16.5435 16.5435 17.9078 17.9078 k = 0.2500 0.5000-0.0000 ( 1498 PWs) bands (ev): 2.7838 2.7838 5.8231 5.8231 8.0967 8.0967 9.0828 9.0828 9.3477 9.3477 9.9688 9.9688 10.2123 10.2123 10.2557 10.2557 10.6950 10.6950 10.8000 10.8000 11.0706 11.0706 11.1834 11.1834 11.5417 11.5417 11.5590 11.5590 11.8148 11.8148 11.9039 11.9039 12.1734 12.1734 13.6601 13.6601 14.5684 14.5684 16.6025 16.6025 17.9456 17.9456 k = 0.2614 0.5000-0.0000 ( 1498 PWs) bands (ev): 2.8257 2.8257 5.8751 5.8751 8.0132 8.0132 9.0761 9.0761 9.3592 9.3592 9.9760 9.9760 10.2051 10.2051 10.2449 10.2449 10.6971 10.6971 10.7968 10.7968 11.0768 11.0768 11.1880 11.1880 11.5371 11.5371 11.5618 11.5618 11.8114 11.8114 11.8926 11.8926 12.1442 12.1442 13.5990 13.5990 14.4287 14.4287 16.6633 16.6633 17.9829 17.9829 k = 0.2727 0.5000-0.0000 ( 1494 PWs) bands (ev): 2.8685 2.8685 5.9284 5.9284 7.9290 7.9290 9.0694 9.0694 9.3692 9.3692 9.9832 9.9832 10.1948 10.1948 10.2380 10.2380 10.6993 10.6993 10.7941 10.7941 11.0835 11.0835 11.1932 11.1932 11.5296 11.5296 11.5662 11.5662 11.8034 11.8034 11.8831 11.8831 12.1155 12.1155 13.5428 13.5428 14.2956 14.2956 16.7260 16.7260 18.0198 18.0198 k = 0.2841 0.5000-0.0000 ( 1490 PWs) bands (ev): 2.9121 2.9121 5.9829 5.9829 7.8445 7.8445 9.0628 9.0628 9.3775 9.3775 9.9906 9.9906 10.1829 10.1829 10.2335 10.2335 10.7013 10.7013 10.7919 10.7919 11.0908 11.0908 11.1989 11.1989 11.5204 11.5204 11.5708 11.5708 11.7908 11.7908 11.8754 11.8754 12.0870 12.0870 13.4913 13.4913 14.1695 14.1695 16.7902 16.7902 18.0562 18.0562 k = 0.2955 0.5000-0.0000 ( 1498 PWs) bands (ev): 2.9564 2.9564 6.0382 6.0382 7.7600 7.7600 9.0563 9.0563 9.3837 9.3837 9.9977 9.9977 10.1712 10.1712 10.2300 10.2300 10.7031 10.7031 10.7899 10.7899 11.0986 11.0986 11.2047 11.2047 11.5098 11.5098 11.5751 11.5751 11.7742 11.7742 11.8686 11.8686 12.0590 12.0590 13.4443 13.4443 14.0507 14.0507 16.8558 16.8558 18.0922 18.0922 k = 0.3068 0.5000-0.0000 ( 1494 PWs) bands (ev): 3.0011 3.0011 6.0942 6.0942 7.6760 7.6760 9.0499 9.0499 9.3876 9.3876 10.0050 10.0050 10.1606 10.1606 10.2269 10.2269 10.7050 10.7050 10.7884 10.7884 11.1073 11.1073 11.2110 11.2110 11.4981 11.4981 11.5794 11.5794 11.7549 11.7549 11.8620 11.8620 12.0317 12.0317 13.4017 13.4017 13.9394 13.9394 16.9226 16.9226 18.1278 18.1278 k = 0.3182 0.5000-0.0000 ( 1490 PWs) bands (ev): 3.0460 3.0460 6.1507 6.1507 7.5929 7.5929 9.0439 9.0439 9.3889 9.3889 10.0122 10.0122 10.1518 10.1518 10.2239 10.2239 10.7069 10.7069 10.7874 10.7874 11.1164 11.1164 11.2173 11.2173 11.4853 11.4853 11.5833 11.5833 11.7335 11.7335 11.8550 11.8550 12.0051 12.0051 13.3632 13.3632 13.8359 13.8359 16.9903 16.9903 18.1628 18.1628 k = 0.3295 0.5000-0.0000 ( 1482 PWs) bands (ev): 3.0909 3.0909 6.2072 6.2072 7.5112 7.5112 9.0381 9.0381 9.3873 9.3873 10.0191 10.0191 10.1452 10.1452 10.2210 10.2210 10.7086 10.7086 10.7868 10.7868 11.1261 11.1261 11.2237 11.2237 11.4717 11.4717 11.5868 11.5868 11.7106 11.7106 11.8472 11.8472 11.9795 11.9795 13.3287 13.3287 13.7402 13.7402 17.0587 17.0587 18.1972 18.1972 k = 0.3409 0.5000-0.0000 ( 1486 PWs) bands (ev): 3.1355 3.1355 6.2636 6.2636 7.4312 7.4312 9.0324 9.0324 9.3828 9.3828 10.0259 10.0259 10.1404 10.1404 10.2178 10.2178 10.7100 10.7100 10.7864 10.7864 11.1362 11.1362 11.2302 11.2302 11.4572 11.4572 11.5895 11.5895 11.6869 11.6869 11.8385 11.8385 11.9546 11.9546 13.2978 13.2978 13.6524 13.6524 17.1273 17.1273 18.2308 18.2308 k = 0.3523 0.5000-0.0000 ( 1486 PWs) bands (ev): 3.1796 3.1796 6.3195 6.3195 7.3534 7.3534 9.0269 9.0269 9.3753 9.3753 10.0323 10.0323 10.1380 10.1380 10.2146 10.2146 10.7113 10.7113 10.7864 10.7864 11.1466 11.1466 11.2368 11.2368 11.4421 11.4421 11.5911 11.5911 11.6635 11.6635 11.8289 11.8289 11.9310 11.9310 13.2704 13.2704 13.5724 13.5724 17.1958 17.1958 18.2634 18.2634 k = 0.3636 0.5000-0.0000 ( 1478 PWs) bands (ev): 3.2227 3.2227 6.3744 6.3744 7.2784 7.2784 9.0218 9.0218 9.3650 9.3650 10.0387 10.0387 10.1378 10.1378 10.2116 10.2116 10.7124 10.7124 10.7868 10.7868 11.1571 11.1571 11.2435 11.2435 11.4264 11.4264 11.5904 11.5904 11.6420 11.6420 11.8187 11.8187 11.9086 11.9086 13.2462 13.2462 13.5003 13.5003 17.2638 17.2638 18.2950 18.2950 k = 0.3750 0.5000-0.0000 ( 1482 PWs) bands (ev): 3.2646 3.2646 6.4279 6.4279 7.2066 7.2066 9.0168 9.0168 9.3522 9.3522 10.0443 10.0443 10.1394 10.1394 10.2085 10.2085 10.7133 10.7133 10.7872 10.7872 11.1674 11.1674 11.2502 11.2502 11.4104 11.4104 11.5838 11.5838 11.6260 11.6260 11.8077 11.8077 11.8874 11.8874 13.2249 13.2249 13.4357 13.4357 17.3308 17.3308 18.3253 18.3253 k = 0.3864 0.5000-0.0000 ( 1478 PWs) bands (ev): 3.3049 3.3049 6.4796 6.4796 7.1386 7.1386 9.0123 9.0123 9.3374 9.3374 10.0497 10.0497 10.1427 10.1427 10.2054 10.2054 10.7141 10.7141 10.7880 10.7880 11.1774 11.1774 11.2571 11.2571 11.3946 11.3946 11.5689 11.5689 11.6188 11.6188 11.7965 11.7965 11.8675 11.8675 13.2064 13.2064 13.3784 13.3784 17.3962 17.3962 18.3541 18.3541 k = 0.3977 0.5000-0.0000 ( 1484 PWs) bands (ev): 3.3431 3.3431 6.5289 6.5289 7.0749 7.0749 9.0082 9.0082 9.3208 9.3208 10.0548 10.0548 10.1472 10.1472 10.2024 10.2024 10.7147 10.7147 10.7888 10.7888 11.1867 11.1867 11.2639 11.2639 11.3787 11.3787 11.5492 11.5492 11.6172 11.6172 11.7852 11.7852 11.8487 11.8487 13.1903 13.1903 13.3280 13.3280 17.4593 17.4593 18.3811 18.3811 k = 0.4091 0.5000-0.0000 ( 1488 PWs) bands (ev): 3.3789 3.3789 6.5753 6.5753 7.0160 7.0160 9.0044 9.0044 9.3033 9.3033 10.0593 10.0593 10.1528 10.1528 10.1997 10.1997 10.7152 10.7152 10.7898 10.7898 11.1952 11.1952 11.2706 11.2706 11.3638 11.3638 11.5286 11.5286 11.6176 11.6176 11.7741 11.7741 11.8312 11.8312 13.1764 13.1764 13.2843 13.2843 17.5194 17.5194 18.4062 18.4062 k = 0.4205 0.5000-0.0000 ( 1488 PWs) bands (ev): 3.4119 3.4119 6.6181 6.6181 6.9624 6.9624 9.0010 9.0010 9.2855 9.2855 10.0634 10.0634 10.1590 10.1590 10.1973 10.1973 10.7156 10.7156 10.7907 10.7907 11.2027 11.2027 11.2770 11.2770 11.3502 11.3502 11.5089 11.5089 11.6187 11.6187 11.7638 11.7638 11.8151 11.8151 13.1646 13.1646 13.2470 13.2470 17.5757 17.5757 18.4290 18.4290 k = 0.4318 0.5000-0.0000 ( 1484 PWs) bands (ev): 3.4416 3.4416 6.6568 6.6568 6.9149 6.9149 8.9982 8.9982 9.2681 9.2681 10.0671 10.0671 10.1655 10.1655 10.1951 10.1951 10.7159 10.7159 10.7917 10.7917 11.2090 11.2090 11.2827 11.2827 11.3386 11.3386 11.4909 11.4909 11.6201 11.6201 11.7544 11.7544 11.8004 11.8004 13.1547 13.1547 13.2156 13.2156 17.6272 17.6272 18.4494 18.4494 k = 0.4432 0.5000-0.0000 ( 1486 PWs) bands (ev): 3.4676 3.4676 6.6907 6.6907 6.8737 6.8737 8.9955 8.9955 9.2518 9.2518 10.0701 10.0701 10.1716 10.1716 10.1933 10.1933 10.7159 10.7159 10.7925 10.7925 11.2138 11.2138 11.2870 11.2870 11.3298 11.3298 11.4749 11.4749 11.6214 11.6214 11.7463 11.7463 11.7872 11.7872 13.1463 13.1463 13.1899 13.1899 17.6732 17.6732 18.4671 18.4671 k = 0.4545 0.5000-0.0000 ( 1488 PWs) bands (ev): 3.4895 3.4895 6.7190 6.7190 6.8398 6.8398 8.9933 8.9933 9.2373 9.2373 10.0725 10.0725 10.1772 10.1772 10.1918 10.1918 10.7159 10.7159 10.7932 10.7932 11.2170 11.2170 11.2895 11.2895 11.3246 11.3246 11.4613 11.4613 11.6227 11.6227 11.7396 11.7396 11.7757 11.7757 13.1391 13.1391 13.1698 13.1698 17.7125 17.7125 18.4819 18.4819 k = 0.4659 0.5000-0.0000 ( 1492 PWs) bands (ev): 3.5069 3.5069 6.7408 6.7408 6.8137 6.8137 8.9916 8.9916 9.2253 9.2253 10.0745 10.0745 10.1818 10.1818 10.1907 10.1907 10.7160 10.7160 10.7938 10.7938 11.2188 11.2188 11.2900 11.2900 11.3227 11.3227 11.4502 11.4502 11.6238 11.6238 11.7343 11.7343 11.7662 11.7662 13.1329 13.1329 13.1551 13.1551 17.7442 17.7442 18.4936 18.4936 k = 0.4773 0.5000-0.0000 ( 1492 PWs) bands (ev): 3.5196 3.5196 6.7546 6.7546 6.7968 6.7968 8.9905 8.9905 9.2162 9.2162 10.0760 10.0760 10.1851 10.1851 10.1900 10.1900 10.7160 10.7160 10.7942 10.7942 11.2195 11.2195 11.2897 11.2897 11.3228 11.3228 11.4422 11.4422 11.6247 11.6247 11.7307 11.7307 11.7591 11.7591 13.1276 13.1276 13.1458 13.1458 17.7676 17.7676 18.5021 18.5021 k = 0.4886 0.5000-0.0000 ( 1492 PWs) bands (ev): 3.5273 3.5273 6.7595 6.7595 6.7903 6.7903 8.9898 8.9898 9.2106 9.2106 10.0769 10.0769 10.1868 10.1868 10.1900 10.1900 10.7160 10.7160 10.7945 10.7945 11.2197 11.2197 11.2893 11.2893 11.3235 11.3235 11.4373 11.4373 11.6252 11.6252 11.7286 11.7286 11.7545 11.7545 13.1238 13.1238 13.1409 13.1409 17.7819 17.7819 18.5072 18.5072 k = 0.5000 0.5000-0.0000 ( 1492 PWs) bands (ev): 3.5299 3.5299 6.7596 6.7596 6.7896 6.7896 8.9895 8.9895 9.2087 9.2087 10.0771 10.0771 10.1872 10.1872 10.1902 10.1902 10.7160 10.7160 10.7946 10.7946 11.2197 11.2197 11.2891 11.2891 11.3238 11.3238 11.4356 11.4356 11.6254 11.6254 11.7280 11.7280 11.7530 11.7530 13.1224 13.1224 13.1394 13.1394 17.7867 17.7867 18.5090 18.5090 k = 0.5000 0.5000-0.0000 ( 1492 PWs) bands (ev): 3.5299 3.5299 6.7596 6.7596 6.7896 6.7896 8.9895 8.9895 9.2087 9.2087 10.0771 10.0771 10.1872 10.1872 10.1902 10.1902 10.7160 10.7160 10.7946 10.7946 11.2197 11.2197 11.2891 11.2891 11.3238 11.3238 11.4356 11.4356 11.6254 11.6254 11.7280 11.7280 11.7530 11.7530 13.1224 13.1224 13.1394 13.1394 17.7867 17.7867 18.5090 18.5090 k = 0.4919 0.4919-0.0000 ( 1492 PWs) bands (ev): 3.5273 3.5273 6.7599 6.7599 6.7899 6.7899 8.9898 8.9898 9.2107 9.2107 10.0769 10.0769 10.1867 10.1867 10.1901 10.1901 10.7159 10.7159 10.7945 10.7945 11.2197 11.2197 11.2893 11.2893 11.3235 11.3235 11.4373 11.4373 11.6252 11.6252 11.7286 11.7286 11.7545 11.7545 13.1237 13.1237 13.1410 13.1410 17.7818 17.7818 18.5072 18.5072 k = 0.4839 0.4839-0.0000 ( 1492 PWs) bands (ev): 3.5195 3.5195 6.7604 6.7604 6.7912 6.7912 8.9905 8.9905 9.2163 9.2163 10.0760 10.0760 10.1843 10.1843 10.1908 10.1908 10.7156 10.7156 10.7946 10.7946 11.2197 11.2197 11.2895 11.2895 11.3230 11.3230 11.4421 11.4421 11.6247 11.6247 11.7307 11.7307 11.7591 11.7591 13.1265 13.1265 13.1470 13.1470 17.7673 17.7673 18.5020 18.5020 k = 0.4758 0.4758-0.0000 ( 1492 PWs) bands (ev): 3.5065 3.5065 6.7604 6.7604 6.7944 6.7944 8.9917 8.9917 9.2253 9.2253 10.0746 10.0746 10.1796 10.1796 10.1927 10.1927 10.7140 10.7140 10.7958 10.7958 11.2197 11.2197 11.2893 11.2893 11.3232 11.3232 11.4497 11.4497 11.6238 11.6238 11.7343 11.7343 11.7664 11.7664 13.1285 13.1285 13.1597 13.1597 17.7432 17.7432 18.4935 18.4935 k = 0.4677 0.4677-0.0000 ( 1488 PWs) bands (ev): 3.4884 3.4884 6.7593 6.7593 6.8003 6.8003 8.9934 8.9934 9.2374 9.2374 10.0728 10.0728 10.1731 10.1731 10.1954 10.1954 10.7100 10.7100 10.7993 10.7993 11.2195 11.2195 11.2880 11.2880 11.3253 11.3253 11.4595 11.4595 11.6227 11.6227 11.7396 11.7396 11.7761 11.7761 13.1296 13.1296 13.1798 13.1798 17.7097 17.7097 18.4817 18.4817 k = 0.4597 0.4597-0.0000 ( 1486 PWs) bands (ev): 3.4652 3.4652 6.7571 6.7571 6.8094 6.8094 8.9956 8.9956 9.2518 9.2518 10.0706 10.0706 10.1648 10.1648 10.1991 10.1991 10.7027 10.7027 10.8060 10.8060 11.2189 11.2189 11.2858 11.2858 11.3297 11.3297 11.4711 11.4711 11.6214 11.6214 11.7465 11.7465 11.7878 11.7878 13.1302 13.1302 13.2067 13.2067 17.6672 17.6672 18.4669 18.4669 k = 0.4516 0.4516-0.0000 ( 1486 PWs) bands (ev): 3.4371 3.4371 6.7545 6.7545 6.8215 6.8215 8.9982 8.9982 9.2679 9.2679 10.0681 10.0681 10.1549 10.1549 10.2038 10.2038 10.6918 10.6918 10.8161 10.8161 11.2174 11.2174 11.2833 11.2833 11.3364 11.3364 11.4840 11.4840 11.6199 11.6199 11.7549 11.7549 11.8012 11.8012 13.1306 13.1306 13.2408 13.2408 17.6159 17.6159 18.4492 18.4492 k = 0.4435 0.4435-0.0000 ( 1490 PWs) bands (ev): 3.4041 3.4041 6.7520 6.7520 6.8364 6.8364 9.0011 9.0011 9.2849 9.2849 10.0652 10.0652 10.1434 10.1434 10.2094 10.2094 10.6776 10.6776 10.8293 10.8293 11.2148 11.2148 11.2814 11.2814 11.3449 11.3449 11.4977 11.4977 11.6184 11.6184 11.7648 11.7648 11.8161 11.8161 13.1309 13.1309 13.2823 13.2823 17.5564 17.5564 18.4289 18.4289 k = 0.4355 0.4355-0.0000 ( 1486 PWs) bands (ev): 3.3665 3.3665 6.7503 6.7503 6.8538 6.8538 9.0047 9.0047 9.3022 9.3022 10.0624 10.0624 10.1309 10.1309 10.2159 10.2159 10.6606 10.6606 10.8455 10.8455 11.2107 11.2107 11.2811 11.2811 11.3550 11.3550 11.5120 11.5120 11.6170 11.6170 11.7760 11.7760 11.8322 11.8322 13.1312 13.1312 13.3317 13.3317 17.4891 17.4891 18.4063 18.4063 k = 0.4274 0.4274-0.0000 ( 1486 PWs) bands (ev): 3.3244 3.3244 6.7500 6.7500 6.8738 6.8738 9.0087 9.0087 9.3190 9.3190 10.0596 10.0596 10.1173 10.1173 10.2233 10.2233 10.6411 10.6411 10.8641 10.8641 11.2048 11.2048 11.2824 11.2824 11.3665 11.3665 11.5259 11.5259 11.6160 11.6160 11.7882 11.7882 11.8493 11.8493 13.1314 13.1314 13.3895 13.3895 17.4145 17.4145 18.3816 18.3816 k = 0.4194 0.4194-0.0000 ( 1490 PWs) bands (ev): 3.2780 3.2780 6.7514 6.7514 6.8961 6.8961 9.0132 9.0132 9.3345 9.3345 10.0569 10.0569 10.1030 10.1030 10.2312 10.2312 10.6197 10.6197 10.8847 10.8847 11.1972 11.1972 11.2856 11.2856 11.3793 11.3793 11.5389 11.5389 11.6159 11.6159 11.8012 11.8012 11.8674 11.8674 13.1315 13.1315 13.4560 13.4560 17.3332 17.3332 18.3552 18.3552 k = 0.4113 0.4113-0.0000 ( 1492 PWs) bands (ev): 3.2275 3.2275 6.7551 6.7551 6.9208 6.9208 9.0181 9.0181 9.3483 9.3483 10.0538 10.0538 10.0882 10.0882 10.2403 10.2403 10.5965 10.5965 10.9069 10.9069 11.1881 11.1881 11.2904 11.2904 11.3933 11.3933 11.5499 11.5499 11.6176 11.6176 11.8149 11.8149 11.8862 11.8862 13.1315 13.1315 13.5316 13.5316 17.2458 17.2458 18.3273 18.3273 k = 0.4032 0.4032-0.0000 ( 1484 PWs) bands (ev): 3.1733 3.1733 6.7613 6.7613 6.9478 6.9478 9.0235 9.0235 9.3598 9.3598 10.0503 10.0503 10.0740 10.0740 10.2506 10.2506 10.5720 10.5720 10.9308 10.9308 11.1781 11.1781 11.2970 11.2970 11.4082 11.4082 11.5578 11.5578 11.6220 11.6220 11.8291 11.8291 11.9058 11.9058 13.1316 13.1316 13.6165 13.6165 17.1529 17.1529 18.2982 18.2982 k = 0.3952 0.3952-0.0000 ( 1480 PWs) bands (ev): 3.1156 3.1156 6.7703 6.7703 6.9770 6.9770 9.0295 9.0295 9.3687 9.3687 10.0435 10.0435 10.0632 10.0632 10.2615 10.2615 10.5463 10.5463 10.9557 10.9557 11.1670 11.1670 11.3049 11.3049 11.4239 11.4239 11.5620 11.5620 11.6295 11.6295 11.8436 11.8436 11.9258 11.9258 13.1316 13.1316 13.7111 13.7111 17.0551 17.0551 18.2682 18.2682 k = 0.3871 0.3871-0.0000 ( 1488 PWs) bands (ev): 3.0546 3.0546 6.7824 6.7824 7.0084 7.0084 9.0355 9.0355 9.3747 9.3747 10.0305 10.0305 10.0583 10.0583 10.2731 10.2731 10.5197 10.5197 10.9809 10.9809 11.1552 11.1552 11.3140 11.3140 11.4401 11.4401 11.5628 11.5628 11.6395 11.6395 11.8580 11.8580 11.9463 11.9463 13.1315 13.1315 13.8152 13.8152 16.9529 16.9529 18.2376 18.2376 k = 0.3790 0.3790-0.0000 ( 1488 PWs) bands (ev): 2.9908 2.9908 6.7975 6.7975 7.0420 7.0420 9.0423 9.0423 9.3777 9.3777 10.0145 10.0145 10.0571 10.0571 10.2854 10.2854 10.4923 10.4923 11.0064 11.0064 11.1434 11.1434 11.3242 11.3242 11.4571 11.4571 11.5616 11.5616 11.6511 11.6511 11.8724 11.8724 11.9671 11.9671 13.1313 13.1313 13.9290 13.9290 16.8469 16.8469 18.2067 18.2067 k = 0.3710 0.3710-0.0000 ( 1488 PWs) bands (ev): 2.9243 2.9243 6.8160 6.8160 7.0777 7.0777 9.0496 9.0496 9.3776 9.3776 9.9972 9.9972 10.0576 10.0576 10.2984 10.2984 10.4646 10.4646 11.0305 11.0305 11.1329 11.1329 11.3354 11.3354 11.4743 11.4743 11.5595 11.5595 11.6633 11.6633 11.8867 11.8867 11.9883 11.9883 13.1310 13.1310 14.0522 14.0522 16.7375 16.7375 18.1755 18.1755 k = 0.3629 0.3629-0.0000 ( 1492 PWs) bands (ev): 2.8556 2.8556 6.8377 6.8377 7.1154 7.1154 9.0573 9.0573 9.3745 9.3745 9.9792 9.9792 10.0593 10.0593 10.3115 10.3115 10.4369 10.4369 11.0493 11.0493 11.1272 11.1272 11.3475 11.3475 11.4909 11.4909 11.5575 11.5575 11.6756 11.6756 11.9006 11.9006 12.0097 12.0097 13.1306 13.1306 14.1848 14.1848 16.6254 16.6254 18.1444 18.1444 k = 0.3548 0.3548-0.0000 ( 1494 PWs) bands (ev): 2.7849 2.7849 6.8627 6.8627 7.1550 7.1550 9.0654 9.0654 9.3686 9.3686 9.9611 9.9611 10.0620 10.0620 10.3239 10.3239 10.4103 10.4103 11.0559 11.0559 11.1335 11.1335 11.3604 11.3604 11.5054 11.5054 11.5578 11.5578 11.6877 11.6877 11.9142 11.9142 12.0312 12.0312 13.1300 13.1300 14.3263 14.3263 16.5108 16.5108 18.1135 18.1135 k = 0.3468 0.3468-0.0000 ( 1494 PWs) bands (ev): 2.7125 2.7125 6.8909 6.8909 7.1967 7.1967 9.0741 9.0741 9.3600 9.3600 9.9425 9.9425 10.0659 10.0659 10.3319 10.3319 10.3887 10.3887 11.0490 11.0490 11.1529 11.1529 11.3742 11.3742 11.5143 11.5143 11.5637 11.5637 11.6995 11.6995 11.9275 11.9275 12.0529 12.0529 13.1293 13.1293 14.4765 14.4765 16.3942 16.3942 18.0828 18.0828 k = 0.3387 0.3387-0.0000 ( 1498 PWs) bands (ev): 2.6388 2.6388 6.9223 6.9223 7.2401 7.2401 9.0832 9.0832 9.3490 9.3490 9.9235 9.9235 10.0708 10.0708 10.3248 10.3248 10.3826 10.3826 11.0347 11.0347 11.1790 11.1790 11.3888 11.3888 11.5162 11.5162 11.5766 11.5766 11.7110 11.7110 11.9404 11.9404 12.0744 12.0744 13.1284 13.1284 14.6349 14.6349 16.2761 16.2761 18.0525 18.0525 k = 0.3306 0.3306-0.0000 ( 1498 PWs) bands (ev): 2.5641 2.5641 6.9568 6.9568 7.2854 7.2854 9.0927 9.0927 9.3358 9.3358 9.9043 9.9043 10.0768 10.0768 10.3025 10.3025 10.3926 10.3926 11.0171 11.0171 11.2081 11.2081 11.4040 11.4040 11.5138 11.5138 11.5943 11.5943 11.7221 11.7221 11.9529 11.9529 12.0960 12.0960 13.1273 13.1273 14.8012 14.8012 16.1566 16.1566 18.0227 18.0227 k = 0.3226 0.3226-0.0000 ( 1488 PWs) bands (ev): 2.4885 2.4885 6.9943 6.9943 7.3325 7.3325 9.1029 9.1029 9.3208 9.3208 9.8848 9.8848 10.0841 10.0841 10.2754 10.2754 10.4087 10.4087 10.9976 10.9976 11.2385 11.2385 11.4196 11.4196 11.5095 11.5095 11.6143 11.6143 11.7330 11.7330 11.9650 11.9650 12.1176 12.1176 13.1261 13.1261 14.9749 14.9749 16.0362 16.0362 17.9934 17.9934 k = 0.3145 0.3145-0.0000 ( 1488 PWs) bands (ev): 2.4125 2.4125 7.0346 7.0346 7.3812 7.3812 9.1133 9.1133 9.3042 9.3042 9.8652 9.8652 10.0923 10.0923 10.2464 10.2464 10.4270 10.4270 10.9767 10.9767 11.2697 11.2697 11.4351 11.4351 11.5048 11.5048 11.6355 11.6355 11.7436 11.7436 11.9765 11.9765 12.1390 12.1390 13.1245 13.1245 15.1555 15.1555 15.9151 15.9151 17.9645 17.9645 k = 0.3065 0.3065-0.0000 ( 1484 PWs) bands (ev): 2.3362 2.3362 7.0776 7.0776 7.4314 7.4314 9.1241 9.1241 9.2862 9.2862 9.8453 9.8453 10.1017 10.1017 10.2169 10.2169 10.4468 10.4468 10.9551 10.9551 11.3013 11.3013 11.4494 11.4494 11.5015 11.5015 11.6571 11.6571 11.7542 11.7542 11.9876 11.9876 12.1602 12.1602 13.1226 13.1226 15.3426 15.3426 15.7937 15.7937 17.9361 17.9361 k = 0.2984 0.2984-0.0000 ( 1478 PWs) bands (ev): 2.2598 2.2598 7.1230 7.1230 7.4831 7.4831 9.1353 9.1353 9.2672 9.2672 9.8254 9.8254 10.1121 10.1121 10.1876 10.1876 10.4678 10.4678 10.9326 10.9326 11.3331 11.3331 11.4595 11.4595 11.5025 11.5025 11.6789 11.6789 11.7651 11.7651 11.9980 11.9980 12.1812 12.1812 13.1204 13.1204 15.5350 15.5350 15.6728 15.6728 17.9081 17.9081 k = 0.2903 0.2903-0.0000 ( 1478 PWs) bands (ev): 2.1836 2.1836 7.1708 7.1708 7.5361 7.5361 9.1468 9.1468 9.2474 9.2474 9.8052 9.8052 10.1230 10.1230 10.1588 10.1588 10.4897 10.4897 10.9096 10.9096 11.3650 11.3650 11.4622 11.4622 11.5112 11.5112 11.7004 11.7004 11.7762 11.7762 12.0078 12.0078 12.2018 12.2018 13.1178 13.1178 15.5487 15.5487 15.7363 15.7363 17.8804 17.8804 k = 0.2823 0.2823-0.0000 ( 1478 PWs) bands (ev): 2.1078 2.1078 7.2205 7.2205 7.5904 7.5904 9.1584 9.1584 9.2274 9.2274 9.7851 9.7851 10.1233 10.1233 10.1418 10.1418 10.5126 10.5126 10.8864 10.8864 11.3967 11.3967 11.4588 11.4588 11.5263 11.5263 11.7210 11.7210 11.7881 11.7881 12.0170 12.0170 12.2222 12.2222 13.1148 13.1148 15.4278 15.4278 15.9399 15.9399 17.8529 17.8529 k = 0.2742 0.2742-0.0000 ( 1478 PWs) bands (ev): 2.0327 2.0327 7.2721 7.2721 7.6459 7.6459 9.1697 9.1697 9.2078 9.2078 9.7649 9.7649 10.0969 10.0969 10.1530 10.1530 10.5364 10.5364 10.8631 10.8631 11.4282 11.4282 11.4529 11.4529 11.5444 11.5444 11.7402 11.7402 11.8014 11.8014 12.0255 12.0255 12.2422 12.2422 13.1113 13.1113 15.3067 15.3067 16.1486 16.1486 17.8256 17.8256 k = 0.2661 0.2661-0.0000 ( 1484 PWs) bands (ev): 1.9582 1.9582 7.3252 7.3252 7.7025 7.7025 9.1755 9.1755 9.1939 9.1939 9.7447 9.7447 10.0684 10.0684 10.1680 10.1680 10.5606 10.5606 10.8399 10.8399 11.4459 11.4459 11.4594 11.4594 11.5639 11.5639 11.7572 11.7572 11.8168 11.8168 12.0334 12.0334 12.2617 12.2617 13.1073 13.1073 15.1861 15.1861 16.3616 16.3616 17.7983 17.7983 k = 0.2581 0.2581-0.0000 ( 1480 PWs) bands (ev): 1.8848 1.8848 7.3796 7.3796 7.7600 7.7600 9.1620 9.1620 9.2002 9.2002 9.7247 9.7247 10.0398 10.0398 10.1845 10.1845 10.5862 10.5862 10.8172 10.8172 11.4382 11.4382 11.4903 11.4903 11.5844 11.5844 11.7719 11.7719 11.8346 11.8346 12.0407 12.0407 12.2810 12.2810 13.1028 13.1028 15.0661 15.0661 16.5780 16.5780 17.7712 17.7712 k = 0.2500 0.2500-0.0000 ( 1480 PWs) bands (ev): 1.8124 1.8124 7.4349 7.4349 7.8183 7.8183 9.1433 9.1433 9.2125 9.2125 9.7049 9.7049 10.0116 10.0116 10.2023 10.2023 10.6127 10.6127 10.7950 10.7950 11.4303 11.4303 11.5206 11.5206 11.6054 11.6054 11.7841 11.7841 11.8543 11.8543 12.0473 12.0473 12.2998 12.2998 13.0977 13.0977 14.9470 14.9470 16.7970 16.7970 17.7447 17.7447 k = 0.2419 0.2419-0.0000 ( 1480 PWs) bands (ev): 1.7413 1.7413 7.4907 7.4907 7.8773 7.8773 9.1247 9.1247 9.2257 9.2257 9.6853 9.6853 9.9839 9.9839 10.2213 10.2213 10.6400 10.6400 10.7737 10.7737 11.4223 11.4223 11.5505 11.5505 11.6269 11.6269 11.7944 11.7944 11.8754 11.8754 12.0534 12.0534 12.3181 12.3181 13.0919 13.0919 14.8288 14.8288 17.0163 17.0163 17.7200 17.7200 k = 0.2339 0.2339-0.0000 ( 1480 PWs) bands (ev): 1.6715 1.6715 7.5467 7.5467 7.9368 7.9368 9.1069 9.1069 9.2393 9.2393 9.6661 9.6661 9.9566 9.9566 10.2416 10.2416 10.6682 10.6682 10.7535 10.7535 11.4142 11.4142 11.5796 11.5796 11.6487 11.6487 11.8035 11.8035 11.8974 11.8974 12.0588 12.0588 12.3360 12.3360 13.0854 13.0854 14.7117 14.7117 17.2304 17.2304 17.7020 17.7020 k = 0.2258 0.2258-0.0000 ( 1472 PWs) bands (ev): 1.6032 1.6032 7.6025 7.6025 7.9968 7.9968 9.0905 9.0905 9.2532 9.2532 9.6475 9.6475 9.9300 9.9300 10.2632 10.2632 10.6975 10.6975 10.7348 10.7348 11.4061 11.4061 11.6081 11.6081 11.6708 11.6708 11.8116 11.8116 11.9200 11.9200 12.0638 12.0638 12.3535 12.3535 13.0781 13.0781 14.5959 14.5959 17.4167 17.4167 17.7125 17.7125 k = 0.2177 0.2177-0.0000 ( 1464 PWs) bands (ev): 1.5366 1.5366 7.6576 7.6576 8.0570 8.0570 9.0757 9.0757 9.2675 9.2675 9.6293 9.6293 9.9041 9.9041 10.2860 10.2860 10.7166 10.7166 10.7286 10.7286 11.3981 11.3981 11.6356 11.6356 11.6929 11.6929 11.8190 11.8190 11.9427 11.9427 12.0682 12.0682 12.3705 12.3705 13.0701 13.0701 14.4814 14.4814 17.5060 17.5060 17.8199 17.8199 k = 0.2097 0.2097-0.0000 ( 1468 PWs) bands (ev): 1.4716 1.4716 7.7113 7.7113 8.1172 8.1172 9.0626 9.0626 9.2817 9.2817 9.6117 9.6117 9.8787 9.8787 10.3100 10.3100 10.7016 10.7016 10.7587 10.7587 11.3901 11.3901 11.6622 11.6622 11.7149 11.7149 11.8258 11.8258 11.9651 11.9651 12.0720 12.0720 12.3869 12.3869 13.0610 13.0610 14.3684 14.3684 17.5039 17.5039 18.0177 18.0177 k = 0.2016 0.2016-0.0000 ( 1466 PWs) bands (ev): 1.4085 1.4085 7.7633 7.7633 8.1774 8.1774 9.0519 9.0519 9.2960 9.2960 9.5950 9.5950 9.8539 9.8539 10.3352 10.3352 10.6884 10.6884 10.7905 10.7905 11.3823 11.3823 11.6877 11.6877 11.7368 11.7368 11.8321 11.8321 11.9872 11.9872 12.0754 12.0754 12.4027 12.4027 13.0511 13.0511 14.2569 14.2569 17.4729 17.4729 18.2424 18.2424 k = 0.1935 0.1935-0.0000 ( 1466 PWs) bands (ev): 1.3472 1.3472 7.8129 7.8129 8.2372 8.2372 9.0434 9.0434 9.3104 9.3104 9.5791 9.5791 9.8298 9.8298 10.3616 10.3616 10.6776 10.6776 10.8234 10.8234 11.3747 11.3747 11.7121 11.7121 11.7583 11.7583 11.8382 11.8382 12.0086 12.0086 12.0785 12.0785 12.4180 12.4180 13.0401 13.0401 14.1472 14.1472 17.4305 17.4305 18.4754 18.4754 k = 0.1855 0.1855-0.0000 ( 1466 PWs) bands (ev): 1.2880 1.2880 7.8596 7.8596 8.2966 8.2966 9.0376 9.0376 9.3247 9.3247 9.5642 9.5642 9.8065 9.8065 10.3891 10.3891 10.6696 10.6696 10.8572 10.8572 11.3672 11.3672 11.7351 11.7351 11.7793 11.7793 11.8442 11.8442 12.0289 12.0289 12.0819 12.0819 12.4328 12.4328 13.0281 13.0281 14.0393 14.0393 17.3807 17.3807 18.7116 18.7116 k = 0.1774 0.1774-0.0000 ( 1466 PWs) bands (ev): 1.2308 1.2308 7.9028 7.9028 8.3553 8.3553 9.0345 9.0345 9.3389 9.3389 9.5504 9.5504 9.7839 9.7839 10.4177 10.4177 10.6648 10.6648 10.8920 10.8920 11.3599 11.3599 11.7567 11.7567 11.7992 11.7992 11.8505 11.8505 12.0469 12.0469 12.0864 12.0864 12.4470 12.4470 13.0149 13.0149 13.9334 13.9334 17.3246 17.3246 18.9485 18.9485 k = 0.1694 0.1694-0.0000 ( 1460 PWs) bands (ev): 1.1757 1.1757 7.9423 7.9423 8.4133 8.4133 9.0342 9.0342 9.3530 9.3530 9.5380 9.5380 9.7622 9.7622 10.4475 10.4475 10.6637 10.6637 10.9279 10.9279 11.3531 11.3531 11.7768 11.7768 11.8172 11.8172 11.8579 11.8579 12.0604 12.0604 12.0945 12.0945 12.4606 12.4606 13.0006 13.0006 13.8297 13.8297 17.2625 17.2625 19.1835 19.1835 k = 0.1613 0.1613-0.0000 ( 1460 PWs) bands (ev): 1.1229 1.1229 7.9776 7.9776 8.4701 8.4701 9.0364 9.0364 9.3669 9.3669 9.5268 9.5268 9.7413 9.7413 10.4780 10.4780 10.6665 10.6665 10.9646 10.9646 11.3464 11.3464 11.7949 11.7949 11.8317 11.8317 11.8679 11.8679 12.0676 12.0676 12.1078 12.1078 12.4736 12.4736 12.9850 12.9850 13.7283 13.7283 17.1945 17.1945 19.4100 19.4100 k = 0.1532 0.1532-0.0000 ( 1460 PWs) bands (ev): 1.0722 1.0722 8.0084 8.0084 8.5257 8.5257 9.0414 9.0414 9.3804 9.3804 9.5174 9.5174 9.7212 9.7212 10.5094 10.5094 10.6738 10.6738 11.0021 11.0021 11.3400 11.3400 11.8107 11.8107 11.8419 11.8419 11.8813 11.8813 12.0704 12.0704 12.1243 12.1243 12.4859 12.4859 12.9681 12.9681 13.6294 13.6294 17.1208 17.1208 19.5856 19.5856 k = 0.1452 0.1452-0.0000 ( 1460 PWs) bands (ev): 1.0239 1.0239 8.0347 8.0347 8.5799 8.5799 9.0479 9.0479 9.3938 9.3938 9.5094 9.5094 9.7021 9.7021 10.5414 10.5414 10.6859 10.6859 11.0406 11.0406 11.3339 11.3339 11.8235 11.8235 11.8493 11.8493 11.8973 11.8973 12.0711 12.0711 12.1417 12.1417 12.4977 12.4977 12.9500 12.9500 13.5332 13.5332 17.0417 17.0417 19.5783 19.5783 k = 0.1371 0.1371-0.0000 ( 1460 PWs) bands (ev): 0.9780 0.9780 8.0567 8.0567 8.6323 8.6323 9.0558 9.0558 9.4068 9.4068 9.5032 9.5032 9.6838 9.6838 10.5741 10.5741 10.7030 10.7030 11.0799 11.0799 11.3283 11.3283 11.8322 11.8322 11.8561 11.8561 11.9141 11.9141 12.0706 12.0706 12.1591 12.1591 12.5088 12.5088 12.9306 12.9306 13.4400 13.4400 16.9578 16.9578 19.5006 19.5006 k = 0.1290 0.1290-0.0000 ( 1456 PWs) bands (ev): 0.9344 0.9344 8.0745 8.0745 8.6830 8.6830 9.0645 9.0645 9.4193 9.4193 9.4988 9.4988 9.6666 9.6666 10.6076 10.6076 10.7253 10.7253 11.1197 11.1197 11.3236 11.3236 11.8366 11.8366 11.8633 11.8633 11.9309 11.9309 12.0695 12.0695 12.1761 12.1761 12.5193 12.5193 12.9099 12.9099 13.3501 13.3501 16.8696 16.8696 19.4211 19.4211 k = 0.1210 0.1210-0.0000 ( 1458 PWs) bands (ev): 0.8933 0.8933 8.0885 8.0885 8.7316 8.7316 9.0733 9.0733 9.4314 9.4314 9.4961 9.4961 9.6502 9.6502 10.6420 10.6420 10.7524 10.7524 11.1599 11.1599 11.3194 11.3194 11.8375 11.8375 11.8698 11.8698 11.9471 11.9471 12.0677 12.0677 12.1924 12.1924 12.5291 12.5291 12.8879 12.8879 13.2638 13.2638 16.7781 16.7781 19.3477 19.3477 k = 0.1129 0.1129-0.0000 ( 1462 PWs) bands (ev): 0.8547 0.8547 8.0992 8.0992 8.7779 8.7779 9.0818 9.0818 9.4429 9.4429 9.4950 9.4950 9.6348 9.6348 10.6781 10.6781 10.7841 10.7841 11.1997 11.1997 11.3166 11.3166 11.8358 11.8358 11.8747 11.8747 11.9623 11.9623 12.0656 12.0656 12.2078 12.2078 12.5380 12.5380 12.8648 12.8648 13.1814 13.1814 16.6844 16.6844 19.2819 19.2819 k = 0.1048 0.1048-0.0000 ( 1462 PWs) bands (ev): 0.8186 0.8186 8.1070 8.1070 8.8218 8.8218 9.0895 9.0895 9.4538 9.4538 9.4955 9.4955 9.6204 9.6204 10.7161 10.7161 10.8195 10.8195 11.2371 11.2371 11.3170 11.3170 11.8319 11.8319 11.8772 11.8772 11.9765 11.9765 12.0630 12.0630 12.2224 12.2224 12.5464 12.5464 12.8406 12.8406 13.1035 13.1035 16.5896 16.5896 19.2237 19.2237 k = 0.0968 0.0968-0.0000 ( 1460 PWs) bands (ev): 0.7851 0.7851 8.1123 8.1123 8.8632 8.8632 9.0961 9.0961 9.4639 9.4639 9.4973 9.4973 9.6071 9.6071 10.7564 10.7564 10.8581 10.8581 11.2664 11.2664 11.3264 11.3264 11.8259 11.8259 11.8770 11.8770 11.9895 11.9895 12.0603 12.0603 12.2361 12.2361 12.5539 12.5539 12.8153 12.8153 13.0306 13.0306 16.4948 16.4948 19.1727 19.1727 k = 0.0887 0.0887-0.0000 ( 1464 PWs) bands (ev): 0.7541 0.7541 8.1156 8.1156 8.9017 8.9017 9.1015 9.1015 9.4733 9.4733 9.5002 9.5002 9.5946 9.5946 10.7990 10.7990 10.8991 10.8991 11.2796 11.2796 11.3523 11.3523 11.8177 11.8177 11.8737 11.8737 12.0011 12.0011 12.0571 12.0571 12.2488 12.2488 12.5606 12.5606 12.7893 12.7893 12.9631 12.9631 16.4015 16.4015 19.1283 19.1283 k = 0.0806 0.0806-0.0000 ( 1456 PWs) bands (ev): 0.7257 0.7257 8.1175 8.1175 8.9374 8.9374 9.1057 9.1057 9.4818 9.4818 9.5038 9.5038 9.5834 9.5834 10.8440 10.8440 10.9421 10.9421 11.2828 11.2828 11.3888 11.3888 11.8073 11.8073 11.8673 11.8673 12.0115 12.0115 12.0538 12.0538 12.2605 12.2605 12.5663 12.5663 12.7628 12.7628 12.9016 12.9016 16.3108 16.3108 19.0900 19.0900 k = 0.0726 0.0726-0.0000 ( 1456 PWs) bands (ev): 0.7000 0.7000 8.1181 8.1181 8.9701 8.9701 9.1087 9.1087 9.4893 9.4893 9.5079 9.5079 9.5733 9.5733 10.8908 10.8908 10.9861 10.9861 11.2828 11.2828 11.4282 11.4282 11.7943 11.7943 11.8575 11.8575 12.0200 12.0200 12.0502 12.0502 12.2711 12.2711 12.5710 12.5710 12.7363 12.7363 12.8467 12.8467 16.2241 16.2241 19.0570 19.0570 k = 0.0645 0.0645-0.0000 ( 1458 PWs) bands (ev): 0.6769 0.6769 8.1177 8.1177 8.9995 8.9995 9.1108 9.1108 9.4958 9.4958 9.5122 9.5122 9.5642 9.5642 10.9389 10.9389 11.0307 11.0307 11.2821 11.2821 11.4675 11.4675 11.7788 11.7788 11.8445 11.8445 12.0266 12.0266 12.0466 12.0466 12.2807 12.2807 12.5742 12.5742 12.7105 12.7105 12.7987 12.7987 16.1425 16.1425 19.0290 19.0290 k = 0.0565 0.0565-0.0000 ( 1458 PWs) bands (ev): 0.6566 0.6566 8.1169 8.1169 9.0258 9.0258 9.1121 9.1121 9.5012 9.5012 9.5164 9.5164 9.5563 9.5563 10.9878 10.9878 11.0749 11.0749 11.2819 11.2819 11.5053 11.5053 11.7611 11.7611 11.8284 11.8284 12.0316 12.0316 12.0431 12.0431 12.2890 12.2890 12.5756 12.5756 12.6864 12.6864 12.7574 12.7574 16.0673 16.0673 19.0054 19.0054 k = 0.0484 0.0484-0.0000 ( 1460 PWs) bands (ev): 0.6388 0.6388 8.1157 8.1157 9.0487 9.0487 9.1128 9.1128 9.5055 9.5055 9.5206 9.5206 9.5495 9.5495 11.0367 11.0367 11.1176 11.1176 11.2826 11.2826 11.5399 11.5399 11.7419 11.7419 11.8097 11.8097 12.0345 12.0345 12.0398 12.0398 12.2961 12.2961 12.5747 12.5747 12.6657 12.6657 12.7226 12.7226 15.9996 15.9996 18.9858 18.9858 k = 0.0403 0.0403-0.0000 ( 1460 PWs) bands (ev): 0.6238 0.6238 8.1144 8.1144 9.0682 9.0682 9.1132 9.1132 9.5088 9.5088 9.5244 9.5244 9.5441 9.5441 11.0843 11.0843 11.1567 11.1567 11.2855 11.2855 11.5690 11.5690 11.7231 11.7231 11.7893 11.7893 12.0356 12.0356 12.0368 12.0368 12.3022 12.3022 12.5708 12.5708 12.6500 12.6500 12.6939 12.6939 15.9404 15.9404 18.9698 18.9698 k = 0.0323 0.0323-0.0000 ( 1460 PWs) bands (ev): 0.6115 0.6115 8.1132 8.1132 9.0842 9.0842 9.1132 9.1132 9.5112 9.5112 9.5277 9.5277 9.5399 9.5399 11.1295 11.1295 11.1896 11.1896 11.2917 11.2917 11.5884 11.5884 11.7086 11.7086 11.7683 11.7683 12.0343 12.0343 12.0353 12.0353 12.3072 12.3072 12.5644 12.5644 12.6397 12.6397 12.6706 12.6706 15.8906 15.8906 18.9571 18.9571 k = 0.0242 0.0242-0.0000 ( 1460 PWs) bands (ev): 0.6020 0.6020 8.1121 8.1121 9.0967 9.0967 9.1132 9.1132 9.5127 9.5127 9.5303 9.5303 9.5369 9.5369 11.1703 11.1703 11.2131 11.2131 11.3026 11.3026 11.5938 11.5938 11.7035 11.7035 11.7483 11.7483 12.0323 12.0323 12.0338 12.0338 12.3110 12.3110 12.5570 12.5570 12.6339 12.6339 12.6525 12.6525 15.8510 15.8510 18.9474 18.9475 k = 0.0161 0.0161-0.0000 ( 1460 PWs) bands (ev): 0.5951 0.5951 8.1112 8.1112 9.1057 9.1057 9.1130 9.1130 9.5135 9.5135 9.5322 9.5322 9.5350 9.5350 11.2040 11.2040 11.2268 11.2268 11.3165 11.3165 11.5869 11.5869 11.7073 11.7073 11.7312 11.7312 12.0308 12.0308 12.0319 12.0319 12.3137 12.3137 12.5505 12.5505 12.6309 12.6309 12.6396 12.6396 15.8222 15.8222 18.9407 18.9407 k = 0.0081 0.0081-0.0000 ( 1448 PWs) bands (ev): 0.5910 0.5910 8.1108 8.1108 9.1113 9.1113 9.1130 9.1130 9.5139 9.5139 9.5336 9.5336 9.5342 9.5342 11.2270 11.2270 11.2333 11.2333 11.3283 11.3283 11.5772 11.5772 11.7130 11.7130 11.7196 11.7196 12.0301 12.0301 12.0303 12.0303 12.3155 12.3155 12.5463 12.5463 12.6297 12.6297 12.6319 12.6319 15.8048 15.8048 18.9370 18.9389 k = 0.0000 0.0000 0.0000 ( 1419 PWs) bands (ev): 0.5897 0.5897 8.1108 8.1108 9.1132 9.1132 9.1132 9.1132 9.5146 9.5146 9.5345 9.5345 9.5345 9.5345 11.2353 11.2353 11.2353 11.2353 11.3330 11.3330 11.5729 11.5729 11.7154 11.7154 11.7154 11.7154 12.0299 12.0299 12.0299 12.0299 12.3164 12.3164 12.5451 12.5451 12.6296 12.6296 12.6296 12.6296 15.7990 15.7990 18.9354 18.9354 k = 0.0000 0.0000 0.0000 ( 1419 PWs) bands (ev): 0.5897 0.5897 8.1108 8.1108 9.1132 9.1132 9.1132 9.1132 9.5146 9.5146 9.5345 9.5345 9.5345 9.5345 11.2353 11.2353 11.2353 11.2353 11.3330 11.3330 11.5729 11.5729 11.7154 11.7154 11.7154 11.7154 12.0299 12.0299 12.0299 12.0299 12.3164 12.3164 12.5451 12.5451 12.6296 12.6296 12.6296 12.6296 15.7990 15.7990 18.9354 18.9354 k = 0.0066 0.0066 0.0066 ( 1458 PWs) bands (ev): 0.5910 0.5910 8.1107 8.1107 9.1120 9.1120 9.1120 9.1120 9.5139 9.5139 9.5334 9.5334 9.5342 9.5342 11.2266 11.2266 11.2335 11.2335 11.3282 11.3282 11.5772 11.5772 11.7136 11.7136 11.7189 11.7189 12.0301 12.0301 12.0301 12.0301 12.3153 12.3153 12.5461 12.5461 12.6294 12.6294 12.6319 12.6319 15.8048 15.8048 18.9379 18.9380 k = 0.0132 0.0132 0.0132 ( 1458 PWs) bands (ev): 0.5951 0.5951 8.1113 8.1113 9.1094 9.1094 9.1094 9.1094 9.5135 9.5135 9.5323 9.5323 9.5352 9.5352 11.2024 11.2024 11.2288 11.2288 11.3160 11.3160 11.5877 11.5877 11.7085 11.7085 11.7294 11.7294 12.0313 12.0313 12.0315 12.0315 12.3137 12.3137 12.5505 12.5505 12.6304 12.6304 12.6399 12.6399 15.8223 15.8223 18.9454 18.9458 k = 0.0197 0.0197 0.0197 ( 1458 PWs) bands (ev): 0.6020 0.6020 8.1122 8.1122 9.1050 9.1050 9.1050 9.1050 9.5124 9.5124 9.5310 9.5310 9.5368 9.5368 11.1654 11.1654 11.2211 11.2211 11.2984 11.2984 11.5997 11.5997 11.7004 11.7004 11.7467 11.7467 12.0328 12.0328 12.0334 12.0334 12.3110 12.3110 12.5569 12.5569 12.6328 12.6328 12.6532 12.6532 15.8513 15.8513 18.9581 18.9591 k = 0.0263 0.0263 0.0263 ( 1458 PWs) bands (ev): 0.6115 0.6115 8.1134 8.1134 9.0987 9.0987 9.0988 9.0988 9.5099 9.5099 9.5301 9.5301 9.5391 9.5391 11.1194 11.1194 11.2105 11.2105 11.2769 11.2769 11.6100 11.6100 11.6900 11.6900 11.7697 11.7697 12.0342 12.0342 12.0354 12.0354 12.3071 12.3071 12.5642 12.5642 12.6379 12.6379 12.6713 12.6713 15.8917 15.8917 18.9754 18.9757 k = 0.0329 0.0329 0.0329 ( 1458 PWs) bands (ev): 0.6238 0.6238 8.1148 8.1148 9.0906 9.0906 9.0908 9.0908 9.5050 9.5050 9.5305 9.5305 9.5421 9.5421 11.0673 11.0673 11.1972 11.1972 11.2526 11.2526 11.6175 11.6175 11.6780 11.6780 11.7965 11.7965 12.0351 12.0351 12.0372 12.0372 12.3021 12.3021 12.5704 12.5704 12.6474 12.6474 12.6937 12.6937 15.9431 15.9431 18.9980 18.9981 k = 0.0395 0.0395 0.0395 ( 1458 PWs) bands (ev): 0.6388 0.6388 8.1165 8.1165 9.0806 9.0806 9.0810 9.0810 9.4978 9.4978 9.5323 9.5323 9.5459 9.5459 11.0115 11.0115 11.1817 11.1817 11.2262 11.2262 11.6221 11.6221 11.6649 11.6649 11.8253 11.8253 12.0350 12.0350 12.0382 12.0382 12.2958 12.2958 12.5739 12.5739 12.6627 12.6627 12.7201 12.7201 16.0052 16.0052 19.0257 19.0258 k = 0.0461 0.0461 0.0461 ( 1452 PWs) bands (ev): 0.6565 0.6565 8.1183 8.1183 9.0688 9.0688 9.0695 9.0695 9.4884 9.4884 9.5353 9.5353 9.5505 9.5505 10.9536 10.9536 11.1641 11.1641 11.1984 11.1984 11.6244 11.6244 11.6512 11.6512 11.8543 11.8543 12.0339 12.0339 12.0382 12.0382 12.2882 12.2882 12.5746 12.5746 12.6837 12.6837 12.7497 12.7497 16.0777 16.0777 19.0585 19.0586 k = 0.0526 0.0526 0.0526 ( 1455 PWs) bands (ev): 0.6768 0.6768 8.1201 8.1201 9.0550 9.0550 9.0561 9.0561 9.4767 9.4767 9.5393 9.5393 9.5557 9.5557 10.8947 10.8947 11.1448 11.1448 11.1696 11.1696 11.6248 11.6248 11.6372 11.6372 11.8825 11.8825 12.0313 12.0313 12.0370 12.0370 12.2792 12.2792 12.5731 12.5731 12.7092 12.7092 12.7820 12.7820 16.1602 16.1602 19.0965 19.0965 k = 0.0592 0.0592 0.0592 ( 1461 PWs) bands (ev): 0.6999 0.6999 8.1218 8.1218 9.0392 9.0392 9.0408 9.0408 9.4631 9.4631 9.5442 9.5442 9.5618 9.5618 10.8360 10.8360 11.1241 11.1241 11.1405 11.1405 11.6232 11.6232 11.6235 11.6235 11.9091 11.9091 12.0273 12.0273 12.0345 12.0345 12.2687 12.2687 12.5701 12.5701 12.7383 12.7383 12.8162 12.8162 16.2521 16.2521 19.1397 19.1397 k = 0.0658 0.0658 0.0658 ( 1461 PWs) bands (ev): 0.7256 0.7256 8.1232 8.1232 9.0216 9.0216 9.0239 9.0239 9.4474 9.4474 9.5501 9.5501 9.5687 9.5687 10.7784 10.7784 11.1026 11.1026 11.1117 11.1117 11.6093 11.6093 11.6209 11.6209 11.9336 11.9336 12.0221 12.0221 12.0311 12.0311 12.2567 12.2567 12.5661 12.5661 12.7700 12.7700 12.8520 12.8520 16.3531 16.3531 19.1881 19.1882 k = 0.0724 0.0724 0.0724 ( 1452 PWs) bands (ev): 0.7539 0.7539 8.1245 8.1245 9.0024 9.0024 9.0054 9.0054 9.4297 9.4297 9.5570 9.5570 9.5765 9.5765 10.7224 10.7224 11.0805 11.0805 11.0834 11.0834 11.5956 11.5956 11.6171 11.6171 11.9553 11.9553 12.0158 12.0158 12.0272 12.0272 12.2433 12.2433 12.5617 12.5617 12.8036 12.8036 12.8887 12.8887 16.4627 16.4627 19.2418 19.2419 k = 0.0789 0.0789 0.0789 ( 1458 PWs) bands (ev): 0.7849 0.7849 8.1249 8.1249 8.9811 8.9811 8.9850 8.9850 9.4101 9.4101 9.5647 9.5647 9.5850 9.5850 10.6688 10.6688 11.0558 11.0558 11.0581 11.0581 11.5821 11.5821 11.6123 11.6123 11.9726 11.9726 12.0081 12.0081 12.0240 12.0240 12.2282 12.2282 12.5568 12.5568 12.8383 12.8383 12.9258 12.9258 16.5804 16.5804 19.3008 19.3008 k = 0.0855 0.0855 0.0855 ( 1457 PWs) bands (ev): 0.8184 0.8184 8.1245 8.1245 8.9581 8.9581 8.9632 8.9632 9.3886 9.3886 9.5733 9.5733 9.5944 9.5944 10.6180 10.6180 11.0291 11.0291 11.0356 11.0356 11.5688 11.5688 11.6066 11.6066 11.9823 11.9823 11.9996 11.9996 12.0255 12.0255 12.2115 12.2115 12.5517 12.5517 12.8735 12.8735 12.9628 12.9628 16.7057 16.7057 19.3650 19.3650 k = 0.0921 0.0921 0.0921 ( 1457 PWs) bands (ev): 0.8545 0.8545 8.1229 8.1229 8.9336 8.9336 8.9399 8.9399 9.3656 9.3656 9.5828 9.5828 9.6046 9.6046 10.5703 10.5703 11.0036 11.0036 11.0133 11.0133 11.5558 11.5558 11.6002 11.6002 11.9821 11.9821 11.9902 11.9902 12.0338 12.0338 12.1932 12.1932 12.5466 12.5466 12.9089 12.9089 12.9995 12.9995 16.8383 16.8383 19.4344 19.4344 k = 0.0987 0.0987 0.0987 ( 1451 PWs) bands (ev): 0.8931 0.8931 8.1200 8.1200 8.9077 8.9077 8.9153 8.9153 9.3415 9.3415 9.5932 9.5932 9.6155 9.6155 10.5260 10.5260 10.9792 10.9792 10.9912 10.9912 11.5430 11.5430 11.5931 11.5931 11.9754 11.9754 11.9801 11.9801 12.0457 12.0457 12.1736 12.1736 12.5417 12.5417 12.9439 12.9439 13.0354 13.0354 16.9776 16.9776 19.5089 19.5090 k = 0.1053 0.1053 0.1053 ( 1457 PWs) bands (ev): 0.9343 0.9343 8.1153 8.1153 8.8804 8.8804 8.8894 8.8894 9.3163 9.3163 9.6043 9.6043 9.6272 9.6272 10.4852 10.4852 10.9557 10.9557 10.9694 10.9694 11.5305 11.5305 11.5855 11.5855 11.9656 11.9656 11.9691 11.9691 12.0579 12.0579 12.1524 12.1524 12.5367 12.5367 12.9782 12.9782 13.0702 13.0702 17.1233 17.1233 19.5884 19.5884 k = 0.1118 0.1118 0.1118 ( 1460 PWs) bands (ev): 0.9779 0.9779 8.1085 8.1085 8.8520 8.8520 8.8624 8.8624 9.2910 9.2910 9.6162 9.6162 9.6395 9.6395 10.4483 10.4483 10.9336 10.9336 10.9481 10.9481 11.5182 11.5182 11.5774 11.5774 11.9540 11.9540 11.9576 11.9576 12.0692 12.0692 12.1300 12.1300 12.5320 12.5320 13.0115 13.0115 13.1036 13.1036 17.2750 17.2750 19.6724 19.6724 k = 0.1184 0.1184 0.1184 ( 1460 PWs) bands (ev): 1.0239 1.0239 8.0992 8.0992 8.8226 8.8226 8.8346 8.8346 9.2659 9.2659 9.6289 9.6289 9.6525 9.6525 10.4150 10.4150 10.9125 10.9125 10.9272 10.9272 11.5063 11.5063 11.5691 11.5691 11.9414 11.9414 11.9458 11.9458 12.0782 12.0782 12.1075 12.1075 12.5274 12.5274 13.0436 13.0436 13.1355 13.1355 17.4322 17.4322 19.7595 19.7595 k = 0.1250 0.1250 0.1250 ( 1460 PWs) bands (ev): 1.0723 1.0723 8.0871 8.0871 8.7924 8.7924 8.8060 8.8060 9.2419 9.2419 9.6422 9.6422 9.6662 9.6662 10.3853 10.3853 10.8924 10.8924 10.9068 10.9068 11.4948 11.4948 11.5605 11.5605 11.9281 11.9281 11.9336 11.9336 12.0739 12.0739 12.0960 12.0960 12.5230 12.5230 13.0740 13.0740 13.1655 13.1655 17.5945 17.5945 19.8426 19.8427 k = 0.1316 0.1316 0.1316 ( 1460 PWs) bands (ev): 1.1231 1.1231 8.0718 8.0718 8.7616 8.7616 8.7768 8.7768 9.2196 9.2196 9.6562 9.6562 9.6804 9.6804 10.3590 10.3590 10.8732 10.8732 10.8867 10.8867 11.4837 11.4837 11.5519 11.5519 11.9141 11.9141 11.9212 11.9212 12.0503 12.0503 12.1015 12.1015 12.5187 12.5187 13.1027 13.1027 13.1936 13.1936 17.7616 17.7616 19.8254 19.8254 k = 0.1382 0.1382 0.1382 ( 1460 PWs) bands (ev): 1.1761 1.1761 8.0531 8.0531 8.7304 8.7304 8.7471 8.7471 9.1997 9.1997 9.6707 9.6707 9.6951 9.6951 10.3358 10.3358 10.8547 10.8547 10.8669 10.8669 11.4732 11.4732 11.5433 11.5433 11.8995 11.8995 11.9087 11.9087 12.0231 12.0231 12.1085 12.1085 12.5147 12.5147 13.1295 13.1295 13.2196 13.2196 17.9327 17.9327 19.6608 19.6608 k = 0.1447 0.1447 0.1447 ( 1466 PWs) bands (ev): 1.2314 1.2314 8.0307 8.0307 8.6987 8.6987 8.7171 8.7171 9.1825 9.1825 9.6855 9.6855 9.7100 9.7100 10.3156 10.3156 10.8369 10.8369 10.8474 10.8474 11.4632 11.4632 11.5349 11.5349 11.8845 11.8845 11.8960 11.8960 11.9946 11.9946 12.1150 12.1150 12.5109 12.5109 13.1542 13.1542 13.2433 13.2433 18.1070 18.1070 19.4823 19.4823 k = 0.1513 0.1513 0.1513 ( 1466 PWs) bands (ev): 1.2888 1.2888 8.0047 8.0047 8.6671 8.6671 8.6870 8.6870 9.1691 9.1691 9.7009 9.7009 9.7255 9.7255 10.2980 10.2980 10.8195 10.8195 10.8280 10.8280 11.4539 11.4539 11.5268 11.5268 11.8691 11.8691 11.8834 11.8834 11.9652 11.9652 12.1208 12.1208 12.5072 12.5072 13.1767 13.1767 13.2647 13.2647 18.2828 18.2828 19.3047 19.3047 k = 0.1579 0.1579 0.1579 ( 1466 PWs) bands (ev): 1.3484 1.3484 7.9750 7.9750 8.6355 8.6355 8.6570 8.6570 9.1594 9.1594 9.7167 9.7167 9.7413 9.7413 10.2828 10.2828 10.8024 10.8024 10.8087 10.8087 11.4453 11.4453 11.5190 11.5190 11.8532 11.8532 11.8709 11.8709 11.9353 11.9353 12.1260 12.1260 12.5037 12.5037 13.1969 13.1969 13.2836 13.2836 18.4550 18.4550 19.1345 19.1345 k = 0.1645 0.1645 0.1645 ( 1466 PWs) bands (ev): 1.4100 1.4100 7.9417 7.9417 8.6042 8.6042 8.6272 8.6272 9.1538 9.1538 9.7328 9.7328 9.7573 9.7573 10.2698 10.2698 10.7856 10.7856 10.7893 10.7893 11.4374 11.4374 11.5118 11.5118 11.8365 11.8365 11.8585 11.8585 11.9052 11.9052 12.1306 12.1306 12.5003 12.5003 13.2147 13.2147 13.3000 13.3000 18.6016 18.6016 18.9942 18.9942 k = 0.1711 0.1711 0.1711 ( 1466 PWs) bands (ev): 1.4736 1.4736 7.9053 7.9053 8.5733 8.5733 8.5978 8.5978 9.1523 9.1523 9.7490 9.7490 9.7734 9.7734 10.2588 10.2588 10.7689 10.7689 10.7700 10.7700 11.4305 11.4305 11.5052 11.5052 11.8186 11.8186 11.8463 11.8463 11.8756 11.8756 12.1346 12.1346 12.4970 12.4970 13.2300 13.2300 13.3139 13.3139 18.6237 18.6237 18.9827 18.9827 k = 0.1776 0.1776 0.1776 ( 1484 PWs) bands (ev): 1.5390 1.5390 7.8660 7.8660 8.5427 8.5427 8.5686 8.5686 9.1540 9.1540 9.7650 9.7650 9.7892 9.7892 10.2493 10.2493 10.7501 10.7501 10.7519 10.7519 11.4243 11.4243 11.4992 11.4992 11.7985 11.7985 11.8344 11.8344 11.8477 11.8477 12.1382 12.1382 12.4938 12.4938 13.2428 13.2428 13.3251 13.3251 18.4974 18.4974 19.1236 19.1236 k = 0.1842 0.1842 0.1842 ( 1484 PWs) bands (ev): 1.6063 1.6063 7.8244 7.8244 8.5130 8.5130 8.5402 8.5402 9.1604 9.1604 9.7812 9.7812 9.8052 9.8052 10.2416 10.2416 10.7306 10.7306 10.7352 10.7352 11.4191 11.4191 11.4940 11.4940 11.7750 11.7750 11.8229 11.8229 11.8229 11.8229 12.1414 12.1414 12.4908 12.4908 13.2530 13.2530 13.3336 13.3336 18.3330 18.3330 19.3057 19.3057 k = 0.1908 0.1908 0.1908 ( 1484 PWs) bands (ev): 1.6753 1.6753 7.7808 7.7808 8.4841 8.4841 8.5126 8.5126 9.1705 9.1705 9.7973 9.7973 9.8209 9.8209 10.2352 10.2352 10.7109 10.7109 10.7184 10.7184 11.4147 11.4147 11.4896 11.4896 11.7475 11.7475 11.8019 11.8019 11.8117 11.8117 12.1443 12.1443 12.4879 12.4879 13.2606 13.2606 13.3395 13.3395 18.1603 18.1603 19.4926 19.4926 k = 0.1974 0.1974 0.1974 ( 1478 PWs) bands (ev): 1.7459 1.7459 7.7359 7.7359 8.4561 8.4561 8.4858 8.4858 9.1842 9.1842 9.8131 9.8131 9.8364 9.8364 10.2301 10.2301 10.6914 10.6914 10.7017 10.7017 11.4113 11.4113 11.4860 11.4860 11.7170 11.7170 11.7839 11.7839 11.8010 11.8010 12.1468 12.1468 12.4851 12.4851 13.2656 13.2656 13.3427 13.3427 17.9855 17.9855 19.5501 19.5501 k = 0.2039 0.2039 0.2039 ( 1478 PWs) bands (ev): 1.8179 1.8179 7.6902 7.6902 8.4291 8.4291 8.4600 8.4600 9.2008 9.2008 9.8285 9.8285 9.8512 9.8512 10.2262 10.2262 10.6718 10.6718 10.6848 10.6848 11.4086 11.4086 11.4831 11.4831 11.6848 11.6848 11.7677 11.7677 11.7909 11.7909 12.1491 12.1491 12.4823 12.4823 13.2679 13.2679 13.3431 13.3431 17.8106 17.8106 19.4104 19.4104 k = 0.2105 0.2105 0.2105 ( 1484 PWs) bands (ev): 1.8914 1.8914 7.6440 7.6440 8.4032 8.4032 8.4352 8.4352 9.2202 9.2202 9.8432 9.8432 9.8654 9.8654 10.2233 10.2233 10.6522 10.6522 10.6679 10.6679 11.4068 11.4068 11.4807 11.4807 11.6517 11.6517 11.7527 11.7527 11.7812 11.7812 12.1512 12.1512 12.4796 12.4796 13.2675 13.2675 13.3408 13.3408 17.6364 17.6364 19.2579 19.2579 k = 0.2171 0.2171 0.2171 ( 1484 PWs) bands (ev): 1.9661 1.9661 7.5978 7.5978 8.3786 8.3786 8.4117 8.4117 9.2423 9.2423 9.8572 9.8572 9.8786 9.8786 10.2214 10.2214 10.6330 10.6330 10.6510 10.6510 11.4056 11.4056 11.4786 11.4786 11.6187 11.6187 11.7387 11.7387 11.7722 11.7722 12.1531 12.1531 12.4770 12.4770 13.2645 13.2645 13.3358 13.3358 17.4633 17.4633 19.1060 19.1060 k = 0.2237 0.2237 0.2237 ( 1478 PWs) bands (ev): 2.0419 2.0419 7.5522 7.5522 8.3553 8.3553 8.3894 8.3894 9.2667 9.2667 9.8702 9.8702 9.8908 9.8908 10.2205 10.2205 10.6144 10.6144 10.6347 10.6347 11.4050 11.4050 11.4761 11.4761 11.5866 11.5866 11.7254 11.7254 11.7639 11.7639 12.1549 12.1549 12.4745 12.4745 13.2588 13.2588 13.3281 13.3281 17.2915 17.2915 18.9565 18.9565 k = 0.2303 0.2303 0.2303 ( 1475 PWs) bands (ev): 2.1187 2.1187 7.5075 7.5075 8.3334 8.3334 8.3684 8.3684 9.2930 9.2930 9.8821 9.8821 9.9017 9.9017 10.2206 10.2206 10.5964 10.5964 10.6186 10.6186 11.4051 11.4051 11.4718 11.4718 11.5569 11.5569 11.7129 11.7129 11.7564 11.7564 12.1566 12.1566 12.4720 12.4720 13.2505 13.2505 13.3176 13.3176 17.1214 17.1214 18.8103 18.8103 k = 0.2368 0.2368 0.2368 ( 1475 PWs) bands (ev): 2.1962 2.1962 7.4641 7.4641 8.3130 8.3130 8.3489 8.3489 9.3211 9.3211 9.8924 9.8924 9.9109 9.9109 10.2216 10.2216 10.5792 10.5792 10.6031 10.6031 11.4055 11.4055 11.4624 11.4624 11.5328 11.5328 11.7011 11.7011 11.7495 11.7495 12.1581 12.1581 12.4696 12.4696 13.2395 13.2395 13.3045 13.3045 16.9529 16.9529 18.6676 18.6676 k = 0.2434 0.2434 0.2434 ( 1469 PWs) bands (ev): 2.2744 2.2744 7.4224 7.4224 8.2942 8.2942 8.3308 8.3308 9.3508 9.3508 9.9011 9.9011 9.9184 9.9184 10.2236 10.2236 10.5633 10.5633 10.5886 10.5886 11.4062 11.4062 11.4441 11.4441 11.5181 11.5181 11.6902 11.6902 11.7435 11.7435 12.1596 12.1596 12.4673 12.4673 13.2259 13.2259 13.2887 13.2887 16.7862 16.7862 18.5289 18.5289 k = 0.2500 0.2500 0.2500 ( 1469 PWs) bands (ev): 2.3531 2.3531 7.3828 7.3828 8.2769 8.2769 8.3143 8.3143 9.3815 9.3815 9.9078 9.9078 9.9237 9.9237 10.2267 10.2267 10.5487 10.5487 10.5751 10.5751 11.4071 11.4071 11.4178 11.4178 11.5118 11.5118 11.6801 11.6801 11.7383 11.7383 12.1609 12.1609 12.4650 12.4650 13.2098 13.2098 13.2702 13.2702 16.6214 16.6214 18.3943 18.3943 k = 0.2566 0.2566 0.2566 ( 1469 PWs) bands (ev): 2.4319 2.4319 7.3454 7.3454 8.2613 8.2613 8.2993 8.2993 9.4131 9.4131 9.9123 9.9123 9.9267 9.9267 10.2310 10.2310 10.5357 10.5357 10.5630 10.5630 11.3872 11.3872 11.4081 11.4081 11.5098 11.5098 11.6710 11.6710 11.7340 11.7340 12.1621 12.1621 12.4627 12.4627 13.1911 13.1911 13.2493 13.2493 16.4586 16.4586 18.2641 18.2641 k = 0.2632 0.2632 0.2632 ( 1475 PWs) bands (ev): 2.5108 2.5108 7.3108 7.3108 8.2473 8.2473 8.2860 8.2860 9.4451 9.4451 9.9144 9.9144 9.9271 9.9271 10.2362 10.2362 10.5246 10.5246 10.5524 10.5524 11.3550 11.3550 11.4091 11.4091 11.5096 11.5096 11.6630 11.6630 11.7303 11.7303 12.1632 12.1632 12.4605 12.4605 13.1700 13.1700 13.2258 13.2258 16.2978 16.2978 18.1383 18.1383 k = 0.2697 0.2697 0.2697 ( 1478 PWs) bands (ev): 2.5895 2.5895 7.2791 7.2791 8.2352 8.2352 8.2745 8.2745 9.4772 9.4772 9.9138 9.9138 9.9246 9.9246 10.2434 10.2434 10.5154 10.5154 10.5437 10.5437 11.3222 11.3222 11.4101 11.4101 11.5099 11.5099 11.6564 11.6564 11.7275 11.7275 12.1642 12.1642 12.4583 12.4583 13.1466 13.1466 13.2001 13.2001 16.1392 16.1392 18.0172 18.0172 k = 0.2763 0.2763 0.2763 ( 1478 PWs) bands (ev): 2.6677 2.6677 7.2508 7.2508 8.2247 8.2247 8.2646 8.2646 9.5092 9.5092 9.9105 9.9105 9.9195 9.9195 10.2524 10.2524 10.5084 10.5084 10.5368 10.5368 11.2892 11.2892 11.4110 11.4110 11.5100 11.5100 11.6513 11.6513 11.7255 11.7255 12.1651 12.1651 12.4561 12.4561 13.1209 13.1209 13.1720 13.1720 15.9829 15.9829 17.9008 17.9008 k = 0.2829 0.2829 0.2829 ( 1481 PWs) bands (ev): 2.7453 2.7453 7.2261 7.2261 8.2161 8.2161 8.2564 8.2564 9.5406 9.5406 9.9044 9.9044 9.9116 9.9116 10.2635 10.2635 10.5034 10.5034 10.5319 10.5319 11.2565 11.2565 11.4117 11.4117 11.5095 11.5095 11.6477 11.6477 11.7242 11.7242 12.1659 12.1659 12.4539 12.4539 13.0931 13.0931 13.1418 13.1418 15.8288 15.8288 17.7893 17.7893 k = 0.2895 0.2895 0.2895 ( 1478 PWs) bands (ev): 2.8219 2.8219 7.2053 7.2053 8.2093 8.2093 8.2501 8.2501 9.5708 9.5708 9.8955 9.8955 9.9008 9.9008 10.2771 10.2771 10.5005 10.5005 10.5292 10.5292 11.2240 11.2240 11.4123 11.4123 11.5082 11.5082 11.6457 11.6457 11.7235 11.7235 12.1665 12.1665 12.4518 12.4518 13.0633 13.0633 13.1096 13.1096 15.6771 15.6771 17.6826 17.6826 k = 0.2961 0.2961 0.2961 ( 1478 PWs) bands (ev): 2.8973 2.8973 7.1887 7.1887 8.2043 8.2043 8.2455 8.2455 9.5996 9.5996 9.8839 9.8839 9.8874 9.8874 10.2931 10.2931 10.4995 10.4995 10.5284 10.5284 11.1920 11.1920 11.4127 11.4127 11.5059 11.5059 11.6451 11.6451 11.7232 11.7232 12.1668 12.1668 12.4497 12.4497 13.0318 13.0318 13.0758 13.0758 15.5280 15.5280 17.5807 17.5807 k = 0.3026 0.3026 0.3026 ( 1478 PWs) bands (ev): 2.9712 2.9712 7.1765 7.1765 8.2012 8.2012 8.2428 8.2428 9.6262 9.6262 9.8696 9.8696 9.8715 9.8715 10.3122 10.3122 10.5003 10.5003 10.5294 10.5294 11.1606 11.1606 11.4129 11.4129 11.5027 11.5027 11.6458 11.6458 11.7233 11.7233 12.1670 12.1670 12.4475 12.4475 12.9987 12.9987 13.0403 13.0403 15.3814 15.3814 17.4838 17.4838 k = 0.3092 0.3092 0.3092 ( 1475 PWs) bands (ev): 3.0434 3.0434 7.1691 7.1691 8.2000 8.2000 8.2419 8.2419 9.6504 9.6504 9.8530 9.8530 9.8534 9.8534 10.3348 10.3348 10.5025 10.5025 10.5322 10.5322 11.1298 11.1298 11.4131 11.4131 11.4988 11.4988 11.6474 11.6474 11.7235 11.7235 12.1668 12.1668 12.4453 12.4453 12.9642 12.9642 13.0036 13.0036 15.2376 15.2376 17.3918 17.3918 k = 0.3158 0.3158 0.3158 ( 1475 PWs) bands (ev): 3.1136 3.1136 7.1666 7.1666 8.2007 8.2007 8.2428 8.2428 9.6716 9.6716 9.8332 9.8332 9.8342 9.8342 10.3605 10.3605 10.5059 10.5059 10.5364 10.5364 11.0996 11.0996 11.4130 11.4130 11.4942 11.4942 11.6497 11.6497 11.7236 11.7236 12.1663 12.1663 12.4431 12.4431 12.9286 12.9286 12.9658 12.9658 15.0966 15.0966 17.3045 17.3045 k = 0.3224 0.3224 0.3224 ( 1475 PWs) bands (ev): 3.1814 3.1814 7.1692 7.1692 8.2032 8.2032 8.2456 8.2456 9.6894 9.6894 9.8113 9.8113 9.8136 9.8136 10.3896 10.3896 10.5103 10.5103 10.5421 10.5421 11.0702 11.0702 11.4130 11.4130 11.4892 11.4892 11.6523 11.6523 11.7236 11.7236 12.1654 12.1654 12.4409 12.4409 12.8921 12.8921 12.9273 12.9273 14.9586 14.9586 17.2221 17.2221 k = 0.3289 0.3289 0.3289 ( 1469 PWs) bands (ev): 3.2467 3.2467 7.1772 7.1772 8.2076 8.2076 8.2502 8.2502 9.7033 9.7033 9.7877 9.7877 9.7918 9.7918 10.4221 10.4221 10.5154 10.5154 10.5492 10.5492 11.0417 11.0417 11.4130 11.4130 11.4840 11.4840 11.6549 11.6549 11.7232 11.7232 12.1642 12.1642 12.4388 12.4388 12.8551 12.8551 12.8884 12.8884 14.8237 14.8237 17.1444 17.1444 k = 0.3355 0.3355 0.3355 ( 1466 PWs) bands (ev): 3.3092 3.3092 7.1908 7.1908 8.2139 8.2139 8.2566 8.2566 9.7120 9.7120 9.7629 9.7629 9.7701 9.7701 10.4573 10.4573 10.5210 10.5210 10.5577 10.5577 11.0142 11.0142 11.4128 11.4128 11.4786 11.4786 11.6573 11.6573 11.7222 11.7222 12.1623 12.1623 12.4365 12.4365 12.8179 12.8179 12.8495 12.8495 14.6921 14.6921 17.0712 17.0712 k = 0.3421 0.3421 0.3421 ( 1472 PWs) bands (ev): 3.3687 3.3687 7.2100 7.2100 8.2219 8.2219 8.2648 8.2648 9.7121 9.7121 9.7368 9.7368 9.7520 9.7520 10.4935 10.4935 10.5268 10.5268 10.5690 10.5690 10.9875 10.9875 11.4126 11.4126 11.4731 11.4731 11.6591 11.6591 11.7204 11.7204 12.1599 12.1599 12.4339 12.4339 12.7806 12.7806 12.8107 12.8107 14.5641 14.5641 17.0025 17.0025 k = 0.3487 0.3487 0.3487 ( 1472 PWs) bands (ev): 3.4251 3.4251 7.2350 7.2350 8.2319 8.2319 8.2748 8.2748 9.6978 9.6978 9.7097 9.7097 9.7436 9.7436 10.5269 10.5269 10.5328 10.5328 10.5868 10.5868 10.9617 10.9617 11.4124 11.4124 11.4676 11.4676 11.6602 11.6602 11.7177 11.7177 12.1569 12.1569 12.4312 12.4312 12.7439 12.7439 12.7726 12.7726 14.4398 14.4398 16.9382 16.9382 k = 0.3553 0.3553 0.3553 ( 1472 PWs) bands (ev): 3.4781 3.4781 7.2657 7.2657 8.2437 8.2437 8.2866 8.2866 9.6736 9.6736 9.6816 9.6816 9.7406 9.7406 10.5388 10.5388 10.5507 10.5507 10.6170 10.6170 10.9370 10.9370 11.4122 11.4122 11.4621 11.4621 11.6603 11.6603 11.7138 11.7138 12.1533 12.1533 12.4284 12.4284 12.7080 12.7080 12.7356 12.7356 14.3194 14.3194 16.8781 16.8781 k = 0.3618 0.3618 0.3618 ( 1472 PWs) bands (ev): 3.5277 3.5277 7.3023 7.3023 8.2573 8.2573 8.3002 8.3002 9.6457 9.6457 9.6528 9.6528 9.7372 9.7372 10.5447 10.5447 10.5651 10.5651 10.6589 10.6589 10.9135 10.9135 11.4120 11.4120 11.4567 11.4567 11.6593 11.6593 11.7087 11.7087 12.1491 12.1491 12.4254 12.4254 12.6733 12.6733 12.7000 12.7000 14.2033 14.2033 16.8220 16.8220 k = 0.3684 0.3684 0.3684 ( 1475 PWs) bands (ev): 3.5738 3.5738 7.3445 7.3445 8.2726 8.2726 8.3155 8.3155 9.6160 9.6160 9.6232 9.6232 9.7312 9.7312 10.5503 10.5503 10.5751 10.5751 10.7065 10.7065 10.8913 10.8913 11.4118 11.4118 11.4514 11.4514 11.6572 11.6572 11.7022 11.7022 12.1441 12.1441 12.4222 12.4222 12.6400 12.6400 12.6661 12.6661 14.0917 14.0917 16.7699 16.7699 k = 0.3750 0.3750 0.3750 ( 1487 PWs) bands (ev): 3.6164 3.6164 7.3922 7.3922 8.2897 8.2897 8.3324 8.3324 9.5849 9.5849 9.5928 9.5928 9.7228 9.7228 10.5555 10.5555 10.5829 10.5829 10.7568 10.7568 10.8708 10.8708 11.4113 11.4113 11.4461 11.4461 11.6536 11.6536 11.6942 11.6942 12.1383 12.1383 12.4183 12.4183 12.6086 12.6086 12.6341 12.6341 13.9848 13.9848 16.7215 16.7215 k = 0.3816 0.3816 0.3816 ( 1481 PWs) bands (ev): 3.6556 3.6556 7.4454 7.4454 8.3085 8.3085 8.3510 8.3510 9.5530 9.5530 9.5621 9.5621 9.7117 9.7117 10.5605 10.5605 10.5897 10.5897 10.8056 10.8056 10.8553 10.8553 11.4109 11.4109 11.4409 11.4409 11.6490 11.6490 11.6850 11.6850 12.1318 12.1318 12.4145 12.4145 12.5794 12.5794 12.6046 12.6046 13.8830 13.8830 16.6767 16.6767 k = 0.3882 0.3882 0.3882 ( 1478 PWs) bands (ev): 3.6913 3.6913 7.5037 7.5037 8.3289 8.3289 8.3712 8.3712 9.5203 9.5203 9.5308 9.5308 9.6976 9.6976 10.5649 10.5649 10.5953 10.5953 10.8221 10.8221 10.8742 10.8742 11.4103 11.4103 11.4358 11.4358 11.6431 11.6431 11.6745 11.6745 12.1247 12.1247 12.4103 12.4103 12.5527 12.5527 12.5774 12.5774 13.7865 13.7865 16.6353 16.6353 k = 0.3947 0.3947 0.3947 ( 1478 PWs) bands (ev): 3.7237 3.7237 7.5669 7.5669 8.3508 8.3508 8.3928 8.3928 9.4869 9.4869 9.4989 9.4989 9.6805 9.6805 10.5689 10.5689 10.5999 10.5999 10.8088 10.8088 10.9245 10.9245 11.4094 11.4094 11.4306 11.4306 11.6360 11.6360 11.6629 11.6629 12.1171 12.1171 12.4056 12.4056 12.5286 12.5286 12.5528 12.5528 13.6957 13.6957 16.5972 16.5972 k = 0.4013 0.4013 0.4013 ( 1478 PWs) bands (ev): 3.7529 3.7529 7.6345 7.6345 8.3743 8.3743 8.4160 8.4160 9.4528 9.4528 9.4667 9.4667 9.6604 9.6604 10.5724 10.5724 10.6035 10.6035 10.7938 10.7938 10.9774 10.9774 11.4081 11.4081 11.4253 11.4253 11.6280 11.6280 11.6505 11.6505 12.1091 12.1091 12.4003 12.4003 12.5074 12.5074 12.5307 12.5307 13.6107 13.6107 16.5622 16.5622 k = 0.4079 0.4079 0.4079 ( 1484 PWs) bands (ev): 3.7791 3.7791 7.7063 7.7063 8.3993 8.3993 8.4404 8.4404 9.4181 9.4181 9.4339 9.4339 9.6371 9.6371 10.5754 10.5754 10.6061 10.6061 10.7797 10.7797 11.0296 11.0296 11.4063 11.4063 11.4197 11.4197 11.6190 11.6190 11.6373 11.6373 12.1012 12.1012 12.3945 12.3945 12.4891 12.4891 12.5110 12.5110 13.5317 13.5317 16.5302 16.5302 k = 0.4145 0.4145 0.4145 ( 1484 PWs) bands (ev): 3.8024 3.8024 7.7819 7.7819 8.4256 8.4256 8.4662 8.4662 9.3829 9.3829 9.4008 9.4008 9.6105 9.6105 10.5779 10.5779 10.6076 10.6076 10.7671 10.7671 11.0799 11.0799 11.4039 11.4039 11.4141 11.4141 11.6099 11.6099 11.6242 11.6242 12.0936 12.0936 12.3881 12.3881 12.4739 12.4739 12.4940 12.4940 13.4589 13.4589 16.5010 16.5010 k = 0.4211 0.4211 0.4211 ( 1484 PWs) bands (ev): 3.8231 3.8231 7.8607 7.8607 8.4532 8.4532 8.4932 8.4932 9.3472 9.3472 9.3674 9.3674 9.5804 9.5804 10.5800 10.5800 10.6081 10.6081 10.7559 10.7559 11.1275 11.1275 11.4008 11.4008 11.4081 11.4081 11.6006 11.6006 11.6114 11.6114 12.0870 12.0870 12.3814 12.3814 12.4614 12.4614 12.4792 12.4792 13.3924 13.3924 16.4744 16.4744 k = 0.4276 0.4276 0.4276 ( 1484 PWs) bands (ev): 3.8412 3.8412 7.9423 7.9423 8.4821 8.4821 8.5213 8.5213 9.3111 9.3111 9.3337 9.3337 9.5468 9.5468 10.5817 10.5817 10.6076 10.6076 10.7463 10.7463 11.1714 11.1714 11.3970 11.3970 11.4018 11.4018 11.5915 11.5915 11.5991 11.5991 12.0819 12.0819 12.3745 12.3745 12.4515 12.4515 12.4666 12.4666 13.3320 13.3320 16.4504 16.4504 k = 0.4342 0.4342 0.4342 ( 1484 PWs) bands (ev): 3.8570 3.8570 8.0261 8.0261 8.5121 8.5121 8.5504 8.5504 9.2746 9.2746 9.2997 9.2997 9.5095 9.5095 10.5830 10.5830 10.6062 10.6062 10.7382 10.7382 11.2110 11.2110 11.3923 11.3923 11.3953 11.3953 11.5829 11.5829 11.5879 11.5879 12.0790 12.0790 12.3678 12.3678 12.4436 12.4436 12.4559 12.4559 13.2776 13.2776 16.4288 16.4288 k = 0.4408 0.4408 0.4408 ( 1490 PWs) bands (ev): 3.8706 3.8706 8.1118 8.1118 8.5431 8.5431 8.5803 8.5803 9.2378 9.2378 9.2656 9.2656 9.4683 9.4683 10.5839 10.5839 10.6041 10.6041 10.7315 10.7315 11.2453 11.2453 11.3868 11.3868 11.3884 11.3884 11.5748 11.5748 11.5779 11.5779 12.0789 12.0789 12.3615 12.3615 12.4373 12.4373 12.4468 12.4468 13.2292 13.2292 16.4095 16.4095 k = 0.4474 0.4474 0.4474 ( 1496 PWs) bands (ev): 3.8824 3.8824 8.1986 8.1986 8.5749 8.5749 8.6108 8.6108 9.2009 9.2009 9.2314 9.2314 9.4233 9.4233 10.5845 10.5845 10.6013 10.6013 10.7260 10.7260 11.2740 11.2740 11.3808 11.3808 11.3817 11.3817 11.5676 11.5676 11.5691 11.5691 12.0819 12.0819 12.3556 12.3556 12.4322 12.4322 12.4393 12.4393 13.1865 13.1865 16.3922 16.3922 k = 0.4539 0.4539 0.4539 ( 1490 PWs) bands (ev): 3.8923 3.8923 8.2861 8.2861 8.6074 8.6074 8.6418 8.6418 9.1639 9.1639 9.1975 9.1975 9.3744 9.3744 10.5850 10.5850 10.5984 10.5984 10.7217 10.7217 11.2970 11.2970 11.3747 11.3747 11.3751 11.3751 11.5614 11.5614 11.5620 11.5620 12.0879 12.0879 12.3507 12.3507 12.4282 12.4282 12.4333 12.4333 13.1492 13.1492 16.3770 16.3770 k = 0.4605 0.4605 0.4605 ( 1484 PWs) bands (ev): 3.9007 3.9007 8.3736 8.3736 8.6404 8.6404 8.6730 8.6730 9.1271 9.1271 9.1639 9.1639 9.3218 9.3218 10.5852 10.5852 10.5955 10.5955 10.7185 10.7185 11.3147 11.3147 11.3684 11.3684 11.3688 11.3688 11.5562 11.5562 11.5562 11.5562 12.0965 12.0965 12.3465 12.3465 12.4250 12.4250 12.4285 12.4285 13.1172 13.1172 16.3635 16.3635 k = 0.4671 0.4671 0.4671 ( 1472 PWs) bands (ev): 3.9075 3.9075 8.4604 8.4604 8.6734 8.6734 8.7039 8.7039 9.0905 9.0905 9.1312 9.1312 9.2657 9.2657 10.5854 10.5854 10.5929 10.5929 10.7160 10.7160 11.3276 11.3276 11.3626 11.3626 11.3630 11.3630 11.5518 11.5518 11.5520 11.5520 12.1069 12.1069 12.3430 12.3430 12.4224 12.4224 12.4247 12.4247 13.0902 13.0902 16.3514 16.3514 k = 0.4737 0.4737 0.4737 ( 1472 PWs) bands (ev): 3.9129 3.9129 8.5457 8.5457 8.7060 8.7060 8.7337 8.7337 9.0545 9.0545 9.0998 9.0998 9.2068 9.2068 10.5854 10.5854 10.5903 10.5903 10.7140 10.7140 11.3364 11.3364 11.3572 11.3572 11.3579 11.3579 11.5482 11.5482 11.5485 11.5485 12.1180 12.1180 12.3402 12.3402 12.4204 12.4204 12.4217 12.4217 13.0682 13.0682 16.3404 16.3404 k = 0.4803 0.4803 0.4803 ( 1472 PWs) bands (ev): 3.9170 3.9170 8.6281 8.6281 8.7371 8.7371 8.7614 8.7614 9.0195 9.0195 9.0709 9.0709 9.1464 9.1464 10.5853 10.5853 10.5881 10.5881 10.7125 10.7125 11.3420 11.3420 11.3527 11.3527 11.3537 11.3537 11.5457 11.5457 11.5459 11.5459 12.1284 12.1284 12.3381 12.3381 12.4188 12.4188 12.4195 12.4195 13.0510 13.0510 16.3299 16.3299 k = 0.4868 0.4868 0.4868 ( 1472 PWs) bands (ev): 3.9199 3.9199 8.7053 8.7053 8.7650 8.7650 8.7851 8.7851 8.9858 8.9858 9.0463 9.0463 9.0882 9.0882 10.5852 10.5852 10.5865 10.5865 10.7115 10.7115 11.3452 11.3452 11.3493 11.3493 11.3507 11.3507 11.5439 11.5439 11.5440 11.5440 12.1369 12.1369 12.3365 12.3365 12.4177 12.4177 12.4180 12.4180 13.0387 13.0387 16.3196 16.3196 k = 0.4934 0.4934 0.4934 ( 1472 PWs) bands (ev): 3.9216 3.9216 8.7692 8.7692 8.7880 8.7880 8.8019 8.8019 8.9538 8.9538 9.0290 9.0290 9.0413 9.0413 10.5852 10.5852 10.5855 10.5855 10.7109 10.7109 11.3464 11.3464 11.3472 11.3472 11.3494 11.3494 11.5429 11.5429 11.5429 11.5429 12.1424 12.1424 12.3356 12.3356 12.4171 12.4171 12.4171 12.4171 13.0312 13.0312 16.3112 16.3112 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): 3.9222 3.9222 8.7891 8.7891 8.8081 8.8081 8.8081 8.8081 8.9351 8.9351 9.0226 9.0226 9.0226 9.0226 10.5851 10.5851 10.5851 10.5851 10.7107 10.7107 11.3465 11.3465 11.3465 11.3465 11.3492 11.3492 11.5426 11.5426 11.5426 11.5426 12.1443 12.1443 12.3353 12.3353 12.4168 12.4168 12.4168 12.4168 13.0288 13.0288 16.3078 16.3078 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): 3.9222 3.9222 8.7891 8.7891 8.8081 8.8081 8.8081 8.8081 8.9351 8.9351 9.0226 9.0226 9.0226 9.0226 10.5851 10.5851 10.5851 10.5851 10.7107 10.7107 11.3465 11.3465 11.3465 11.3465 11.3492 11.3492 11.5426 11.5426 11.5426 11.5426 12.1443 12.1443 12.3353 12.3353 12.4168 12.4168 12.4168 12.4168 13.0288 13.0288 16.3078 16.3078 k = 0.4919 0.5000 0.4919 ( 1472 PWs) bands (ev): 3.9216 3.9216 8.7731 8.7731 8.7805 8.7805 8.8056 8.8056 8.9533 8.9533 9.0301 9.0301 9.0405 9.0405 10.5852 10.5852 10.5855 10.5855 10.7109 10.7109 11.3462 11.3462 11.3472 11.3472 11.3495 11.3495 11.5428 11.5428 11.5431 11.5431 12.1424 12.1424 12.3356 12.3356 12.4169 12.4169 12.4173 12.4173 13.0312 13.0312 16.3112 16.3112 k = 0.4839 0.5000 0.4839 ( 1472 PWs) bands (ev): 3.9199 3.9199 8.7233 8.7233 8.7279 8.7279 8.8076 8.8076 8.9755 8.9755 9.0587 9.0587 9.0826 9.0826 10.5852 10.5852 10.5865 10.5865 10.7115 10.7115 11.3442 11.3442 11.3487 11.3487 11.3524 11.3524 11.5435 11.5435 11.5445 11.5445 12.1368 12.1368 12.3365 12.3365 12.4172 12.4172 12.4186 12.4186 13.0387 13.0387 16.3200 16.3200 k = 0.4758 0.5000 0.4758 ( 1472 PWs) bands (ev): 3.9170 3.9170 8.6572 8.6572 8.6687 8.6687 8.8132 8.8132 8.9842 8.9842 9.1060 9.1060 9.1339 9.1339 10.5853 10.5853 10.5882 10.5882 10.7125 10.7125 11.3397 11.3397 11.3508 11.3508 11.3581 11.3581 11.5446 11.5446 11.5468 11.5468 12.1281 12.1281 12.3380 12.3380 12.4176 12.4176 12.4209 12.4209 13.0510 13.0510 16.3308 16.3308 k = 0.4677 0.5000 0.4677 ( 1472 PWs) bands (ev): 3.9130 3.9130 8.5866 8.5866 8.6041 8.6041 8.8216 8.8216 8.9867 8.9867 9.1594 9.1594 9.1878 9.1878 10.5853 10.5853 10.5904 10.5904 10.7140 10.7140 11.3327 11.3327 11.3537 11.3537 11.3657 11.3657 11.5465 11.5465 11.5501 11.5501 12.1171 12.1171 12.3400 12.3400 12.4184 12.4184 12.4241 12.4241 13.0683 13.0683 16.3412 16.3412 k = 0.4597 0.5000 0.4597 ( 1476 PWs) bands (ev): 3.9077 3.9077 8.5132 8.5132 8.5374 8.5374 8.8322 8.8322 8.9869 8.9869 9.2131 9.2131 9.2417 9.2417 10.5853 10.5853 10.5930 10.5930 10.7158 10.7158 11.3226 11.3226 11.3573 11.3573 11.3748 11.3748 11.5490 11.5490 11.5542 11.5542 12.1049 12.1049 12.3425 12.3425 12.4198 12.4198 12.4284 12.4284 13.0902 13.0902 16.3501 16.3501 k = 0.4516 0.5000 0.4516 ( 1480 PWs) bands (ev): 3.9010 3.9010 8.4376 8.4376 8.4702 8.4702 8.8454 8.8454 8.9861 8.9861 9.2653 9.2653 9.2945 9.2945 10.5852 10.5852 10.5961 10.5961 10.7183 10.7183 11.3087 11.3087 11.3616 11.3616 11.3847 11.3847 11.5526 11.5526 11.5591 11.5591 12.0925 12.0925 12.3453 12.3453 12.4218 12.4218 12.4339 12.4339 13.1169 13.1169 16.3576 16.3576 k = 0.4435 0.5000 0.4435 ( 1484 PWs) bands (ev): 3.8931 3.8931 8.3601 8.3601 8.4036 8.4036 8.8609 8.8609 8.9848 8.9848 9.3150 9.3150 9.3457 9.3457 10.5850 10.5850 10.5995 10.5995 10.7215 10.7215 11.2903 11.2903 11.3667 11.3667 11.3949 11.3949 11.5575 11.5575 11.5647 11.5647 12.0809 12.0809 12.3485 12.3485 12.4252 12.4252 12.4408 12.4408 13.1479 13.1479 16.3641 16.3641 k = 0.4355 0.5000 0.4355 ( 1484 PWs) bands (ev): 3.8837 3.8837 8.2811 8.2811 8.3384 8.3384 8.8788 8.8788 8.9831 8.9831 9.3617 9.3617 9.3951 9.3951 10.5846 10.5846 10.6030 10.6030 10.7256 10.7256 11.2671 11.2671 11.3725 11.3725 11.4047 11.4047 11.5640 11.5640 11.5710 11.5710 12.0708 12.0708 12.3518 12.3518 12.4306 12.4306 12.4495 12.4495 13.1832 13.1832 16.3702 16.3702 k = 0.4274 0.5000 0.4274 ( 1480 PWs) bands (ev): 3.8727 3.8727 8.2009 8.2009 8.2750 8.2750 8.8988 8.8988 8.9811 8.9811 9.4050 9.4050 9.4426 9.4426 10.5839 10.5839 10.6063 10.6063 10.7306 10.7306 11.2388 11.2388 11.3791 11.3791 11.4135 11.4135 11.5723 11.5723 11.5779 11.5779 12.0625 12.0625 12.3552 12.3552 12.4390 12.4390 12.4602 12.4602 13.2223 13.2223 16.3762 16.3762 k = 0.4194 0.5000 0.4194 ( 1488 PWs) bands (ev): 3.8602 3.8602 8.1195 8.1195 8.2141 8.2141 8.9210 8.9210 8.9791 8.9791 9.4449 9.4449 9.4882 9.4882 10.5828 10.5828 10.6092 10.6092 10.7366 10.7366 11.2053 11.2053 11.3860 11.3860 11.4207 11.4207 11.5817 11.5817 11.5857 11.5857 12.0559 12.0559 12.3581 12.3581 12.4512 12.4512 12.4731 12.4731 13.2648 13.2648 16.3824 16.3824 k = 0.4113 0.5000 0.4113 ( 1484 PWs) bands (ev): 3.8460 3.8460 8.0374 8.0374 8.1561 8.1561 8.9451 8.9451 8.9772 8.9772 9.4814 9.4814 9.5322 9.5322 10.5817 10.5817 10.6117 10.6117 10.7441 10.7441 11.1669 11.1669 11.3938 11.3938 11.4264 11.4264 11.5907 11.5907 11.5960 11.5960 12.0503 12.0503 12.3605 12.3605 12.4685 12.4685 12.4885 12.4885 13.3103 13.3103 16.3890 16.3890 k = 0.4032 0.5000 0.4032 ( 1484 PWs) bands (ev): 3.8299 3.8299 7.9545 7.9545 8.1012 8.1012 8.9685 8.9685 8.9783 8.9783 9.5143 9.5143 9.5745 9.5745 10.5801 10.5801 10.6134 10.6134 10.7529 10.7529 11.1242 11.1242 11.4021 11.4021 11.4304 11.4304 11.5987 11.5987 11.6088 11.6088 12.0451 12.0451 12.3619 12.3619 12.4919 12.4919 12.5065 12.5065 13.3583 13.3583 16.3960 16.3960 k = 0.3952 0.5000 0.3952 ( 1488 PWs) bands (ev): 3.8121 3.8121 7.8712 7.8712 8.0500 8.0500 8.9713 8.9713 9.0019 9.0019 9.5437 9.5437 9.6152 9.6152 10.5782 10.5782 10.6142 10.6142 10.7631 10.7631 11.0778 11.0778 11.4108 11.4108 11.4328 11.4328 11.6064 11.6064 11.6228 11.6228 12.0394 12.0394 12.3624 12.3624 12.5215 12.5215 12.5282 12.5282 13.4082 13.4082 16.4036 16.4036 k = 0.3871 0.5000 0.3871 ( 1488 PWs) bands (ev): 3.7923 3.7923 7.7875 7.7875 8.0027 8.0027 8.9697 8.9697 9.0321 9.0321 9.5697 9.5697 9.6545 9.6545 10.5758 10.5758 10.6141 10.6141 10.7750 10.7750 11.0285 11.0285 11.4200 11.4200 11.4341 11.4341 11.6137 11.6137 11.6377 11.6377 12.0325 12.0325 12.3623 12.3623 12.5495 12.5495 12.5615 12.5615 13.4594 13.4594 16.4117 16.4117 k = 0.3790 0.5000 0.3790 ( 1488 PWs) bands (ev): 3.7705 3.7705 7.7035 7.7035 7.9596 7.9596 8.9679 8.9679 9.0645 9.0645 9.5923 9.5923 9.6925 9.6925 10.5731 10.5731 10.6129 10.6129 10.7882 10.7882 10.9772 10.9772 11.4286 11.4286 11.4354 11.4354 11.6207 11.6207 11.6529 11.6529 12.0239 12.0239 12.3615 12.3615 12.5764 12.5764 12.6063 12.6063 13.5113 13.5113 16.4205 16.4205 k = 0.3710 0.5000 0.3710 ( 1488 PWs) bands (ev): 3.7468 3.7468 7.6195 7.6195 7.9209 7.9209 8.9662 8.9662 9.0987 9.0987 9.6118 9.6118 9.7294 9.7294 10.5699 10.5699 10.6106 10.6106 10.8026 10.8026 10.9251 10.9251 11.4311 11.4311 11.4423 11.4423 11.6271 11.6271 11.6682 11.6682 12.0133 12.0133 12.3602 12.3602 12.6061 12.6061 12.6586 12.6586 13.5633 13.5633 16.4301 16.4301 k = 0.3629 0.5000 0.3629 ( 1488 PWs) bands (ev): 3.7210 3.7210 7.5354 7.5354 7.8869 7.8869 8.9647 8.9647 9.1346 9.1346 9.6282 9.6282 9.7653 9.7653 10.5662 10.5662 10.6070 10.6070 10.8161 10.8161 10.8747 10.8747 11.4296 11.4296 11.4528 11.4528 11.6330 11.6330 11.6831 11.6831 12.0007 12.0007 12.3584 12.3584 12.6390 12.6390 12.7179 12.7179 13.6150 13.6150 16.4403 16.4403 k = 0.3548 0.5000 0.3548 ( 1492 PWs) bands (ev): 3.6931 3.6931 7.4515 7.4515 7.8577 7.8577 8.9635 8.9635 9.1720 9.1720 9.6416 9.6416 9.8003 9.8003 10.5620 10.5620 10.6020 10.6020 10.8063 10.8063 10.8493 10.8493 11.4271 11.4271 11.4641 11.4641 11.6380 11.6380 11.6976 11.6976 11.9861 11.9861 12.3563 12.3563 12.6752 12.6752 12.7836 12.7836 13.6657 13.6657 16.4514 16.4514 k = 0.3468 0.5000 0.3468 ( 1488 PWs) bands (ev): 3.6633 3.6633 7.3678 7.3678 7.8334 7.8334 8.9627 8.9627 9.2112 9.2112 9.6522 9.6522 9.8346 9.8346 10.5572 10.5572 10.5950 10.5950 10.7606 10.7606 10.8629 10.8629 11.4239 11.4239 11.4759 11.4759 11.6423 11.6423 11.7116 11.7116 11.9696 11.9696 12.3540 12.3540 12.7148 12.7148 12.8553 12.8553 13.7153 13.7153 16.4633 16.4633 k = 0.3387 0.5000 0.3387 ( 1490 PWs) bands (ev): 3.6315 3.6315 7.2845 7.2845 7.8141 7.8141 8.9621 8.9621 9.2516 9.2516 9.6600 9.6600 9.8683 9.8683 10.5518 10.5518 10.5848 10.5848 10.7132 10.7132 10.8827 10.8827 11.4200 11.4200 11.4882 11.4882 11.6456 11.6456 11.7248 11.7248 11.9514 11.9514 12.3514 12.3514 12.7577 12.7577 12.9325 12.9325 13.7632 13.7632 16.4762 16.4762 k = 0.3306 0.5000 0.3306 ( 1490 PWs) bands (ev): 3.5977 3.5977 7.2017 7.2017 7.7999 7.7999 8.9620 8.9620 9.2933 9.2933 9.6652 9.6652 9.9015 9.9015 10.5459 10.5459 10.5688 10.5688 10.6714 10.6714 10.9046 10.9046 11.4156 11.4156 11.5009 11.5009 11.6480 11.6480 11.7375 11.7375 11.9317 11.9317 12.3486 12.3486 12.8040 12.8040 13.0148 13.0148 13.8094 13.8094 16.4899 16.4899 k = 0.3226 0.5000 0.3226 ( 1492 PWs) bands (ev): 3.5622 3.5622 7.1194 7.1194 7.7907 7.7907 8.9622 8.9622 9.3361 9.3361 9.6679 9.6679 9.9344 9.9344 10.5390 10.5390 10.5432 10.5432 10.6401 10.6401 10.9279 10.9279 11.4108 11.4108 11.5138 11.5138 11.6494 11.6494 11.7493 11.7493 11.9107 11.9107 12.3456 12.3456 12.8535 12.8535 13.1017 13.1017 13.8535 13.8535 16.5047 16.5047 k = 0.3145 0.5000 0.3145 ( 1492 PWs) bands (ev): 3.5249 3.5249 7.0378 7.0378 7.7865 7.7865 8.9629 8.9629 9.3800 9.3800 9.6682 9.6682 9.9669 9.9669 10.5071 10.5071 10.5321 10.5321 10.6202 10.6202 10.9525 10.9525 11.4056 11.4056 11.5271 11.5271 11.6498 11.6498 11.7603 11.7603 11.8886 11.8886 12.3425 12.3425 12.9064 12.9064 13.1930 13.1930 13.8957 13.8957 16.5206 16.5206 k = 0.3065 0.5000 0.3065 ( 1484 PWs) bands (ev): 3.4861 3.4861 6.9570 6.9570 7.7872 7.7872 8.9640 8.9640 9.4247 9.4247 9.6662 9.6662 9.9991 9.9991 10.4658 10.4658 10.5242 10.5242 10.6074 10.6074 10.9783 10.9783 11.4002 11.4002 11.5405 11.5405 11.6495 11.6495 11.7707 11.7707 11.8659 11.8659 12.3394 12.3394 12.9626 12.9626 13.2883 13.2883 13.9359 13.9359 16.5375 16.5375 k = 0.2984 0.5000 0.2984 ( 1480 PWs) bands (ev): 3.4458 3.4458 6.8771 6.8771 7.7928 7.7928 8.9657 8.9657 9.4700 9.4700 9.6621 9.6621 10.0310 10.0310 10.4230 10.4230 10.5158 10.5158 10.5982 10.5982 11.0053 11.0053 11.3944 11.3944 11.5539 11.5539 11.6481 11.6481 11.7799 11.7799 11.8425 11.8425 12.3363 12.3363 13.0219 13.0219 13.3874 13.3874 13.9741 13.9741 16.5557 16.5557 k = 0.2903 0.5000 0.2903 ( 1484 PWs) bands (ev): 3.4042 3.4042 6.7982 6.7982 7.8031 7.8031 8.9677 8.9677 9.5157 9.5157 9.6559 9.6559 10.0627 10.0627 10.3806 10.3806 10.5066 10.5066 10.5907 10.5907 11.0330 11.0330 11.3882 11.3882 11.5669 11.5669 11.6458 11.6458 11.7872 11.7872 11.8196 11.8196 12.3332 12.3332 13.0843 13.0843 13.4898 13.4898 14.0105 14.0105 16.5751 16.5751 k = 0.2823 0.5000 0.2823 ( 1484 PWs) bands (ev): 3.3615 3.3615 6.7203 6.7203 7.8179 7.8179 8.9703 8.9703 9.5611 9.5611 9.6484 9.6484 10.0943 10.0943 10.3398 10.3398 10.4968 10.4968 10.5844 10.5844 11.0617 11.0617 11.3818 11.3818 11.5793 11.5793 11.6429 11.6429 11.7862 11.7862 11.8043 11.8043 12.3301 12.3301 13.1496 13.1496 13.5956 13.5956 14.0453 14.0453 16.5957 16.5957 k = 0.2742 0.5000 0.2742 ( 1480 PWs) bands (ev): 3.3179 3.3179 6.6436 6.6436 7.8371 7.8371 8.9734 8.9734 9.6026 9.6026 9.6432 9.6432 10.1258 10.1258 10.3011 10.3011 10.4866 10.4866 10.5787 10.5787 11.0910 11.0910 11.3753 11.3753 11.5901 11.5901 11.6400 11.6400 11.7671 11.7671 11.8069 11.8069 12.3272 12.3272 13.2178 13.2178 13.7043 13.7043 14.0786 14.0786 16.6178 16.6178 k = 0.2661 0.5000 0.2661 ( 1480 PWs) bands (ev): 3.2734 3.2734 6.5682 6.5682 7.8605 7.8605 8.9770 8.9770 9.6150 9.6150 9.6653 9.6653 10.1565 10.1565 10.2651 10.2651 10.4760 10.4760 10.5737 10.5737 11.1210 11.1210 11.3685 11.3685 11.5970 11.5970 11.6382 11.6382 11.7458 11.7458 11.8124 11.8124 12.3245 12.3245 13.2887 13.2887 13.8160 13.8160 14.1108 14.1108 16.6413 16.6413 k = 0.2581 0.5000 0.2581 ( 1484 PWs) bands (ev): 3.2284 3.2284 6.4941 6.4941 7.8877 7.8877 8.9810 8.9810 9.6039 9.6039 9.7089 9.7089 10.1847 10.1847 10.2337 10.2337 10.4650 10.4650 10.5690 10.5690 11.1513 11.1513 11.3615 11.3615 11.5975 11.5975 11.6385 11.6385 11.7274 11.7274 11.8175 11.8175 12.3220 12.3220 13.3623 13.3623 13.9302 13.9302 14.1422 14.1422 16.6663 16.6663 k = 0.2500 0.5000 0.2500 ( 1488 PWs) bands (ev): 3.1830 3.1830 6.4215 6.4215 7.9188 7.9188 8.9855 8.9855 9.5886 9.5886 9.7551 9.7551 10.1889 10.1889 10.2283 10.2283 10.4539 10.4539 10.5648 10.5648 11.1816 11.1816 11.3545 11.3545 11.5905 11.5905 11.6389 11.6389 11.7154 11.7154 11.8220 11.8220 12.3198 12.3198 13.4384 13.4384 14.0465 14.0465 14.1734 14.1734 16.6928 16.6928 k = 0.2419 0.5000 0.2419 ( 1488 PWs) bands (ev): 3.1373 3.1373 6.3503 6.3503 7.9533 7.9533 8.9906 8.9906 9.5713 9.5713 9.8016 9.8016 10.1639 10.1639 10.2544 10.2544 10.4429 10.4429 10.5611 10.5611 11.2120 11.2120 11.3476 11.3476 11.5773 11.5773 11.6353 11.6353 11.7129 11.7129 11.8257 11.8257 12.3180 12.3180 13.5169 13.5169 14.1618 14.1618 14.2077 14.2077 16.7210 16.7210 k = 0.2339 0.5000 0.2339 ( 1488 PWs) bands (ev): 3.0916 3.0916 6.2808 6.2808 7.9911 7.9911 8.9960 8.9960 9.5525 9.5525 9.8480 9.8480 10.1376 10.1376 10.2831 10.2831 10.4326 10.4326 10.5578 10.5578 11.2418 11.2418 11.3409 11.3409 11.5591 11.5591 11.6276 11.6276 11.7190 11.7190 11.8287 11.8287 12.3167 12.3167 13.5978 13.5978 14.2272 14.2272 14.2940 14.2940 16.7509 16.7509 k = 0.2258 0.5000 0.2258 ( 1488 PWs) bands (ev): 3.0459 3.0459 6.2129 6.2129 8.0319 8.0319 9.0019 9.0019 9.5325 9.5325 9.8940 9.8940 10.1126 10.1126 10.3104 10.3104 10.4237 10.4237 10.5548 10.5548 11.2701 11.2701 11.3357 11.3357 11.5370 11.5370 11.6182 11.6182 11.7302 11.7302 11.8311 11.8311 12.3162 12.3162 13.6808 13.6808 14.2596 14.2596 14.4159 14.4159 16.7826 16.7826 k = 0.2177 0.5000 0.2177 ( 1484 PWs) bands (ev): 3.0006 3.0006 6.1468 6.1468 8.0755 8.0755 9.0083 9.0083 9.5116 9.5116 9.9394 9.9394 10.0903 10.0903 10.3342 10.3342 10.4189 10.4189 10.5524 10.5524 11.2928 11.2928 11.3348 11.3348 11.5122 11.5122 11.6085 11.6085 11.7439 11.7439 11.8328 11.8328 12.3162 12.3162 13.7659 13.7659 14.2906 14.2906 14.5417 14.5417 16.8162 16.8162 k = 0.2097 0.5000 0.2097 ( 1484 PWs) bands (ev): 2.9557 2.9557 6.0825 6.0825 8.1215 8.1215 9.0149 9.0149 9.4900 9.4900 9.9841 9.9841 10.0696 10.0696 10.3485 10.3485 10.4233 10.4233 10.5505 10.5505 11.3012 11.3012 11.3472 11.3472 11.4856 11.4856 11.5989 11.5989 11.7587 11.7587 11.8343 11.8343 12.3169 12.3169 13.8529 13.8529 14.3219 14.3219 14.6700 14.6700 16.8516 16.8516 k = 0.2016 0.5000 0.2016 ( 1484 PWs) bands (ev): 2.9114 2.9114 6.0200 6.0200 8.1696 8.1696 9.0220 9.0220 9.4679 9.4679 10.0273 10.0273 10.0512 10.0512 10.3504 10.3504 10.4400 10.4400 10.5490 10.5490 11.2980 11.2980 11.3699 11.3699 11.4582 11.4582 11.5894 11.5894 11.7732 11.7732 11.8362 11.8362 12.3186 12.3186 13.9418 13.9418 14.3542 14.3542 14.8003 14.8003 16.8890 16.8890 k = 0.1935 0.5000 0.1935 ( 1480 PWs) bands (ev): 2.8679 2.8679 5.9596 5.9596 8.2197 8.2197 9.0294 9.0294 9.4456 9.4456 10.0324 10.0324 10.0717 10.0717 10.3444 10.3444 10.4647 10.4647 10.5481 10.5481 11.2911 11.2911 11.3945 11.3945 11.4305 11.4305 11.5800 11.5800 11.7858 11.7858 11.8399 11.8399 12.3214 12.3214 14.0323 14.0323 14.3876 14.3876 14.9326 14.9326 16.9284 16.9284 k = 0.1855 0.5000 0.1855 ( 1472 PWs) bands (ev): 2.8252 2.8252 5.9011 5.9011 8.2714 8.2714 9.0372 9.0372 9.4236 9.4236 10.0168 10.0168 10.1131 10.1131 10.3353 10.3353 10.4926 10.4926 10.5478 10.5478 11.2828 11.2828 11.4018 11.4018 11.4198 11.4198 11.5706 11.5706 11.7940 11.7940 11.8475 11.8475 12.3254 12.3254 14.1244 14.1244 14.4226 14.4226 15.0668 15.0668 16.9698 16.9698 k = 0.1774 0.5000 0.1774 ( 1472 PWs) bands (ev): 2.7836 2.7836 5.8447 5.8447 8.3244 8.3244 9.0451 9.0451 9.4014 9.4014 10.0024 10.0024 10.1533 10.1533 10.3249 10.3249 10.5214 10.5214 10.5482 10.5482 11.2732 11.2732 11.3752 11.3752 11.4419 11.4419 11.5613 11.5613 11.7968 11.7968 11.8597 11.8597 12.3306 12.3306 14.2179 14.2179 14.4593 14.4593 15.2028 15.2028 17.0132 17.0132 k = 0.1694 0.5000 0.1694 ( 1472 PWs) bands (ev): 2.7430 2.7430 5.7904 5.7904 8.3784 8.3784 9.0532 9.0532 9.3796 9.3796 9.9891 9.9891 10.1916 10.1916 10.3146 10.3146 10.5456 10.5456 10.5543 10.5543 11.2623 11.2623 11.3496 11.3496 11.4626 11.4626 11.5520 11.5520 11.7951 11.7951 11.8754 11.8754 12.3373 12.3373 14.3126 14.3126 14.4981 14.4981 15.3404 15.3404 17.0587 17.0587 k = 0.1613 0.5000 0.1613 ( 1472 PWs) bands (ev): 2.7037 2.7037 5.7383 5.7383 8.4331 8.4331 9.0615 9.0615 9.3583 9.3583 9.9770 9.9770 10.2266 10.2266 10.3062 10.3062 10.5491 10.5491 10.5817 10.5817 11.2492 11.2492 11.3264 11.3264 11.4813 11.4813 11.5429 11.5429 11.7904 11.7904 11.8928 11.8928 12.3455 12.3455 14.4084 14.4084 14.5391 14.5391 15.4797 15.4797 17.1061 17.1061 k = 0.1532 0.5000 0.1532 ( 1472 PWs) bands (ev): 2.6657 2.6657 5.6884 5.6884 8.4882 8.4882 9.0698 9.0698 9.3376 9.3376 9.9658 9.9658 10.2528 10.2528 10.3051 10.3051 10.5513 10.5513 10.6107 10.6107 11.2330 11.2330 11.3069 11.3069 11.4978 11.4978 11.5341 11.5341 11.7836 11.7836 11.9110 11.9110 12.3553 12.3553 14.5050 14.5050 14.5828 14.5828 15.6204 15.6204 17.1556 17.1556 k = 0.1452 0.5000 0.1452 ( 1480 PWs) bands (ev): 2.6292 2.6292 5.6409 5.6409 8.5434 8.5434 9.0782 9.0782 9.3174 9.3174 9.9556 9.9556 10.2593 10.2593 10.3222 10.3222 10.5540 10.5540 10.6392 10.6392 11.2132 11.2132 11.2916 11.2916 11.5110 11.5110 11.5264 11.5264 11.7750 11.7750 11.9290 11.9290 12.3665 12.3665 14.6021 14.6021 14.6294 14.6294 15.7626 15.7626 17.2068 17.2068 k = 0.1371 0.5000 0.1371 ( 1476 PWs) bands (ev): 2.5941 2.5941 5.5956 5.5956 8.5984 8.5984 9.0866 9.0866 9.2982 9.2982 9.9463 9.9463 10.2533 10.2533 10.3508 10.3508 10.5576 10.5576 10.6672 10.6672 11.1905 11.1905 11.2804 11.2804 11.5134 11.5134 11.5278 11.5278 11.7651 11.7651 11.9468 11.9468 12.3796 12.3796 14.6780 14.6780 14.7007 14.7007 15.9061 15.9061 17.2599 17.2599 k = 0.1290 0.5000 0.1290 ( 1476 PWs) bands (ev): 2.5607 2.5607 5.5527 5.5527 8.6528 8.6528 9.0950 9.0950 9.2798 9.2798 9.9378 9.9378 10.2440 10.2440 10.3814 10.3814 10.5619 10.5619 10.6943 10.6943 11.1660 11.1660 11.2723 11.2723 11.5061 11.5061 11.5372 11.5372 11.7537 11.7537 11.9637 11.9637 12.3940 12.3940 14.7308 14.7308 14.7984 14.7984 16.0507 16.0507 17.3144 17.3144 k = 0.1210 0.5000 0.1210 ( 1476 PWs) bands (ev): 2.5290 2.5290 5.5122 5.5122 8.7063 8.7063 9.1032 9.1032 9.2624 9.2624 9.9299 9.9299 10.2338 10.2338 10.4113 10.4113 10.5670 10.5670 10.7201 10.7201 11.1405 11.1405 11.2667 11.2667 11.4981 11.4981 11.5457 11.5457 11.7411 11.7411 11.9795 11.9795 12.4098 12.4098 14.7868 14.7868 14.8961 14.8961 16.1964 16.1964 17.3704 17.3704 k = 0.1129 0.5000 0.1129 ( 1474 PWs) bands (ev): 2.4990 2.4990 5.4741 5.4741 8.7584 8.7584 9.1112 9.1112 9.2460 9.2460 9.9231 9.9231 10.2236 10.2236 10.4398 10.4398 10.5729 10.5729 10.7447 10.7447 11.1150 11.1150 11.2633 11.2633 11.4903 11.4903 11.5526 11.5526 11.7273 11.7273 11.9942 11.9942 12.4266 12.4266 14.8464 14.8464 14.9934 14.9934 16.3429 16.3429 17.4274 17.4274 k = 0.1048 0.5000 0.1048 ( 1474 PWs) bands (ev): 2.4708 2.4708 5.4385 5.4385 8.8091 8.8091 9.1190 9.1190 9.2307 9.2307 9.9166 9.9166 10.2136 10.2136 10.4667 10.4667 10.5799 10.5799 10.7676 10.7676 11.0894 11.0894 11.2619 11.2619 11.4827 11.4827 11.5581 11.5581 11.7123 11.7123 12.0077 12.0077 12.4442 12.4442 14.9096 14.9096 15.0897 15.0897 16.4900 16.4900 17.4852 17.4852 k = 0.0968 0.5000 0.0968 ( 1474 PWs) bands (ev): 2.4445 2.4445 5.4055 5.4055 8.8578 8.8578 9.1264 9.1264 9.2166 9.2166 9.9107 9.9107 10.2040 10.2040 10.4915 10.4915 10.5880 10.5880 10.7886 10.7886 11.0643 11.0643 11.2626 11.2626 11.4756 11.4756 11.5622 11.5622 11.6962 11.6962 12.0199 12.0199 12.4622 12.4622 14.9767 14.9767 15.1846 15.1846 16.6374 16.6374 17.5433 17.5433 k = 0.0887 0.5000 0.0887 ( 1470 PWs) bands (ev): 2.4201 2.4201 5.3750 5.3750 8.9043 8.9043 9.1333 9.1333 9.2041 9.2041 9.9053 9.9053 10.1951 10.1951 10.5141 10.5141 10.5972 10.5972 10.8074 10.8074 11.0398 11.0398 11.2655 11.2655 11.4688 11.4688 11.5652 11.5652 11.6790 11.6790 12.0310 12.0310 12.4803 12.4803 15.0477 15.0477 15.2776 15.2776 16.7848 16.7848 17.6012 17.6012 k = 0.0806 0.5000 0.0806 ( 1470 PWs) bands (ev): 2.3977 2.3977 5.3470 5.3470 8.9481 8.9481 9.1395 9.1395 9.1927 9.1927 9.9005 9.9005 10.1866 10.1866 10.5343 10.5343 10.6076 10.6076 10.8239 10.8239 11.0164 11.0164 11.2707 11.2707 11.4625 11.4625 11.5672 11.5672 11.6609 11.6609 12.0408 12.0408 12.4982 12.4982 15.1226 15.1226 15.3680 15.3680 16.9316 16.9316 17.6584 17.6584 k = 0.0726 0.5000 0.0726 ( 1470 PWs) bands (ev): 2.3773 2.3773 5.3216 5.3216 8.9889 8.9889 9.1445 9.1445 9.1832 9.1832 9.8962 9.8962 10.1786 10.1786 10.5520 10.5520 10.6190 10.6190 10.8377 10.8377 10.9942 10.9942 11.2783 11.2783 11.4567 11.4567 11.5683 11.5683 11.6418 11.6418 12.0495 12.0495 12.5154 12.5154 15.2013 15.2013 15.4550 15.4550 17.0772 17.0772 17.6854 17.6854 k = 0.0645 0.5000 0.0645 ( 1466 PWs) bands (ev): 2.3590 2.3590 5.2989 5.2989 9.0262 9.0262 9.1477 9.1477 9.1763 9.1763 9.8924 9.8924 10.1713 10.1713 10.5676 10.5676 10.6313 10.6313 10.8487 10.8487 10.9738 10.9738 11.2882 11.2882 11.4517 11.4517 11.5687 11.5687 11.6221 11.6221 12.0572 12.0572 12.5317 12.5317 15.2838 15.2838 15.5379 15.5379 17.2205 17.2205 17.5153 17.5153 k = 0.0565 0.5000 0.0565 ( 1466 PWs) bands (ev): 2.3427 2.3427 5.2787 5.2787 9.0598 9.0598 9.1480 9.1480 9.1731 9.1731 9.8891 9.8891 10.1648 10.1648 10.5811 10.5811 10.6437 10.6437 10.8563 10.8563 10.9555 10.9555 11.3004 11.3004 11.4471 11.4471 11.5686 11.5686 11.6015 11.6015 12.0638 12.0638 12.5468 12.5468 15.3695 15.3695 15.6157 15.6157 17.3408 17.3408 17.3705 17.3705 k = 0.0484 0.5000 0.0484 ( 1478 PWs) bands (ev): 2.3285 2.3285 5.2612 5.2612 9.0888 9.0888 9.1454 9.1454 9.1731 9.1731 9.8862 9.8862 10.1586 10.1586 10.5928 10.5928 10.6558 10.6558 10.8602 10.8602 10.9403 10.9403 11.3146 11.3146 11.4431 11.4431 11.5679 11.5679 11.5805 11.5805 12.0695 12.0695 12.5603 12.5603 15.4579 15.4579 15.6874 15.6874 17.1913 17.1913 17.4972 17.4972 k = 0.0403 0.5000 0.0403 ( 1478 PWs) bands (ev): 2.3165 2.3165 5.2464 5.2464 9.1120 9.1120 9.1439 9.1439 9.1752 9.1752 9.8838 9.8838 10.1537 10.1537 10.6031 10.6031 10.6672 10.6672 10.8598 10.8598 10.9291 10.9291 11.3305 11.3305 11.4398 11.4398 11.5582 11.5582 11.5680 11.5680 12.0742 12.0742 12.5721 12.5721 15.5477 15.5477 15.7522 15.7522 17.0417 17.0417 17.6241 17.6241 k = 0.0323 0.5000 0.0323 ( 1476 PWs) bands (ev): 2.3067 2.3067 5.2343 5.2343 9.1242 9.1242 9.1490 9.1490 9.1778 9.1778 9.8819 9.8819 10.1496 10.1496 10.6120 10.6120 10.6775 10.6775 10.8557 10.8557 10.9223 10.9223 11.3479 11.3479 11.4374 11.4374 11.5367 11.5367 11.5670 11.5670 12.0781 12.0781 12.5820 12.5820 15.6365 15.6365 15.8095 15.8095 16.9018 16.9018 17.7393 17.7393 k = 0.0242 0.5000 0.0242 ( 1476 PWs) bands (ev): 2.2990 2.2990 5.2248 5.2248 9.1256 9.1256 9.1609 9.1609 9.1802 9.1802 9.8804 9.8804 10.1464 10.1464 10.6193 10.6193 10.6861 10.6861 10.8492 10.8492 10.9188 10.9188 11.3656 11.3656 11.4361 11.4361 11.5150 11.5150 11.5663 11.5663 12.0810 12.0810 12.5899 12.5899 15.7195 15.7195 15.8595 15.8595 16.7750 16.7750 17.8361 17.8361 k = 0.0161 0.5000 0.0161 ( 1464 PWs) bands (ev): 2.2935 2.2935 5.2181 5.2181 9.1244 9.1244 9.1712 9.1712 9.1825 9.1825 9.8794 9.8794 10.1443 10.1443 10.6248 10.6248 10.6929 10.6929 10.8430 10.8430 10.9173 10.9173 11.3825 11.3825 11.4368 11.4368 11.4941 11.4941 11.5658 11.5658 12.0837 12.0837 12.5956 12.5956 15.7879 15.7879 15.9039 15.9039 16.6676 16.6676 17.9061 17.9061 k = 0.0081 0.5000 0.0081 ( 1462 PWs) bands (ev): 2.2902 2.2902 5.2140 5.2140 9.1234 9.1234 9.1769 9.1769 9.1847 9.1847 9.8790 9.8790 10.1429 10.1429 10.6282 10.6282 10.6972 10.6972 10.8383 10.8383 10.9169 10.9169 11.3955 11.3955 11.4408 11.4408 11.4750 11.4750 11.5654 11.5654 12.0849 12.0849 12.5991 12.5991 15.8310 15.8310 15.9408 15.9408 16.5912 16.5912 17.9444 17.9444 k = 0.0000 0.5000-0.0000 ( 1462 PWs) bands (ev): 2.2891 2.2891 5.2127 5.2127 9.1230 9.1230 9.1785 9.1785 9.1858 9.1858 9.8788 9.8788 10.1424 10.1424 10.6293 10.6293 10.6987 10.6987 10.8366 10.8366 10.9167 10.9167 11.4005 11.4005 11.4461 11.4461 11.4640 11.4640 11.5653 11.5653 12.0854 12.0854 12.6002 12.6002 15.8450 15.8450 15.9567 15.9567 16.5625 16.5625 17.9559 17.9559 k = 0.5000 0.5000-0.0000 ( 1492 PWs) bands (ev): 3.5299 3.5299 6.7596 6.7596 6.7896 6.7896 8.9895 8.9895 9.2087 9.2087 10.0771 10.0771 10.1872 10.1872 10.1902 10.1902 10.7160 10.7160 10.7946 10.7946 11.2197 11.2197 11.2891 11.2891 11.3238 11.3238 11.4356 11.4356 11.6254 11.6254 11.7280 11.7280 11.7530 11.7530 13.1224 13.1224 13.1394 13.1394 17.7867 17.7867 18.5090 18.5090 k = 0.5000 0.5000 0.0114 ( 1492 PWs) bands (ev): 3.5303 3.5303 6.7610 6.7610 6.7909 6.7909 8.9895 8.9895 9.2080 9.2080 10.0786 10.0786 10.1867 10.1867 10.1896 10.1896 10.7153 10.7153 10.7939 10.7939 11.2177 11.2177 11.2906 11.2906 11.3246 11.3246 11.4363 11.4363 11.6253 11.6253 11.7270 11.7270 11.7555 11.7555 13.1217 13.1217 13.1386 13.1386 17.7279 17.7279 18.5713 18.5713 k = 0.5000 0.5000 0.0227 ( 1492 PWs) bands (ev): 3.5317 3.5317 6.7650 6.7650 6.7950 6.7950 8.9895 8.9895 9.2057 9.2057 10.0830 10.0830 10.1853 10.1853 10.1879 10.1879 10.7135 10.7135 10.7920 10.7920 11.2120 11.2120 11.2948 11.2948 11.3273 11.3273 11.4385 11.4385 11.6250 11.6250 11.7250 11.7250 11.7621 11.7621 13.1194 13.1194 13.1363 13.1363 17.5893 17.5893 18.7206 18.7206 k = 0.5000 0.5000 0.0341 ( 1488 PWs) bands (ev): 3.5339 3.5339 6.7718 6.7718 6.8017 6.8017 8.9895 8.9895 9.2020 9.2020 10.0903 10.0903 10.1831 10.1831 10.1851 10.1851 10.7105 10.7105 10.7888 10.7888 11.2031 11.2031 11.3011 11.3011 11.3316 11.3316 11.4422 11.4422 11.6246 11.6246 11.7227 11.7227 11.7718 11.7718 13.1158 13.1158 13.1325 13.1325 17.4177 17.4177 18.9098 18.9098 k = 0.5000 0.5000 0.0455 ( 1496 PWs) bands (ev): 3.5370 3.5370 6.7812 6.7812 6.8112 6.8112 8.9892 8.9892 9.1967 9.1967 10.1000 10.1000 10.1797 10.1797 10.1808 10.1808 10.7064 10.7064 10.7844 10.7844 11.1917 11.1917 11.3092 11.3092 11.3375 11.3375 11.4471 11.4471 11.6239 11.6239 11.7206 11.7206 11.7839 11.7839 13.1106 13.1106 13.1270 13.1270 17.2341 17.2341 19.1180 19.1180 k = 0.5000 0.5000 0.0568 ( 1492 PWs) bands (ev): 3.5410 3.5410 6.7934 6.7934 6.8233 6.8233 8.9892 8.9892 9.1902 9.1902 10.1126 10.1126 10.1757 10.1757 10.1759 10.1759 10.7015 10.7015 10.7793 10.7793 11.1783 11.1783 11.3186 11.3186 11.3448 11.3448 11.4534 11.4534 11.6230 11.6230 11.7188 11.7188 11.7982 11.7982 13.1039 13.1039 13.1199 13.1199 17.0465 17.0465 19.3367 19.3367 k = 0.5000 0.5000 0.0682 ( 1492 PWs) bands (ev): 3.5459 3.5459 6.8082 6.8082 6.8380 6.8380 8.9892 8.9892 9.1824 9.1824 10.1267 10.1267 10.1692 10.1692 10.1720 10.1720 10.6959 10.6959 10.7733 10.7733 11.1631 11.1631 11.3291 11.3291 11.3535 11.3535 11.4609 11.4609 11.6220 11.6220 11.7171 11.7171 11.8142 11.8142 13.0958 13.0958 13.1113 13.1113 16.8587 16.8587 19.5609 19.5609 k = 0.5000 0.5000 0.0795 ( 1488 PWs) bands (ev): 3.5516 3.5516 6.8256 6.8256 6.8555 6.8555 8.9892 8.9892 9.1735 9.1735 10.1397 10.1397 10.1616 10.1616 10.1708 10.1708 10.6897 10.6897 10.7669 10.7669 11.1466 11.1466 11.3406 11.3406 11.3633 11.3633 11.4697 11.4697 11.6209 11.6209 11.7156 11.7156 11.8317 11.8317 13.0862 13.0862 13.1011 13.1011 16.6723 16.6723 19.7677 19.7677 k = 0.5000 0.5000 0.0909 ( 1488 PWs) bands (ev): 3.5581 3.5581 6.8457 6.8457 6.8756 6.8756 8.9891 8.9891 9.1635 9.1635 10.1436 10.1436 10.1527 10.1527 10.1801 10.1801 10.6831 10.6831 10.7599 10.7599 11.1289 11.1289 11.3529 11.3529 11.3741 11.3741 11.4797 11.4797 11.6196 11.6196 11.7141 11.7141 11.8505 11.8505 13.0750 13.0750 13.0893 13.0893 16.4882 16.4882 19.6868 19.6868 k = 0.5000 0.5000 0.1023 ( 1488 PWs) bands (ev): 3.5653 3.5653 6.8685 6.8685 6.8982 6.8982 8.9890 8.9890 9.1526 9.1526 10.1383 10.1383 10.1427 10.1427 10.1998 10.1998 10.6762 10.6762 10.7527 10.7527 11.1103 11.1103 11.3657 11.3657 11.3857 11.3857 11.4907 11.4907 11.6181 11.6181 11.7126 11.7126 11.8704 11.8704 13.0622 13.0622 13.0758 13.0758 16.3071 16.3071 19.5159 19.5172 k = 0.5000 0.5000 0.1136 ( 1496 PWs) bands (ev): 3.5734 3.5734 6.8938 6.8938 6.9235 6.9235 8.9889 8.9889 9.1408 9.1408 10.1292 10.1292 10.1313 10.1313 10.2243 10.2243 10.6692 10.6692 10.7453 10.7453 11.0910 11.0910 11.3789 11.3789 11.3979 11.3979 11.5024 11.5024 11.6165 11.6165 11.7110 11.7110 11.8910 11.8910 13.0479 13.0479 13.0606 13.0606 16.1294 16.1294 19.3422 19.3424 k = 0.5000 0.5000 0.1250 ( 1484 PWs) bands (ev): 3.5822 3.5822 6.9217 6.9217 6.9514 6.9514 8.9890 8.9890 9.1286 9.1286 10.1184 10.1184 10.1190 10.1190 10.2518 10.2518 10.6626 10.6626 10.7382 10.7382 11.0713 11.0713 11.3924 11.3924 11.4106 11.4106 11.5154 11.5154 11.6150 11.6150 11.7093 11.7093 11.9124 11.9124 13.0322 13.0322 13.0440 13.0440 15.9554 15.9554 19.1700 19.1706 k = 0.5000 0.5000 0.1364 ( 1484 PWs) bands (ev): 3.5917 3.5917 6.9522 6.9522 6.9818 6.9818 8.9888 8.9888 9.1157 9.1157 10.1053 10.1053 10.1061 10.1061 10.2816 10.2816 10.6561 10.6561 10.7311 10.7311 11.0513 11.0513 11.4059 11.4059 11.4235 11.4235 11.5291 11.5291 11.6133 11.6133 11.7075 11.7075 11.9342 11.9342 13.0149 13.0149 13.0256 13.0256 15.7853 15.7853 18.9984 18.9984 k = 0.5000 0.5000 0.1477 ( 1484 PWs) bands (ev): 3.6018 3.6018 6.9852 6.9852 7.0147 7.0147 8.9887 8.9887 9.1023 9.1023 10.0904 10.0904 10.0923 10.0923 10.3134 10.3134 10.6499 10.6499 10.7241 10.7241 11.0310 11.0310 11.4192 11.4192 11.4365 11.4365 11.5434 11.5434 11.6116 11.6116 11.7055 11.7055 11.9562 11.9562 12.9961 12.9961 13.0057 13.0057 15.6193 15.6193 18.8316 18.8316 k = 0.5000 0.5000 0.1591 ( 1492 PWs) bands (ev): 3.6125 3.6125 7.0207 7.0207 7.0502 7.0502 8.9884 8.9884 9.0884 9.0884 10.0741 10.0741 10.0770 10.0770 10.3468 10.3468 10.6442 10.6442 10.7174 10.7174 11.0108 11.0108 11.4323 11.4323 11.4494 11.4494 11.5582 11.5582 11.6100 11.6100 11.7033 11.7033 11.9784 11.9784 12.9758 12.9758 12.9841 12.9841 15.4574 15.4574 18.6688 18.6688 k = 0.5000 0.5000 0.1705 ( 1492 PWs) bands (ev): 3.6239 3.6239 7.0586 7.0586 7.0880 7.0880 8.9883 8.9883 9.0743 9.0743 10.0569 10.0569 10.0607 10.0607 10.3820 10.3820 10.6392 10.6392 10.7110 10.7110 10.9906 10.9906 11.4450 11.4450 11.4620 11.4620 11.5730 11.5730 11.6090 11.6090 11.7009 11.7009 12.0007 12.0007 12.9542 12.9542 12.9611 12.9611 15.3000 15.3000 18.5104 18.5104 k = 0.5000 0.5000 0.1818 ( 1476 PWs) bands (ev): 3.6357 3.6357 7.0990 7.0990 7.1283 7.1283 8.9884 8.9884 9.0601 9.0601 10.0385 10.0385 10.0432 10.0432 10.4186 10.4186 10.6353 10.6353 10.7052 10.7052 10.9709 10.9709 11.4572 11.4572 11.4743 11.4743 11.5864 11.5864 11.6104 11.6104 11.6984 11.6984 12.0232 12.0232 12.9312 12.9312 12.9366 12.9366 15.1471 15.1471 18.3567 18.3567 k = 0.5000 0.5000 0.1932 ( 1476 PWs) bands (ev): 3.6481 3.6481 7.1417 7.1417 7.1709 7.1709 8.9884 8.9884 9.0457 9.0457 10.0188 10.0188 10.0244 10.0244 10.4560 10.4560 10.6323 10.6323 10.6995 10.6995 10.9512 10.9512 11.4686 11.4686 11.4858 11.4858 11.5939 11.5939 11.6180 11.6180 11.6955 11.6955 12.0452 12.0452 12.9069 12.9069 12.9107 12.9107 14.9987 14.9987 18.2081 18.2081 k = 0.5000 0.5000 0.2045 ( 1476 PWs) bands (ev): 3.6608 3.6608 7.1868 7.1868 7.2159 7.2159 8.9883 8.9883 9.0313 9.0313 9.9980 9.9980 10.0044 10.0044 10.4933 10.4933 10.6311 10.6311 10.6941 10.6941 10.9320 10.9320 11.4790 11.4790 11.4964 11.4964 11.5949 11.5949 11.6326 11.6326 11.6923 11.6923 12.0671 12.0671 12.8814 12.8814 12.8834 12.8834 14.8552 14.8552 18.0647 18.0647 k = 0.5000 0.5000 0.2159 ( 1468 PWs) bands (ev): 3.6740 3.6740 7.2341 7.2341 7.2631 7.2631 8.9883 8.9883 9.0169 9.0169 9.9761 9.9761 9.9831 9.9831 10.5290 10.5290 10.6335 10.6335 10.6890 10.6890 10.9133 10.9133 11.4886 11.4886 11.5061 11.5061 11.5937 11.5937 11.6500 11.6500 11.6888 11.6888 12.0886 12.0886 12.8550 12.8550 12.8552 12.8552 14.7164 14.7164 17.9268 17.9269 k = 0.5000 0.5000 0.2273 ( 1468 PWs) bands (ev): 3.6875 3.6875 7.2837 7.2837 7.3125 7.3125 8.9883 8.9883 9.0026 9.0026 9.9529 9.9529 9.9607 9.9607 10.5588 10.5588 10.6432 10.6432 10.6841 10.6841 10.8951 10.8951 11.4969 11.4969 11.5144 11.5144 11.5917 11.5917 11.6687 11.6687 11.6849 11.6849 12.1097 12.1097 12.8258 12.8258 12.8276 12.8276 14.5827 14.5827 17.7945 17.7945 k = 0.5000 0.5000 0.2386 ( 1468 PWs) bands (ev): 3.7011 3.7011 7.3354 7.3354 7.3641 7.3641 8.9884 8.9884 8.9884 8.9884 9.9285 9.9285 9.9370 9.9370 10.5773 10.5773 10.6654 10.6654 10.6794 10.6794 10.8775 10.8775 11.5038 11.5038 11.5214 11.5214 11.5893 11.5893 11.6806 11.6806 11.6882 11.6882 12.1303 12.1303 12.7956 12.7956 12.7996 12.7996 14.4540 14.4540 17.6680 17.6680 k = 0.5000 0.5000 0.2500 ( 1460 PWs) bands (ev): 3.7150 3.7150 7.3892 7.3892 7.4177 7.4177 8.9746 8.9746 8.9885 8.9885 9.9029 9.9029 9.9120 9.9120 10.5855 10.5855 10.6750 10.6750 10.6992 10.6992 10.8608 10.8608 11.5093 11.5093 11.5269 11.5269 11.5869 11.5869 11.6760 11.6760 11.7085 11.7085 12.1504 12.1504 12.7648 12.7648 12.7710 12.7710 14.3305 14.3305 17.5474 17.5474 k = 0.5000 0.5000 0.2614 ( 1464 PWs) bands (ev): 3.7290 3.7290 7.4450 7.4450 7.4733 7.4733 8.9608 8.9608 8.9886 8.9886 9.8760 9.8760 9.8858 9.8858 10.5884 10.5884 10.6704 10.6704 10.7390 10.7390 10.8446 10.8446 11.5132 11.5132 11.5308 11.5308 11.5840 11.5840 11.6709 11.6709 11.7293 11.7293 12.1699 12.1699 12.7336 12.7336 12.7422 12.7422 14.2123 14.2123 17.4327 17.4327 k = 0.5000 0.5000 0.2727 ( 1480 PWs) bands (ev): 3.7430 3.7430 7.5027 7.5027 7.5308 7.5308 8.9473 8.9473 8.9886 8.9886 9.8478 9.8478 9.8582 9.8582 10.5890 10.5890 10.6659 10.6659 10.7815 10.7815 10.8292 10.8292 11.5151 11.5151 11.5328 11.5328 11.5807 11.5807 11.6651 11.6651 11.7509 11.7509 12.1885 12.1885 12.7022 12.7022 12.7133 12.7133 14.0995 14.0995 17.3241 17.3241 k = 0.5000 0.5000 0.2841 ( 1480 PWs) bands (ev): 3.7570 3.7570 7.5623 7.5623 7.5901 7.5901 8.9344 8.9344 8.9887 8.9887 9.8182 9.8182 9.8293 9.8293 10.5890 10.5890 10.6615 10.6615 10.8149 10.8149 10.8253 10.8253 11.5154 11.5154 11.5334 11.5334 11.5772 11.5772 11.6592 11.6592 11.7730 11.7730 12.2066 12.2066 12.6713 12.6713 12.6848 12.6848 13.9922 13.9922 17.2215 17.2215 k = 0.5000 0.5000 0.2955 ( 1480 PWs) bands (ev): 3.7709 3.7709 7.6236 7.6236 7.6512 7.6512 8.9218 8.9218 8.9889 8.9889 9.7872 9.7872 9.7989 9.7989 10.5886 10.5886 10.6570 10.6570 10.8015 10.8015 10.8694 10.8694 11.5139 11.5139 11.5321 11.5321 11.5735 11.5735 11.6529 11.6529 11.7957 11.7957 12.2239 12.2239 12.6409 12.6409 12.6570 12.6570 13.8905 13.8905 17.1249 17.1249 k = 0.5000 0.5000 0.3068 ( 1480 PWs) bands (ev): 3.7846 3.7846 7.6866 7.6866 7.7139 7.7139 8.9097 8.9097 8.9891 8.9891 9.7547 9.7547 9.7671 9.7671 10.5882 10.5882 10.6523 10.6523 10.7891 10.7891 10.9134 10.9134 11.5104 11.5104 11.5288 11.5288 11.5697 11.5697 11.6462 11.6462 11.8189 11.8189 12.2403 12.2403 12.6114 12.6114 12.6300 12.6300 13.7945 13.7945 17.0344 17.0344 k = 0.5000 0.5000 0.3182 ( 1480 PWs) bands (ev): 3.7980 3.7980 7.7512 7.7512 7.7781 7.7781 8.8981 8.8981 8.9893 8.9893 9.7205 9.7205 9.7336 9.7336 10.5877 10.5877 10.6475 10.6475 10.7778 10.7778 10.9568 10.9568 11.5050 11.5050 11.5233 11.5233 11.5660 11.5660 11.6391 11.6391 11.8427 11.8427 12.2559 12.2559 12.5831 12.5831 12.6042 12.6042 13.7041 13.7041 16.9499 16.9499 k = 0.5000 0.5000 0.3295 ( 1488 PWs) bands (ev): 3.8111 3.8111 7.8172 7.8172 7.8437 7.8437 8.8870 8.8870 8.9895 8.9895 9.6846 9.6846 9.6984 9.6984 10.5871 10.5871 10.6424 10.6424 10.7676 10.7676 10.9993 10.9993 11.4976 11.4976 11.5155 11.5155 11.5625 11.5625 11.6316 11.6316 11.8668 11.8668 12.2702 12.2702 12.5562 12.5562 12.5797 12.5797 13.6196 13.6196 16.8712 16.8712 k = 0.5000 0.5000 0.3409 ( 1480 PWs) bands (ev): 3.8239 3.8239 7.8845 7.8845 7.9106 7.9106 8.8765 8.8765 8.9898 8.9898 9.6469 9.6469 9.6616 9.6616 10.5868 10.5868 10.6373 10.6373 10.7585 10.7585 11.0405 11.0405 11.4888 11.4888 11.5058 11.5058 11.5596 11.5596 11.6239 11.6239 11.8914 11.8914 12.2840 12.2840 12.5313 12.5313 12.5569 12.5569 13.5409 13.5409 16.7984 16.7984 k = 0.5000 0.5000 0.3523 ( 1480 PWs) bands (ev): 3.8361 3.8361 7.9530 7.9530 7.9786 7.9786 8.8666 8.8666 8.9901 8.9901 9.6073 9.6073 9.6229 9.6229 10.5865 10.5865 10.6320 10.6320 10.7505 10.7505 11.0801 11.0801 11.4781 11.4781 11.4940 11.4940 11.5570 11.5570 11.6160 11.6160 11.9163 11.9163 12.2965 12.2965 12.5083 12.5083 12.5359 12.5359 13.4680 13.4680 16.7313 16.7313 k = 0.5000 0.5000 0.3636 ( 1480 PWs) bands (ev): 3.8478 3.8478 8.0225 8.0225 8.0476 8.0476 8.8573 8.8573 8.9903 8.9903 9.5658 9.5658 9.5822 9.5822 10.5862 10.5862 10.6265 10.6265 10.7434 10.7434 11.1177 11.1177 11.4661 11.4661 11.4806 11.4806 11.5547 11.5547 11.6080 11.6080 11.9413 11.9413 12.3077 12.3077 12.4876 12.4876 12.5166 12.5166 13.4010 13.4010 16.6697 16.6697 k = 0.5000 0.5000 0.3750 ( 1480 PWs) bands (ev): 3.8588 3.8588 8.0928 8.0928 8.1173 8.1173 8.8487 8.8487 8.9906 8.9906 9.5222 9.5222 9.5396 9.5396 10.5859 10.5859 10.6211 10.6211 10.7373 10.7373 11.1531 11.1531 11.4531 11.4531 11.4660 11.4660 11.5527 11.5527 11.5998 11.5998 11.9662 11.9662 12.3175 12.3175 12.4693 12.4693 12.4993 12.4993 13.3398 13.3398 16.6136 16.6136 k = 0.5000 0.5000 0.3864 ( 1480 PWs) bands (ev): 3.8692 3.8692 8.1639 8.1639 8.1877 8.1877 8.8407 8.8407 8.9908 8.9908 9.4765 9.4765 9.4949 9.4949 10.5857 10.5857 10.6157 10.6157 10.7320 10.7320 11.1860 11.1860 11.4393 11.4393 11.4507 11.4507 11.5509 11.5509 11.5918 11.5918 11.9909 11.9909 12.3258 12.3258 12.4537 12.4537 12.4838 12.4838 13.2843 13.2843 16.5627 16.5627 k = 0.5000 0.5000 0.3977 ( 1488 PWs) bands (ev): 3.8788 3.8788 8.2355 8.2355 8.2584 8.2584 8.8335 8.8335 8.9909 8.9909 9.4287 9.4287 9.4482 9.4482 10.5855 10.5855 10.6104 10.6104 10.7274 10.7274 11.2161 11.2161 11.4253 11.4253 11.4350 11.4350 11.5490 11.5490 11.5838 11.5838 12.0151 12.0151 12.3322 12.3322 12.4408 12.4408 12.4701 12.4701 13.2346 13.2346 16.5169 16.5169 k = 0.5000 0.5000 0.4091 ( 1496 PWs) bands (ev): 3.8875 3.8875 8.3073 8.3073 8.3293 8.3293 8.8269 8.8269 8.9910 8.9910 9.3787 9.3787 9.3994 9.3994 10.5853 10.5853 10.6055 10.6055 10.7235 10.7235 11.2431 11.2431 11.4113 11.4113 11.4195 11.4195 11.5475 11.5475 11.5762 11.5762 12.0383 12.0383 12.3369 12.3369 12.4308 12.4308 12.4582 12.4582 13.1904 13.1904 16.4760 16.4760 k = 0.5000 0.5000 0.4205 ( 1488 PWs) bands (ev): 3.8954 3.8954 8.3793 8.3793 8.4000 8.4000 8.8212 8.8212 8.9910 8.9910 9.3269 9.3269 9.3487 9.3487 10.5853 10.5853 10.6011 10.6011 10.7204 10.7204 11.2674 11.2674 11.3980 11.3980 11.4047 11.4047 11.5464 11.5464 11.5691 11.5691 12.0604 12.0604 12.3396 12.3396 12.4238 12.4238 12.4480 12.4480 13.1519 13.1519 16.4398 16.4398 k = 0.5000 0.5000 0.4318 ( 1480 PWs) bands (ev): 3.9024 3.9024 8.4510 8.4510 8.4703 8.4703 8.8163 8.8163 8.9908 8.9908 9.2732 9.2732 9.2963 9.2963 10.5853 10.5853 10.5972 10.5972 10.7178 10.7178 11.2886 11.2886 11.3855 11.3855 11.3910 11.3910 11.5454 11.5454 11.5627 11.5627 12.0807 12.0807 12.3406 12.3406 12.4194 12.4194 12.4395 12.4395 13.1189 13.1189 16.4080 16.4080 k = 0.5000 0.5000 0.4432 ( 1472 PWs) bands (ev): 3.9083 3.9083 8.5222 8.5222 8.5394 8.5394 8.8120 8.8120 8.9901 8.9901 9.2180 9.2180 9.2425 9.2425 10.5853 10.5853 10.5937 10.5937 10.7156 10.7156 11.3068 11.3068 11.3743 11.3743 11.3787 11.3787 11.5447 11.5447 11.5568 11.5568 12.0990 12.0990 12.3403 12.3403 12.4172 12.4172 12.4325 12.4325 13.0911 13.0911 16.3803 16.3803 k = 0.5000 0.5000 0.4545 ( 1472 PWs) bands (ev): 3.9133 3.9133 8.5922 8.5922 8.6068 8.6068 8.8086 8.8086 8.9886 8.9886 9.1621 9.1621 9.1877 9.1877 10.5853 10.5853 10.5907 10.5907 10.7138 10.7138 11.3215 11.3215 11.3647 11.3647 11.3681 11.3681 11.5439 11.5439 11.5519 11.5519 12.1146 12.1146 12.3392 12.3392 12.4163 12.4163 12.4268 12.4268 13.0685 13.0685 16.3566 16.3566 k = 0.5000 0.5000 0.4659 ( 1472 PWs) bands (ev): 3.9171 3.9171 8.6604 8.6604 8.6710 8.6710 8.8060 8.8060 8.9852 8.9852 9.1073 9.1073 9.1334 9.1334 10.5852 10.5852 10.5883 10.5883 10.7125 10.7125 11.3329 11.3329 11.3569 11.3569 11.3595 11.3595 11.5433 11.5433 11.5479 11.5479 12.1273 12.1273 12.3377 12.3377 12.4163 12.4163 12.4224 12.4224 13.0510 13.0510 16.3367 16.3367 k = 0.5000 0.5000 0.4773 ( 1472 PWs) bands (ev): 3.9199 3.9199 8.7251 8.7251 8.7292 8.7292 8.8044 8.8044 8.9758 8.9758 9.0593 9.0593 9.0820 9.0820 10.5852 10.5852 10.5865 10.5865 10.7115 10.7115 11.3410 11.3410 11.3512 11.3512 11.3533 11.3533 11.5429 11.5429 11.5450 11.5450 12.1367 12.1367 12.3365 12.3365 12.4165 12.4165 12.4193 12.4193 13.0386 13.0386 16.3213 16.3213 k = 0.5000 0.5000 0.4886 ( 1472 PWs) bands (ev): 3.9216 3.9216 8.7736 8.7736 8.7809 8.7809 8.8049 8.8049 8.9533 8.9533 9.0302 9.0302 9.0403 9.0403 10.5852 10.5852 10.5855 10.5855 10.7109 10.7109 11.3455 11.3455 11.3477 11.3477 11.3498 11.3498 11.5427 11.5427 11.5432 11.5432 12.1424 12.1424 12.3356 12.3356 12.4167 12.4167 12.4175 12.4175 13.0312 13.0312 16.3113 16.3113 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): 3.9222 3.9222 8.7891 8.7891 8.8081 8.8081 8.8081 8.8081 8.9351 8.9351 9.0226 9.0226 9.0226 9.0226 10.5851 10.5851 10.5851 10.5851 10.7107 10.7107 11.3465 11.3465 11.3465 11.3465 11.3492 11.3492 11.5426 11.5426 11.5426 11.5426 12.1443 12.1443 12.3353 12.3353 12.4168 12.4168 12.4168 12.4168 13.0288 13.0288 16.3078 16.3078 Writing output data file Ni3Ge.save init_run : 0.14s CPU 0.31s WALL ( 1 calls) electrons : 76.12s CPU 77.95s 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 : 76.11s CPU 77.94s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.02s WALL ( 338 calls) cegterg : 69.25s CPU 70.69s WALL ( 489 calls) Called by sum_band: Called by *egterg: h_psi : 29.02s CPU 29.99s WALL ( 7452 calls) s_psi : 2.62s CPU 2.63s WALL ( 7452 calls) g_psi : 0.10s CPU 0.07s WALL ( 6625 calls) cdiaghg : 36.54s CPU 37.21s WALL ( 6963 calls) cegterg:over : 2.16s CPU 2.17s WALL ( 6625 calls) cegterg:upda : 1.39s CPU 1.40s WALL ( 6625 calls) cegterg:last : 0.84s CPU 0.82s WALL ( 1165 calls) cdiaghg:chol : 1.87s CPU 1.87s WALL ( 6963 calls) cdiaghg:inve : 1.18s CPU 1.17s WALL ( 6963 calls) cdiaghg:para : 2.09s CPU 2.07s WALL ( 13926 calls) Called by h_psi: h_psi:vloc : 23.72s CPU 24.44s WALL ( 7452 calls) h_psi:vnl : 5.25s CPU 5.50s WALL ( 7452 calls) add_vuspsi : 3.05s CPU 3.07s WALL ( 7452 calls) General routines calbec : 2.18s CPU 2.41s WALL ( 7452 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 22.66s CPU 23.21s WALL ( 648696 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.13s WALL ( 676 calls) Parallel routines fft_scatter : 12.04s CPU 12.45s WALL ( 648719 calls) PWSCF : 1m24.92s CPU 1m36.15s WALL This run was terminated on: 18:37:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=