Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:18: 3 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: ./TiZn3.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 39 11 1099 1099 172 Max 40 40 13 1102 1102 176 Sum 1405 1405 421 39607 39607 6235 bravais-lattice index = 14 lattice parameter (alat) = 7.4308 a.u. unit-cell volume = 410.3017 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.430781 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 Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 PseudoPot. # 2 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ti 12.00 47.86700 Ti( 1.00) Zn 12.00 65.40900 Zn( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 310 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032258 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032258 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032258 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032258 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032258 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032258 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032258 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032258 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032258 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032258 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032258 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032258 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032258 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032258 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032258 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032258 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032258 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032258 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032258 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032258 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032258 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032258 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032258 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032258 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032258 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032258 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032258 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032258 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032258 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032258 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032258 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032258 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032258 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032258 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032258 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032258 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032258 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032258 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032258 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032258 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032258 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032258 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032258 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032258 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032258 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032258 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032258 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032258 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032258 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032258 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032258 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032258 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032258 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032258 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032258 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032258 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032258 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032258 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032258 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032258 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032258 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032258 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032258 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032258 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032258 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032258 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032258 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032258 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032258 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032258 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032258 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032258 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032258 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032258 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032258 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032258 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032258 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0032258 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0032258 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0032258 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0032258 k( 88) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0032258 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0032258 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0032258 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0032258 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0032258 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0032258 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0032258 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0032258 k( 96) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0032258 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0032258 k( 98) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0032258 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0032258 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0032258 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0032258 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032258 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0032258 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0032258 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0032258 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0032258 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0032258 k( 108) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0032258 k( 109) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0032258 k( 110) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0032258 k( 111) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0032258 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0032258 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0032258 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0032258 k( 115) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0032258 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0032258 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0032258 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0032258 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0032258 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0032258 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032258 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0032258 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0032258 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0032258 k( 125) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0032258 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0032258 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0032258 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0032258 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0032258 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0032258 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0032258 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0032258 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0032258 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0032258 k( 135) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0032258 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0032258 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0032258 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0032258 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 142) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0032258 k( 143) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0032258 k( 144) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0032258 k( 145) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0032258 k( 146) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0032258 k( 147) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0032258 k( 148) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0032258 k( 149) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0032258 k( 150) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0032258 k( 151) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0032258 k( 152) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0032258 k( 153) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0032258 k( 154) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0032258 k( 155) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0032258 k( 156) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0032258 k( 157) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0032258 k( 158) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0032258 k( 159) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0032258 k( 160) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0032258 k( 161) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0032258 k( 162) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0032258 k( 163) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0032258 k( 164) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0032258 k( 165) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0032258 k( 166) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0032258 k( 167) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0032258 k( 168) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0032258 k( 169) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0032258 k( 170) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0032258 k( 171) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0032258 k( 172) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0032258 k( 173) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0032258 k( 174) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0032258 k( 175) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0032258 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258 k( 177) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0032258 k( 178) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0032258 k( 179) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0032258 k( 180) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0032258 k( 181) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0032258 k( 182) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0032258 k( 183) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0032258 k( 184) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0032258 k( 185) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0032258 k( 186) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0032258 k( 187) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0032258 k( 188) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0032258 k( 189) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0032258 k( 190) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0032258 k( 191) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0032258 k( 192) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0032258 k( 193) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0032258 k( 194) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0032258 k( 195) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0032258 k( 196) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0032258 k( 197) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0032258 k( 198) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0032258 k( 199) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0032258 k( 200) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0032258 k( 201) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0032258 k( 202) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0032258 k( 203) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0032258 k( 204) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0032258 k( 205) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0032258 k( 206) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0032258 k( 207) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0032258 k( 208) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0032258 k( 209) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0032258 k( 210) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0032258 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 212) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 213) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0032258 k( 214) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0032258 k( 215) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0032258 k( 216) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0032258 k( 217) = ( 0.4561404 0.5000000 0.4561403), wk = 0.0032258 k( 218) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0032258 k( 219) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0032258 k( 220) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0032258 k( 221) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0032258 k( 222) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0032258 k( 223) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0032258 k( 224) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0032258 k( 225) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0032258 k( 226) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0032258 k( 227) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0032258 k( 228) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0032258 k( 229) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0032258 k( 230) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0032258 k( 231) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0032258 k( 232) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0032258 k( 233) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0032258 k( 234) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0032258 k( 235) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0032258 k( 236) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0032258 k( 237) = ( 0.2807018 0.5000000 0.2807017), wk = 0.0032258 k( 238) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0032258 k( 239) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0032258 k( 240) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0032258 k( 241) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0032258 k( 242) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0032258 k( 243) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0032258 k( 244) = ( 0.2192983 0.5000000 0.2192982), wk = 0.0032258 k( 245) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0032258 k( 246) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0032258 k( 247) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0032258 k( 248) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0032258 k( 249) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0032258 k( 250) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0032258 k( 251) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0032258 k( 252) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0032258 k( 253) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0032258 k( 254) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0032258 k( 255) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0032258 k( 256) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0032258 k( 257) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0032258 k( 258) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0032258 k( 259) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0032258 k( 260) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0032258 k( 261) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0032258 k( 262) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0032258 k( 263) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0032258 k( 264) = ( 0.0438597 0.5000000 0.0438596), wk = 0.0032258 k( 265) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0032258 k( 266) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0032258 k( 267) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0032258 k( 268) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0032258 k( 269) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258 k( 270) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 271) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032258 k( 272) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032258 k( 273) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032258 k( 274) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032258 k( 275) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032258 k( 276) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032258 k( 277) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032258 k( 278) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032258 k( 279) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032258 k( 280) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032258 k( 281) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032258 k( 282) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032258 k( 283) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032258 k( 284) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032258 k( 285) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032258 k( 286) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032258 k( 287) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032258 k( 288) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032258 k( 289) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032258 k( 290) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032258 k( 291) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032258 k( 292) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032258 k( 293) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032258 k( 294) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032258 k( 295) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032258 k( 296) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032258 k( 297) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032258 k( 298) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032258 k( 299) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032258 k( 300) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032258 k( 301) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032258 k( 302) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032258 k( 303) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032258 k( 304) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032258 k( 305) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032258 k( 306) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032258 k( 307) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032258 k( 308) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032258 k( 309) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032258 k( 310) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032258 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032258 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032258 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032258 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032258 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032258 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032258 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032258 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032258 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032258 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032258 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032258 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032258 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032258 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032258 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032258 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032258 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032258 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032258 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032258 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032258 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032258 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032258 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032258 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032258 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032258 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032258 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032258 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032258 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032258 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032258 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032258 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032258 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032258 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032258 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032258 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032258 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032258 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032258 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032258 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032258 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032258 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032258 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032258 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032258 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032258 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032258 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032258 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032258 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032258 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032258 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032258 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032258 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032258 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032258 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032258 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032258 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032258 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032258 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032258 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032258 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032258 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032258 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032258 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032258 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032258 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032258 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032258 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032258 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032258 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032258 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032258 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032258 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032258 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032258 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032258 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032258 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258 k( 84) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0032258 k( 85) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0032258 k( 86) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0032258 k( 87) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0032258 k( 88) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0032258 k( 89) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0032258 k( 90) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0032258 k( 91) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0032258 k( 92) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0032258 k( 93) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0032258 k( 94) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0032258 k( 95) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0032258 k( 96) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0032258 k( 97) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0032258 k( 98) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0032258 k( 99) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0032258 k( 100) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0032258 k( 101) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0032258 k( 102) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032258 k( 103) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0032258 k( 104) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0032258 k( 105) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0032258 k( 106) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0032258 k( 107) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0032258 k( 108) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0032258 k( 109) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0032258 k( 110) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0032258 k( 111) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0032258 k( 112) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0032258 k( 113) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0032258 k( 114) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0032258 k( 115) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0032258 k( 116) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0032258 k( 117) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0032258 k( 118) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0032258 k( 119) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0032258 k( 120) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0032258 k( 121) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0032258 k( 122) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0032258 k( 123) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0032258 k( 124) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0032258 k( 125) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0032258 k( 126) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0032258 k( 127) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0032258 k( 128) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0032258 k( 129) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0032258 k( 130) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0032258 k( 131) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0032258 k( 132) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0032258 k( 133) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0032258 k( 134) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0032258 k( 135) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0032258 k( 136) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0032258 k( 137) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0032258 k( 138) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0032258 k( 139) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 142) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0032258 k( 143) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0032258 k( 144) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0032258 k( 145) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0032258 k( 146) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0032258 k( 147) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0032258 k( 148) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0032258 k( 149) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0032258 k( 150) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0032258 k( 151) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0032258 k( 152) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0032258 k( 153) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0032258 k( 154) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0032258 k( 155) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0032258 k( 156) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0032258 k( 157) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0032258 k( 158) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0032258 k( 159) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0032258 k( 160) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0032258 k( 161) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0032258 k( 162) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0032258 k( 163) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0032258 k( 164) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0032258 k( 165) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0032258 k( 166) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0032258 k( 167) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0032258 k( 168) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0032258 k( 169) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0032258 k( 170) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0032258 k( 171) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0032258 k( 172) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0032258 k( 173) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0032258 k( 174) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0032258 k( 175) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0032258 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258 k( 177) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0032258 k( 178) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0032258 k( 179) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0032258 k( 180) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0032258 k( 181) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0032258 k( 182) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0032258 k( 183) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0032258 k( 184) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0032258 k( 185) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0032258 k( 186) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0032258 k( 187) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0032258 k( 188) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0032258 k( 189) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0032258 k( 190) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0032258 k( 191) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0032258 k( 192) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0032258 k( 193) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0032258 k( 194) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0032258 k( 195) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0032258 k( 196) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0032258 k( 197) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0032258 k( 198) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0032258 k( 199) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0032258 k( 200) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0032258 k( 201) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0032258 k( 202) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0032258 k( 203) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0032258 k( 204) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0032258 k( 205) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0032258 k( 206) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0032258 k( 207) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0032258 k( 208) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0032258 k( 209) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0032258 k( 210) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0032258 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 212) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 213) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0032258 k( 214) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0032258 k( 215) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0032258 k( 216) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0032258 k( 217) = ( 0.4561404 0.5000000 0.4561404), wk = 0.0032258 k( 218) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0032258 k( 219) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0032258 k( 220) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0032258 k( 221) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0032258 k( 222) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0032258 k( 223) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0032258 k( 224) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0032258 k( 225) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0032258 k( 226) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0032258 k( 227) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0032258 k( 228) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0032258 k( 229) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0032258 k( 230) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0032258 k( 231) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0032258 k( 232) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0032258 k( 233) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0032258 k( 234) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0032258 k( 235) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0032258 k( 236) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0032258 k( 237) = ( 0.2807018 0.5000000 0.2807018), wk = 0.0032258 k( 238) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0032258 k( 239) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0032258 k( 240) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0032258 k( 241) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0032258 k( 242) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0032258 k( 243) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0032258 k( 244) = ( 0.2192983 0.5000000 0.2192983), wk = 0.0032258 k( 245) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0032258 k( 246) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0032258 k( 247) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0032258 k( 248) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0032258 k( 249) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0032258 k( 250) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0032258 k( 251) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0032258 k( 252) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0032258 k( 253) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0032258 k( 254) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0032258 k( 255) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0032258 k( 256) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0032258 k( 257) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0032258 k( 258) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0032258 k( 259) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0032258 k( 260) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0032258 k( 261) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0032258 k( 262) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0032258 k( 263) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0032258 k( 264) = ( 0.0438597 0.5000000 0.0438597), wk = 0.0032258 k( 265) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0032258 k( 266) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0032258 k( 267) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0032258 k( 268) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0032258 k( 269) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 270) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258 k( 271) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032258 k( 272) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032258 k( 273) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032258 k( 274) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032258 k( 275) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032258 k( 276) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032258 k( 277) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032258 k( 278) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032258 k( 279) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032258 k( 280) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032258 k( 281) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032258 k( 282) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032258 k( 283) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032258 k( 284) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032258 k( 285) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032258 k( 286) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032258 k( 287) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032258 k( 288) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032258 k( 289) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032258 k( 290) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032258 k( 291) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032258 k( 292) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032258 k( 293) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032258 k( 294) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032258 k( 295) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032258 k( 296) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032258 k( 297) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032258 k( 298) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032258 k( 299) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032258 k( 300) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032258 k( 301) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032258 k( 302) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032258 k( 303) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032258 k( 304) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032258 k( 305) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032258 k( 306) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032258 k( 307) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032258 k( 308) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032258 k( 309) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032258 k( 310) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 Dense grid: 39607 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 288, 58) NL pseudopotentials 0.30 Mb ( 144, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1101) G-vector shells 0.00 Mb ( 271) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 288, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 136, 2, 58) The potential is recalculated from file : ./TiZn3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.4 secs Computing kpt #: 8 total cpu time spent up to now is 8.3 secs Computing kpt #: 9 total cpu time spent up to now is 9.1 secs Computing kpt #: 10 total cpu time spent up to now is 9.7 secs Computing kpt #: 11 total cpu time spent up to now is 10.2 secs Computing kpt #: 12 total cpu time spent up to now is 10.8 secs Computing kpt #: 13 total cpu time spent up to now is 11.3 secs Computing kpt #: 14 total cpu time spent up to now is 11.9 secs Computing kpt #: 15 total cpu time spent up to now is 12.4 secs Computing kpt #: 16 total cpu time spent up to now is 13.0 secs Computing kpt #: 17 total cpu time spent up to now is 13.6 secs Computing kpt #: 18 total cpu time spent up to now is 14.1 secs Computing kpt #: 19 total cpu time spent up to now is 14.7 secs Computing kpt #: 20 total cpu time spent up to now is 15.2 secs Computing kpt #: 21 total cpu time spent up to now is 15.8 secs Computing kpt #: 22 total cpu time spent up to now is 16.4 secs Computing kpt #: 23 total cpu time spent up to now is 16.9 secs Computing kpt #: 24 total cpu time spent up to now is 17.5 secs Computing kpt #: 25 total cpu time spent up to now is 18.1 secs Computing kpt #: 26 total cpu time spent up to now is 18.6 secs Computing kpt #: 27 total cpu time spent up to now is 19.2 secs Computing kpt #: 28 total cpu time spent up to now is 19.8 secs Computing kpt #: 29 total cpu time spent up to now is 20.4 secs Computing kpt #: 30 total cpu time spent up to now is 20.9 secs Computing kpt #: 31 total cpu time spent up to now is 21.5 secs Computing kpt #: 32 total cpu time spent up to now is 22.1 secs Computing kpt #: 33 total cpu time spent up to now is 22.6 secs Computing kpt #: 34 total cpu time spent up to now is 23.2 secs Computing kpt #: 35 total cpu time spent up to now is 23.8 secs Computing kpt #: 36 total cpu time spent up to now is 24.3 secs Computing kpt #: 37 total cpu time spent up to now is 24.9 secs Computing kpt #: 38 total cpu time spent up to now is 25.4 secs Computing kpt #: 39 total cpu time spent up to now is 26.0 secs Computing kpt #: 40 total cpu time spent up to now is 26.6 secs Computing kpt #: 41 total cpu time spent up to now is 27.1 secs Computing kpt #: 42 total cpu time spent up to now is 27.6 secs Computing kpt #: 43 total cpu time spent up to now is 28.2 secs Computing kpt #: 44 total cpu time spent up to now is 28.8 secs Computing kpt #: 45 total cpu time spent up to now is 29.3 secs Computing kpt #: 46 total cpu time spent up to now is 29.9 secs Computing kpt #: 47 total cpu time spent up to now is 30.4 secs Computing kpt #: 48 total cpu time spent up to now is 31.0 secs Computing kpt #: 49 total cpu time spent up to now is 31.6 secs Computing kpt #: 50 total cpu time spent up to now is 32.5 secs Computing kpt #: 51 total cpu time spent up to now is 33.1 secs Computing kpt #: 52 total cpu time spent up to now is 33.6 secs Computing kpt #: 53 total cpu time spent up to now is 34.2 secs Computing kpt #: 54 total cpu time spent up to now is 34.8 secs Computing kpt #: 55 total cpu time spent up to now is 35.3 secs Computing kpt #: 56 total cpu time spent up to now is 35.9 secs Computing kpt #: 57 total cpu time spent up to now is 36.4 secs Computing kpt #: 58 total cpu time spent up to now is 37.0 secs Computing kpt #: 59 total cpu time spent up to now is 37.6 secs Computing kpt #: 60 total cpu time spent up to now is 38.2 secs Computing kpt #: 61 total cpu time spent up to now is 38.7 secs Computing kpt #: 62 total cpu time spent up to now is 39.3 secs Computing kpt #: 63 total cpu time spent up to now is 39.8 secs Computing kpt #: 64 total cpu time spent up to now is 40.4 secs Computing kpt #: 65 total cpu time spent up to now is 41.0 secs Computing kpt #: 66 total cpu time spent up to now is 41.5 secs Computing kpt #: 67 total cpu time spent up to now is 42.1 secs Computing kpt #: 68 total cpu time spent up to now is 43.1 secs Computing kpt #: 69 total cpu time spent up to now is 43.8 secs Computing kpt #: 70 total cpu time spent up to now is 44.3 secs Computing kpt #: 71 total cpu time spent up to now is 44.9 secs Computing kpt #: 72 total cpu time spent up to now is 45.5 secs Computing kpt #: 73 total cpu time spent up to now is 46.0 secs Computing kpt #: 74 total cpu time spent up to now is 46.6 secs Computing kpt #: 75 total cpu time spent up to now is 47.2 secs Computing kpt #: 76 total cpu time spent up to now is 47.7 secs Computing kpt #: 77 total cpu time spent up to now is 48.3 secs Computing kpt #: 78 total cpu time spent up to now is 48.9 secs Computing kpt #: 79 total cpu time spent up to now is 49.5 secs Computing kpt #: 80 total cpu time spent up to now is 50.0 secs Computing kpt #: 81 total cpu time spent up to now is 50.6 secs Computing kpt #: 82 total cpu time spent up to now is 51.1 secs Computing kpt #: 83 total cpu time spent up to now is 51.7 secs Computing kpt #: 84 total cpu time spent up to now is 52.2 secs Computing kpt #: 85 total cpu time spent up to now is 52.8 secs Computing kpt #: 86 total cpu time spent up to now is 53.4 secs Computing kpt #: 87 total cpu time spent up to now is 54.0 secs Computing kpt #: 88 total cpu time spent up to now is 54.5 secs Computing kpt #: 89 total cpu time spent up to now is 55.1 secs Computing kpt #: 90 total cpu time spent up to now is 55.7 secs Computing kpt #: 91 total cpu time spent up to now is 56.2 secs Computing kpt #: 92 total cpu time spent up to now is 56.8 secs Computing kpt #: 93 total cpu time spent up to now is 57.4 secs Computing kpt #: 94 total cpu time spent up to now is 58.0 secs Computing kpt #: 95 total cpu time spent up to now is 58.6 secs Computing kpt #: 96 total cpu time spent up to now is 59.2 secs Computing kpt #: 97 total cpu time spent up to now is 59.7 secs Computing kpt #: 98 total cpu time spent up to now is 60.3 secs Computing kpt #: 99 total cpu time spent up to now is 60.8 secs Computing kpt #: 100 total cpu time spent up to now is 61.4 secs Computing kpt #: 101 total cpu time spent up to now is 61.9 secs Computing kpt #: 102 total cpu time spent up to now is 62.5 secs Computing kpt #: 103 total cpu time spent up to now is 63.1 secs Computing kpt #: 104 total cpu time spent up to now is 63.6 secs Computing kpt #: 105 total cpu time spent up to now is 64.2 secs Computing kpt #: 106 total cpu time spent up to now is 64.7 secs Computing kpt #: 107 total cpu time spent up to now is 65.3 secs Computing kpt #: 108 total cpu time spent up to now is 65.9 secs Computing kpt #: 109 total cpu time spent up to now is 66.4 secs Computing kpt #: 110 total cpu time spent up to now is 67.0 secs Computing kpt #: 111 total cpu time spent up to now is 67.5 secs Computing kpt #: 112 total cpu time spent up to now is 68.1 secs Computing kpt #: 113 total cpu time spent up to now is 68.6 secs Computing kpt #: 114 total cpu time spent up to now is 69.2 secs Computing kpt #: 115 total cpu time spent up to now is 69.8 secs Computing kpt #: 116 total cpu time spent up to now is 70.3 secs Computing kpt #: 117 total cpu time spent up to now is 70.9 secs Computing kpt #: 118 total cpu time spent up to now is 71.5 secs Computing kpt #: 119 total cpu time spent up to now is 72.0 secs Computing kpt #: 120 total cpu time spent up to now is 72.7 secs Computing kpt #: 121 total cpu time spent up to now is 73.2 secs Computing kpt #: 122 total cpu time spent up to now is 73.8 secs Computing kpt #: 123 total cpu time spent up to now is 74.4 secs Computing kpt #: 124 total cpu time spent up to now is 74.9 secs Computing kpt #: 125 total cpu time spent up to now is 75.5 secs Computing kpt #: 126 total cpu time spent up to now is 76.0 secs Computing kpt #: 127 total cpu time spent up to now is 76.6 secs Computing kpt #: 128 total cpu time spent up to now is 77.2 secs Computing kpt #: 129 total cpu time spent up to now is 77.8 secs Computing kpt #: 130 total cpu time spent up to now is 78.4 secs Computing kpt #: 131 total cpu time spent up to now is 79.1 secs Computing kpt #: 132 total cpu time spent up to now is 79.8 secs Computing kpt #: 133 total cpu time spent up to now is 80.6 secs Computing kpt #: 134 total cpu time spent up to now is 81.3 secs Computing kpt #: 135 total cpu time spent up to now is 82.2 secs Computing kpt #: 136 total cpu time spent up to now is 83.0 secs Computing kpt #: 137 total cpu time spent up to now is 84.0 secs Computing kpt #: 138 total cpu time spent up to now is 84.9 secs Computing kpt #: 139 total cpu time spent up to now is 86.2 secs Computing kpt #: 140 total cpu time spent up to now is 86.8 secs Computing kpt #: 141 total cpu time spent up to now is 87.5 secs Computing kpt #: 142 total cpu time spent up to now is 88.1 secs Computing kpt #: 143 total cpu time spent up to now is 88.8 secs Computing kpt #: 144 total cpu time spent up to now is 89.5 secs Computing kpt #: 145 total cpu time spent up to now is 90.2 secs Computing kpt #: 146 total cpu time spent up to now is 90.9 secs Computing kpt #: 147 total cpu time spent up to now is 91.6 secs Computing kpt #: 148 total cpu time spent up to now is 92.3 secs Computing kpt #: 149 total cpu time spent up to now is 93.1 secs Computing kpt #: 150 total cpu time spent up to now is 94.0 secs Computing kpt #: 151 total cpu time spent up to now is 95.0 secs Computing kpt #: 152 total cpu time spent up to now is 95.6 secs Computing kpt #: 153 total cpu time spent up to now is 96.2 secs Computing kpt #: 154 total cpu time spent up to now is 96.9 secs Computing kpt #: 155 total cpu time spent up to now is 97.4 secs Computing kpt #: 156 total cpu time spent up to now is 98.4 secs Computing kpt #: 157 total cpu time spent up to now is 99.2 secs Computing kpt #: 158 total cpu time spent up to now is 100.1 secs Computing kpt #: 159 total cpu time spent up to now is 100.9 secs Computing kpt #: 160 total cpu time spent up to now is 101.7 secs Computing kpt #: 161 total cpu time spent up to now is 102.5 secs Computing kpt #: 162 total cpu time spent up to now is 103.3 secs Computing kpt #: 163 total cpu time spent up to now is 104.2 secs Computing kpt #: 164 total cpu time spent up to now is 105.1 secs Computing kpt #: 165 total cpu time spent up to now is 106.0 secs Computing kpt #: 166 total cpu time spent up to now is 106.9 secs Computing kpt #: 167 total cpu time spent up to now is 107.9 secs Computing kpt #: 168 total cpu time spent up to now is 108.8 secs Computing kpt #: 169 total cpu time spent up to now is 109.5 secs Computing kpt #: 170 total cpu time spent up to now is 110.4 secs Computing kpt #: 171 total cpu time spent up to now is 111.2 secs Computing kpt #: 172 total cpu time spent up to now is 111.8 secs Computing kpt #: 173 total cpu time spent up to now is 112.4 secs Computing kpt #: 174 total cpu time spent up to now is 113.0 secs Computing kpt #: 175 total cpu time spent up to now is 113.6 secs Computing kpt #: 176 total cpu time spent up to now is 114.2 secs Computing kpt #: 177 total cpu time spent up to now is 115.1 secs Computing kpt #: 178 total cpu time spent up to now is 115.8 secs Computing kpt #: 179 total cpu time spent up to now is 116.5 secs Computing kpt #: 180 total cpu time spent up to now is 117.1 secs Computing kpt #: 181 total cpu time spent up to now is 117.7 secs Computing kpt #: 182 total cpu time spent up to now is 118.3 secs Computing kpt #: 183 total cpu time spent up to now is 119.0 secs Computing kpt #: 184 total cpu time spent up to now is 119.6 secs Computing kpt #: 185 total cpu time spent up to now is 120.3 secs Computing kpt #: 186 total cpu time spent up to now is 120.9 secs Computing kpt #: 187 total cpu time spent up to now is 121.6 secs Computing kpt #: 188 total cpu time spent up to now is 122.2 secs Computing kpt #: 189 total cpu time spent up to now is 122.9 secs Computing kpt #: 190 total cpu time spent up to now is 123.5 secs Computing kpt #: 191 total cpu time spent up to now is 124.2 secs Computing kpt #: 192 total cpu time spent up to now is 124.9 secs Computing kpt #: 193 total cpu time spent up to now is 125.6 secs Computing kpt #: 194 total cpu time spent up to now is 126.2 secs Computing kpt #: 195 total cpu time spent up to now is 126.9 secs Computing kpt #: 196 total cpu time spent up to now is 127.6 secs Computing kpt #: 197 total cpu time spent up to now is 128.2 secs Computing kpt #: 198 total cpu time spent up to now is 128.9 secs Computing kpt #: 199 total cpu time spent up to now is 129.9 secs Computing kpt #: 200 total cpu time spent up to now is 130.5 secs Computing kpt #: 201 total cpu time spent up to now is 131.3 secs Computing kpt #: 202 total cpu time spent up to now is 132.3 secs Computing kpt #: 203 total cpu time spent up to now is 133.0 secs Computing kpt #: 204 total cpu time spent up to now is 133.7 secs Computing kpt #: 205 total cpu time spent up to now is 134.4 secs Computing kpt #: 206 total cpu time spent up to now is 135.1 secs Computing kpt #: 207 total cpu time spent up to now is 135.8 secs Computing kpt #: 208 total cpu time spent up to now is 136.5 secs Computing kpt #: 209 total cpu time spent up to now is 138.1 secs Computing kpt #: 210 total cpu time spent up to now is 138.9 secs Computing kpt #: 211 total cpu time spent up to now is 139.5 secs Computing kpt #: 212 total cpu time spent up to now is 140.0 secs Computing kpt #: 213 total cpu time spent up to now is 140.8 secs Computing kpt #: 214 total cpu time spent up to now is 141.8 secs Computing kpt #: 215 total cpu time spent up to now is 142.7 secs Computing kpt #: 216 total cpu time spent up to now is 143.7 secs Computing kpt #: 217 total cpu time spent up to now is 144.4 secs Computing kpt #: 218 total cpu time spent up to now is 145.1 secs Computing kpt #: 219 total cpu time spent up to now is 145.8 secs Computing kpt #: 220 total cpu time spent up to now is 146.5 secs Computing kpt #: 221 total cpu time spent up to now is 147.2 secs Computing kpt #: 222 total cpu time spent up to now is 148.1 secs Computing kpt #: 223 total cpu time spent up to now is 148.8 secs Computing kpt #: 224 total cpu time spent up to now is 149.6 secs Computing kpt #: 225 total cpu time spent up to now is 150.3 secs Computing kpt #: 226 total cpu time spent up to now is 151.1 secs Computing kpt #: 227 total cpu time spent up to now is 151.8 secs Computing kpt #: 228 total cpu time spent up to now is 152.6 secs Computing kpt #: 229 total cpu time spent up to now is 153.3 secs Computing kpt #: 230 total cpu time spent up to now is 154.1 secs Computing kpt #: 231 total cpu time spent up to now is 154.8 secs Computing kpt #: 232 total cpu time spent up to now is 155.5 secs Computing kpt #: 233 total cpu time spent up to now is 156.3 secs Computing kpt #: 234 total cpu time spent up to now is 157.0 secs Computing kpt #: 235 total cpu time spent up to now is 157.8 secs Computing kpt #: 236 total cpu time spent up to now is 158.5 secs Computing kpt #: 237 total cpu time spent up to now is 159.2 secs Computing kpt #: 238 total cpu time spent up to now is 160.0 secs Computing kpt #: 239 total cpu time spent up to now is 160.7 secs Computing kpt #: 240 total cpu time spent up to now is 161.5 secs Computing kpt #: 241 total cpu time spent up to now is 162.2 secs Computing kpt #: 242 total cpu time spent up to now is 162.9 secs Computing kpt #: 243 total cpu time spent up to now is 163.7 secs Computing kpt #: 244 total cpu time spent up to now is 164.4 secs Computing kpt #: 245 total cpu time spent up to now is 165.1 secs Computing kpt #: 246 total cpu time spent up to now is 165.9 secs Computing kpt #: 247 total cpu time spent up to now is 166.6 secs Computing kpt #: 248 total cpu time spent up to now is 167.3 secs Computing kpt #: 249 total cpu time spent up to now is 168.0 secs Computing kpt #: 250 total cpu time spent up to now is 168.8 secs Computing kpt #: 251 total cpu time spent up to now is 169.5 secs Computing kpt #: 252 total cpu time spent up to now is 170.1 secs Computing kpt #: 253 total cpu time spent up to now is 170.7 secs Computing kpt #: 254 total cpu time spent up to now is 171.4 secs Computing kpt #: 255 total cpu time spent up to now is 172.1 secs Computing kpt #: 256 total cpu time spent up to now is 172.8 secs Computing kpt #: 257 total cpu time spent up to now is 173.5 secs Computing kpt #: 258 total cpu time spent up to now is 174.3 secs Computing kpt #: 259 total cpu time spent up to now is 175.2 secs Computing kpt #: 260 total cpu time spent up to now is 175.8 secs Computing kpt #: 261 total cpu time spent up to now is 176.4 secs Computing kpt #: 262 total cpu time spent up to now is 176.9 secs Computing kpt #: 263 total cpu time spent up to now is 177.7 secs Computing kpt #: 264 total cpu time spent up to now is 178.2 secs Computing kpt #: 265 total cpu time spent up to now is 178.8 secs Computing kpt #: 266 total cpu time spent up to now is 179.3 secs Computing kpt #: 267 total cpu time spent up to now is 179.9 secs Computing kpt #: 268 total cpu time spent up to now is 180.5 secs Computing kpt #: 269 total cpu time spent up to now is 181.0 secs Computing kpt #: 270 total cpu time spent up to now is 181.5 secs Computing kpt #: 271 total cpu time spent up to now is 182.1 secs Computing kpt #: 272 total cpu time spent up to now is 182.6 secs Computing kpt #: 273 total cpu time spent up to now is 183.2 secs Computing kpt #: 274 total cpu time spent up to now is 183.7 secs Computing kpt #: 275 total cpu time spent up to now is 184.3 secs Computing kpt #: 276 total cpu time spent up to now is 184.9 secs Computing kpt #: 277 total cpu time spent up to now is 185.5 secs Computing kpt #: 278 total cpu time spent up to now is 186.1 secs Computing kpt #: 279 total cpu time spent up to now is 186.6 secs Computing kpt #: 280 total cpu time spent up to now is 187.2 secs Computing kpt #: 281 total cpu time spent up to now is 187.7 secs Computing kpt #: 282 total cpu time spent up to now is 188.3 secs Computing kpt #: 283 total cpu time spent up to now is 188.8 secs Computing kpt #: 284 total cpu time spent up to now is 189.4 secs Computing kpt #: 285 total cpu time spent up to now is 190.0 secs Computing kpt #: 286 total cpu time spent up to now is 190.5 secs Computing kpt #: 287 total cpu time spent up to now is 191.1 secs Computing kpt #: 288 total cpu time spent up to now is 191.6 secs Computing kpt #: 289 total cpu time spent up to now is 192.2 secs Computing kpt #: 290 total cpu time spent up to now is 192.8 secs Computing kpt #: 291 total cpu time spent up to now is 193.4 secs Computing kpt #: 292 total cpu time spent up to now is 194.1 secs Computing kpt #: 293 total cpu time spent up to now is 194.8 secs Computing kpt #: 294 total cpu time spent up to now is 195.5 secs Computing kpt #: 295 total cpu time spent up to now is 196.2 secs Computing kpt #: 296 total cpu time spent up to now is 196.8 secs Computing kpt #: 297 total cpu time spent up to now is 197.6 secs Computing kpt #: 298 total cpu time spent up to now is 198.5 secs Computing kpt #: 299 total cpu time spent up to now is 199.1 secs Computing kpt #: 300 total cpu time spent up to now is 199.8 secs Computing kpt #: 301 total cpu time spent up to now is 200.5 secs Computing kpt #: 302 total cpu time spent up to now is 201.2 secs Computing kpt #: 303 total cpu time spent up to now is 201.9 secs Computing kpt #: 304 total cpu time spent up to now is 202.6 secs Computing kpt #: 305 total cpu time spent up to now is 203.3 secs Computing kpt #: 306 total cpu time spent up to now is 204.2 secs Computing kpt #: 307 total cpu time spent up to now is 205.2 secs Computing kpt #: 308 total cpu time spent up to now is 206.4 secs Computing kpt #: 309 total cpu time spent up to now is 207.2 secs Computing kpt #: 310 total cpu time spent up to now is 208.0 secs ethr = 2.08E-08, avg # of iterations = 21.1 total cpu time spent up to now is 208.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7071 -21.7071 -21.0525 -21.0525 -21.0525 -21.0525 2.5857 2.5857 4.1952 4.1952 4.3197 4.3197 4.3205 4.3205 4.3205 4.3205 4.4099 4.4099 4.4099 4.4099 4.9961 4.9961 4.9961 4.9961 5.1350 5.1350 5.3348 5.3348 5.3348 5.3348 5.5127 5.5127 5.5320 5.5320 5.6355 5.6355 5.6355 5.6355 11.0522 11.0522 11.0522 11.0522 12.0112 12.0112 12.0112 12.0112 12.0452 12.0452 13.2715 13.2715 13.2715 13.2715 13.2923 13.2923 17.0797 17.0797 k = 0.0000 0.0125-0.0000 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7071 -21.7071 -21.0525 -21.0525 -21.0525 -21.0525 2.5873 2.5873 4.1956 4.1956 4.3200 4.3200 4.3208 4.3208 4.3208 4.3208 4.4101 4.4101 4.4102 4.4102 4.9961 4.9961 4.9961 4.9961 5.1350 5.1350 5.3346 5.3346 5.3348 5.3348 5.5123 5.5123 5.5317 5.5317 5.6350 5.6350 5.6353 5.6353 11.0368 11.0368 11.0527 11.0527 12.0097 12.0097 12.0159 12.0159 12.0476 12.0476 13.2723 13.2723 13.2743 13.2743 13.2943 13.2943 17.0769 17.0769 k = 0.0000 0.0250-0.0000 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7072 -21.7072 -21.0526 -21.0526 -21.0525 -21.0525 2.5921 2.5921 4.1967 4.1967 4.3207 4.3207 4.3216 4.3216 4.3217 4.3217 4.4108 4.4108 4.4112 4.4112 4.9960 4.9960 4.9962 4.9962 5.1349 5.1349 5.3340 5.3340 5.3347 5.3347 5.5111 5.5111 5.5311 5.5311 5.6333 5.6333 5.6347 5.6347 10.9920 10.9920 11.0540 11.0540 12.0053 12.0053 12.0213 12.0213 12.0619 12.0619 13.2741 13.2741 13.2826 13.2826 13.3009 13.3009 17.0683 17.0683 k = 0.0000 0.0375-0.0000 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7072 -21.7072 -21.0527 -21.0527 -21.0525 -21.0525 2.6002 2.6002 4.1985 4.1985 4.3219 4.3219 4.3229 4.3229 4.3233 4.3233 4.4120 4.4120 4.4129 4.4129 4.9959 4.9959 4.9964 4.9964 5.1348 5.1348 5.3330 5.3330 5.3345 5.3345 5.5091 5.5091 5.5300 5.5300 5.6305 5.6305 5.6336 5.6336 10.9222 10.9222 11.0561 11.0561 11.9981 11.9981 12.0181 12.0181 12.0936 12.0936 13.2755 13.2755 13.2965 13.2965 13.3134 13.3134 17.0541 17.0541 k = 0.0000 0.0500-0.0000 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7073 -21.7073 -21.0528 -21.0528 -21.0525 -21.0525 2.6114 2.6114 4.2010 4.2010 4.3234 4.3234 4.3248 4.3248 4.3255 4.3255 4.4137 4.4137 4.4153 4.4153 4.9957 4.9957 4.9966 4.9966 5.1346 5.1346 5.3316 5.3316 5.3343 5.3343 5.5063 5.5063 5.5286 5.5286 5.6266 5.6266 5.6322 5.6322 10.8321 10.8321 11.0591 11.0591 11.9882 11.9882 12.0097 12.0097 12.1356 12.1356 13.2764 13.2764 13.3156 13.3156 13.3319 13.3319 17.0342 17.0342 k = 0.0000 0.0625-0.0000 ( 4957 PWs) bands (ev): -45.0186 -45.0186 -21.7073 -21.7073 -21.0530 -21.0530 -21.0525 -21.0525 2.6258 2.6258 4.2042 4.2042 4.3253 4.3253 4.3271 4.3271 4.3284 4.3284 4.4159 4.4159 4.4184 4.4184 4.9954 4.9954 4.9969 4.9969 5.1344 5.1344 5.3299 5.3299 5.3340 5.3340 5.5025 5.5025 5.5267 5.5267 5.6216 5.6216 5.6305 5.6305 10.7260 10.7260 11.0630 11.0630 11.9758 11.9758 11.9981 11.9981 12.1825 12.1825 13.2768 13.2768 13.3400 13.3400 13.3560 13.3560 17.0089 17.0089 k = 0.0000 0.0750-0.0000 ( 4961 PWs) bands (ev): -45.0186 -45.0186 -21.7074 -21.7074 -21.0532 -21.0532 -21.0524 -21.0524 2.6433 2.6433 4.2081 4.2081 4.3277 4.3277 4.3300 4.3300 4.3319 4.3319 4.4186 4.4186 4.4221 4.4221 4.9951 4.9951 4.9972 4.9972 5.1342 5.1342 5.3277 5.3277 5.3335 5.3335 5.4979 5.4979 5.5244 5.5244 5.6155 5.6155 5.6285 5.6285 10.6073 10.6073 11.0676 11.0676 11.9612 11.9612 11.9839 11.9839 12.2315 12.2315 13.2770 13.2770 13.3692 13.3692 13.3854 13.3854 16.9783 16.9783 k = 0.0000 0.0875-0.0000 ( 4965 PWs) bands (ev): -45.0186 -45.0186 -21.7076 -21.7076 -21.0535 -21.0535 -21.0524 -21.0524 2.6640 2.6640 4.2127 4.2127 4.3303 4.3303 4.3334 4.3334 4.3360 4.3360 4.4217 4.4217 4.4265 4.4265 4.9947 4.9947 4.9976 4.9976 5.1339 5.1339 5.3252 5.3252 5.3330 5.3330 5.4923 5.4923 5.5216 5.5216 5.6085 5.6085 5.6264 5.6264 10.4785 10.4785 11.0732 11.0732 11.9446 11.9446 11.9677 11.9677 12.2809 12.2809 13.2770 13.2770 13.4032 13.4032 13.4196 13.4196 16.9424 16.9424 k = 0.0000 0.1000-0.0000 ( 4957 PWs) bands (ev): -45.0186 -45.0186 -21.7077 -21.7077 -21.0537 -21.0537 -21.0524 -21.0524 2.6879 2.6879 4.2180 4.2180 4.3334 4.3334 4.3373 4.3373 4.3407 4.3407 4.4254 4.4254 4.4317 4.4317 4.9943 4.9943 4.9980 4.9980 5.1335 5.1335 5.3223 5.3223 5.3324 5.3324 5.4857 5.4857 5.5185 5.5185 5.6005 5.6005 5.6241 5.6241 10.3416 10.3416 11.0795 11.0795 11.9263 11.9263 11.9496 11.9496 12.3298 12.3298 13.2769 13.2769 13.4416 13.4416 13.4585 13.4585 16.9017 16.9017 k = 0.0000 0.1125-0.0000 ( 4949 PWs) bands (ev): -45.0185 -45.0185 -21.7078 -21.7078 -21.0541 -21.0541 -21.0524 -21.0524 2.7149 2.7149 4.2240 4.2240 4.3368 4.3368 4.3417 4.3417 4.3460 4.3460 4.4295 4.4295 4.4374 4.4374 4.9938 4.9938 4.9984 4.9984 5.1332 5.1332 5.3191 5.3191 5.3317 5.3317 5.4781 5.4781 5.5150 5.5150 5.5917 5.5917 5.6219 5.6219 10.1981 10.1981 11.0866 11.0866 11.9065 11.9065 11.9301 11.9301 12.3777 12.3777 13.2768 13.2768 13.4844 13.4844 13.5017 13.5017 16.8562 16.8562 k = 0.0000 0.1250-0.0000 ( 4949 PWs) bands (ev): -45.0185 -45.0185 -21.7080 -21.7080 -21.0544 -21.0544 -21.0524 -21.0524 2.7449 2.7449 4.2305 4.2305 4.3405 4.3405 4.3465 4.3465 4.3518 4.3518 4.4341 4.4341 4.4439 4.4439 4.9932 4.9932 4.9988 4.9988 5.1328 5.1328 5.3155 5.3155 5.3308 5.3308 5.4694 5.4694 5.5110 5.5110 5.5820 5.5820 5.6196 5.6196 10.0494 10.0494 11.0945 11.0945 11.8855 11.8855 11.9092 11.9092 12.4245 12.4245 13.2766 13.2766 13.5311 13.5311 13.5492 13.5492 16.8064 16.8064 k = 0.0000 0.1375-0.0000 ( 4953 PWs) bands (ev): -45.0185 -45.0185 -21.7081 -21.7081 -21.0548 -21.0548 -21.0524 -21.0524 2.7780 2.7780 4.2377 4.2377 4.3445 4.3445 4.3518 4.3518 4.3582 4.3582 4.4391 4.4391 4.4510 4.4510 4.9925 4.9925 4.9991 4.9991 5.1324 5.1324 5.3117 5.3117 5.3297 5.3297 5.4598 5.4598 5.5067 5.5067 5.5715 5.5715 5.6175 5.6175 9.8964 9.8964 11.1032 11.1032 11.8634 11.8634 11.8874 11.8874 12.4702 12.4702 13.2763 13.2763 13.5818 13.5818 13.6005 13.6005 16.7524 16.7524 k = 0.0000 0.1500-0.0000 ( 4957 PWs) bands (ev): -45.0185 -45.0185 -21.7083 -21.7083 -21.0552 -21.0552 -21.0523 -21.0523 2.8141 2.8141 4.2455 4.2455 4.3488 4.3488 4.3575 4.3575 4.3651 4.3651 4.4447 4.4447 4.4587 4.4587 4.9918 4.9918 4.9995 4.9995 5.1319 5.1319 5.3076 5.3076 5.3284 5.3284 5.4491 5.4491 5.5020 5.5020 5.5604 5.5604 5.6154 5.6154 9.7400 9.7400 11.1126 11.1126 11.8405 11.8405 11.8647 11.8647 12.5148 12.5148 13.2761 13.2761 13.6362 13.6362 13.6557 13.6557 16.6947 16.6947 k = 0.0000 0.1625-0.0000 ( 4965 PWs) bands (ev): -45.0184 -45.0184 -21.7085 -21.7085 -21.0556 -21.0556 -21.0523 -21.0523 2.8532 2.8532 4.2539 4.2539 4.3533 4.3533 4.3636 4.3636 4.3726 4.3726 4.4507 4.4507 4.4670 4.4670 4.9910 4.9910 4.9997 4.9997 5.1314 5.1314 5.3033 5.3033 5.3269 5.3269 5.4374 5.4374 5.4969 5.4969 5.5487 5.5487 5.6134 5.6134 9.5810 9.5810 11.1228 11.1228 11.8170 11.8170 11.8414 11.8414 12.5585 12.5585 13.2758 13.2758 13.6941 13.6941 13.7144 13.7144 16.6336 16.6336 k = 0.0000 0.1750-0.0000 ( 4973 PWs) bands (ev): -45.0184 -45.0184 -21.7087 -21.7087 -21.0561 -21.0561 -21.0523 -21.0523 2.8952 2.8952 4.2628 4.2628 4.3580 4.3580 4.3701 4.3701 4.3805 4.3805 4.4573 4.4573 4.4759 4.4759 4.9902 4.9902 4.9999 4.9999 5.1309 5.1309 5.2987 5.2987 5.3252 5.3252 5.4248 5.4248 5.4914 5.4914 5.5365 5.5365 5.6116 5.6116 9.4199 9.4199 11.1336 11.1336 11.7931 11.7931 11.8177 11.8177 12.6014 12.6014 13.2754 13.2754 13.7554 13.7554 13.7767 13.7767 16.5696 16.5696 k = 0.0000 0.1875-0.0000 ( 4949 PWs) bands (ev): -45.0184 -45.0184 -21.7089 -21.7089 -21.0565 -21.0565 -21.0522 -21.0522 2.9400 2.9400 4.2722 4.2722 4.3630 4.3630 4.3770 4.3770 4.3890 4.3890 4.4644 4.4644 4.4852 4.4852 4.9894 4.9894 5.0000 5.0000 5.1304 5.1304 5.2940 5.2940 5.3231 5.3231 5.4114 5.4114 5.4855 5.4855 5.5241 5.5241 5.6100 5.6100 9.2574 9.2574 11.1451 11.1451 11.7689 11.7689 11.7936 11.7936 12.6437 12.6437 13.2751 13.2751 13.8200 13.8200 13.8422 13.8422 16.5030 16.5030 k = 0.0000 0.2000-0.0000 ( 4953 PWs) bands (ev): -45.0184 -45.0184 -21.7091 -21.7091 -21.0570 -21.0570 -21.0522 -21.0522 2.9876 2.9876 4.2820 4.2820 4.3681 4.3681 4.3843 4.3843 4.3979 4.3979 4.4720 4.4720 4.4951 4.4951 4.9885 4.9885 4.9999 4.9999 5.1297 5.1297 5.2892 5.2892 5.3206 5.3206 5.3971 5.3971 5.4790 5.4790 5.5117 5.5117 5.6085 5.6085 9.0940 9.0940 11.1572 11.1572 11.7446 11.7446 11.7695 11.7695 12.6854 12.6854 13.2747 13.2747 13.8877 13.8877 13.9110 13.9110 16.4344 16.4344 k = 0.0000 0.2125-0.0000 ( 4957 PWs) bands (ev): -45.0183 -45.0183 -21.7093 -21.7093 -21.0575 -21.0575 -21.0522 -21.0522 3.0379 3.0379 4.2923 4.2923 4.3733 4.3733 4.3919 4.3919 4.4072 4.4072 4.4802 4.4802 4.5054 4.5054 4.9875 4.9875 4.9996 4.9996 5.1290 5.1290 5.2843 5.2843 5.3176 5.3176 5.3821 5.3821 5.4719 5.4719 5.4995 5.4995 5.6071 5.6071 8.9300 8.9300 11.1698 11.1698 11.7203 11.7203 11.7454 11.7454 12.7267 12.7267 13.2744 13.2744 13.9585 13.9585 13.9829 13.9829 16.3640 16.3640 k = 0.0000 0.2250-0.0000 ( 4965 PWs) bands (ev): -45.0183 -45.0183 -21.7095 -21.7095 -21.0580 -21.0580 -21.0522 -21.0522 3.0908 3.0908 4.3030 4.3030 4.3787 4.3787 4.3999 4.3999 4.4170 4.4170 4.4889 4.4889 4.5160 4.5160 4.9866 4.9866 4.9991 4.9991 5.1282 5.1282 5.2794 5.2794 5.3142 5.3142 5.3665 5.3665 5.4640 5.4640 5.4879 5.4879 5.6058 5.6058 8.7659 8.7659 11.1830 11.1830 11.6961 11.6961 11.7214 11.7214 12.7676 12.7676 13.2740 13.2740 14.0323 14.0323 14.0578 14.0578 16.2925 16.2925 k = 0.0000 0.2375-0.0000 ( 4957 PWs) bands (ev): -45.0183 -45.0183 -21.7098 -21.7098 -21.0585 -21.0585 -21.0521 -21.0521 3.1461 3.1461 4.3140 4.3140 4.3842 4.3842 4.4081 4.4081 4.4272 4.4272 4.4983 4.4983 4.5269 4.5269 4.9858 4.9858 4.9984 4.9984 5.1273 5.1273 5.2745 5.2745 5.3102 5.3102 5.3504 5.3504 5.4549 5.4549 5.4774 5.4774 5.6047 5.6047 8.6020 8.6020 11.1966 11.1966 11.6723 11.6723 11.6977 11.6977 12.8081 12.8081 13.2736 13.2736 14.1089 14.1089 14.1356 14.1356 16.2201 16.2201 k = 0.0000 0.2500-0.0000 ( 4957 PWs) bands (ev): -45.0182 -45.0182 -21.7100 -21.7100 -21.0590 -21.0590 -21.0521 -21.0521 3.2038 3.2038 4.3253 4.3253 4.3897 4.3897 4.4168 4.4168 4.4378 4.4378 4.5083 4.5083 4.5380 4.5380 4.9850 4.9850 4.9974 4.9974 5.1263 5.1263 5.2698 5.2698 5.3055 5.3055 5.3338 5.3338 5.4446 5.4446 5.4683 5.4683 5.6037 5.6037 8.4386 8.4386 11.2106 11.2106 11.6488 11.6488 11.6743 11.6743 12.8484 12.8484 13.2732 13.2732 14.1882 14.1882 14.2162 14.2162 16.1475 16.1475 k = 0.0000 0.2625-0.0000 ( 4973 PWs) bands (ev): -45.0182 -45.0182 -21.7102 -21.7102 -21.0596 -21.0596 -21.0521 -21.0521 3.2636 3.2636 4.3367 4.3367 4.3953 4.3953 4.4258 4.4258 4.4488 4.4488 4.5189 4.5189 4.5492 4.5492 4.9843 4.9843 4.9960 4.9960 5.1250 5.1250 5.2652 5.2652 5.3000 5.3000 5.3169 5.3169 5.4334 5.4334 5.4604 5.4604 5.6027 5.6027 8.2761 8.2761 11.2249 11.2249 11.6258 11.6258 11.6514 11.6514 12.8882 12.8882 13.2728 13.2728 14.2702 14.2702 14.2995 14.2995 16.0750 16.0750 k = 0.0000 0.2750-0.0000 ( 4969 PWs) bands (ev): -45.0182 -45.0182 -21.7104 -21.7104 -21.0601 -21.0601 -21.0520 -21.0520 3.3254 3.3254 4.3482 4.3482 4.4009 4.4009 4.4353 4.4353 4.4601 4.4601 4.5304 4.5304 4.5604 4.5604 4.9837 4.9837 4.9942 4.9942 5.1235 5.1235 5.2608 5.2608 5.2939 5.2939 5.2998 5.2998 5.4218 5.4218 5.4534 5.4534 5.6019 5.6019 8.1146 8.1146 11.2395 11.2395 11.6034 11.6034 11.6292 11.6292 12.9277 12.9277 13.2724 13.2724 14.3547 14.3547 14.3854 14.3854 16.0031 16.0031 k = 0.0000 0.2875-0.0000 ( 4969 PWs) bands (ev): -45.0181 -45.0181 -21.7107 -21.7107 -21.0606 -21.0606 -21.0520 -21.0520 3.3889 3.3889 4.3597 4.3597 4.4065 4.4065 4.4453 4.4453 4.4717 4.4717 4.5425 4.5425 4.5716 4.5716 4.9833 4.9833 4.9921 4.9921 5.1217 5.1217 5.2564 5.2564 5.2830 5.2830 5.2870 5.2870 5.4102 5.4102 5.4471 5.4471 5.6012 5.6012 7.9545 7.9545 11.2543 11.2543 11.5817 11.5817 11.6075 11.6075 12.9666 12.9666 13.2721 13.2721 14.4416 14.4416 14.4738 14.4738 15.9322 15.9322 k = 0.0000 0.3000-0.0000 ( 4981 PWs) bands (ev): -45.0181 -45.0181 -21.7109 -21.7109 -21.0611 -21.0611 -21.0520 -21.0520 3.4537 3.4537 4.3710 4.3710 4.4121 4.4121 4.4559 4.4559 4.4835 4.4835 4.5556 4.5556 4.5826 4.5826 4.9831 4.9831 4.9894 4.9894 5.1195 5.1195 5.2511 5.2511 5.2675 5.2675 5.2795 5.2795 5.3987 5.3987 5.4414 5.4414 5.6005 5.6005 7.7960 7.7960 11.2691 11.2691 11.5608 11.5608 11.5867 11.5867 13.0049 13.0049 13.2717 13.2717 14.5309 14.5309 14.5646 14.5646 15.8628 15.8628 k = 0.0000 0.3125-0.0000 ( 4977 PWs) bands (ev): -45.0181 -45.0181 -21.7111 -21.7111 -21.0615 -21.0615 -21.0520 -21.0520 3.5195 3.5195 4.3820 4.3820 4.4176 4.4176 4.4674 4.4674 4.4956 4.4956 4.5695 4.5695 4.5933 4.5933 4.9831 4.9831 4.9862 4.9862 5.1169 5.1169 5.2412 5.2412 5.2575 5.2575 5.2715 5.2715 5.3876 5.3876 5.4362 5.4362 5.5999 5.5999 7.6392 7.6392 11.2839 11.2839 11.5407 11.5407 11.5667 11.5667 13.0425 13.0425 13.2713 13.2713 14.6223 14.6223 14.6578 14.6578 15.7951 15.7951 k = 0.0000 0.3250-0.0000 ( 4969 PWs) bands (ev): -45.0180 -45.0180 -21.7113 -21.7113 -21.0620 -21.0620 -21.0519 -21.0519 3.5859 3.5859 4.3925 4.3925 4.4230 4.4230 4.4797 4.4797 4.5079 4.5079 4.5845 4.5845 4.6037 4.6037 4.9826 4.9826 4.9835 4.9835 5.1138 5.1138 5.2260 5.2260 5.2537 5.2537 5.2632 5.2632 5.3767 5.3767 5.4316 5.4316 5.5994 5.5994 7.4844 7.4844 11.2985 11.2985 11.5216 11.5216 11.5476 11.5476 13.0792 13.0792 13.2709 13.2709 14.7157 14.7157 14.7531 14.7531 15.7297 15.7297 k = 0.0000 0.3375-0.0000 ( 4977 PWs) bands (ev): -45.0180 -45.0180 -21.7115 -21.7115 -21.0624 -21.0624 -21.0519 -21.0519 3.6523 3.6523 4.4024 4.4024 4.4283 4.4283 4.4932 4.4932 4.5203 4.5203 4.6007 4.6007 4.6136 4.6136 4.9783 4.9783 4.9841 4.9841 5.1100 5.1100 5.2096 5.2096 5.2526 5.2526 5.2548 5.2548 5.3662 5.3662 5.4275 5.4275 5.5989 5.5989 7.3319 7.3319 11.3129 11.3129 11.5035 11.5035 11.5296 11.5296 13.1148 13.1148 13.2706 13.2706 14.8110 14.8110 14.8503 14.8503 15.6669 15.6669 k = 0.0000 0.3500-0.0000 ( 4969 PWs) bands (ev): -45.0180 -45.0180 -21.7117 -21.7117 -21.0629 -21.0629 -21.0519 -21.0519 3.7180 3.7180 4.4116 4.4116 4.4334 4.4334 4.5078 4.5078 4.5327 4.5327 4.6183 4.6183 4.6229 4.6229 4.9736 4.9736 4.9850 4.9850 5.1057 5.1057 5.1931 5.1931 5.2467 5.2467 5.2533 5.2533 5.3560 5.3560 5.4239 5.4239 5.5985 5.5985 7.1818 7.1818 11.3269 11.3269 11.4865 11.4865 11.5125 11.5125 13.1491 13.1491 13.2703 13.2703 14.9079 14.9079 14.9495 14.9495 15.6071 15.6071 k = 0.0000 0.3625-0.0000 ( 4977 PWs) bands (ev): -45.0180 -45.0180 -21.7119 -21.7119 -21.0633 -21.0633 -21.0519 -21.0519 3.7821 3.7821 4.4200 4.4200 4.4382 4.4382 4.5235 4.5235 4.5451 4.5451 4.6315 4.6315 4.6375 4.6375 4.9683 4.9683 4.9863 4.9863 5.1006 5.1006 5.1770 5.1770 5.2389 5.2389 5.2559 5.2559 5.3461 5.3461 5.4208 5.4208 5.5981 5.5981 7.0343 7.0343 11.3404 11.3404 11.4706 11.4706 11.4967 11.4967 13.1819 13.1819 13.2699 13.2699 15.0062 15.0062 15.0502 15.0502 15.5507 15.5507 k = 0.0000 0.3750-0.0000 ( 4985 PWs) bands (ev): -45.0179 -45.0179 -21.7120 -21.7120 -21.0636 -21.0636 -21.0518 -21.0518 3.8439 3.8439 4.4276 4.4276 4.4429 4.4429 4.5401 4.5401 4.5573 4.5573 4.6393 4.6393 4.6586 4.6586 4.9627 4.9627 4.9878 4.9878 5.0950 5.0950 5.1615 5.1615 5.2318 5.2318 5.2607 5.2607 5.3366 5.3366 5.4181 5.4181 5.5978 5.5978 6.8897 6.8897 11.3533 11.3533 11.4560 11.4560 11.4820 11.4820 13.2130 13.2130 13.2697 13.2697 15.1055 15.1055 15.1521 15.1521 15.4980 15.4980 k = 0.0000 0.3875-0.0000 ( 4981 PWs) bands (ev): -45.0179 -45.0179 -21.7122 -21.7122 -21.0640 -21.0640 -21.0518 -21.0518 3.9022 3.9022 4.4343 4.4343 4.4472 4.4472 4.5575 4.5575 4.5694 4.5694 4.6463 4.6463 4.6819 4.6819 4.9568 4.9568 4.9895 4.9895 5.0889 5.0889 5.1467 5.1467 5.2255 5.2255 5.2683 5.2683 5.3274 5.3274 5.4159 5.4159 5.5975 5.5975 6.7483 6.7483 11.3653 11.3653 11.4427 11.4427 11.4685 11.4685 13.2421 13.2421 13.2694 13.2694 15.2054 15.2054 15.2548 15.2548 15.4496 15.4496 k = 0.0000 0.4000-0.0000 ( 4981 PWs) bands (ev): -45.0179 -45.0179 -21.7123 -21.7123 -21.0643 -21.0643 -21.0518 -21.0518 3.9562 3.9562 4.4403 4.4403 4.4512 4.4512 4.5750 4.5750 4.5811 4.5811 4.6524 4.6524 4.7073 4.7073 4.9509 4.9509 4.9914 4.9914 5.0825 5.0825 5.1327 5.1327 5.2201 5.2201 5.2794 5.2794 5.3186 5.3186 5.4139 5.4139 5.5973 5.5973 6.6104 6.6104 11.3763 11.3763 11.4309 11.4309 11.4563 11.4563 13.2690 13.2690 13.2691 13.2691 15.3052 15.3052 15.3554 15.3554 15.4080 15.4080 k = 0.0000 0.4125-0.0000 ( 4981 PWs) bands (ev): -45.0179 -45.0179 -21.7125 -21.7125 -21.0646 -21.0646 -21.0518 -21.0518 4.0047 4.0047 4.4455 4.4455 4.4549 4.4549 4.5923 4.5923 4.5923 4.5923 4.6575 4.6575 4.7345 4.7345 4.9454 4.9454 4.9933 4.9933 5.0761 5.0761 5.1196 5.1196 5.2155 5.2155 5.2950 5.2950 5.3104 5.3104 5.4123 5.4123 5.5971 5.5971 6.4763 6.4763 11.3859 11.3859 11.4208 11.4208 11.4455 11.4455 13.2689 13.2689 13.2934 13.2934 15.3619 15.3619 15.4042 15.4042 15.4648 15.4648 k = 0.0000 0.4250-0.0000 ( 4982 PWs) bands (ev): -45.0178 -45.0178 -21.7126 -21.7126 -21.0648 -21.0648 -21.0518 -21.0518 4.0471 4.0471 4.4499 4.4499 4.4581 4.4581 4.6030 4.6030 4.6087 4.6087 4.6615 4.6615 4.7622 4.7622 4.9410 4.9410 4.9951 4.9951 5.0699 5.0699 5.1076 5.1076 5.2117 5.2117 5.3029 5.3029 5.3164 5.3164 5.4110 5.4110 5.5969 5.5969 6.3465 6.3465 11.3931 11.3931 11.4134 11.4134 11.4360 11.4360 13.2687 13.2687 13.3152 13.3152 15.3278 15.3278 15.5012 15.5012 15.5659 15.5659 k = 0.0000 0.4375-0.0000 ( 4974 PWs) bands (ev): -45.0178 -45.0178 -21.7127 -21.7127 -21.0650 -21.0650 -21.0518 -21.0518 4.0829 4.0829 4.4537 4.4537 4.4609 4.4609 4.6128 4.6128 4.6239 4.6239 4.6646 4.6646 4.7884 4.7884 4.9387 4.9387 4.9966 4.9966 5.0644 5.0644 5.0967 5.0967 5.2086 5.2086 5.2961 5.2961 5.3450 5.3450 5.4100 5.4100 5.5968 5.5968 6.2217 6.2217 11.3948 11.3948 11.4117 11.4117 11.4279 11.4279 13.2686 13.2686 13.3340 13.3340 15.2978 15.2978 15.5946 15.5946 15.6652 15.6652 k = 0.0000 0.4500-0.0000 ( 4966 PWs) bands (ev): -45.0178 -45.0178 -21.7127 -21.7127 -21.0652 -21.0652 -21.0517 -21.0517 4.1119 4.1119 4.4568 4.4568 4.4633 4.4633 4.6216 4.6216 4.6372 4.6372 4.6666 4.6666 4.8104 4.8104 4.9394 4.9394 4.9978 4.9978 5.0598 5.0598 5.0870 5.0870 5.2062 5.2062 5.2903 5.2903 5.3822 5.3822 5.4092 5.4092 5.5967 5.5967 6.1026 6.1026 11.3912 11.3912 11.4153 11.4153 11.4213 11.4213 13.2684 13.2684 13.3498 13.3498 15.2729 15.2729 15.6817 15.6817 15.7596 15.7596 k = 0.0000 0.4625-0.0000 ( 4966 PWs) bands (ev): -45.0178 -45.0178 -21.7128 -21.7128 -21.0653 -21.0653 -21.0517 -21.0517 4.1341 4.1341 4.4591 4.4591 4.4652 4.4652 4.6291 4.6291 4.6483 4.6483 4.6677 4.6677 4.8260 4.8260 4.9437 4.9437 4.9985 4.9985 5.0562 5.0562 5.0786 5.0786 5.2045 5.2045 5.2856 5.2856 5.4085 5.4085 5.4285 5.4285 5.5967 5.5967 5.9908 5.9908 11.3870 11.3870 11.4161 11.4161 11.4196 11.4196 13.2683 13.2683 13.3622 13.3622 15.2534 15.2534 15.7591 15.7591 15.8452 15.8452 k = 0.0000 0.4750-0.0000 ( 4962 PWs) bands (ev): -45.0178 -45.0178 -21.7128 -21.7128 -21.0654 -21.0654 -21.0517 -21.0517 4.1498 4.1498 4.4608 4.4608 4.4665 4.4665 4.6350 4.6350 4.6567 4.6567 4.6681 4.6681 4.8350 4.8350 4.9501 4.9501 4.9989 4.9989 5.0537 5.0537 5.0719 5.0719 5.2032 5.2032 5.2821 5.2821 5.4081 5.4081 5.4826 5.4826 5.5968 5.5968 5.8889 5.8889 11.3837 11.3837 11.4124 11.4124 11.4231 11.4231 13.2682 13.2682 13.3712 13.3712 15.2393 15.2393 15.8216 15.8216 15.9162 15.9162 k = 0.0000 0.4875-0.0000 ( 4950 PWs) bands (ev): -45.0178 -45.0178 -21.7129 -21.7129 -21.0655 -21.0655 -21.0517 -21.0517 4.1591 4.1591 4.4619 4.4619 4.4673 4.4673 4.6389 4.6389 4.6620 4.6620 4.6681 4.6681 4.8392 4.8392 4.9558 4.9558 4.9990 4.9990 5.0523 5.0523 5.0675 5.0675 5.2025 5.2025 5.2799 5.2799 5.4079 5.4079 5.5372 5.5372 5.5975 5.5975 5.8049 5.8049 11.3816 11.3816 11.4101 11.4101 11.4253 11.4253 13.2682 13.2682 13.3766 13.3766 15.2308 15.2308 15.8630 15.8630 15.9647 15.9647 k = 0.0000 0.5000-0.0000 ( 4950 PWs) bands (ev): -45.0178 -45.0178 -21.7129 -21.7129 -21.0655 -21.0655 -21.0517 -21.0517 4.1622 4.1622 4.4622 4.4622 4.4676 4.4676 4.6403 4.6403 4.6638 4.6638 4.6680 4.6680 4.8403 4.8403 4.9581 4.9581 4.9990 4.9990 5.0518 5.0518 5.0659 5.0659 5.2023 5.2023 5.2792 5.2792 5.4078 5.4078 5.5651 5.5651 5.5989 5.5989 5.7659 5.7659 11.3809 11.3809 11.4094 11.4094 11.4260 11.4260 13.2682 13.2682 13.3784 13.3784 15.2279 15.2279 15.8776 15.8776 15.9821 15.9821 k = 0.0000 0.5000-0.0000 ( 4950 PWs) bands (ev): -45.0178 -45.0178 -21.7129 -21.7129 -21.0655 -21.0655 -21.0517 -21.0517 4.1622 4.1622 4.4622 4.4622 4.4676 4.4676 4.6403 4.6403 4.6638 4.6638 4.6680 4.6680 4.8403 4.8403 4.9581 4.9581 4.9990 4.9990 5.0518 5.0518 5.0659 5.0659 5.2023 5.2023 5.2792 5.2792 5.4078 5.4078 5.5651 5.5651 5.5989 5.5989 5.7659 5.7659 11.3809 11.3809 11.4094 11.4094 11.4260 11.4260 13.2682 13.2682 13.3784 13.3784 15.2279 15.2279 15.8776 15.8776 15.9821 15.9821 k = 0.0125 0.5000-0.0000 ( 4950 PWs) bands (ev): -45.0178 -45.0178 -21.7129 -21.7129 -21.0655 -21.0655 -21.0517 -21.0517 4.1630 4.1630 4.4625 4.4625 4.4678 4.4678 4.6402 4.6402 4.6639 4.6639 4.6680 4.6680 4.8404 4.8404 4.9579 4.9579 4.9989 4.9989 5.0494 5.0494 5.0681 5.0681 5.2020 5.2020 5.2792 5.2792 5.4074 5.4074 5.5656 5.5656 5.5986 5.5986 5.7686 5.7686 11.3786 11.3786 11.4076 11.4076 11.4250 11.4250 13.2649 13.2649 13.3786 13.3786 15.2281 15.2281 15.8735 15.8735 15.9791 15.9791 k = 0.0250 0.5000-0.0000 ( 4964 PWs) bands (ev): -45.0178 -45.0178 -21.7129 -21.7129 -21.0655 -21.0655 -21.0518 -21.0518 4.1656 4.1656 4.4634 4.4634 4.4682 4.4682 4.6400 4.6400 4.6644 4.6644 4.6680 4.6680 4.8407 4.8407 4.9572 4.9572 4.9987 4.9987 5.0442 5.0442 5.0724 5.0724 5.2012 5.2012 5.2790 5.2790 5.4062 5.4062 5.5670 5.5670 5.5976 5.5976 5.7765 5.7765 11.3685 11.3685 11.4050 11.4050 11.4221 11.4221 13.2551 13.2551 13.3793 13.3793 15.2285 15.2285 15.8542 15.8542 15.9777 15.9777 k = 0.0375 0.5000-0.0000 ( 4970 PWs) bands (ev): -45.0178 -45.0178 -21.7129 -21.7129 -21.0655 -21.0655 -21.0518 -21.0518 4.1698 4.1698 4.4650 4.4650 4.4690 4.4690 4.6396 4.6396 4.6650 4.6650 4.6680 4.6680 4.8412 4.8412 4.9562 4.9562 4.9983 4.9983 5.0381 5.0381 5.0770 5.0770 5.1999 5.1999 5.2788 5.2788 5.4044 5.4044 5.5694 5.5694 5.5962 5.5962 5.7895 5.7895 11.3466 11.3466 11.4053 11.4053 11.4179 11.4179 13.2391 13.2391 13.3805 13.3805 15.2285 15.2285 15.8087 15.8087 15.9908 15.9908 k = 0.0500 0.5000-0.0000 ( 4970 PWs) bands (ev): -45.0178 -45.0178 -21.7130 -21.7130 -21.0656 -21.0656 -21.0519 -21.0519 4.1756 4.1756 4.4671 4.4671 4.4702 4.4702 4.6391 4.6391 4.6659 4.6659 4.6681 4.6681 4.8419 4.8419 4.9546 4.9546 4.9976 4.9976 5.0318 5.0318 5.0814 5.0814 5.1984 5.1984 5.2785 5.2785 5.4019 5.4019 5.5722 5.5722 5.5948 5.5948 5.8072 5.8072 11.3134 11.3134 11.4049 11.4049 11.4159 11.4159 13.2173 13.2173 13.3821 13.3821 15.2269 15.2269 15.7387 15.7387 16.0195 16.0195 k = 0.0625 0.5000-0.0000 ( 4970 PWs) bands (ev): -45.0178 -45.0178 -21.7130 -21.7130 -21.0656 -21.0656 -21.0520 -21.0520 4.1831 4.1831 4.4698 4.4698 4.4717 4.4717 4.6384 4.6384 4.6667 4.6667 4.6684 4.6684 4.8428 4.8428 4.9526 4.9526 4.9968 4.9968 5.0255 5.0255 5.0854 5.0854 5.1968 5.1968 5.2781 5.2781 5.3989 5.3989 5.5744 5.5744 5.5946 5.5946 5.8293 5.8293 11.2700 11.2700 11.3975 11.3975 11.4209 11.4209 13.1901 13.1901 13.3842 13.3842 15.2224 15.2224 15.6504 15.6504 16.0603 16.0603 k = 0.0750 0.5000-0.0000 ( 4974 PWs) bands (ev): -45.0178 -45.0178 -21.7131 -21.7131 -21.0656 -21.0656 -21.0522 -21.0522 4.1921 4.1921 4.4729 4.4729 4.4737 4.4737 4.6375 4.6375 4.6672 4.6672 4.6693 4.6693 4.8439 4.8439 4.9501 4.9501 4.9955 4.9955 5.0197 5.0197 5.0888 5.0888 5.1953 5.1953 5.2775 5.2775 5.3954 5.3954 5.5741 5.5741 5.5976 5.5976 5.8556 5.8556 11.2174 11.2174 11.3859 11.3859 11.4297 11.4297 13.1582 13.1582 13.3866 13.3866 15.2132 15.2132 15.5491 15.5491 16.1109 16.1109 k = 0.0875 0.5000-0.0000 ( 4974 PWs) bands (ev): -45.0177 -45.0177 -21.7132 -21.7132 -21.0656 -21.0656 -21.0523 -21.0523 4.2026 4.2026 4.4753 4.4753 4.4774 4.4774 4.6364 4.6364 4.6673 4.6673 4.6707 4.6707 4.8452 4.8452 4.9471 4.9471 4.9937 4.9937 5.0146 5.0146 5.0918 5.0918 5.1940 5.1940 5.2767 5.2767 5.3916 5.3916 5.5709 5.5709 5.6043 5.6043 5.8857 5.8857 11.1564 11.1564 11.3713 11.3713 11.4405 11.4405 13.1221 13.1221 13.3894 13.3894 15.1977 15.1977 15.4387 15.4387 16.1695 16.1695 k = 0.1000 0.5000-0.0000 ( 4978 PWs) bands (ev): -45.0177 -45.0177 -21.7133 -21.7133 -21.0657 -21.0657 -21.0525 -21.0525 4.2146 4.2146 4.4777 4.4777 4.4819 4.4819 4.6352 4.6352 4.6673 4.6673 4.6722 4.6722 4.8466 4.8466 4.9435 4.9435 4.9910 4.9910 5.0108 5.0108 5.0943 5.0943 5.1932 5.1932 5.2758 5.2758 5.3874 5.3874 5.5657 5.5657 5.6137 5.6137 5.9194 5.9194 11.0875 11.0875 11.3535 11.3535 11.4532 11.4532 13.0825 13.0825 13.3926 13.3926 15.1743 15.1743 15.3224 15.3224 16.2222 16.2222 k = 0.1125 0.5000-0.0000 ( 4966 PWs) bands (ev): -45.0177 -45.0177 -21.7134 -21.7134 -21.0657 -21.0657 -21.0527 -21.0527 4.2279 4.2279 4.4804 4.4804 4.4870 4.4870 4.6338 4.6338 4.6673 4.6673 4.6739 4.6739 4.8483 4.8483 4.9394 4.9394 4.9874 4.9874 5.0082 5.0082 5.0963 5.0963 5.1929 5.1929 5.2745 5.2745 5.3828 5.3828 5.5593 5.5593 5.6252 5.6252 5.9564 5.9564 11.0114 11.0114 11.3323 11.3323 11.4674 11.4674 13.0399 13.0399 13.3961 13.3961 15.1424 15.1424 15.2030 15.2030 16.2038 16.2038 k = 0.1250 0.5000-0.0000 ( 4962 PWs) bands (ev): -45.0177 -45.0177 -21.7135 -21.7135 -21.0658 -21.0658 -21.0529 -21.0529 4.2424 4.2424 4.4834 4.4834 4.4927 4.4927 4.6322 4.6322 4.6672 4.6672 4.6756 4.6756 4.8501 4.8501 4.9348 4.9348 4.9833 4.9833 5.0068 5.0068 5.0978 5.0978 5.1932 5.1932 5.2731 5.2731 5.3779 5.3779 5.5519 5.5519 5.6385 5.6385 5.9966 5.9966 10.9287 10.9287 11.3074 11.3074 11.4832 11.4832 12.9950 12.9950 13.3998 13.3998 15.0813 15.0813 15.1037 15.1037 16.1928 16.1928 k = 0.1375 0.5000-0.0000 ( 4958 PWs) bands (ev): -45.0177 -45.0177 -21.7136 -21.7136 -21.0658 -21.0658 -21.0532 -21.0532 4.2581 4.2581 4.4867 4.4867 4.4990 4.4990 4.6304 4.6304 4.6672 4.6672 4.6773 4.6773 4.8520 4.8520 4.9298 4.9298 4.9790 4.9790 5.0062 5.0062 5.0991 5.0991 5.1940 5.1940 5.2713 5.2713 5.3727 5.3727 5.5438 5.5438 5.6536 5.6536 6.0400 6.0400 10.8402 10.8402 11.2783 11.2783 11.5003 11.5003 12.9484 12.9484 13.4037 13.4037 14.9623 14.9623 15.0563 15.0563 16.1973 16.1973 k = 0.1500 0.5000-0.0000 ( 4958 PWs) bands (ev): -45.0176 -45.0176 -21.7138 -21.7138 -21.0659 -21.0659 -21.0534 -21.0534 4.2748 4.2748 4.4902 4.4902 4.5058 4.5058 4.6283 4.6283 4.6671 4.6671 4.6789 4.6789 4.8541 4.8541 4.9245 4.9245 4.9751 4.9751 5.0061 5.0061 5.1001 5.1001 5.1954 5.1954 5.2693 5.2693 5.3672 5.3672 5.5349 5.5349 5.6702 5.6702 6.0863 6.0863 10.7464 10.7464 11.2447 11.2447 11.5187 11.5187 12.9004 12.9004 13.4078 13.4078 14.8452 14.8452 15.0041 15.0041 16.2156 16.2156 k = 0.1625 0.5000-0.0000 ( 4958 PWs) bands (ev): -45.0176 -45.0176 -21.7139 -21.7139 -21.0660 -21.0660 -21.0536 -21.0536 4.2924 4.2924 4.4940 4.4940 4.5132 4.5132 4.6261 4.6261 4.6669 4.6669 4.6804 4.6804 4.8562 4.8562 4.9191 4.9191 4.9716 4.9716 5.0064 5.0064 5.1009 5.1009 5.1972 5.1972 5.2670 5.2670 5.3615 5.3615 5.5254 5.5254 5.6885 5.6885 6.1355 6.1355 10.6479 10.6479 11.2062 11.2062 11.5383 11.5383 12.8515 12.8515 13.4119 13.4119 14.7320 14.7320 14.9485 14.9485 16.2458 16.2458 k = 0.1750 0.5000-0.0000 ( 4966 PWs) bands (ev): -45.0176 -45.0176 -21.7141 -21.7141 -21.0660 -21.0660 -21.0539 -21.0539 4.3106 4.3106 4.4981 4.4981 4.5210 4.5210 4.6237 4.6237 4.6668 4.6668 4.6818 4.6818 4.8584 4.8584 4.9137 4.9137 4.9687 4.9687 5.0068 5.0068 5.1016 5.1016 5.1994 5.1994 5.2644 5.2644 5.3554 5.3554 5.5154 5.5154 5.7084 5.7084 6.1876 6.1876 10.5455 10.5455 11.1625 11.1625 11.5590 11.5590 12.8022 12.8022 13.4160 13.4160 14.6238 14.6238 14.8909 14.8909 16.2860 16.2860 k = 0.1875 0.5000-0.0000 ( 4962 PWs) bands (ev): -45.0176 -45.0176 -21.7142 -21.7142 -21.0661 -21.0661 -21.0541 -21.0541 4.3293 4.3293 4.5023 4.5023 4.5294 4.5294 4.6211 4.6211 4.6667 4.6667 4.6831 4.6831 4.8606 4.8606 4.9085 4.9085 4.9664 4.9664 5.0075 5.0075 5.1023 5.1023 5.2019 5.2019 5.2614 5.2614 5.3491 5.3491 5.5048 5.5048 5.7299 5.7299 6.2425 6.2425 10.4396 10.4396 11.1131 11.1131 11.5806 11.5806 12.7528 12.7528 13.4200 13.4200 14.5217 14.5217 14.8327 14.8327 16.3346 16.3346 k = 0.2000 0.5000-0.0000 ( 4978 PWs) bands (ev): -45.0175 -45.0175 -21.7144 -21.7144 -21.0663 -21.0663 -21.0544 -21.0544 4.3483 4.3483 4.5068 4.5068 4.5383 4.5383 4.6183 4.6183 4.6666 4.6666 4.6842 4.6842 4.8626 4.8626 4.9038 4.9038 4.9648 4.9648 5.0084 5.0084 5.1030 5.1030 5.2047 5.2047 5.2582 5.2582 5.3425 5.3425 5.4939 5.4939 5.7530 5.7530 6.3002 6.3002 10.3309 10.3309 11.0579 11.0579 11.6031 11.6031 12.7036 12.7036 13.4239 13.4239 14.4264 14.4264 14.7747 14.7747 16.3901 16.3901 k = 0.2125 0.5000-0.0000 ( 4966 PWs) bands (ev): -45.0175 -45.0175 -21.7145 -21.7145 -21.0664 -21.0664 -21.0546 -21.0546 4.3673 4.3673 4.5115 4.5115 4.5477 4.5477 4.6153 4.6153 4.6666 4.6666 4.6852 4.6852 4.8645 4.8645 4.8999 4.8999 4.9639 4.9639 5.0093 5.0093 5.1038 5.1038 5.2077 5.2077 5.2546 5.2546 5.3356 5.3356 5.4826 5.4826 5.7776 5.7776 6.3606 6.3606 10.2199 10.2199 10.9965 10.9965 11.6262 11.6262 12.6549 12.6549 13.4274 13.4274 14.3386 14.3386 14.7179 14.7179 16.4516 16.4516 k = 0.2250 0.5000-0.0000 ( 4978 PWs) bands (ev): -45.0175 -45.0175 -21.7147 -21.7147 -21.0665 -21.0665 -21.0549 -21.0549 4.3862 4.3862 4.5164 4.5164 4.5575 4.5575 4.6122 4.6122 4.6666 4.6666 4.6860 4.6860 4.8659 4.8659 4.8970 4.8970 4.9636 4.9636 5.0103 5.0103 5.1045 5.1045 5.2108 5.2108 5.2507 5.2507 5.3286 5.3286 5.4710 5.4710 5.8040 5.8040 6.4237 6.4237 10.1071 10.1071 10.9290 10.9290 11.6499 11.6499 12.6070 12.6070 13.4306 13.4306 14.2587 14.2587 14.6626 14.6626 16.5182 16.5182 k = 0.2375 0.5000-0.0000 ( 4974 PWs) bands (ev): -45.0175 -45.0175 -21.7149 -21.7149 -21.0667 -21.0667 -21.0551 -21.0551 4.4046 4.4046 4.5214 4.5214 4.5677 4.5677 4.6091 4.6091 4.6666 4.6666 4.6868 4.6868 4.8668 4.8668 4.8955 4.8955 4.9639 4.9639 5.0114 5.0114 5.1053 5.1053 5.2139 5.2139 5.2464 5.2464 5.3214 5.3214 5.4591 5.4591 5.8319 5.8319 6.4895 6.4895 9.9930 9.9930 10.8553 10.8553 11.6740 11.6740 12.5600 12.5600 13.4333 13.4333 14.1870 14.1870 14.6092 14.6092 16.5893 16.5893 k = 0.2500 0.5000-0.0000 ( 4982 PWs) bands (ev): -45.0174 -45.0174 -21.7151 -21.7151 -21.0668 -21.0668 -21.0553 -21.0553 4.4223 4.4223 4.5265 4.5265 4.5781 4.5781 4.6060 4.6060 4.6668 4.6668 4.6874 4.6874 4.8672 4.8672 4.8955 4.8955 4.9648 4.9648 5.0126 5.0126 5.1062 5.1062 5.2171 5.2171 5.2418 5.2418 5.3140 5.3140 5.4472 5.4472 5.8615 5.8615 6.5580 6.5580 9.8781 9.8781 10.7755 10.7755 11.6984 11.6984 12.5143 12.5143 13.4354 13.4354 14.1237 14.1237 14.5581 14.5581 16.6642 16.6642 k = 0.2625 0.5000-0.0000 ( 4974 PWs) bands (ev): -45.0174 -45.0174 -21.7152 -21.7152 -21.0670 -21.0670 -21.0555 -21.0555 4.4390 4.4390 4.5316 4.5316 4.5883 4.5883 4.6032 4.6032 4.6672 4.6672 4.6880 4.6880 4.8675 4.8675 4.8969 4.8969 4.9662 4.9662 5.0138 5.0138 5.1070 5.1070 5.2201 5.2201 5.2368 5.2368 5.3067 5.3067 5.4352 5.4352 5.8927 5.8927 6.6291 6.6291 9.7629 9.7629 10.6899 10.6899 11.7229 11.7229 12.4698 12.4698 13.4370 13.4370 14.0685 14.0685 14.5094 14.5094 16.7427 16.7427 k = 0.2750 0.5000-0.0000 ( 4974 PWs) bands (ev): -45.0174 -45.0174 -21.7154 -21.7154 -21.0672 -21.0672 -21.0557 -21.0557 4.4546 4.4546 4.5367 4.5367 4.5957 4.5957 4.6031 4.6031 4.6678 4.6678 4.6886 4.6886 4.8680 4.8680 4.8994 4.8994 4.9681 4.9681 5.0150 5.0150 5.1079 5.1079 5.2230 5.2230 5.2315 5.2315 5.2993 5.2993 5.4231 5.4231 5.9256 5.9256 6.7028 6.7028 9.6478 9.6478 10.5987 10.5987 11.7474 11.7474 12.4269 12.4269 13.4379 13.4379 14.0213 14.0213 14.4631 14.4631 16.8242 16.8242 k = 0.2875 0.5000-0.0000 ( 4966 PWs) bands (ev): -45.0173 -45.0173 -21.7156 -21.7156 -21.0674 -21.0674 -21.0559 -21.0559 4.4689 4.4689 4.5417 4.5417 4.5950 4.5950 4.6111 4.6111 4.6687 4.6687 4.6892 4.6892 4.8693 4.8693 4.9028 4.9028 4.9703 4.9703 5.0163 5.0163 5.1087 5.1087 5.2243 5.2243 5.2271 5.2271 5.2922 5.2922 5.4112 5.4112 5.9602 5.9602 6.7792 6.7792 9.5333 9.5333 10.5024 10.5024 11.7718 11.7718 12.3857 12.3857 13.4383 13.4383 13.9817 13.9817 14.4194 14.4194 16.9085 16.9085 k = 0.3000 0.5000-0.0000 ( 4960 PWs) bands (ev): -45.0173 -45.0173 -21.7157 -21.7157 -21.0676 -21.0676 -21.0561 -21.0561 4.4818 4.4818 4.5465 4.5465 4.5925 4.5925 4.6204 4.6204 4.6700 4.6700 4.6899 4.6899 4.8716 4.8716 4.9069 4.9069 4.9729 4.9729 5.0176 5.0176 5.1093 5.1093 5.2190 5.2190 5.2283 5.2283 5.2854 5.2854 5.3995 5.3995 5.9963 5.9963 6.8581 6.8581 9.4198 9.4198 10.4015 10.4015 11.7958 11.7958 12.3462 12.3462 13.4382 13.4382 13.9490 13.9490 14.3783 14.3783 16.9946 16.9946 k = 0.3125 0.5000-0.0000 ( 4964 PWs) bands (ev): -45.0173 -45.0173 -21.7159 -21.7159 -21.0678 -21.0678 -21.0562 -21.0562 4.4933 4.4933 4.5510 4.5510 4.5901 4.5901 4.6289 4.6289 4.6718 4.6718 4.6907 4.6907 4.8752 4.8752 4.9116 4.9116 4.9758 4.9758 5.0188 5.0188 5.1099 5.1099 5.2123 5.2123 5.2297 5.2297 5.2792 5.2792 5.3880 5.3880 6.0340 6.0340 6.9395 6.9395 9.3076 9.3076 10.2965 10.2965 11.8194 11.8194 12.3086 12.3086 13.4377 13.4377 13.9226 13.9226 14.3398 14.3398 17.0784 17.0784 k = 0.3250 0.5000-0.0000 ( 4964 PWs) bands (ev): -45.0173 -45.0173 -21.7161 -21.7161 -21.0680 -21.0680 -21.0564 -21.0564 4.5033 4.5033 4.5547 4.5547 4.5884 4.5884 4.6364 4.6364 4.6740 4.6740 4.6917 4.6917 4.8802 4.8802 4.9169 4.9169 4.9790 4.9790 5.0201 5.0201 5.1102 5.1102 5.2052 5.2052 5.2301 5.2301 5.2740 5.2740 5.3769 5.3769 6.0732 6.0732 7.0234 7.0234 9.1974 9.1974 10.1879 10.1879 11.8423 11.8423 12.2730 12.2730 13.4369 13.4369 13.9018 13.9018 14.3039 14.3039 17.1295 17.1295 k = 0.3375 0.5000-0.0000 ( 4964 PWs) bands (ev): -45.0172 -45.0172 -21.7162 -21.7162 -21.0682 -21.0682 -21.0565 -21.0565 4.5119 4.5119 4.5576 4.5576 4.5876 4.5876 4.6426 4.6426 4.6764 4.6764 4.6929 4.6929 4.8867 4.8867 4.9226 4.9226 4.9824 4.9824 5.0213 5.0213 5.1103 5.1103 5.1975 5.1975 5.2292 5.2292 5.2701 5.2701 5.3662 5.3662 6.1136 6.1136 7.1097 7.1097 9.0895 9.0895 10.0763 10.0763 11.8644 11.8644 12.2395 12.2395 13.4361 13.4361 13.8858 13.8858 14.2706 14.2706 17.1504 17.1504 k = 0.3500 0.5000-0.0000 ( 4960 PWs) bands (ev): -45.0172 -45.0172 -21.7163 -21.7163 -21.0684 -21.0684 -21.0566 -21.0566 4.5192 4.5192 4.5592 4.5592 4.5880 4.5880 4.6476 4.6476 4.6789 4.6789 4.6942 4.6942 4.8945 4.8945 4.9287 4.9287 4.9860 4.9860 5.0224 5.0224 5.1102 5.1102 5.1893 5.1893 5.2267 5.2267 5.2678 5.2678 5.3560 5.3560 6.1551 6.1551 7.1982 7.1982 8.9845 8.9845 9.9623 9.9623 11.8857 11.8857 12.2082 12.2082 13.4352 13.4352 13.8739 13.8739 14.2399 14.2399 17.1675 17.1675 k = 0.3625 0.5000-0.0000 ( 4956 PWs) bands (ev): -45.0172 -45.0172 -21.7165 -21.7165 -21.0686 -21.0686 -21.0567 -21.0567 4.5253 4.5253 4.5595 4.5595 4.5896 4.5896 4.6518 4.6518 4.6812 4.6812 4.6957 4.6957 4.9036 4.9036 4.9353 4.9353 4.9897 4.9897 5.0235 5.0235 5.1098 5.1098 5.1808 5.1808 5.2228 5.2228 5.2669 5.2669 5.3465 5.3465 6.1974 6.1974 7.2890 7.2890 8.8829 8.8829 9.8465 9.8465 11.9058 11.9058 12.1792 12.1792 13.4344 13.4344 13.8654 13.8654 14.2118 14.2118 17.1836 17.1836 k = 0.3750 0.5000-0.0000 ( 4956 PWs) bands (ev): -45.0172 -45.0172 -21.7166 -21.7166 -21.0688 -21.0688 -21.0568 -21.0568 4.5302 4.5302 4.5589 4.5589 4.5922 4.5922 4.6552 4.6552 4.6832 4.6832 4.6971 4.6971 4.9136 4.9136 4.9423 4.9423 4.9935 4.9935 5.0245 5.0245 5.1090 5.1090 5.1718 5.1718 5.2177 5.2177 5.2671 5.2671 5.3376 5.3376 6.2402 6.2402 7.3818 7.3818 8.7853 8.7853 9.7294 9.7294 11.9247 11.9247 12.1525 12.1525 13.4338 13.4338 13.8596 13.8596 14.1861 14.1861 17.1991 17.1991 k = 0.3875 0.5000-0.0000 ( 4940 PWs) bands (ev): -45.0171 -45.0171 -21.7167 -21.7167 -21.0690 -21.0690 -21.0569 -21.0569 4.5342 4.5342 4.5576 4.5576 4.5954 4.5954 4.6582 4.6582 4.6850 4.6850 4.6985 4.6985 4.9242 4.9242 4.9497 4.9497 4.9974 4.9974 5.0254 5.0254 5.1080 5.1080 5.1625 5.1625 5.2121 5.2121 5.2679 5.2679 5.3295 5.3295 6.2829 6.2829 7.4765 7.4765 8.6924 8.6924 9.6116 9.6116 11.9423 11.9423 12.1281 12.1281 13.4335 13.4335 13.8560 13.8560 14.1630 14.1630 17.2140 17.2140 k = 0.4000 0.5000-0.0000 ( 4936 PWs) bands (ev): -45.0171 -45.0171 -21.7168 -21.7168 -21.0692 -21.0692 -21.0569 -21.0569 4.5373 4.5373 4.5561 4.5561 4.5988 4.5988 4.6607 4.6607 4.6866 4.6866 4.6995 4.6995 4.9351 4.9351 4.9573 4.9573 5.0013 5.0013 5.0262 5.0262 5.1067 5.1067 5.1531 5.1531 5.2061 5.2061 5.2691 5.2691 5.3222 5.3222 6.3250 6.3250 7.5728 7.5728 8.6048 8.6048 9.4937 9.4937 11.9584 11.9584 12.1062 12.1062 13.4333 13.4333 13.8540 13.8540 14.1424 14.1424 17.2281 17.2281 k = 0.4125 0.5000-0.0000 ( 4932 PWs) bands (ev): -45.0171 -45.0171 -21.7169 -21.7169 -21.0693 -21.0693 -21.0570 -21.0570 4.5397 4.5397 4.5545 4.5545 4.6021 4.6021 4.6629 4.6629 4.6880 4.6880 4.7003 4.7003 4.9459 4.9459 4.9653 4.9653 5.0051 5.0051 5.0268 5.0268 5.1051 5.1051 5.1435 5.1435 5.2001 5.2001 5.2704 5.2704 5.3157 5.3157 6.3658 6.3658 7.6704 7.6704 8.5236 8.5236 9.3764 9.3764 11.9729 11.9729 12.0868 12.0868 13.4334 13.4334 13.8532 13.8532 14.1243 14.1243 17.2413 17.2413 k = 0.4250 0.5000-0.0000 ( 4936 PWs) bands (ev): -45.0171 -45.0171 -21.7170 -21.7170 -21.0695 -21.0695 -21.0570 -21.0570 4.5415 4.5415 4.5530 4.5530 4.6053 4.6053 4.6648 4.6648 4.6892 4.6892 4.7009 4.7009 4.9562 4.9562 4.9733 4.9733 5.0088 5.0088 5.0272 5.0272 5.1033 5.1033 5.1341 5.1341 5.1942 5.1942 5.2717 5.2717 5.3101 5.3101 6.4045 6.4045 7.7686 7.7686 8.4497 8.4497 9.2605 9.2605 11.9856 11.9856 12.0698 12.0698 13.4335 13.4335 13.8532 13.8532 14.1086 14.1086 17.2533 17.2533 k = 0.4375 0.5000-0.0000 ( 4936 PWs) bands (ev): -45.0171 -45.0171 -21.7171 -21.7171 -21.0696 -21.0696 -21.0570 -21.0570 4.5429 4.5429 4.5517 4.5517 4.6082 4.6082 4.6663 4.6663 4.6903 4.6903 4.7012 4.7012 4.9658 4.9658 4.9814 4.9814 5.0123 5.0123 5.0274 5.0274 5.1013 5.1013 5.1249 5.1249 5.1887 5.1887 5.2729 5.2729 5.3054 5.3054 6.4401 6.4401 7.8667 7.8667 8.3841 8.3841 9.1471 9.1471 11.9966 11.9966 12.0555 12.0555 13.4338 13.4338 13.8538 13.8538 14.0954 14.0954 17.2640 17.2640 k = 0.4500 0.5000-0.0000 ( 4940 PWs) bands (ev): -45.0171 -45.0171 -21.7172 -21.7172 -21.0697 -21.0697 -21.0571 -21.0571 4.5438 4.5438 4.5505 4.5505 4.6107 4.6107 4.6676 4.6676 4.6913 4.6913 4.7014 4.7014 4.9744 4.9744 4.9893 4.9893 5.0153 5.0153 5.0274 5.0274 5.0992 5.0992 5.1166 5.1166 5.1838 5.1838 5.2740 5.2740 5.3016 5.3016 6.4714 6.4714 7.9631 7.9631 8.3281 8.3281 9.0379 9.0379 12.0056 12.0056 12.0438 12.0438 13.4341 13.4341 13.8545 13.8545 14.0845 14.0845 17.2730 17.2730 k = 0.4625 0.5000-0.0000 ( 4938 PWs) bands (ev): -45.0171 -45.0171 -21.7172 -21.7172 -21.0698 -21.0698 -21.0571 -21.0571 4.5443 4.5443 4.5497 4.5497 4.6127 4.6127 4.6685 4.6685 4.6921 4.6921 4.7015 4.7015 4.9816 4.9816 4.9966 4.9966 5.0178 5.0178 5.0271 5.0271 5.0970 5.0970 5.1095 5.1095 5.1796 5.1796 5.2748 5.2748 5.2986 5.2986 6.4974 6.4974 8.0551 8.0551 8.2829 8.2829 8.9359 8.9359 12.0125 12.0125 12.0349 12.0349 13.4344 13.4344 13.8554 13.8554 14.0761 14.0761 17.2803 17.2803 k = 0.4750 0.5000-0.0000 ( 4956 PWs) bands (ev): -45.0171 -45.0171 -21.7172 -21.7172 -21.0698 -21.0698 -21.0571 -21.0571 4.5447 4.5447 4.5491 4.5491 4.6141 4.6141 4.6692 4.6692 4.6927 4.6927 4.7015 4.7015 4.9871 4.9871 5.0028 5.0028 5.0196 5.0196 5.0267 5.0267 5.0943 5.0943 5.1045 5.1045 5.1764 5.1764 5.2755 5.2755 5.2965 5.2965 6.5170 6.5170 8.1371 8.1371 8.2495 8.2495 8.8466 8.8466 12.0170 12.0170 12.0289 12.0289 13.4347 13.4347 13.8561 13.8561 14.0701 14.0701 17.2857 17.2857 k = 0.4875 0.5000-0.0000 ( 4972 PWs) bands (ev): -45.0170 -45.0170 -21.7173 -21.7173 -21.0699 -21.0699 -21.0571 -21.0571 4.5448 4.5448 4.5487 4.5487 4.6150 4.6150 4.6695 4.6695 4.6930 4.6930 4.7015 4.7015 4.9906 4.9906 5.0071 5.0071 5.0206 5.0206 5.0263 5.0263 5.0919 5.0919 5.1020 5.1020 5.1744 5.1744 5.2758 5.2758 5.2953 5.2953 6.5291 6.5291 8.1984 8.1984 8.2291 8.2291 8.7809 8.7809 12.0188 12.0188 12.0263 12.0263 13.4349 13.4349 13.8565 13.8565 14.0666 14.0666 17.2889 17.2889 k = 0.5000 0.5000-0.0000 ( 4972 PWs) bands (ev): -45.0170 -45.0170 -21.7173 -21.7173 -21.0699 -21.0699 -21.0571 -21.0571 4.5448 4.5448 4.5486 4.5486 4.6153 4.6153 4.6697 4.6697 4.6932 4.6932 4.7015 4.7015 4.9918 4.9918 5.0087 5.0087 5.0209 5.0209 5.0261 5.0261 5.0908 5.0908 5.1012 5.1012 5.1737 5.1737 5.2760 5.2760 5.2948 5.2948 6.5333 6.5333 8.2218 8.2218 8.2226 8.2226 8.7556 8.7556 12.0188 12.0188 12.0260 12.0260 13.4349 13.4349 13.8567 13.8567 14.0654 14.0654 17.2900 17.2900 k = 0.5000 0.5000-0.0000 ( 4972 PWs) bands (ev): -45.0170 -45.0170 -21.7173 -21.7173 -21.0699 -21.0699 -21.0571 -21.0571 4.5448 4.5448 4.5486 4.5486 4.6153 4.6153 4.6697 4.6697 4.6932 4.6932 4.7015 4.7015 4.9918 4.9918 5.0087 5.0087 5.0209 5.0209 5.0261 5.0261 5.0908 5.0908 5.1012 5.1012 5.1737 5.1737 5.2760 5.2760 5.2948 5.2948 6.5333 6.5333 8.2218 8.2218 8.2226 8.2226 8.7556 8.7556 12.0188 12.0188 12.0260 12.0260 13.4349 13.4349 13.8567 13.8567 14.0654 14.0654 17.2900 17.2900 k = 0.4912 0.4912-0.0000 ( 4972 PWs) bands (ev): -45.0170 -45.0170 -21.7173 -21.7173 -21.0699 -21.0699 -21.0571 -21.0571 4.5447 4.5447 4.5488 4.5488 4.6150 4.6150 4.6695 4.6695 4.6930 4.6930 4.7015 4.7015 4.9906 4.9906 5.0072 5.0072 5.0202 5.0202 5.0266 5.0266 5.0918 5.0918 5.1019 5.1019 5.1743 5.1743 5.2758 5.2758 5.2952 5.2952 6.5292 6.5292 8.2045 8.2045 8.2230 8.2230 8.7807 8.7807 12.0189 12.0189 12.0262 12.0262 13.4349 13.4349 13.8565 13.8565 14.0665 14.0665 17.2889 17.2889 k = 0.4825 0.4825-0.0000 ( 4956 PWs) bands (ev): -45.0171 -45.0171 -21.7172 -21.7172 -21.0698 -21.0698 -21.0571 -21.0571 4.5439 4.5439 4.5498 4.5498 4.6141 4.6141 4.6692 4.6692 4.6927 4.6927 4.7015 4.7015 4.9872 4.9872 5.0033 5.0033 5.0167 5.0167 5.0293 5.0293 5.0941 5.0941 5.1044 5.1044 5.1764 5.1764 5.2755 5.2755 5.2965 5.2965 6.5168 6.5168 8.1602 8.1602 8.2255 8.2255 8.8474 8.8474 12.0183 12.0183 12.0276 12.0276 13.4347 13.4347 13.8560 13.8560 14.0702 14.0702 17.2855 17.2855 k = 0.4737 0.4737-0.0000 ( 4951 PWs) bands (ev): -45.0171 -45.0171 -21.7172 -21.7172 -21.0698 -21.0698 -21.0571 -21.0571 4.5418 4.5418 4.5522 4.5522 4.6127 4.6127 4.6687 4.6687 4.6920 4.6920 4.7014 4.7014 4.9819 4.9819 4.9975 4.9975 5.0115 5.0115 5.0334 5.0334 5.0963 5.0963 5.1090 5.1090 5.1796 5.1796 5.2749 5.2749 5.2985 5.2985 6.4961 6.4961 8.1044 8.1044 8.2297 8.2297 8.9406 8.9406 12.0161 12.0161 12.0312 12.0312 13.4344 13.4344 13.8548 13.8548 14.0765 14.0765 17.2796 17.2796 k = 0.4649 0.4649-0.0000 ( 4949 PWs) bands (ev): -45.0171 -45.0171 -21.7172 -21.7172 -21.0697 -21.0697 -21.0571 -21.0571 4.5385 4.5385 4.5556 4.5556 4.6106 4.6106 4.6680 4.6680 4.6909 4.6909 4.7013 4.7013 4.9750 4.9750 4.9899 4.9899 5.0059 5.0059 5.0380 5.0380 5.0981 5.0981 5.1150 5.1150 5.1839 5.1839 5.2742 5.2742 5.3014 5.3014 6.4669 6.4669 8.0478 8.0478 8.2355 8.2355 9.0498 9.0498 12.0124 12.0124 12.0369 12.0369 13.4340 13.4340 13.8528 13.8528 14.0859 14.0859 17.2704 17.2704 k = 0.4561 0.4561-0.0000 ( 4941 PWs) bands (ev): -45.0171 -45.0171 -21.7171 -21.7171 -21.0696 -21.0696 -21.0571 -21.0571 4.5342 4.5342 4.5600 4.5600 4.6081 4.6081 4.6673 4.6673 4.6894 4.6894 4.7011 4.7011 4.9667 4.9667 4.9812 4.9812 5.0003 5.0003 5.0431 5.0431 5.0999 5.0999 5.1216 5.1216 5.1891 5.1891 5.2734 5.2734 5.3051 5.3051 6.4290 6.4290 7.9964 7.9964 8.2430 8.2430 9.1687 9.1687 12.0074 12.0074 12.0446 12.0446 13.4335 13.4335 13.8498 13.8498 14.0987 14.0987 17.2574 17.2574 k = 0.4474 0.4474-0.0000 ( 4939 PWs) bands (ev): -45.0171 -45.0171 -21.7170 -21.7170 -21.0695 -21.0695 -21.0570 -21.0570 4.5288 4.5288 4.5651 4.5651 4.6053 4.6053 4.6665 4.6665 4.6874 4.6874 4.7007 4.7007 4.9571 4.9571 4.9720 4.9720 4.9944 4.9944 5.0485 5.0485 5.1017 5.1017 5.1284 5.1284 5.1950 5.1950 5.2726 5.2726 5.3095 5.3095 6.3827 6.3827 7.9535 7.9535 8.2522 8.2522 9.2941 9.2941 12.0012 12.0012 12.0540 12.0540 13.4328 13.4328 13.8453 13.8453 14.1153 14.1153 17.2397 17.2397 k = 0.4386 0.4386-0.0000 ( 4941 PWs) bands (ev): -45.0171 -45.0171 -21.7169 -21.7169 -21.0693 -21.0693 -21.0570 -21.0570 4.5223 4.5223 4.5705 4.5705 4.6024 4.6024 4.6656 4.6656 4.6849 4.6849 4.7000 4.7000 4.9462 4.9462 4.9627 4.9627 4.9882 4.9882 5.0542 5.0542 5.1037 5.1037 5.1349 5.1349 5.2013 5.2013 5.2720 5.2720 5.3147 5.3147 6.3286 6.3286 7.9206 7.9206 8.2631 8.2631 9.4236 9.4236 11.9940 11.9940 12.0652 12.0652 13.4320 13.4320 13.8394 13.8394 14.1361 14.1361 17.2162 17.2162 k = 0.4298 0.4298-0.0000 ( 4935 PWs) bands (ev): -45.0171 -45.0171 -21.7168 -21.7168 -21.0691 -21.0691 -21.0569 -21.0569 4.5147 4.5147 4.5753 4.5753 4.6001 4.6001 4.6646 4.6646 4.6818 4.6818 4.6991 4.6991 4.9345 4.9345 4.9535 4.9535 4.9817 4.9817 5.0605 5.0605 5.1057 5.1057 5.1411 5.1411 5.2077 5.2077 5.2717 5.2717 5.3205 5.3205 6.2674 6.2674 7.8982 7.8982 8.2758 8.2758 9.5557 9.5557 11.9859 11.9859 12.0780 12.0780 13.4311 13.4311 13.8319 13.8319 14.1615 14.1615 17.1860 17.1860 k = 0.4211 0.4211-0.0000 ( 4943 PWs) bands (ev): -45.0171 -45.0171 -21.7167 -21.7167 -21.0689 -21.0689 -21.0569 -21.0569 4.5059 4.5059 4.5778 4.5778 4.6001 4.6001 4.6634 4.6634 4.6782 4.6782 4.6978 4.6978 4.9224 4.9224 4.9441 4.9441 4.9750 4.9750 5.0671 5.0671 5.1077 5.1077 5.1469 5.1469 5.2139 5.2139 5.2721 5.2721 5.3270 5.3270 6.2003 6.2003 7.8864 7.8864 8.2902 8.2902 9.6892 9.6892 11.9770 11.9770 12.0925 12.0925 13.4300 13.4300 13.8228 13.8228 14.1916 14.1916 17.1482 17.1482 k = 0.4123 0.4123-0.0000 ( 4945 PWs) bands (ev): -45.0172 -45.0172 -21.7166 -21.7166 -21.0687 -21.0687 -21.0568 -21.0568 4.4957 4.4957 4.5768 4.5768 4.6034 4.6034 4.6617 4.6617 4.6741 4.6741 4.6963 4.6963 4.9099 4.9099 4.9346 4.9346 4.9683 4.9683 5.0743 5.0743 5.1098 5.1098 5.1523 5.1523 5.2195 5.2195 5.2734 5.2734 5.3341 5.3341 6.1286 6.1286 7.8846 7.8846 8.3064 8.3064 9.8232 9.8232 11.9674 11.9674 12.1085 12.1085 13.4288 13.4288 13.8123 13.8123 14.2267 14.2267 17.1020 17.1020 k = 0.4035 0.4035-0.0000 ( 4947 PWs) bands (ev): -45.0172 -45.0172 -21.7165 -21.7165 -21.0685 -21.0685 -21.0568 -21.0568 4.4840 4.4840 4.5731 4.5731 4.6087 4.6087 4.6595 4.6595 4.6695 4.6695 4.6945 4.6945 4.8974 4.8974 4.9250 4.9250 4.9618 4.9618 5.0820 5.0820 5.1118 5.1118 5.1572 5.1572 5.2242 5.2242 5.2760 5.2760 5.3416 5.3416 6.0540 6.0540 7.8920 7.8920 8.3244 8.3244 9.9567 9.9567 11.9571 11.9571 12.1261 12.1261 13.4273 13.4273 13.8004 13.8004 14.2670 14.2670 17.0472 17.0472 k = 0.3947 0.3947-0.0000 ( 4951 PWs) bands (ev): -45.0172 -45.0172 -21.7163 -21.7163 -21.0682 -21.0682 -21.0567 -21.0567 4.4707 4.4707 4.5680 4.5680 4.6142 4.6142 4.6565 4.6565 4.6646 4.6646 4.6925 4.6925 4.8847 4.8847 4.9156 4.9156 4.9557 4.9557 5.0901 5.0901 5.1137 5.1137 5.1618 5.1618 5.2277 5.2277 5.2800 5.2800 5.3495 5.3495 5.9778 5.9778 7.9080 7.9080 8.3443 8.3443 10.0890 10.0890 11.9463 11.9463 12.1452 12.1452 13.4257 13.4257 13.7875 13.7875 14.3126 14.3126 16.9835 16.9835 k = 0.3860 0.3860-0.0000 ( 4949 PWs) bands (ev): -45.0172 -45.0172 -21.7161 -21.7161 -21.0680 -21.0680 -21.0566 -21.0566 4.4555 4.4555 4.5621 4.5621 4.6187 4.6187 4.6525 4.6525 4.6598 4.6598 4.6905 4.6905 4.8716 4.8716 4.9072 4.9072 4.9500 4.9500 5.0987 5.0987 5.1155 5.1155 5.1660 5.1660 5.2300 5.2300 5.2854 5.2854 5.3578 5.3578 5.9015 5.9015 7.9316 7.9316 8.3660 8.3660 10.2193 10.2193 11.9351 11.9351 12.1658 12.1658 13.4238 13.4238 13.7737 13.7737 14.3639 14.3639 16.9114 16.9114 k = 0.3772 0.3772-0.0000 ( 4965 PWs) bands (ev): -45.0173 -45.0173 -21.7160 -21.7160 -21.0677 -21.0677 -21.0566 -21.0566 4.4381 4.4381 4.5558 4.5558 4.6209 4.6209 4.6472 4.6472 4.6553 4.6553 4.6883 4.6883 4.8580 4.8580 4.9004 4.9004 4.9449 4.9449 5.1075 5.1075 5.1172 5.1172 5.1699 5.1699 5.2313 5.2313 5.2920 5.2920 5.3664 5.3664 5.8268 5.8268 7.9623 7.9623 8.3897 8.3897 10.3469 10.3469 11.9235 11.9235 12.1877 12.1877 13.4217 13.4217 13.7592 13.7592 14.4210 14.4210 16.8315 16.8315 k = 0.3684 0.3684-0.0000 ( 4961 PWs) bands (ev): -45.0173 -45.0173 -21.7158 -21.7158 -21.0673 -21.0673 -21.0565 -21.0565 4.4180 4.4180 4.5492 4.5492 4.6201 4.6201 4.6406 4.6406 4.6515 4.6515 4.6860 4.6860 4.8435 4.8435 4.8962 4.8962 4.9403 4.9403 5.1144 5.1144 5.1207 5.1207 5.1736 5.1736 5.2318 5.2318 5.2995 5.2995 5.3752 5.3752 5.7549 5.7549 7.9993 7.9993 8.4153 8.4153 10.4710 10.4710 11.9118 11.9118 12.2110 12.2110 13.4193 13.4193 13.7442 13.7442 14.4840 14.4840 16.7446 16.7446 k = 0.3596 0.3596-0.0000 ( 4963 PWs) bands (ev): -45.0173 -45.0173 -21.7156 -21.7156 -21.0670 -21.0670 -21.0564 -21.0564 4.3948 4.3948 4.5423 4.5423 4.6160 4.6160 4.6326 4.6326 4.6481 4.6481 4.6835 4.6835 4.8282 4.8282 4.8951 4.8951 4.9362 4.9362 5.1163 5.1163 5.1292 5.1292 5.1772 5.1772 5.2317 5.2317 5.3076 5.3076 5.3841 5.3841 5.6873 5.6873 8.0421 8.0421 8.4429 8.4429 10.5910 10.5910 11.9000 11.9000 12.2356 12.2356 13.4166 13.4166 13.7290 13.7290 14.5532 14.5532 16.6516 16.6516 k = 0.3509 0.3509-0.0000 ( 4963 PWs) bands (ev): -45.0174 -45.0174 -21.7154 -21.7154 -21.0667 -21.0667 -21.0563 -21.0563 4.3680 4.3680 4.5352 4.5352 4.6095 4.6095 4.6231 4.6231 4.6441 4.6441 4.6803 4.6803 4.8126 4.8126 4.8975 4.8975 4.9327 4.9327 5.1161 5.1161 5.1394 5.1394 5.1808 5.1808 5.2311 5.2311 5.3161 5.3161 5.3932 5.3932 5.6251 5.6251 8.0901 8.0901 8.4725 8.4725 10.7064 10.7064 11.8882 11.8882 12.2614 12.2614 13.4135 13.4135 13.7138 13.7138 14.6288 14.6288 16.5535 16.5535 k = 0.3421 0.3421-0.0000 ( 4957 PWs) bands (ev): -45.0174 -45.0174 -21.7152 -21.7152 -21.0663 -21.0663 -21.0562 -21.0562 4.3370 4.3370 4.5279 4.5279 4.6010 4.6010 4.6126 4.6126 4.6389 4.6389 4.6762 4.6762 4.7970 4.7970 4.9032 4.9032 4.9296 4.9296 5.1150 5.1150 5.1501 5.1501 5.1844 5.1844 5.2300 5.2300 5.3247 5.3247 5.4023 5.4023 5.5693 5.5693 8.1430 8.1430 8.5042 8.5042 10.8164 10.8164 11.8766 11.8766 12.2884 12.2884 13.4099 13.4099 13.6989 13.6989 14.7107 14.7107 16.4512 16.4512 k = 0.3333 0.3333-0.0000 ( 4957 PWs) bands (ev): -45.0174 -45.0174 -21.7150 -21.7150 -21.0659 -21.0659 -21.0561 -21.0561 4.3012 4.3012 4.5205 4.5205 4.5908 4.5908 4.6012 4.6012 4.6323 4.6323 4.6708 4.6708 4.7820 4.7820 4.9122 4.9122 4.9270 4.9270 5.1131 5.1131 5.1611 5.1611 5.1882 5.1882 5.2283 5.2283 5.3333 5.3333 5.4114 5.4114 5.5209 5.5209 8.2004 8.2004 8.5381 8.5381 10.9205 10.9205 11.8651 11.8651 12.3164 12.3164 13.4059 13.4059 13.6844 13.6844 14.7991 14.7991 16.3456 16.3456 k = 0.3246 0.3246-0.0000 ( 4957 PWs) bands (ev): -45.0175 -45.0175 -21.7147 -21.7147 -21.0655 -21.0655 -21.0560 -21.0560 4.2603 4.2603 4.5130 4.5130 4.5789 4.5789 4.5897 4.5897 4.6244 4.6244 4.6640 4.6640 4.7678 4.7678 4.9236 4.9236 4.9251 4.9251 5.1103 5.1103 5.1722 5.1722 5.1921 5.1921 5.2261 5.2261 5.3417 5.3417 5.4205 5.4205 5.4804 5.4804 8.2620 8.2620 8.5740 8.5740 11.0184 11.0184 11.8541 11.8541 12.3455 12.3455 13.4013 13.4013 13.6705 13.6705 14.8939 14.8939 16.2375 16.2375 k = 0.3158 0.3158-0.0000 ( 4963 PWs) bands (ev): -45.0175 -45.0175 -21.7145 -21.7145 -21.0651 -21.0651 -21.0559 -21.0559 4.2143 4.2143 4.5055 4.5055 4.5652 4.5652 4.5784 4.5784 4.6154 4.6154 4.6559 4.6559 4.7546 4.7546 4.9230 4.9230 4.9379 4.9379 5.1068 5.1068 5.1832 5.1832 5.1963 5.1963 5.2234 5.2234 5.3497 5.3497 5.4295 5.4295 5.4482 5.4482 8.3275 8.3275 8.6122 8.6122 11.1097 11.1097 11.8434 11.8434 12.3755 12.3755 13.3961 13.3961 13.6574 13.6574 14.9949 14.9949 16.1275 16.1275 k = 0.3070 0.3070-0.0000 ( 4955 PWs) bands (ev): -45.0175 -45.0175 -21.7142 -21.7142 -21.0647 -21.0647 -21.0558 -21.0558 4.1631 4.1631 4.4979 4.4979 4.5504 4.5504 4.5673 4.5673 4.6056 4.6056 4.6468 4.6468 4.7422 4.7422 4.9219 4.9219 4.9536 4.9536 5.1028 5.1028 5.1933 5.1933 5.2006 5.2006 5.2211 5.2211 5.3568 5.3568 5.4241 5.4241 5.4387 5.4387 8.3966 8.3966 8.6525 8.6525 11.1940 11.1940 11.8334 11.8334 12.4063 12.4063 13.3902 13.3902 13.6453 13.6453 15.1016 15.1016 16.0162 16.0162 k = 0.2982 0.2982-0.0000 ( 4959 PWs) bands (ev): -45.0176 -45.0176 -21.7140 -21.7140 -21.0642 -21.0642 -21.0557 -21.0557 4.1074 4.1074 4.4902 4.4902 4.5349 4.5349 4.5563 4.5563 4.5950 4.5950 4.6369 4.6369 4.7303 4.7303 4.9212 4.9212 4.9704 4.9704 5.0986 5.0986 5.2006 5.2006 5.2048 5.2048 5.2213 5.2213 5.3621 5.3621 5.4089 5.4089 5.4475 5.4475 8.4692 8.4692 8.6952 8.6952 11.2713 11.2713 11.8239 11.8239 12.4379 12.4379 13.3834 13.3834 13.6342 13.6342 15.2136 15.2136 15.9041 15.9041 k = 0.2895 0.2895-0.0000 ( 4947 PWs) bands (ev): -45.0176 -45.0176 -21.7137 -21.7137 -21.0638 -21.0638 -21.0556 -21.0556 4.0475 4.0475 4.4825 4.4825 4.5191 4.5191 4.5453 4.5453 4.5838 4.5838 4.6266 4.6266 4.7186 4.7186 4.9212 4.9212 4.9877 4.9877 5.0946 5.0946 5.2018 5.2018 5.2097 5.2097 5.2271 5.2271 5.3644 5.3644 5.4023 5.4023 5.4563 5.4563 8.5451 8.5451 8.7401 8.7401 11.3415 11.3415 11.8151 11.8151 12.4703 12.4703 13.3757 13.3757 13.6243 13.6243 15.3300 15.3300 15.7917 15.7917 k = 0.2807 0.2807-0.0000 ( 4951 PWs) bands (ev): -45.0177 -45.0177 -21.7134 -21.7134 -21.0633 -21.0633 -21.0554 -21.0554 3.9844 3.9844 4.4748 4.4748 4.5033 4.5033 4.5343 4.5343 4.5723 4.5723 4.6161 4.6161 4.7068 4.7068 4.9217 4.9217 5.0047 5.0047 5.0916 5.0916 5.1993 5.1993 5.2148 5.2148 5.2364 5.2364 5.3642 5.3642 5.4032 5.4032 5.4650 5.4650 8.6239 8.6239 8.7874 8.7874 11.4046 11.4046 11.8072 11.8072 12.5032 12.5032 13.3670 13.3670 13.6155 13.6155 15.4495 15.4495 15.6795 15.6795 k = 0.2719 0.2719-0.0000 ( 4967 PWs) bands (ev): -45.0177 -45.0177 -21.7132 -21.7132 -21.0629 -21.0629 -21.0553 -21.0553 3.9188 3.9188 4.4671 4.4671 4.4876 4.4876 4.5233 4.5233 4.5606 4.5606 4.6055 4.6055 4.6948 4.6948 4.9227 4.9227 5.0202 5.0202 5.0904 5.0904 5.1962 5.1962 5.2200 5.2200 5.2467 5.2467 5.3638 5.3638 5.4080 5.4080 5.4735 5.4735 8.7057 8.7057 8.8370 8.8370 11.4610 11.4610 11.8001 11.8001 12.5366 12.5366 13.3571 13.3571 13.6079 13.6079 15.5577 15.5577 15.5811 15.5811 k = 0.2632 0.2632-0.0000 ( 4963 PWs) bands (ev): -45.0178 -45.0178 -21.7129 -21.7129 -21.0624 -21.0624 -21.0552 -21.0552 3.8514 3.8514 4.4591 4.4591 4.4722 4.4722 4.5124 4.5124 4.5487 4.5487 4.5950 4.5950 4.6824 4.6824 4.9243 4.9243 5.0323 5.0323 5.0927 5.0927 5.1937 5.1937 5.2253 5.2253 5.2569 5.2569 5.3648 5.3648 5.4146 5.4146 5.4819 5.4819 8.7901 8.7901 8.8891 8.8891 11.5107 11.5107 11.7940 11.7940 12.5704 12.5704 13.3459 13.3459 13.6014 13.6014 15.4548 15.4548 15.6947 15.6947 k = 0.2544 0.2544-0.0000 ( 4963 PWs) bands (ev): -45.0178 -45.0178 -21.7126 -21.7126 -21.0619 -21.0619 -21.0551 -21.0551 3.7828 3.7828 4.4503 4.4503 4.4580 4.4580 4.5016 4.5016 4.5367 4.5367 4.5845 4.5845 4.6696 4.6696 4.9265 4.9265 5.0394 5.0394 5.0993 5.0993 5.1926 5.1926 5.2307 5.2307 5.2667 5.2667 5.3676 5.3676 5.4219 5.4219 5.4901 5.4901 8.8770 8.8770 8.9436 8.9436 11.5542 11.5542 11.7889 11.7889 12.6046 12.6046 13.3332 13.3332 13.5959 13.5959 15.3444 15.3444 15.8148 15.8148 k = 0.2456 0.2456-0.0000 ( 4963 PWs) bands (ev): -45.0178 -45.0178 -21.7123 -21.7123 -21.0615 -21.0615 -21.0549 -21.0549 3.7139 3.7139 4.4385 4.4385 4.4471 4.4471 4.4909 4.4909 4.5249 4.5249 4.5742 4.5742 4.6564 4.6564 4.9290 4.9290 5.0419 5.0419 5.1093 5.1093 5.1936 5.1936 5.2361 5.2361 5.2759 5.2759 5.3722 5.3722 5.4295 5.4295 5.4981 5.4981 8.9659 8.9659 9.0009 9.0009 11.5919 11.5919 11.7849 11.7849 12.6389 12.6389 13.3189 13.3189 13.5914 13.5914 15.2348 15.2348 15.9310 15.9310 k = 0.2368 0.2368-0.0000 ( 4967 PWs) bands (ev): -45.0179 -45.0179 -21.7121 -21.7121 -21.0610 -21.0610 -21.0548 -21.0548 3.6449 3.6449 4.4243 4.4243 4.4388 4.4388 4.4805 4.4805 4.5131 4.5131 4.5640 4.5640 4.6429 4.6429 4.9320 4.9320 5.0416 5.0416 5.1195 5.1195 5.1976 5.1976 5.2417 5.2417 5.2844 5.2844 5.3785 5.3785 5.4372 5.4372 5.5060 5.5060 9.0528 9.0528 9.0647 9.0647 11.6242 11.6242 11.7820 11.7820 12.6734 12.6734 13.3027 13.3027 13.5875 13.5875 15.1265 15.1265 16.0406 16.0406 k = 0.2281 0.2281-0.0000 ( 4971 PWs) bands (ev): -45.0179 -45.0179 -21.7118 -21.7118 -21.0605 -21.0605 -21.0547 -21.0547 3.5764 3.5764 4.4099 4.4099 4.4312 4.4312 4.4702 4.4702 4.5014 4.5014 4.5540 4.5540 4.6292 4.6292 4.9353 4.9353 5.0400 5.0400 5.1278 5.1278 5.2055 5.2055 5.2473 5.2473 5.2923 5.2923 5.3862 5.3862 5.4450 5.4450 5.5137 5.5137 9.1195 9.1195 9.1532 9.1532 11.6517 11.6517 11.7803 11.7803 12.7079 12.7079 13.2846 13.2846 13.5842 13.5842 15.0196 15.0196 16.1417 16.1417 k = 0.2193 0.2193-0.0000 ( 4983 PWs) bands (ev): -45.0180 -45.0180 -21.7115 -21.7115 -21.0600 -21.0600 -21.0545 -21.0545 3.5089 3.5089 4.3955 4.3955 4.4240 4.4240 4.4602 4.4602 4.4899 4.4899 4.5442 4.5442 4.6153 4.6153 4.9388 4.9388 5.0378 5.0378 5.1331 5.1331 5.2168 5.2168 5.2529 5.2529 5.2997 5.2997 5.3951 5.3951 5.4527 5.4527 5.5213 5.5213 9.1841 9.1841 9.2480 9.2480 11.6749 11.6749 11.7799 11.7799 12.7423 12.7423 13.2642 13.2642 13.5813 13.5813 14.9142 14.9142 16.2328 16.2328 k = 0.2105 0.2105-0.0000 ( 4983 PWs) bands (ev): -45.0180 -45.0180 -21.7112 -21.7112 -21.0595 -21.0595 -21.0544 -21.0544 3.4425 3.4425 4.3814 4.3814 4.4169 4.4169 4.4503 4.4503 4.4786 4.4786 4.5347 4.5347 4.6015 4.6015 4.9425 4.9425 5.0353 5.0353 5.1360 5.1360 5.2305 5.2305 5.2587 5.2587 5.3069 5.3069 5.4048 5.4048 5.4604 5.4604 5.5286 5.5286 9.2507 9.2507 9.3448 9.3448 11.6943 11.6943 11.7807 11.7807 12.7765 12.7765 13.2415 13.2415 13.5786 13.5786 14.8106 14.8106 16.3137 16.3137 k = 0.2018 0.2018-0.0000 ( 4973 PWs) bands (ev): -45.0181 -45.0181 -21.7109 -21.7109 -21.0591 -21.0591 -21.0543 -21.0543 3.3776 3.3776 4.3676 4.3676 4.4099 4.4099 4.4408 4.4408 4.4676 4.4676 4.5253 4.5253 4.5876 4.5876 4.9463 4.9463 5.0327 5.0327 5.1372 5.1372 5.2450 5.2450 5.2648 5.2648 5.3142 5.3142 5.4150 5.4150 5.4682 5.4682 5.5358 5.5358 9.3195 9.3195 9.4430 9.4430 11.7104 11.7104 11.7828 11.7828 12.8104 12.8104 13.2162 13.2162 13.5757 13.5757 14.7089 14.7089 16.3851 16.3851 k = 0.1930 0.1930-0.0000 ( 4971 PWs) bands (ev): -45.0181 -45.0181 -21.7107 -21.7107 -21.0586 -21.0586 -21.0542 -21.0542 3.3144 3.3144 4.3542 4.3542 4.4032 4.4032 4.4315 4.4315 4.4568 4.4568 4.5163 4.5163 4.5739 4.5739 4.9502 4.9502 5.0301 5.0301 5.1375 5.1375 5.2583 5.2583 5.2716 5.2716 5.3223 5.3223 5.4256 5.4256 5.4761 5.4761 5.5427 5.5427 9.3907 9.3907 9.5424 9.5424 11.7238 11.7238 11.7862 11.7862 12.8439 12.8439 13.1881 13.1881 13.5726 13.5726 14.6091 14.6091 16.4482 16.4482 k = 0.1842 0.1842-0.0000 ( 4967 PWs) bands (ev): -45.0181 -45.0181 -21.7104 -21.7104 -21.0581 -21.0581 -21.0540 -21.0540 3.2532 3.2532 4.3411 4.3411 4.3966 4.3966 4.4224 4.4224 4.4463 4.4463 4.5075 4.5075 4.5604 4.5604 4.9541 4.9541 5.0275 5.0275 5.1373 5.1373 5.2686 5.2686 5.2798 5.2798 5.3317 5.3317 5.4361 5.4361 5.4841 5.4841 5.5495 5.5495 9.4641 9.4641 9.6426 9.6426 11.7350 11.7350 11.7908 11.7908 12.8768 12.8768 13.1570 13.1570 13.5689 13.5689 14.5115 14.5115 16.5046 16.5046 k = 0.1754 0.1754-0.0000 ( 4963 PWs) bands (ev): -45.0182 -45.0182 -21.7101 -21.7101 -21.0577 -21.0577 -21.0539 -21.0539 3.1941 3.1941 4.3285 4.3285 4.3902 4.3902 4.4137 4.4137 4.4361 4.4361 4.4990 4.4990 4.5473 4.5473 4.9580 4.9580 5.0250 5.0250 5.1368 5.1368 5.2758 5.2758 5.2888 5.2888 5.3428 5.3428 5.4464 5.4464 5.4924 5.4924 5.5561 5.5561 9.5398 9.5398 9.7433 9.7433 11.7445 11.7445 11.7968 11.7968 12.9091 12.9091 13.1227 13.1227 13.5645 13.5645 14.4161 14.4161 16.5559 16.5559 k = 0.1667 0.1667-0.0000 ( 4959 PWs) bands (ev): -45.0182 -45.0182 -21.7099 -21.7099 -21.0572 -21.0572 -21.0538 -21.0538 3.1371 3.1371 4.3163 4.3163 4.3840 4.3840 4.4053 4.4053 4.4262 4.4262 4.4908 4.4908 4.5344 4.5344 4.9618 4.9618 5.0225 5.0225 5.1362 5.1362 5.2817 5.2817 5.2967 5.2967 5.3555 5.3555 5.4562 5.4562 5.5011 5.5011 5.5626 5.5626 9.6176 9.6176 9.8442 9.8442 11.7527 11.7527 11.8040 11.8040 12.9405 12.9405 13.0853 13.0853 13.5592 13.5592 14.3232 14.3232 16.6032 16.6032 k = 0.1579 0.1579-0.0000 ( 4969 PWs) bands (ev): -45.0183 -45.0183 -21.7096 -21.7096 -21.0568 -21.0568 -21.0537 -21.0537 3.0826 3.0826 4.3046 4.3046 4.3780 4.3780 4.3971 4.3971 4.4166 4.4166 4.4829 4.4829 4.5220 4.5220 4.9654 4.9654 5.0201 5.0201 5.1356 5.1356 5.2870 5.2870 5.3031 5.3031 5.3694 5.3694 5.4653 5.4653 5.5102 5.5102 5.5688 5.5688 9.6975 9.6975 9.9449 9.9449 11.7602 11.7602 11.8124 11.8124 12.9704 12.9704 13.0450 13.0450 13.5527 13.5527 14.2327 14.2327 16.6476 16.6476 k = 0.1491 0.1491-0.0000 ( 4965 PWs) bands (ev): -45.0183 -45.0183 -21.7094 -21.7094 -21.0564 -21.0564 -21.0536 -21.0536 3.0305 3.0305 4.2933 4.2933 4.3722 4.3722 4.3893 4.3893 4.4074 4.4074 4.4753 4.4753 4.5102 4.5102 4.9689 4.9689 5.0178 5.0178 5.1351 5.1351 5.2919 5.2919 5.3082 5.3082 5.3838 5.3838 5.4736 5.4736 5.5197 5.5197 5.5749 5.5749 9.7793 9.7793 10.0449 10.0449 11.7673 11.7673 11.8220 11.8220 12.9890 12.9890 13.0115 13.0115 13.5450 13.5450 14.1449 14.1449 16.6896 16.6896 k = 0.1404 0.1404-0.0000 ( 4963 PWs) bands (ev): -45.0183 -45.0183 -21.7091 -21.7091 -21.0560 -21.0560 -21.0534 -21.0534 2.9811 2.9811 4.2826 4.2826 4.3667 4.3667 4.3818 4.3818 4.3985 4.3985 4.4681 4.4681 4.4988 4.4988 4.9722 4.9722 5.0155 5.0155 5.1346 5.1346 5.2966 5.2966 5.3123 5.3123 5.3981 5.3981 5.4812 5.4812 5.5295 5.5295 5.5807 5.5807 9.8630 9.8630 10.1437 10.1437 11.7745 11.7745 11.8328 11.8328 12.9485 12.9485 13.0323 13.0323 13.5359 13.5359 14.0600 14.0600 16.7298 16.7298 k = 0.1316 0.1316-0.0000 ( 4971 PWs) bands (ev): -45.0184 -45.0184 -21.7089 -21.7089 -21.0556 -21.0556 -21.0533 -21.0533 2.9343 2.9343 4.2724 4.2724 4.3614 4.3614 4.3747 4.3747 4.3899 4.3899 4.4613 4.4613 4.4881 4.4881 4.9754 4.9754 5.0134 5.0134 5.1342 5.1342 5.3010 5.3010 5.3158 5.3158 5.4121 5.4121 5.4879 5.4879 5.5396 5.5396 5.5864 5.5864 9.9484 9.9484 10.2408 10.2408 11.7821 11.7821 11.8447 11.8447 12.8971 12.8971 13.0592 13.0592 13.5251 13.5251 13.9780 13.9780 16.7684 16.7684 k = 0.1228 0.1228-0.0000 ( 4971 PWs) bands (ev): -45.0184 -45.0184 -21.7087 -21.7087 -21.0552 -21.0552 -21.0532 -21.0532 2.8902 2.8902 4.2628 4.2628 4.3564 4.3564 4.3680 4.3680 4.3817 4.3817 4.4549 4.4549 4.4780 4.4780 4.9783 4.9783 5.0113 5.0113 5.1339 5.1339 5.3052 5.3052 5.3187 5.3187 5.4254 5.4254 5.4940 5.4940 5.5497 5.5497 5.5919 5.5919 10.0352 10.0352 10.3356 10.3356 11.7907 11.7907 11.8577 11.8577 12.8416 12.8416 13.0854 13.0854 13.5127 13.5127 13.8991 13.8991 16.8054 16.8054 k = 0.1140 0.1140-0.0000 ( 4967 PWs) bands (ev): -45.0184 -45.0184 -21.7085 -21.7085 -21.0549 -21.0549 -21.0531 -21.0531 2.8489 2.8489 4.2538 4.2538 4.3517 4.3517 4.3616 4.3616 4.3740 4.3740 4.4488 4.4488 4.4685 4.4685 4.9809 4.9809 5.0093 5.0093 5.1337 5.1337 5.3091 5.3091 5.3213 5.3213 5.4379 5.4379 5.4994 5.4994 5.5598 5.5598 5.5971 5.5971 10.1233 10.1233 10.4273 10.4273 11.8005 11.8005 11.8715 11.8715 12.7824 12.7824 13.1103 13.1103 13.4985 13.4985 13.8236 13.8236 16.8410 16.8410 k = 0.1053 0.1053-0.0000 ( 4955 PWs) bands (ev): -45.0185 -45.0185 -21.7083 -21.7083 -21.0545 -21.0545 -21.0530 -21.0530 2.8105 2.8105 4.2453 4.2453 4.3472 4.3472 4.3556 4.3556 4.3666 4.3666 4.4432 4.4432 4.4597 4.4597 4.9834 4.9834 5.0075 5.0075 5.1336 5.1336 5.3128 5.3128 5.3235 5.3235 5.4495 5.4495 5.5043 5.5043 5.5697 5.5697 5.6022 5.6022 10.2124 10.2124 10.5153 10.5153 11.8120 11.8120 11.8861 11.8861 12.7198 12.7198 13.1339 13.1339 13.4826 13.4826 13.7516 13.7516 16.8749 16.8749 k = 0.0965 0.0965-0.0000 ( 4959 PWs) bands (ev): -45.0185 -45.0185 -21.7081 -21.7081 -21.0542 -21.0542 -21.0530 -21.0530 2.7750 2.7750 4.2375 4.2375 4.3431 4.3431 4.3501 4.3501 4.3597 4.3597 4.4379 4.4379 4.4517 4.4517 4.9856 4.9856 5.0058 5.0058 5.1336 5.1336 5.3162 5.3162 5.3255 5.3255 5.4601 5.4601 5.5087 5.5087 5.5792 5.5792 5.6069 5.6069 10.3022 10.3022 10.5986 10.5986 11.8256 11.8256 11.9013 11.9013 12.6541 12.6541 13.1559 13.1559 13.4650 13.4650 13.6835 13.6835 16.9071 16.9071 k = 0.0877 0.0877-0.0000 ( 4959 PWs) bands (ev): -45.0185 -45.0185 -21.7080 -21.7080 -21.0539 -21.0539 -21.0529 -21.0529 2.7424 2.7424 4.2303 4.2303 4.3393 4.3393 4.3450 4.3450 4.3533 4.3533 4.4331 4.4331 4.4443 4.4443 4.9875 4.9875 5.0042 5.0042 5.1337 5.1337 5.3194 5.3194 5.3272 5.3272 5.4697 5.4697 5.5127 5.5127 5.5882 5.5882 5.6115 5.6115 10.3923 10.3923 10.6765 10.6765 11.8414 11.8414 11.9169 11.9169 12.5858 12.5858 13.1763 13.1763 13.4457 13.4457 13.6194 13.6194 16.9374 16.9374 k = 0.0789 0.0789-0.0000 ( 4959 PWs) bands (ev): -45.0185 -45.0185 -21.7078 -21.7078 -21.0537 -21.0537 -21.0528 -21.0528 2.7128 2.7128 4.2237 4.2237 4.3358 4.3358 4.3403 4.3403 4.3473 4.3473 4.4288 4.4288 4.4377 4.4377 4.9893 4.9893 5.0027 5.0027 5.1338 5.1338 5.3222 5.3222 5.3287 5.3287 5.4783 5.4783 5.5163 5.5163 5.5966 5.5966 5.6157 5.6157 10.4821 10.4821 10.7482 10.7482 11.8595 11.8595 11.9327 11.9327 12.5153 12.5153 13.1950 13.1950 13.4251 13.4251 13.5596 13.5596 16.9654 16.9654 k = 0.0702 0.0702-0.0000 ( 4965 PWs) bands (ev): -45.0186 -45.0186 -21.7077 -21.7077 -21.0534 -21.0534 -21.0527 -21.0527 2.6863 2.6863 4.2178 4.2178 4.3326 4.3326 4.3361 4.3361 4.3419 4.3419 4.4248 4.4248 4.4318 4.4318 4.9908 4.9908 5.0013 5.0013 5.1339 5.1339 5.3248 5.3248 5.3300 5.3300 5.4858 5.4858 5.5195 5.5195 5.6044 5.6044 5.6196 5.6196 10.5710 10.5710 10.8130 10.8130 11.8799 11.8799 11.9483 11.9483 12.4434 12.4434 13.2120 13.2120 13.4034 13.4034 13.5046 13.5046 16.9909 16.9909 k = 0.0614 0.0614-0.0000 ( 4959 PWs) bands (ev): -45.0186 -45.0186 -21.7075 -21.7075 -21.0532 -21.0532 -21.0527 -21.0527 2.6628 2.6628 4.2125 4.2125 4.3298 4.3298 4.3323 4.3323 4.3370 4.3370 4.4213 4.4213 4.4266 4.4266 4.9921 4.9921 5.0001 5.0001 5.1341 5.1341 5.3272 5.3272 5.3312 5.3312 5.4924 5.4924 5.5223 5.5223 5.6115 5.6115 5.6232 5.6232 10.6581 10.6581 10.8703 10.8703 11.9020 11.9020 11.9635 11.9635 12.3711 12.3711 13.2270 13.2270 13.3812 13.3812 13.4548 13.4548 17.0135 17.0136 k = 0.0526 0.0526-0.0000 ( 4959 PWs) bands (ev): -45.0186 -45.0186 -21.7074 -21.7074 -21.0530 -21.0530 -21.0526 -21.0526 2.6424 2.6424 4.2080 4.2080 4.3273 4.3273 4.3291 4.3291 4.3327 4.3327 4.4183 4.4183 4.4221 4.4221 4.9932 4.9932 4.9991 4.9991 5.1343 5.1343 5.3292 5.3292 5.3322 5.3322 5.4980 5.4980 5.5248 5.5248 5.6177 5.6177 5.6263 5.6263 10.7423 10.7423 10.9198 10.9198 11.9253 11.9253 11.9780 11.9780 12.2995 12.2995 13.2402 13.2402 13.3589 13.3589 13.4105 13.4105 17.0331 17.0331 k = 0.0439 0.0439-0.0000 ( 4955 PWs) bands (ev): -45.0186 -45.0186 -21.7073 -21.7073 -21.0529 -21.0529 -21.0526 -21.0526 2.6251 2.6251 4.2041 4.2041 4.3252 4.3252 4.3263 4.3263 4.3290 4.3290 4.4157 4.4157 4.4184 4.4184 4.9941 4.9941 4.9982 4.9982 5.1345 5.1345 5.3309 5.3309 5.3330 5.3330 5.5026 5.5026 5.5269 5.5269 5.6230 5.6230 5.6291 5.6291 10.8220 10.8220 10.9611 10.9611 11.9484 11.9484 11.9914 11.9914 12.2305 12.2305 13.2513 13.2513 13.3373 13.3373 13.3724 13.3724 17.0492 17.0492 k = 0.0351 0.0351-0.0000 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7073 -21.7073 -21.0527 -21.0527 -21.0525 -21.0525 2.6110 2.6110 4.2009 4.2009 4.3234 4.3234 4.3241 4.3241 4.3260 4.3260 4.4136 4.4136 4.4153 4.4153 4.9948 4.9948 4.9974 4.9974 5.1347 5.1347 5.3323 5.3323 5.3337 5.3337 5.5063 5.5063 5.5287 5.5287 5.6275 5.6275 5.6314 5.6314 10.8950 10.8950 10.9945 10.9945 11.9698 11.9698 12.0034 12.0034 12.1663 12.1663 13.2602 13.2602 13.3171 13.3171 13.3411 13.3411 17.0616 17.0616 k = 0.0263 0.0263-0.0000 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7072 -21.7072 -21.0526 -21.0526 -21.0525 -21.0525 2.5999 2.5999 4.1984 4.1984 4.3219 4.3219 4.3224 4.3224 4.3236 4.3236 4.4120 4.4120 4.4129 4.4129 4.9954 4.9954 4.9969 4.9969 5.1348 5.1348 5.3334 5.3334 5.3342 5.3342 5.5091 5.5091 5.5301 5.5301 5.6310 5.6310 5.6332 5.6332 10.9584 10.9584 11.0201 11.0201 11.9879 11.9879 12.0134 12.0134 12.1104 12.1104 13.2667 13.2667 13.2991 13.2991 13.3175 13.3175 17.0705 17.0705 k = 0.0175 0.0175-0.0000 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7072 -21.7072 -21.0525 -21.0525 -21.0525 -21.0525 2.5920 2.5920 4.1967 4.1967 4.3207 4.3207 4.3214 4.3214 4.3219 4.3219 4.4108 4.4108 4.4112 4.4112 4.9958 4.9958 4.9964 4.9964 5.1349 5.1349 5.3342 5.3342 5.3345 5.3345 5.5111 5.5111 5.5311 5.5311 5.6335 5.6335 5.6345 5.6345 11.0085 11.0085 11.0380 11.0380 12.0011 12.0011 12.0195 12.0195 12.0681 12.0681 13.2706 13.2706 13.2844 13.2844 13.3020 13.3020 17.0760 17.0760 k = 0.0088 0.0088-0.0000 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7071 -21.7071 -21.0525 -21.0525 -21.0525 -21.0525 2.5873 2.5873 4.1956 4.1956 4.3200 4.3200 4.3207 4.3207 4.3209 4.3209 4.4101 4.4101 4.4102 4.4102 4.9960 4.9960 4.9962 4.9962 5.1350 5.1350 5.3347 5.3347 5.3348 5.3348 5.5123 5.5123 5.5317 5.5317 5.6350 5.6350 5.6353 5.6353 11.0409 11.0409 11.0487 11.0487 12.0087 12.0087 12.0164 12.0164 12.0480 12.0480 13.2716 13.2716 13.2748 13.2748 13.2943 13.2943 17.0789 17.0789 k = 0.0000 0.0000 0.0000 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7071 -21.7071 -21.0525 -21.0525 -21.0525 -21.0525 2.5857 2.5857 4.1952 4.1952 4.3197 4.3197 4.3205 4.3205 4.3205 4.3205 4.4099 4.4099 4.4099 4.4099 4.9961 4.9961 4.9961 4.9961 5.1350 5.1350 5.3348 5.3348 5.3348 5.3348 5.5127 5.5127 5.5320 5.5320 5.6355 5.6355 5.6355 5.6355 11.0522 11.0522 11.0522 11.0522 12.0112 12.0112 12.0112 12.0112 12.0452 12.0452 13.2715 13.2715 13.2715 13.2715 13.2923 13.2923 17.0797 17.0797 k = 0.0000 0.0000 0.0000 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7071 -21.7071 -21.0525 -21.0525 -21.0525 -21.0525 2.5857 2.5857 4.1952 4.1952 4.3197 4.3197 4.3205 4.3205 4.3205 4.3205 4.4099 4.4099 4.4099 4.4099 4.9961 4.9961 4.9961 4.9961 5.1350 5.1350 5.3348 5.3348 5.3348 5.3348 5.5127 5.5127 5.5320 5.5320 5.6355 5.6355 5.6355 5.6355 11.0522 11.0522 11.0522 11.0522 12.0112 12.0112 12.0112 12.0112 12.0452 12.0452 13.2715 13.2715 13.2715 13.2715 13.2923 13.2923 17.0797 17.0797 k = 0.0071 0.0071 0.0071 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7071 -21.7071 -21.0525 -21.0525 -21.0525 -21.0525 2.5873 2.5873 4.1956 4.1956 4.3200 4.3200 4.3207 4.3207 4.3209 4.3209 4.4101 4.4101 4.4102 4.4102 4.9960 4.9960 4.9962 4.9962 5.1350 5.1350 5.3347 5.3347 5.3347 5.3347 5.5123 5.5123 5.5317 5.5317 5.6351 5.6351 5.6353 5.6353 11.0448 11.0448 11.0449 11.0449 12.0074 12.0074 12.0178 12.0178 12.0479 12.0479 13.2716 13.2716 13.2747 13.2747 13.2944 13.2944 17.0809 17.0809 k = 0.0143 0.0143 0.0143 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7072 -21.7072 -21.0525 -21.0525 -21.0525 -21.0525 2.5920 2.5920 4.1966 4.1966 4.3207 4.3207 4.3213 4.3213 4.3219 4.3219 4.4108 4.4108 4.4112 4.4112 4.9957 4.9957 4.9965 4.9965 5.1349 5.1349 5.3343 5.3343 5.3344 5.3344 5.5111 5.5111 5.5311 5.5311 5.6336 5.6336 5.6344 5.6344 11.0231 11.0231 11.0236 11.0236 11.9899 11.9899 12.0368 12.0368 12.0619 12.0619 13.2722 13.2722 13.2810 13.2810 13.3036 13.3036 17.0842 17.0844 k = 0.0214 0.0214 0.0214 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7072 -21.7072 -21.0526 -21.0526 -21.0526 -21.0526 2.5999 2.5999 4.1984 4.1984 4.3220 4.3220 4.3222 4.3222 4.3237 4.3237 4.4120 4.4120 4.4129 4.4129 4.9953 4.9953 4.9969 4.9969 5.1348 5.1348 5.3337 5.3337 5.3339 5.3339 5.5092 5.5092 5.5301 5.5301 5.6312 5.6312 5.6330 5.6330 10.9891 10.9891 10.9900 10.9900 11.9569 11.9569 12.0664 12.0664 12.0883 12.0883 13.2732 13.2732 13.2856 13.2856 13.3238 13.3238 17.0897 17.0898 k = 0.0286 0.0286 0.0286 ( 4945 PWs) bands (ev): -45.0186 -45.0186 -21.7073 -21.7073 -21.0526 -21.0526 -21.0526 -21.0526 2.6108 2.6108 4.2009 4.2009 4.3236 4.3236 4.3237 4.3237 4.3261 4.3261 4.4136 4.4136 4.4153 4.4153 4.9947 4.9947 4.9976 4.9976 5.1347 5.1347 5.3328 5.3328 5.3332 5.3332 5.5064 5.5064 5.5287 5.5287 5.6278 5.6278 5.6311 5.6311 10.9449 10.9449 10.9464 10.9464 11.9115 11.9115 12.1038 12.1038 12.1233 12.1233 13.2750 13.2750 13.2894 13.2894 13.3527 13.3527 17.0977 17.0983 k = 0.0357 0.0357 0.0357 ( 4948 PWs) bands (ev): -45.0186 -45.0186 -21.7073 -21.7073 -21.0527 -21.0527 -21.0527 -21.0527 2.6249 2.6249 4.2041 4.2041 4.3252 4.3252 4.3259 4.3259 4.3292 4.3292 4.4157 4.4157 4.4183 4.4183 4.9938 4.9938 4.9984 4.9984 5.1345 5.1345 5.3317 5.3317 5.3323 5.3323 5.5027 5.5027 5.5270 5.5270 5.6235 5.6235 5.6286 5.6286 10.8931 10.8931 10.8950 10.8950 11.8560 11.8560 12.1464 12.1464 12.1635 12.1635 13.2777 13.2777 13.2937 13.2937 13.3875 13.3875 17.1076 17.1081 k = 0.0429 0.0429 0.0429 ( 4960 PWs) bands (ev): -45.0186 -45.0186 -21.7074 -21.7074 -21.0529 -21.0529 -21.0528 -21.0528 2.6421 2.6421 4.2079 4.2079 4.3273 4.3273 4.3286 4.3286 4.3330 4.3330 4.4183 4.4183 4.4221 4.4221 4.9928 4.9928 4.9994 4.9994 5.1343 5.1343 5.3303 5.3303 5.3311 5.3311 5.4981 5.4981 5.5248 5.5248 5.6183 5.6183 5.6257 5.6257 10.8356 10.8356 10.8378 10.8378 11.7926 11.7926 12.1917 12.1917 12.2064 12.2064 13.2819 13.2819 13.2995 13.2995 13.4260 13.4260 17.1204 17.1206 k = 0.0500 0.0500 0.0500 ( 4960 PWs) bands (ev): -45.0186 -45.0186 -21.7075 -21.7075 -21.0530 -21.0530 -21.0529 -21.0529 2.6624 2.6624 4.2125 4.2125 4.3297 4.3297 4.3317 4.3317 4.3374 4.3374 4.4213 4.4213 4.4265 4.4265 4.9916 4.9916 5.0006 5.0006 5.1342 5.1342 5.3286 5.3286 5.3298 5.3298 5.4927 5.4927 5.5222 5.5222 5.6121 5.6121 5.6225 5.6225 10.7741 10.7741 10.7764 10.7764 11.7229 11.7229 12.2374 12.2374 12.2497 12.2497 13.2879 13.2879 13.3072 13.3072 13.4667 13.4667 17.1358 17.1359 k = 0.0571 0.0571 0.0571 ( 4960 PWs) bands (ev): -45.0186 -45.0186 -21.7077 -21.7077 -21.0531 -21.0531 -21.0530 -21.0530 2.6857 2.6857 4.2177 4.2177 4.3325 4.3325 4.3353 4.3353 4.3425 4.3425 4.4248 4.4248 4.4317 4.4317 4.9901 4.9901 5.0020 5.0020 5.1340 5.1340 5.3267 5.3267 5.3282 5.3282 5.4864 5.4864 5.5192 5.5192 5.6050 5.6050 5.6189 5.6189 10.7099 10.7099 10.7122 10.7122 11.6483 11.6483 12.2817 12.2817 12.2915 12.2915 13.2962 13.2962 13.3173 13.3173 13.5085 13.5085 17.1540 17.1542 k = 0.0643 0.0643 0.0643 ( 4972 PWs) bands (ev): -45.0185 -45.0185 -21.7078 -21.7078 -21.0533 -21.0533 -21.0532 -21.0532 2.7121 2.7121 4.2236 4.2236 4.3356 4.3356 4.3393 4.3393 4.3481 4.3481 4.4288 4.4288 4.4375 4.4375 4.9884 4.9884 5.0035 5.0035 5.1339 5.1339 5.3246 5.3246 5.3265 5.3265 5.4792 5.4792 5.5157 5.5157 5.5971 5.5971 5.6150 5.6150 10.6441 10.6441 10.6461 10.6461 11.5701 11.5701 12.3229 12.3229 12.3301 12.3301 13.3074 13.3074 13.3305 13.3305 13.5504 13.5504 17.1750 17.1750 k = 0.0714 0.0714 0.0714 ( 4972 PWs) bands (ev): -45.0185 -45.0185 -21.7080 -21.7080 -21.0535 -21.0535 -21.0533 -21.0533 2.7415 2.7415 4.2301 4.2301 4.3390 4.3390 4.3437 4.3437 4.3543 4.3543 4.4333 4.4333 4.4441 4.4441 4.9864 4.9864 5.0052 5.0052 5.1339 5.1339 5.3222 5.3222 5.3245 5.3245 5.4712 5.4712 5.5117 5.5117 5.5882 5.5882 5.6110 5.6110 10.5773 10.5773 10.5790 10.5790 11.4892 11.4892 12.3595 12.3595 12.3642 12.3642 13.3219 13.3219 13.3470 13.3470 13.5918 13.5918 17.1991 17.1991 k = 0.0786 0.0786 0.0786 ( 4966 PWs) bands (ev): -45.0185 -45.0185 -21.7081 -21.7081 -21.0537 -21.0537 -21.0535 -21.0535 2.7738 2.7738 4.2373 4.2373 4.3428 4.3428 4.3484 4.3484 4.3609 4.3609 4.4384 4.4384 4.4513 4.4513 4.9843 4.9843 5.0071 5.0071 5.1339 5.1339 5.3196 5.3196 5.3222 5.3222 5.4623 5.4623 5.5070 5.5070 5.5786 5.5786 5.6069 5.6069 10.5102 10.5102 10.5115 10.5115 11.4063 11.4063 12.3906 12.3906 12.3928 12.3928 13.3401 13.3401 13.3672 13.3672 13.6319 13.6319 17.2261 17.2261 k = 0.0857 0.0857 0.0857 ( 4960 PWs) bands (ev): -45.0185 -45.0185 -21.7083 -21.7083 -21.0539 -21.0539 -21.0537 -21.0537 2.8091 2.8091 4.2451 4.2451 4.3469 4.3469 4.3536 4.3536 4.3681 4.3681 4.4439 4.4439 4.4593 4.4593 4.9818 4.9818 5.0091 5.0091 5.1340 5.1340 5.3168 5.3168 5.3198 5.3198 5.4526 5.4526 5.5017 5.5017 5.5682 5.5682 5.6028 5.6028 10.4432 10.4432 10.4440 10.4440 11.3223 11.3223 12.4152 12.4152 12.4153 12.4153 13.3623 13.3623 13.3911 13.3911 13.6706 13.6706 17.2560 17.2560 k = 0.0929 0.0929 0.0929 ( 4966 PWs) bands (ev): -45.0184 -45.0184 -21.7085 -21.7085 -21.0541 -21.0541 -21.0539 -21.0539 2.8473 2.8473 4.2535 4.2535 4.3513 4.3513 4.3590 4.3590 4.3756 4.3756 4.4499 4.4499 4.4679 4.4679 4.9792 4.9792 5.0112 5.0112 5.1341 5.1341 5.3137 5.3137 5.3170 5.3170 5.4421 5.4421 5.4956 5.4956 5.5571 5.5571 5.5988 5.5988 10.3769 10.3769 10.3770 10.3770 11.2376 11.2376 12.4310 12.4310 12.4332 12.4332 13.3882 13.3882 13.4187 13.4187 13.7075 13.7075 17.2887 17.2887 k = 0.1000 0.1000 0.1000 ( 4966 PWs) bands (ev): -45.0184 -45.0184 -21.7087 -21.7087 -21.0544 -21.0544 -21.0541 -21.0541 2.8882 2.8882 4.2625 4.2625 4.3560 4.3560 4.3648 4.3648 4.3835 4.3835 4.4565 4.4565 4.4772 4.4772 4.9763 4.9763 5.0135 5.0135 5.1344 5.1344 5.3104 5.3104 5.3140 5.3140 5.4308 5.4308 5.4888 5.4888 5.5452 5.5452 5.5949 5.5949 10.3108 10.3108 10.3113 10.3113 11.1528 11.1528 12.4403 12.4403 12.4441 12.4441 13.4178 13.4178 13.4496 13.4496 13.7425 13.7425 17.3237 17.3237 k = 0.1071 0.1071 0.1071 ( 4969 PWs) bands (ev): -45.0184 -45.0184 -21.7089 -21.7089 -21.0547 -21.0547 -21.0543 -21.0543 2.9319 2.9319 4.2720 4.2720 4.3610 4.3610 4.3710 4.3710 4.3917 4.3917 4.4637 4.4637 4.4872 4.4872 4.9732 4.9732 5.0159 5.0159 5.1347 5.1347 5.3069 5.3069 5.3107 5.3107 5.4188 5.4188 5.4812 5.4812 5.5328 5.5328 5.5912 5.5912 10.2456 10.2456 10.2469 10.2469 11.0683 11.0683 12.4431 12.4431 12.4483 12.4483 13.4504 13.4504 13.4831 13.4831 13.7755 13.7755 17.3606 17.3606 k = 0.1143 0.1143 0.1143 ( 4962 PWs) bands (ev): -45.0183 -45.0183 -21.7092 -21.7092 -21.0549 -21.0549 -21.0545 -21.0545 2.9783 2.9783 4.2821 4.2821 4.3663 4.3663 4.3774 4.3774 4.4000 4.4000 4.4714 4.4714 4.4979 4.4979 4.9700 4.9700 5.0184 5.0184 5.1351 5.1351 5.3032 5.3032 5.3071 5.3071 5.4062 5.4062 5.4729 5.4729 5.5198 5.5198 5.5878 5.5878 10.1817 10.1817 10.1838 10.1838 10.9844 10.9844 12.4399 12.4399 12.4461 12.4461 13.4853 13.4853 13.5188 13.5188 13.8063 13.8063 17.3985 17.3985 k = 0.1214 0.1214 0.1214 ( 4962 PWs) bands (ev): -45.0183 -45.0183 -21.7094 -21.7094 -21.0552 -21.0552 -21.0548 -21.0548 3.0272 3.0272 4.2927 4.2927 4.3718 4.3718 4.3842 4.3842 4.4085 4.4085 4.4798 4.4798 4.5092 4.5092 4.9667 4.9667 5.0211 5.0211 5.1356 5.1356 5.2993 5.2993 5.3032 5.3032 5.3929 5.3929 5.4639 5.4639 5.5064 5.5064 5.5846 5.5846 10.1191 10.1191 10.1221 10.1221 10.9015 10.9015 12.4313 12.4313 12.4380 12.4380 13.5219 13.5219 13.5558 13.5558 13.8350 13.8350 17.4362 17.4362 k = 0.1286 0.1286 0.1286 ( 4962 PWs) bands (ev): -45.0183 -45.0183 -21.7097 -21.7097 -21.0555 -21.0555 -21.0550 -21.0550 3.0787 3.0787 4.3037 4.3037 4.3777 4.3777 4.3913 4.3913 4.4171 4.4171 4.4888 4.4888 4.5211 4.5211 4.9633 4.9633 5.0238 5.0238 5.1360 5.1360 5.2952 5.2952 5.2988 5.2988 5.3790 5.3790 5.4541 5.4541 5.4926 5.4926 5.5816 5.5816 10.0582 10.0582 10.0621 10.0621 10.8198 10.8198 12.4176 12.4176 12.4247 12.4247 13.5594 13.5594 13.5934 13.5934 13.8615 13.8615 17.4723 17.4723 k = 0.1357 0.1357 0.1357 ( 4962 PWs) bands (ev): -45.0182 -45.0182 -21.7099 -21.7099 -21.0558 -21.0558 -21.0553 -21.0553 3.1325 3.1325 4.3152 4.3152 4.3838 4.3838 4.3987 4.3987 4.4256 4.4256 4.4984 4.4984 4.5336 4.5336 4.9599 4.9599 5.0267 5.0267 5.1364 5.1364 5.2909 5.2909 5.2940 5.2940 5.3647 5.3647 5.4438 5.4438 5.4786 5.4786 5.5789 5.5789 9.9989 9.9989 10.0038 10.0038 10.7396 10.7396 12.3995 12.3995 12.4068 12.4068 13.5972 13.5972 13.6312 13.6312 13.8858 13.8858 17.5047 17.5047 k = 0.1429 0.1429 0.1429 ( 4956 PWs) bands (ev): -45.0182 -45.0182 -21.7102 -21.7102 -21.0562 -21.0562 -21.0556 -21.0556 3.1884 3.1884 4.3270 4.3270 4.3901 4.3901 4.4065 4.4065 4.4340 4.4340 4.5086 4.5086 4.5468 4.5468 4.9565 4.9565 5.0296 5.0296 5.1367 5.1367 5.2863 5.2863 5.2886 5.2886 5.3500 5.3500 5.4328 5.4328 5.4644 5.4644 5.5764 5.5764 9.9415 9.9415 9.9473 9.9473 10.6612 10.6612 12.3775 12.3775 12.3847 12.3847 13.6345 13.6345 13.6683 13.6683 13.9079 13.9079 17.5309 17.5309 k = 0.1500 0.1500 0.1500 ( 4968 PWs) bands (ev): -45.0181 -45.0181 -21.7105 -21.7105 -21.0565 -21.0565 -21.0558 -21.0558 3.2464 3.2464 4.3392 4.3392 4.3966 4.3966 4.4147 4.4147 4.4423 4.4423 4.5194 4.5194 4.5605 4.5605 4.9534 4.9534 5.0326 5.0326 5.1369 5.1369 5.2816 5.2816 5.2827 5.2827 5.3350 5.3350 5.4214 5.4214 5.4504 5.4504 5.5741 5.5741 9.8859 9.8859 9.8928 9.8928 10.5846 10.5846 12.3520 12.3520 12.3590 12.3590 13.6710 13.6710 13.7045 13.7045 13.9277 13.9277 17.5482 17.5482 k = 0.1571 0.1571 0.1571 ( 4956 PWs) bands (ev): -45.0181 -45.0181 -21.7107 -21.7107 -21.0568 -21.0568 -21.0561 -21.0561 3.3063 3.3063 4.3516 4.3516 4.4034 4.4034 4.4233 4.4233 4.4504 4.4504 4.5307 4.5307 4.5748 4.5748 4.9505 4.9505 5.0358 5.0358 5.1367 5.1367 5.2761 5.2761 5.2767 5.2767 5.3200 5.3200 5.4096 5.4096 5.4365 5.4365 5.5719 5.5719 9.8323 9.8323 9.8402 9.8402 10.5102 10.5102 12.3234 12.3234 12.3301 12.3301 13.7062 13.7062 13.7393 13.7393 13.9452 13.9452 17.5540 17.5540 k = 0.1643 0.1643 0.1643 ( 4950 PWs) bands (ev): -45.0180 -45.0180 -21.7110 -21.7110 -21.0571 -21.0571 -21.0564 -21.0564 3.3677 3.3677 4.3642 4.3642 4.4103 4.4103 4.4325 4.4325 4.4583 4.4583 4.5425 4.5425 4.5896 4.5896 4.9481 4.9481 5.0390 5.0390 5.1362 5.1362 5.2687 5.2687 5.2715 5.2715 5.3051 5.3051 5.3975 5.3975 5.4231 5.4231 5.5700 5.5700 9.7808 9.7808 9.7896 9.7896 10.4380 10.4380 12.2922 12.2922 12.2984 12.2984 13.7398 13.7398 13.7724 13.7724 13.9603 13.9603 17.5461 17.5461 k = 0.1714 0.1714 0.1714 ( 4950 PWs) bands (ev): -45.0180 -45.0180 -21.7113 -21.7113 -21.0575 -21.0575 -21.0567 -21.0567 3.4303 3.4303 4.3770 4.3770 4.4172 4.4172 4.4421 4.4421 4.4660 4.4660 4.5546 4.5546 4.6051 4.6051 4.9461 4.9461 5.0422 5.0422 5.1350 5.1350 5.2605 5.2605 5.2659 5.2659 5.2908 5.2908 5.3851 5.3851 5.4103 5.4103 5.5681 5.5681 9.7313 9.7313 9.7411 9.7411 10.3683 10.3683 12.2586 12.2586 12.2642 12.2642 13.7715 13.7715 13.8036 13.8036 13.9729 13.9729 17.5236 17.5236 k = 0.1786 0.1786 0.1786 ( 4962 PWs) bands (ev): -45.0179 -45.0179 -21.7116 -21.7116 -21.0578 -21.0578 -21.0570 -21.0570 3.4939 3.4939 4.3899 4.3899 4.4242 4.4242 4.4524 4.4524 4.4735 4.4735 4.5670 4.5670 4.6213 4.6213 4.9449 4.9449 5.0456 5.0456 5.1330 5.1330 5.2514 5.2514 5.2597 5.2597 5.2777 5.2777 5.3726 5.3726 5.3984 5.3984 5.5664 5.5664 9.6839 9.6839 9.6947 9.6947 10.3011 10.3011 12.2229 12.2229 12.2279 12.2279 13.8012 13.8012 13.8328 13.8328 13.9828 13.9828 17.4867 17.4867 k = 0.1857 0.1857 0.1857 ( 4950 PWs) bands (ev): -45.0179 -45.0179 -21.7119 -21.7119 -21.0582 -21.0582 -21.0574 -21.0574 3.5580 3.5580 4.4028 4.4028 4.4312 4.4312 4.4634 4.4634 4.4807 4.4807 4.5795 4.5795 4.6382 4.6382 4.9446 4.9446 5.0490 5.0490 5.1299 5.1299 5.2414 5.2414 5.2524 5.2524 5.2667 5.2667 5.3599 5.3599 5.3873 5.3873 5.5648 5.5648 9.6386 9.6386 9.6505 9.6505 10.2366 10.2366 12.1853 12.1853 12.1897 12.1897 13.8287 13.8287 13.8597 13.8597 13.9900 13.9900 17.4368 17.4368 k = 0.1929 0.1929 0.1929 ( 4944 PWs) bands (ev): -45.0179 -45.0179 -21.7122 -21.7122 -21.0585 -21.0585 -21.0577 -21.0577 3.6220 3.6220 4.4156 4.4156 4.4381 4.4381 4.4751 4.4751 4.4875 4.4875 4.5921 4.5921 4.6561 4.6561 4.9454 4.9454 5.0524 5.0524 5.1252 5.1252 5.2306 5.2306 5.2438 5.2438 5.2584 5.2584 5.3473 5.3473 5.3773 5.3773 5.5632 5.5632 9.5955 9.5955 9.6084 9.6084 10.1749 10.1749 12.1461 12.1461 12.1499 12.1499 13.8539 13.8539 13.8843 13.8843 13.9942 13.9942 17.3759 17.3759 k = 0.2000 0.2000 0.2000 ( 4941 PWs) bands (ev): -45.0178 -45.0178 -21.7125 -21.7125 -21.0589 -21.0589 -21.0580 -21.0580 3.6854 3.6854 4.4283 4.4283 4.4448 4.4448 4.4874 4.4874 4.4941 4.4941 4.6045 4.6045 4.6751 4.6751 4.9475 4.9475 5.0559 5.0559 5.1189 5.1189 5.2190 5.2190 5.2350 5.2350 5.2522 5.2522 5.3348 5.3348 5.3684 5.3684 5.5618 5.5618 9.5546 9.5546 9.5685 9.5685 10.1162 10.1162 12.1055 12.1055 12.1085 12.1085 13.8769 13.8769 13.9065 13.9065 13.9952 13.9952 17.3066 17.3066 k = 0.2071 0.2071 0.2071 ( 4947 PWs) bands (ev): -45.0178 -45.0178 -21.7128 -21.7128 -21.0592 -21.0592 -21.0583 -21.0583 3.7474 3.7474 4.4406 4.4406 4.4515 4.4515 4.5003 4.5003 4.5003 4.5003 4.6167 4.6167 4.6957 4.6957 4.9512 4.9512 5.0594 5.0594 5.1107 5.1107 5.2070 5.2070 5.2270 5.2270 5.2475 5.2475 5.3224 5.3224 5.3605 5.3605 5.5604 5.5604 9.5159 9.5159 9.5307 9.5307 10.0604 10.0604 12.0635 12.0635 12.0658 12.0658 13.8976 13.8976 13.9263 13.9263 13.9926 13.9926 17.2308 17.2308 k = 0.2143 0.2143 0.2143 ( 4953 PWs) bands (ev): -45.0177 -45.0177 -21.7131 -21.7131 -21.0596 -21.0596 -21.0587 -21.0587 3.8073 3.8073 4.4521 4.4521 4.4583 4.4583 4.5061 4.5061 4.5138 4.5138 4.6284 4.6284 4.7180 4.7180 4.9568 4.9568 5.0629 5.0629 5.1008 5.1008 5.1947 5.1947 5.2200 5.2200 5.2443 5.2443 5.3104 5.3104 5.3537 5.3537 5.5591 5.5591 9.4794 9.4794 9.4951 9.4951 10.0078 10.0078 12.0204 12.0204 12.0220 12.0220 13.9160 13.9160 13.9434 13.9434 13.9865 13.9865 17.1505 17.1505 k = 0.2214 0.2214 0.2214 ( 4944 PWs) bands (ev): -45.0177 -45.0177 -21.7135 -21.7135 -21.0599 -21.0599 -21.0590 -21.0590 3.8643 3.8643 4.4610 4.4610 4.4665 4.4665 4.5115 4.5115 4.5278 4.5278 4.6395 4.6395 4.7422 4.7422 4.9646 4.9646 5.0663 5.0663 5.0898 5.0898 5.1826 5.1826 5.2137 5.2137 5.2429 5.2429 5.2987 5.2987 5.3478 5.3478 5.5579 5.5579 9.4451 9.4451 9.4616 9.4616 9.9583 9.9583 11.9763 11.9763 11.9772 11.9772 13.9321 13.9321 13.9561 13.9561 13.9780 13.9780 17.0675 17.0675 k = 0.2286 0.2286 0.2286 ( 4950 PWs) bands (ev): -45.0176 -45.0176 -21.7138 -21.7138 -21.0603 -21.0603 -21.0593 -21.0593 3.9175 3.9175 4.4672 4.4672 4.4760 4.4760 4.5163 4.5163 4.5421 4.5421 4.6498 4.6498 4.7684 4.7684 4.9750 4.9750 5.0697 5.0697 5.0782 5.0782 5.1708 5.1708 5.2075 5.2075 5.2440 5.2440 5.2876 5.2876 5.3429 5.3429 5.5567 5.5567 9.4129 9.4129 9.4303 9.4303 9.9122 9.9122 11.9313 11.9313 11.9314 11.9314 13.9459 13.9459 13.9530 13.9530 13.9780 13.9780 16.9830 16.9830 k = 0.2357 0.2357 0.2357 ( 4956 PWs) bands (ev): -45.0175 -45.0175 -21.7141 -21.7141 -21.0606 -21.0606 -21.0597 -21.0597 3.9664 3.9664 4.4722 4.4722 4.4849 4.4849 4.5206 4.5206 4.5566 4.5566 4.6592 4.6592 4.7959 4.7959 4.9884 4.9884 5.0670 5.0670 5.0730 5.0730 5.1599 5.1599 5.2012 5.2012 5.2485 5.2485 5.2771 5.2771 5.3388 5.3388 5.5556 5.5556 9.3830 9.3830 9.4012 9.4012 9.8693 9.8693 11.8848 11.8848 11.8854 11.8854 13.9336 13.9336 13.9575 13.9575 13.9867 13.9867 16.8981 16.8981 k = 0.2429 0.2429 0.2429 ( 4950 PWs) bands (ev): -45.0175 -45.0175 -21.7144 -21.7144 -21.0610 -21.0610 -21.0600 -21.0600 4.0104 4.0104 4.4764 4.4764 4.4922 4.4922 4.5242 4.5242 4.5713 4.5713 4.6676 4.6676 4.8232 4.8232 5.0045 5.0045 5.0578 5.0578 5.0759 5.0759 5.1501 5.1501 5.1947 5.1947 5.2572 5.2572 5.2672 5.2672 5.3356 5.3356 5.5546 5.5546 9.3552 9.3552 9.3742 9.3742 9.8298 9.8298 11.8376 11.8376 11.8389 11.8389 13.9064 13.9064 13.9669 13.9669 13.9947 13.9947 16.8137 16.8137 k = 0.2500 0.2500 0.2500 ( 4953 PWs) bands (ev): -45.0174 -45.0174 -21.7147 -21.7147 -21.0613 -21.0613 -21.0603 -21.0603 4.0492 4.0492 4.4799 4.4799 4.4978 4.4978 4.5271 4.5271 4.5859 4.5859 4.6746 4.6746 4.8483 4.8483 5.0193 5.0193 5.0554 5.0554 5.0785 5.0785 5.1419 5.1419 5.1879 5.1879 5.2582 5.2582 5.2721 5.2721 5.3331 5.3331 5.5536 5.5536 9.3295 9.3295 9.3493 9.3493 9.7938 9.7938 11.7897 11.7897 11.7917 11.7917 13.8722 13.8722 13.9741 13.9741 14.0009 14.0009 16.7305 16.7305 k = 0.2571 0.2571 0.2571 ( 4953 PWs) bands (ev): -45.0174 -45.0174 -21.7150 -21.7150 -21.0616 -21.0616 -21.0606 -21.0606 4.0829 4.0829 4.4825 4.4825 4.5016 4.5016 4.5291 4.5291 4.6003 4.6003 4.6804 4.6804 4.8690 4.8690 5.0238 5.0238 5.0682 5.0682 5.0804 5.0804 5.1357 5.1357 5.1812 5.1812 5.2500 5.2500 5.2958 5.2958 5.3314 5.3314 5.5527 5.5527 9.3060 9.3060 9.3265 9.3265 9.7613 9.7613 11.7413 11.7413 11.7439 11.7439 13.8307 13.8307 13.9793 13.9793 14.0051 14.0051 16.6359 16.6359 k = 0.2643 0.2643 0.2643 ( 4953 PWs) bands (ev): -45.0173 -45.0173 -21.7153 -21.7153 -21.0619 -21.0619 -21.0610 -21.0610 4.1119 4.1119 4.4842 4.4842 4.5034 4.5034 4.5302 4.5302 4.6143 4.6143 4.6849 4.6849 4.8841 4.8841 5.0222 5.0222 5.0816 5.0816 5.0896 5.0896 5.1317 5.1317 5.1748 5.1748 5.2427 5.2427 5.3305 5.3305 5.3315 5.3315 5.5519 5.5519 9.2847 9.2847 9.3057 9.3057 9.7323 9.7323 11.6923 11.6923 11.6957 11.6957 13.7813 13.7813 13.9823 13.9823 14.0072 14.0072 16.5142 16.5142 k = 0.2714 0.2714 0.2714 ( 4947 PWs) bands (ev): -45.0173 -45.0173 -21.7155 -21.7155 -21.0622 -21.0622 -21.0613 -21.0613 4.1365 4.1365 4.4849 4.4849 4.5036 4.5036 4.5302 4.5302 4.6278 4.6278 4.6881 4.6881 4.8935 4.8935 5.0211 5.0211 5.0821 5.0821 5.1096 5.1096 5.1301 5.1301 5.1693 5.1693 5.2364 5.2364 5.3305 5.3305 5.3817 5.3817 5.5512 5.5512 9.2654 9.2654 9.2870 9.2870 9.7068 9.7068 11.6430 11.6430 11.6470 11.6470 13.7236 13.7236 13.9833 13.9833 14.0072 14.0072 16.3984 16.3984 k = 0.2786 0.2786 0.2786 ( 4953 PWs) bands (ev): -45.0172 -45.0172 -21.7158 -21.7158 -21.0625 -21.0625 -21.0616 -21.0616 4.1572 4.1572 4.4844 4.4844 4.5022 4.5022 4.5290 4.5290 4.6406 4.6406 4.6900 4.6900 4.8982 4.8982 5.0219 5.0219 5.0821 5.0821 5.1246 5.1246 5.1304 5.1304 5.1653 5.1653 5.2311 5.2311 5.3314 5.3314 5.4462 5.4462 5.5508 5.5508 9.2481 9.2481 9.2703 9.2703 9.6849 9.6849 11.5933 11.5933 11.5979 11.5979 13.6573 13.6573 13.9823 13.9823 14.0053 14.0053 16.2924 16.2924 k = 0.2857 0.2857 0.2857 ( 4947 PWs) bands (ev): -45.0172 -45.0172 -21.7161 -21.7161 -21.0628 -21.0628 -21.0619 -21.0619 4.1746 4.1746 4.4827 4.4827 4.4994 4.4994 4.5264 4.5264 4.6524 4.6524 4.6910 4.6910 4.8999 4.8999 5.0238 5.0238 5.0819 5.0819 5.1323 5.1323 5.1337 5.1337 5.1644 5.1644 5.2269 5.2269 5.3331 5.3331 5.5208 5.5208 5.5530 5.5530 9.2329 9.2329 9.2557 9.2557 9.6665 9.6665 11.5434 11.5434 11.5485 11.5485 13.5823 13.5823 13.9794 13.9794 14.0013 14.0013 16.1965 16.1965 k = 0.2929 0.2929 0.2929 ( 4959 PWs) bands (ev): -45.0171 -45.0171 -21.7164 -21.7164 -21.0631 -21.0631 -21.0622 -21.0622 4.1892 4.1892 4.4798 4.4798 4.4954 4.4954 4.5224 4.5224 4.6633 4.6633 4.6913 4.6913 4.9000 4.9000 5.0258 5.0258 5.0818 5.0818 5.1353 5.1353 5.1370 5.1370 5.1676 5.1676 5.2240 5.2240 5.3359 5.3359 5.5465 5.5465 5.6144 5.6144 9.2198 9.2198 9.2430 9.2430 9.6517 9.6517 11.4931 11.4931 11.4988 11.4988 13.4986 13.4986 13.9747 13.9747 13.9955 13.9955 16.1109 16.1109 k = 0.3000 0.3000 0.3000 ( 4968 PWs) bands (ev): -45.0171 -45.0171 -21.7166 -21.7166 -21.0634 -21.0634 -21.0625 -21.0625 4.2013 4.2013 4.4755 4.4755 4.4905 4.4905 4.5170 4.5170 4.6728 4.6728 4.6910 4.6910 4.9000 4.9000 5.0269 5.0269 5.0821 5.0821 5.1367 5.1367 5.1390 5.1390 5.1735 5.1735 5.2227 5.2227 5.3397 5.3397 5.5469 5.5469 5.7094 5.7094 9.2086 9.2086 9.2322 9.2322 9.6404 9.6404 11.4427 11.4427 11.4489 11.4489 13.4066 13.4066 13.9681 13.9681 13.9879 13.9879 16.0353 16.0353 k = 0.3071 0.3071 0.3071 ( 4953 PWs) bands (ev): -45.0171 -45.0171 -21.7169 -21.7169 -21.0637 -21.0637 -21.0628 -21.0628 4.2114 4.2114 4.4699 4.4699 4.4846 4.4846 4.5101 4.5101 4.6811 4.6811 4.6904 4.6904 4.9007 4.9007 5.0267 5.0267 5.0826 5.0826 5.1350 5.1350 5.1431 5.1431 5.1803 5.1803 5.2233 5.2233 5.3445 5.3445 5.5466 5.5466 5.8117 5.8117 9.1993 9.1993 9.2233 9.2233 9.6326 9.6326 11.3921 11.3921 11.3988 11.3988 13.3068 13.3068 13.9599 13.9599 13.9785 13.9785 15.9692 15.9692 k = 0.3143 0.3143 0.3143 ( 4947 PWs) bands (ev): -45.0170 -45.0170 -21.7171 -21.7171 -21.0639 -21.0639 -21.0631 -21.0631 4.2198 4.2198 4.4631 4.4631 4.4780 4.4780 4.5017 4.5017 4.6881 4.6881 4.6897 4.6897 4.9026 4.9026 5.0250 5.0250 5.0835 5.0835 5.1328 5.1328 5.1475 5.1475 5.1867 5.1867 5.2266 5.2266 5.3504 5.3504 5.5463 5.5463 5.9196 5.9196 9.1920 9.1920 9.2163 9.2163 9.6283 9.6283 11.3414 11.3414 11.3486 11.3486 13.1996 13.1996 13.9500 13.9500 13.9675 13.9675 15.9121 15.9121 k = 0.3214 0.3214 0.3214 ( 4941 PWs) bands (ev): -45.0170 -45.0170 -21.7174 -21.7174 -21.0642 -21.0642 -21.0634 -21.0634 4.2268 4.2268 4.4552 4.4552 4.4708 4.4708 4.4921 4.4921 4.6890 4.6890 4.6936 4.6936 4.9060 4.9060 5.0221 5.0221 5.0846 5.0846 5.1303 5.1303 5.1518 5.1518 5.1916 5.1916 5.2332 5.2332 5.3574 5.3574 5.5459 5.5459 6.0322 6.0322 9.1865 9.1865 9.2111 9.2111 9.6274 9.6274 11.2907 11.2907 11.2983 11.2983 13.0859 13.0859 13.9387 13.9387 13.9550 13.9550 15.8632 15.8632 k = 0.3286 0.3286 0.3286 ( 4941 PWs) bands (ev): -45.0169 -45.0169 -21.7176 -21.7176 -21.0644 -21.0644 -21.0637 -21.0637 4.2325 4.2325 4.4463 4.4463 4.4630 4.4630 4.4813 4.4813 4.6884 4.6884 4.6980 4.6980 4.9107 4.9107 5.0182 5.0182 5.0858 5.0858 5.1275 5.1275 5.1561 5.1561 5.1948 5.1948 5.2430 5.2430 5.3654 5.3654 5.5456 5.5456 6.1488 6.1488 9.1828 9.1828 9.2077 9.2077 9.6298 9.6298 11.2400 11.2400 11.2480 11.2480 12.9664 12.9664 13.9261 13.9261 13.9412 13.9412 15.8217 15.8217 k = 0.3357 0.3357 0.3357 ( 4941 PWs) bands (ev): -45.0169 -45.0169 -21.7178 -21.7178 -21.0646 -21.0646 -21.0639 -21.0639 4.2372 4.2372 4.4364 4.4364 4.4548 4.4548 4.4695 4.4695 4.6880 4.6880 4.7013 4.7013 4.9168 4.9168 5.0136 5.0136 5.0870 5.0870 5.1244 5.1244 5.1602 5.1602 5.1969 5.1969 5.2551 5.2551 5.3744 5.3744 5.5454 5.5454 6.2689 6.2689 9.1810 9.1810 9.2061 9.2061 9.6354 9.6354 11.1894 11.1894 11.1977 11.1977 12.8420 12.8420 13.9122 13.9122 13.9261 13.9261 15.7869 15.7869 k = 0.3429 0.3429 0.3429 ( 4941 PWs) bands (ev): -45.0168 -45.0168 -21.7180 -21.7180 -21.0649 -21.0649 -21.0642 -21.0642 4.2410 4.2410 4.4258 4.4258 4.4464 4.4464 4.4570 4.4570 4.6877 4.6877 4.7036 4.7036 4.9239 4.9239 5.0088 5.0088 5.0882 5.0882 5.1212 5.1212 5.1642 5.1642 5.1983 5.1983 5.2687 5.2687 5.3842 5.3842 5.5453 5.5453 6.3921 6.3921 9.1808 9.1808 9.2062 9.2062 9.6441 9.6441 11.1389 11.1389 11.1476 11.1476 12.7133 12.7133 13.8973 13.8973 13.9101 13.9101 15.7578 15.7578 k = 0.3500 0.3500 0.3500 ( 4935 PWs) bands (ev): -45.0168 -45.0168 -21.7183 -21.7183 -21.0651 -21.0651 -21.0644 -21.0644 4.2441 4.2441 4.4145 4.4145 4.4379 4.4379 4.4439 4.4439 4.6876 4.6876 4.7052 4.7052 4.9318 4.9318 5.0039 5.0039 5.0893 5.0893 5.1178 5.1178 5.1679 5.1679 5.1994 5.1994 5.2833 5.2833 5.3947 5.3947 5.5453 5.5453 6.5179 6.5179 9.1823 9.1823 9.2079 9.2079 9.6558 9.6558 11.0887 11.0887 11.0976 11.0976 12.5812 12.5812 13.8816 13.8816 13.8932 13.8932 15.7339 15.7339 k = 0.3571 0.3571 0.3571 ( 4935 PWs) bands (ev): -45.0168 -45.0168 -21.7185 -21.7185 -21.0653 -21.0653 -21.0647 -21.0647 4.2464 4.2464 4.4027 4.4027 4.4293 4.4293 4.4304 4.4304 4.6875 4.6875 4.7062 4.7062 4.9402 4.9402 4.9993 4.9993 5.0903 5.0903 5.1143 5.1143 5.1714 5.1714 5.2002 5.2002 5.2982 5.2982 5.4059 5.4059 5.5454 5.5454 6.6461 6.6461 9.1855 9.1855 9.2112 9.2112 9.6703 9.6703 11.0388 11.0388 11.0479 11.0479 12.4463 12.4463 13.8652 13.8652 13.8756 13.8756 15.7143 15.7143 k = 0.3643 0.3643 0.3643 ( 4923 PWs) bands (ev): -45.0167 -45.0167 -21.7186 -21.7186 -21.0655 -21.0655 -21.0649 -21.0649 4.2483 4.2483 4.3906 4.3906 4.4166 4.4166 4.4207 4.4207 4.6876 4.6876 4.7067 4.7067 4.9486 4.9486 4.9951 4.9951 5.0912 5.0912 5.1109 5.1109 5.1748 5.1748 5.2009 5.2009 5.3134 5.3134 5.4175 5.4175 5.5456 5.5456 6.7764 6.7764 9.1902 9.1902 9.2161 9.2161 9.6874 9.6874 10.9892 10.9892 10.9987 10.9987 12.3092 12.3092 13.8482 13.8482 13.8576 13.8576 15.6984 15.6984 k = 0.3714 0.3714 0.3714 ( 4920 PWs) bands (ev): -45.0167 -45.0167 -21.7188 -21.7188 -21.0656 -21.0656 -21.0651 -21.0651 4.2496 4.2496 4.3783 4.3783 4.4029 4.4029 4.4122 4.4122 4.6878 4.6878 4.7067 4.7067 4.9565 4.9565 4.9919 4.9919 5.0918 5.0918 5.1075 5.1075 5.1779 5.1779 5.2016 5.2016 5.3284 5.3284 5.4294 5.4294 5.5460 5.5460 6.9087 6.9087 9.1964 9.1964 9.2224 9.2224 9.7068 9.7068 10.9402 10.9402 10.9498 10.9498 12.1704 12.1704 13.8310 13.8310 13.8393 13.8393 15.6857 15.6857 k = 0.3786 0.3786 0.3786 ( 4932 PWs) bands (ev): -45.0167 -45.0167 -21.7190 -21.7190 -21.0658 -21.0658 -21.0653 -21.0653 4.2505 4.2505 4.3660 4.3660 4.3892 4.3892 4.4039 4.4039 4.6880 4.6880 4.7064 4.7064 4.9630 4.9630 4.9904 4.9904 5.0923 5.0923 5.1041 5.1041 5.1809 5.1809 5.2022 5.2022 5.3431 5.3431 5.4414 5.4414 5.5465 5.5465 7.0426 7.0426 9.2039 9.2039 9.2301 9.2301 9.7283 9.7283 10.8917 10.8917 10.9016 10.9016 12.0306 12.0306 13.8136 13.8136 13.8210 13.8210 15.6756 15.6756 k = 0.3857 0.3857 0.3857 ( 4932 PWs) bands (ev): -45.0166 -45.0166 -21.7192 -21.7192 -21.0660 -21.0660 -21.0655 -21.0655 4.2511 4.2511 4.3538 4.3538 4.3758 4.3758 4.3958 4.3958 4.6882 4.6882 4.7058 4.7058 4.9666 4.9666 4.9919 4.9919 5.0927 5.0927 5.1009 5.1009 5.1838 5.1838 5.2028 5.2028 5.3574 5.3574 5.4535 5.4535 5.5471 5.5471 7.1779 7.1779 9.2128 9.2128 9.2391 9.2391 9.7515 9.7515 10.8440 10.8440 10.8542 10.8542 11.8900 11.8900 13.7963 13.7963 13.8027 13.8027 15.6678 15.6678 k = 0.3929 0.3929 0.3929 ( 4932 PWs) bands (ev): -45.0166 -45.0166 -21.7193 -21.7193 -21.0661 -21.0661 -21.0657 -21.0657 4.2514 4.2514 4.3419 4.3419 4.3627 4.3627 4.3879 4.3879 4.6885 4.6885 4.7050 4.7050 4.9671 4.9671 4.9966 4.9966 5.0928 5.0928 5.0979 5.0979 5.1865 5.1865 5.2033 5.2033 5.3711 5.3711 5.4655 5.4655 5.5480 5.5480 7.3146 7.3146 9.2228 9.2228 9.2492 9.2492 9.7760 9.7760 10.7972 10.7972 10.8076 10.8076 11.7493 11.7493 13.7791 13.7791 13.7848 13.7848 15.6617 15.6617 k = 0.4000 0.4000 0.4000 ( 4938 PWs) bands (ev): -45.0166 -45.0166 -21.7194 -21.7194 -21.0662 -21.0662 -21.0659 -21.0659 4.2514 4.2514 4.3303 4.3303 4.3501 4.3501 4.3803 4.3803 4.6887 4.6887 4.7040 4.7040 4.9658 4.9658 5.0031 5.0031 5.0929 5.0929 5.0951 5.0951 5.1890 5.1890 5.2038 5.2038 5.3841 5.3841 5.4772 5.4772 5.5490 5.5490 7.4523 7.4523 9.2339 9.2339 9.2604 9.2604 9.8013 9.8013 10.7515 10.7515 10.7620 10.7620 11.6088 11.6088 13.7624 13.7624 13.7672 13.7672 15.6569 15.6569 k = 0.4071 0.4071 0.4071 ( 4932 PWs) bands (ev): -45.0165 -45.0165 -21.7196 -21.7196 -21.0664 -21.0664 -21.0661 -21.0661 4.2512 4.2512 4.3193 4.3193 4.3380 4.3380 4.3731 4.3731 4.6889 4.6889 4.7028 4.7028 4.9639 4.9639 5.0101 5.0101 5.0926 5.0926 5.0928 5.0928 5.1914 5.1914 5.2043 5.2043 5.3963 5.3963 5.4886 5.4886 5.5502 5.5502 7.5910 7.5910 9.2459 9.2459 9.2726 9.2726 9.8269 9.8269 10.7069 10.7069 10.7177 10.7177 11.4689 11.4689 13.7462 13.7462 13.7503 13.7503 15.6531 15.6531 k = 0.4143 0.4143 0.4143 ( 4926 PWs) bands (ev): -45.0165 -45.0165 -21.7197 -21.7197 -21.0665 -21.0665 -21.0662 -21.0662 4.2507 4.2507 4.3088 4.3088 4.3266 4.3266 4.3663 4.3663 4.6891 4.6891 4.7015 4.7015 4.9618 4.9618 5.0170 5.0170 5.0904 5.0904 5.0926 5.0926 5.1937 5.1937 5.2048 5.2048 5.4077 5.4077 5.4996 5.4996 5.5516 5.5516 7.7304 7.7304 9.2586 9.2586 9.2855 9.2855 9.8519 9.8519 10.6638 10.6638 10.6748 10.6748 11.3303 11.3303 13.7307 13.7307 13.7341 13.7341 15.6498 15.6499 k = 0.4214 0.4214 0.4214 ( 4920 PWs) bands (ev): -45.0165 -45.0165 -21.7198 -21.7198 -21.0666 -21.0666 -21.0664 -21.0664 4.2501 4.2501 4.2991 4.2991 4.3158 4.3158 4.3599 4.3599 4.6893 4.6893 4.7002 4.7002 4.9599 4.9599 5.0234 5.0234 5.0886 5.0886 5.0924 5.0924 5.1959 5.1959 5.2052 5.2052 5.4181 5.4181 5.5100 5.5100 5.5532 5.5532 7.8704 7.8704 9.2719 9.2719 9.2990 9.2990 9.8755 9.8755 10.6223 10.6223 10.6335 10.6335 11.1936 11.1936 13.7160 13.7160 13.7188 13.7188 15.6466 15.6466 k = 0.4286 0.4286 0.4286 ( 4917 PWs) bands (ev): -45.0165 -45.0165 -21.7199 -21.7199 -21.0667 -21.0667 -21.0665 -21.0665 4.2492 4.2492 4.2901 4.2901 4.3058 4.3058 4.3539 4.3539 4.6895 4.6895 4.6988 4.6988 4.9581 4.9581 5.0292 5.0292 5.0872 5.0872 5.0920 5.0920 5.1979 5.1979 5.2056 5.2056 5.4275 5.4275 5.5197 5.5197 5.5550 5.5550 8.0108 8.0108 9.2856 9.2856 9.3128 9.3128 9.8963 9.8963 10.5828 10.5828 10.5942 10.5942 11.0598 11.0598 13.7022 13.7022 13.7045 13.7045 15.6409 15.6409 k = 0.4357 0.4357 0.4357 ( 4911 PWs) bands (ev): -45.0165 -45.0165 -21.7200 -21.7200 -21.0668 -21.0668 -21.0666 -21.0666 4.2481 4.2481 4.2821 4.2821 4.2966 4.2966 4.3485 4.3485 4.6896 4.6896 4.6974 4.6974 4.9566 4.9566 5.0342 5.0342 5.0862 5.0862 5.0917 5.0917 5.1997 5.1997 5.2060 5.2060 5.4358 5.4358 5.5288 5.5288 5.5569 5.5569 8.1515 8.1515 9.2993 9.2993 9.3268 9.3268 9.9127 9.9127 10.5454 10.5454 10.5570 10.5570 10.9301 10.9301 13.6894 13.6894 13.6913 13.6913 15.6314 15.6314 k = 0.4429 0.4429 0.4429 ( 4914 PWs) bands (ev): -45.0164 -45.0164 -21.7201 -21.7201 -21.0668 -21.0668 -21.0667 -21.0667 4.2468 4.2468 4.2751 4.2751 4.2882 4.2882 4.3435 4.3435 4.6897 4.6897 4.6961 4.6961 4.9552 4.9552 5.0383 5.0383 5.0857 5.0857 5.0913 5.0913 5.2014 5.2014 5.2064 5.2064 5.4432 5.4432 5.5371 5.5371 5.5589 5.5589 8.2922 8.2922 9.3129 9.3129 9.3406 9.3406 9.9222 9.9222 10.5105 10.5105 10.5223 10.5223 10.8067 10.8067 13.6777 13.6777 13.6792 13.6792 15.6233 15.6233 k = 0.4500 0.4500 0.4500 ( 4914 PWs) bands (ev): -45.0164 -45.0164 -21.7202 -21.7202 -21.0669 -21.0669 -21.0668 -21.0668 4.2450 4.2450 4.2693 4.2693 4.2808 4.2808 4.3391 4.3391 4.6898 4.6898 4.6948 4.6948 4.9540 4.9540 5.0417 5.0417 5.0857 5.0857 5.0909 5.0909 5.2029 5.2029 5.2068 5.2068 5.4495 5.4495 5.5445 5.5445 5.5609 5.5609 8.4328 8.4328 9.3261 9.3261 9.3540 9.3540 9.9214 9.9214 10.4784 10.4784 10.4904 10.4904 10.6926 10.6926 13.6673 13.6673 13.6684 13.6684 15.6164 15.6164 k = 0.4571 0.4571 0.4571 ( 4911 PWs) bands (ev): -45.0164 -45.0164 -21.7202 -21.7202 -21.0670 -21.0670 -21.0669 -21.0669 4.2430 4.2430 4.2648 4.2648 4.2742 4.2742 4.3352 4.3352 4.6899 4.6899 4.6936 4.6936 4.9531 4.9531 5.0442 5.0442 5.0860 5.0860 5.0906 5.0906 5.2042 5.2042 5.2071 5.2071 5.4548 5.4548 5.5511 5.5511 5.5629 5.5629 8.5731 8.5731 9.3384 9.3384 9.3667 9.3667 9.9056 9.9056 10.4495 10.4495 10.4615 10.4615 10.5922 10.5922 13.6581 13.6581 13.6589 13.6589 15.6106 15.6106 k = 0.4643 0.4643 0.4643 ( 4917 PWs) bands (ev): -45.0164 -45.0164 -21.7203 -21.7203 -21.0670 -21.0670 -21.0670 -21.0670 4.2406 4.2406 4.2614 4.2614 4.2687 4.2687 4.3318 4.3318 4.6900 4.6900 4.6926 4.6926 4.9523 4.9523 5.0461 5.0461 5.0867 5.0867 5.0903 5.0903 5.2053 5.2053 5.2073 5.2073 5.4592 5.4592 5.5567 5.5567 5.5648 5.5648 8.7127 8.7127 9.3497 9.3497 9.3782 9.3782 9.8696 9.8696 10.4242 10.4242 10.4359 10.4359 10.5105 10.5105 13.6502 13.6502 13.6508 13.6508 15.6058 15.6058 k = 0.4714 0.4714 0.4714 ( 4908 PWs) bands (ev): -45.0164 -45.0164 -21.7203 -21.7203 -21.0671 -21.0671 -21.0670 -21.0670 4.2382 4.2382 4.2591 4.2591 4.2641 4.2641 4.3291 4.3291 4.6900 4.6900 4.6917 4.6917 4.9517 4.9517 5.0473 5.0473 5.0875 5.0875 5.0900 5.0900 5.2063 5.2063 5.2076 5.2076 5.4626 5.4626 5.5614 5.5614 5.5665 5.5665 8.8515 8.8515 9.3595 9.3595 9.3883 9.3883 9.8098 9.8098 10.4028 10.4028 10.4133 10.4133 10.4513 10.4513 13.6437 13.6437 13.6441 13.6441 15.6020 15.6020 k = 0.4786 0.4786 0.4786 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7204 -21.7204 -21.0671 -21.0671 -21.0671 -21.0671 4.2361 4.2361 4.2575 4.2575 4.2605 4.2605 4.3270 4.3270 4.6901 4.6901 4.6910 4.6910 4.9512 4.9512 5.0481 5.0481 5.0883 5.0883 5.0898 5.0898 5.2070 5.2070 5.2077 5.2077 5.4653 5.4653 5.5651 5.5651 5.5679 5.5679 8.9889 8.9889 9.3676 9.3676 9.3966 9.3966 9.7271 9.7271 10.3857 10.3857 10.3929 10.3929 10.4149 10.4149 13.6386 13.6386 13.6388 13.6388 15.5991 15.5991 k = 0.4857 0.4857 0.4857 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7204 -21.7204 -21.0671 -21.0671 -21.0671 -21.0671 4.2344 4.2344 4.2566 4.2566 4.2579 4.2579 4.3254 4.3254 4.6901 4.6901 4.6905 4.6905 4.9509 4.9509 5.0486 5.0486 5.0889 5.0889 5.0896 5.0896 5.2075 5.2075 5.2079 5.2079 5.4671 5.4671 5.5677 5.5677 5.5689 5.5689 9.1243 9.1243 9.3736 9.3736 9.4027 9.4027 9.6261 9.6261 10.3732 10.3732 10.3762 10.3762 10.3959 10.3959 13.6350 13.6350 13.6351 13.6351 15.5971 15.5972 k = 0.4929 0.4929 0.4929 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7204 -21.7204 -21.0671 -21.0671 -21.0671 -21.0671 4.2334 4.2334 4.2560 4.2560 4.2564 4.2564 4.3245 4.3245 4.6901 4.6901 4.6902 4.6902 4.9507 4.9507 5.0489 5.0489 5.0893 5.0893 5.0895 5.0895 5.2079 5.2079 5.2079 5.2079 5.4682 5.4682 5.5693 5.5693 5.5696 5.5696 9.2564 9.2564 9.3773 9.3773 9.4065 9.4065 9.5124 9.5124 10.3656 10.3656 10.3662 10.3662 10.3866 10.3866 13.6328 13.6328 13.6328 13.6328 15.5963 15.5969 k = 0.5000 0.5000 0.5000 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7204 -21.7204 -21.0671 -21.0671 -21.0671 -21.0671 4.2330 4.2330 4.2558 4.2558 4.2558 4.2558 4.3242 4.3242 4.6901 4.6901 4.6901 4.6901 4.9506 4.9506 5.0490 5.0490 5.0895 5.0895 5.0895 5.0895 5.2080 5.2080 5.2080 5.2080 5.4686 5.4686 5.5698 5.5698 5.5698 5.5698 9.3637 9.3637 9.3817 9.3817 9.4078 9.4078 9.4078 9.4078 10.3630 10.3630 10.3630 10.3630 10.3837 10.3837 13.6320 13.6320 13.6320 13.6320 15.5955 15.5955 k = 0.5000 0.5000 0.5000 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7204 -21.7204 -21.0671 -21.0671 -21.0671 -21.0671 4.2330 4.2330 4.2558 4.2558 4.2558 4.2558 4.3242 4.3242 4.6901 4.6901 4.6901 4.6901 4.9506 4.9506 5.0490 5.0490 5.0895 5.0895 5.0895 5.0895 5.2080 5.2080 5.2080 5.2080 5.4686 5.4686 5.5698 5.5698 5.5698 5.5698 9.3637 9.3637 9.3817 9.3817 9.4078 9.4078 9.4078 9.4078 10.3630 10.3630 10.3630 10.3630 10.3837 10.3837 13.6320 13.6320 13.6320 13.6320 15.5955 15.5955 k = 0.4912 0.5000 0.4912 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7204 -21.7204 -21.0671 -21.0671 -21.0671 -21.0671 4.2334 4.2334 4.2560 4.2560 4.2563 4.2563 4.3245 4.3245 4.6901 4.6901 4.6902 4.6902 4.9507 4.9507 5.0489 5.0489 5.0893 5.0893 5.0895 5.0895 5.2078 5.2078 5.2080 5.2080 5.4682 5.4682 5.5693 5.5693 5.5696 5.5696 9.2569 9.2569 9.3761 9.3761 9.4058 9.4058 9.5139 9.5139 10.3642 10.3642 10.3673 10.3673 10.3869 10.3869 13.6323 13.6323 13.6333 13.6333 15.5960 15.5968 k = 0.4825 0.5000 0.4825 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7204 -21.7204 -21.0671 -21.0671 -21.0671 -21.0671 4.2345 4.2345 4.2566 4.2566 4.2578 4.2578 4.3254 4.3254 4.6901 4.6901 4.6905 4.6905 4.9509 4.9509 5.0486 5.0486 5.0889 5.0889 5.0896 5.0896 5.2075 5.2075 5.2079 5.2079 5.4671 5.4671 5.5678 5.5678 5.5689 5.5689 9.1270 9.1270 9.3653 9.3653 9.4029 9.4029 9.6318 9.6318 10.3675 10.3675 10.3768 10.3768 10.4007 10.4007 13.6329 13.6329 13.6371 13.6371 15.5967 15.5967 k = 0.4737 0.5000 0.4737 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7204 -21.7204 -21.0671 -21.0671 -21.0670 -21.0670 4.2362 4.2362 4.2577 4.2577 4.2604 4.2604 4.3270 4.3270 4.6901 4.6901 4.6910 4.6910 4.9512 4.9512 5.0482 5.0482 5.0883 5.0883 5.0897 5.0897 5.2068 5.2068 5.2079 5.2079 5.4653 5.4653 5.5652 5.5652 5.5677 5.5677 8.9955 8.9955 9.3426 9.3426 9.4034 9.4034 9.7416 9.7416 10.3724 10.3724 10.3863 10.3863 10.4320 10.4320 13.6339 13.6339 13.6435 13.6435 15.5970 15.5970 k = 0.4649 0.5000 0.4649 ( 4906 PWs) bands (ev): -45.0164 -45.0164 -21.7203 -21.7203 -21.0671 -21.0671 -21.0670 -21.0670 4.2385 4.2385 4.2591 4.2591 4.2639 4.2639 4.3291 4.3291 4.6901 4.6901 4.6917 4.6917 4.9517 4.9517 5.0474 5.0474 5.0874 5.0874 5.0899 5.0899 5.2060 5.2060 5.2079 5.2079 5.4627 5.4627 5.5616 5.5616 5.5661 5.5661 8.8635 8.8635 9.3085 9.3085 9.4070 9.4070 9.8397 9.8397 10.3785 10.3785 10.3974 10.3974 10.4819 10.4819 13.6351 13.6351 13.6525 13.6525 15.5964 15.5964 k = 0.4561 0.5000 0.4561 ( 4914 PWs) bands (ev): -45.0164 -45.0164 -21.7203 -21.7203 -21.0671 -21.0671 -21.0669 -21.0669 4.2412 4.2412 4.2611 4.2611 4.2686 4.2686 4.3319 4.3319 4.6901 4.6901 4.6926 4.6926 4.9523 4.9523 5.0463 5.0463 5.0865 5.0865 5.0903 5.0903 5.2048 5.2048 5.2078 5.2078 5.4592 5.4592 5.5571 5.5571 5.5642 5.5642 8.7318 8.7318 9.2646 9.2646 9.4130 9.4130 9.9238 9.9238 10.3856 10.3856 10.4111 10.4111 10.5509 10.5509 13.6364 13.6364 13.6639 13.6639 15.5947 15.5947 k = 0.4474 0.5000 0.4474 ( 4912 PWs) bands (ev): -45.0164 -45.0164 -21.7202 -21.7202 -21.0671 -21.0671 -21.0668 -21.0668 4.2442 4.2442 4.2637 4.2637 4.2743 4.2743 4.3352 4.3352 4.6900 4.6900 4.6936 4.6936 4.9531 4.9531 5.0447 5.0447 5.0854 5.0854 5.0907 5.0907 5.2035 5.2035 5.2078 5.2078 5.4549 5.4549 5.5517 5.5517 5.5619 5.5619 8.6009 8.6009 9.2121 9.2121 9.4207 9.4207 9.9935 9.9935 10.3939 10.3939 10.4276 10.4276 10.6383 10.6383 13.6376 13.6376 13.6779 13.6779 15.5922 15.5922 k = 0.4386 0.5000 0.4386 ( 4908 PWs) bands (ev): -45.0164 -45.0164 -21.7202 -21.7202 -21.0671 -21.0671 -21.0666 -21.0666 4.2474 4.2474 4.2670 4.2670 4.2812 4.2812 4.3392 4.3392 4.6900 4.6900 4.6947 4.6947 4.9541 4.9541 5.0426 5.0426 5.0844 5.0844 5.0913 5.0913 5.2019 5.2019 5.2077 5.2077 5.4497 5.4497 5.5453 5.5453 5.5594 5.5594 8.4711 8.4711 9.1519 9.1519 9.4301 9.4301 10.0509 10.0509 10.4033 10.4033 10.4468 10.4468 10.7414 10.7414 13.6387 13.6387 13.6943 13.6943 15.5889 15.5889 k = 0.4298 0.5000 0.4298 ( 4908 PWs) bands (ev): -45.0164 -45.0164 -21.7201 -21.7201 -21.0671 -21.0671 -21.0665 -21.0665 4.2507 4.2507 4.2710 4.2710 4.2892 4.2892 4.3437 4.3437 4.6899 4.6899 4.6960 4.6960 4.9552 4.9552 5.0399 5.0399 5.0834 5.0834 5.0921 5.0921 5.2001 5.2001 5.2077 5.2077 5.4435 5.4435 5.5382 5.5382 5.5567 5.5567 8.3429 8.3429 9.0849 9.0849 9.4412 9.4412 10.0991 10.0991 10.4140 10.4140 10.4687 10.4687 10.8565 10.8565 13.6394 13.6394 13.7133 13.7133 15.5849 15.5849 k = 0.4211 0.5000 0.4211 ( 4912 PWs) bands (ev): -45.0165 -45.0165 -21.7200 -21.7200 -21.0671 -21.0671 -21.0663 -21.0663 4.2539 4.2539 4.2758 4.2758 4.2982 4.2982 4.3487 4.3487 4.6899 4.6899 4.6973 4.6973 4.9566 4.9566 5.0365 5.0365 5.0824 5.0824 5.0931 5.0931 5.1980 5.1980 5.2076 5.2076 5.4363 5.4363 5.5302 5.5302 5.5539 5.5539 8.2163 8.2163 9.0118 9.0118 9.4538 9.4538 10.1410 10.1410 10.4259 10.4259 10.4932 10.4932 10.9802 10.9802 13.6397 13.6397 13.7347 13.7347 15.5802 15.5802 k = 0.4123 0.5000 0.4123 ( 4916 PWs) bands (ev): -45.0165 -45.0165 -21.7199 -21.7199 -21.0671 -21.0671 -21.0661 -21.0661 4.2570 4.2570 4.2814 4.2814 4.3081 4.3081 4.3543 4.3543 4.6898 4.6898 4.6986 4.6986 4.9582 4.9582 5.0325 5.0325 5.0815 5.0815 5.0943 5.0943 5.1958 5.1958 5.2076 5.2076 5.4280 5.4280 5.5215 5.5215 5.5510 5.5510 8.0917 8.0917 8.9335 8.9335 9.4681 9.4681 10.1792 10.1792 10.4390 10.4390 10.5202 10.5202 11.1097 11.1097 13.6395 13.6395 13.7585 13.7585 15.5750 15.5750 k = 0.4035 0.5000 0.4035 ( 4922 PWs) bands (ev): -45.0165 -45.0165 -21.7198 -21.7198 -21.0671 -21.0671 -21.0659 -21.0659 4.2602 4.2602 4.2877 4.2877 4.3191 4.3191 4.3604 4.3604 4.6896 4.6896 4.7000 4.7000 4.9601 4.9601 5.0278 5.0278 5.0804 5.0804 5.0958 5.0958 5.1934 5.1934 5.2075 5.2075 5.4187 5.4187 5.5122 5.5122 5.5481 5.5481 7.9692 7.9692 8.8506 8.8506 9.4839 9.4839 10.2151 10.2151 10.4533 10.4533 10.5497 10.5497 11.2428 11.2428 13.6386 13.6386 13.7846 13.7846 15.5692 15.5692 k = 0.3947 0.5000 0.3947 ( 4926 PWs) bands (ev): -45.0165 -45.0165 -21.7197 -21.7197 -21.0670 -21.0670 -21.0657 -21.0657 4.2633 4.2633 4.2947 4.2947 4.3309 4.3309 4.3670 4.3670 4.6895 4.6895 4.7012 4.7012 4.9622 4.9622 5.0227 5.0227 5.0793 5.0793 5.0976 5.0976 5.1908 5.1908 5.2075 5.2075 5.4083 5.4083 5.5023 5.5023 5.5452 5.5452 7.8490 7.8490 8.7639 8.7639 9.5014 9.5014 10.2500 10.2500 10.4687 10.4687 10.5818 10.5818 11.3780 11.3780 13.6372 13.6372 13.8132 13.8132 15.5629 15.5629 k = 0.3860 0.5000 0.3860 ( 4924 PWs) bands (ev): -45.0165 -45.0165 -21.7196 -21.7196 -21.0670 -21.0670 -21.0654 -21.0654 4.2664 4.2664 4.3023 4.3023 4.3434 4.3434 4.3740 4.3740 4.6893 4.6893 4.7024 4.7024 4.9647 4.9647 5.0170 5.0170 5.0781 5.0781 5.0996 5.0996 5.1881 5.1881 5.2075 5.2075 5.3969 5.3969 5.4919 5.4919 5.5423 5.5423 7.7313 7.7313 8.6740 8.6740 9.5205 9.5205 10.2846 10.2846 10.4854 10.4854 10.6164 10.6164 11.5142 11.5142 13.6351 13.6351 13.8440 13.8440 15.5560 15.5560 k = 0.3772 0.5000 0.3772 ( 4932 PWs) bands (ev): -45.0166 -45.0166 -21.7195 -21.7195 -21.0670 -21.0670 -21.0652 -21.0652 4.2696 4.2696 4.3105 4.3105 4.3567 4.3567 4.3815 4.3815 4.6891 4.6891 4.7034 4.7034 4.9675 4.9675 5.0109 5.0109 5.0767 5.0767 5.1018 5.1018 5.1853 5.1853 5.2074 5.2074 5.3844 5.3844 5.4811 5.4811 5.5395 5.5395 7.6161 7.6161 8.5815 8.5815 9.5412 9.5412 10.3191 10.3191 10.5031 10.5031 10.6536 10.6536 11.6507 11.6507 13.6324 13.6324 13.8771 13.8771 15.5486 15.5486 k = 0.3684 0.5000 0.3684 ( 4928 PWs) bands (ev): -45.0166 -45.0166 -21.7193 -21.7193 -21.0670 -21.0670 -21.0649 -21.0649 4.2728 4.2728 4.3193 4.3193 4.3705 4.3705 4.3895 4.3895 4.6888 4.6888 4.7041 4.7041 4.9706 4.9706 5.0045 5.0045 5.0751 5.0751 5.1041 5.1041 5.1823 5.1823 5.2074 5.2074 5.3709 5.3709 5.4699 5.4699 5.5367 5.5367 7.5036 7.5036 8.4868 8.4868 9.5637 9.5637 10.3540 10.3540 10.5219 10.5219 10.6934 10.6934 11.7867 11.7867 13.6291 13.6291 13.9125 13.9125 15.5407 15.5407 k = 0.3596 0.5000 0.3596 ( 4920 PWs) bands (ev): -45.0166 -45.0166 -21.7192 -21.7192 -21.0670 -21.0670 -21.0646 -21.0646 4.2761 4.2761 4.3286 4.3286 4.3848 4.3848 4.3980 4.3980 4.6885 4.6885 4.7046 4.7046 4.9741 4.9741 4.9978 4.9978 5.0732 5.0732 5.1065 5.1065 5.1793 5.1793 5.2075 5.2075 5.3564 5.3564 5.4584 5.4584 5.5340 5.5340 7.3940 7.3940 8.3906 8.3906 9.5878 9.5878 10.3893 10.3893 10.5418 10.5418 10.7358 10.7358 11.9219 11.9219 13.6251 13.6251 13.9499 13.9499 15.5324 15.5324 k = 0.3509 0.5000 0.3509 ( 4916 PWs) bands (ev): -45.0167 -45.0167 -21.7190 -21.7190 -21.0669 -21.0669 -21.0643 -21.0643 4.2794 4.2794 4.3383 4.3383 4.3991 4.3991 4.4072 4.4072 4.6881 4.6881 4.7048 4.7048 4.9780 4.9780 4.9910 4.9910 5.0711 5.0711 5.1088 5.1088 5.1763 5.1763 5.2075 5.2075 5.3411 5.3411 5.4468 5.4468 5.5314 5.5314 7.2873 7.2873 8.2932 8.2932 9.6136 9.6136 10.4251 10.4251 10.5627 10.5627 10.7808 10.7808 12.0557 12.0557 13.6206 13.6206 13.9895 13.9895 15.5236 15.5236 k = 0.3421 0.5000 0.3421 ( 4920 PWs) bands (ev): -45.0167 -45.0167 -21.7189 -21.7189 -21.0669 -21.0669 -21.0640 -21.0640 4.2827 4.2827 4.3485 4.3485 4.4122 4.4122 4.4182 4.4182 4.6875 4.6875 4.7046 4.7046 4.9821 4.9821 4.9841 4.9841 5.0686 5.0686 5.1110 5.1110 5.1732 5.1732 5.2075 5.2075 5.3250 5.3250 5.4350 5.4350 5.5288 5.5288 7.1837 7.1837 8.1951 8.1951 9.6411 9.6411 10.4614 10.4614 10.5844 10.5844 10.8285 10.8285 12.1880 12.1880 13.6156 13.6156 14.0312 14.0312 15.5145 15.5145 k = 0.3333 0.5000 0.3333 ( 4940 PWs) bands (ev): -45.0167 -45.0167 -21.7187 -21.7187 -21.0669 -21.0669 -21.0636 -21.0636 4.2861 4.2861 4.3590 4.3590 4.4228 4.4228 4.4323 4.4323 4.6869 4.6869 4.7039 4.7039 4.9771 4.9771 4.9867 4.9867 5.0658 5.0658 5.1130 5.1130 5.1702 5.1702 5.2076 5.2076 5.3084 5.3084 5.4232 5.4232 5.5262 5.5262 7.0833 7.0833 8.0967 8.0967 9.6705 9.6705 10.4981 10.4981 10.6071 10.6071 10.8789 10.8789 12.3185 12.3185 13.6100 13.6100 14.0748 14.0748 15.5050 15.5050 k = 0.3246 0.5000 0.3246 ( 4940 PWs) bands (ev): -45.0167 -45.0167 -21.7186 -21.7186 -21.0669 -21.0669 -21.0633 -21.0633 4.2894 4.2894 4.3699 4.3699 4.4327 4.4327 4.4476 4.4476 4.6860 4.6860 4.7029 4.7029 4.9702 4.9702 4.9914 4.9914 5.0626 5.0626 5.1146 5.1146 5.1672 5.1672 5.2077 5.2077 5.2914 5.2914 5.4114 5.4114 5.5238 5.5238 6.9862 6.9862 7.9982 7.9982 9.7016 9.7016 10.5351 10.5351 10.6307 10.6307 10.9319 10.9319 12.4470 12.4470 13.6040 13.6040 14.1203 14.1203 15.4953 15.4953 k = 0.3158 0.5000 0.3158 ( 4944 PWs) bands (ev): -45.0168 -45.0168 -21.7184 -21.7184 -21.0668 -21.0668 -21.0629 -21.0629 4.2928 4.2928 4.3811 4.3811 4.4425 4.4425 4.4632 4.4632 4.6849 4.6849 4.7015 4.7015 4.9633 4.9633 4.9962 4.9962 5.0590 5.0590 5.1157 5.1157 5.1642 5.1642 5.2078 5.2078 5.2745 5.2745 5.3998 5.3998 5.5213 5.5213 6.8924 6.8924 7.9000 7.9000 9.7345 9.7345 10.5725 10.5725 10.6550 10.6550 10.9876 10.9876 12.5735 12.5735 13.5976 13.5976 14.1677 14.1677 15.4855 15.4855 k = 0.3070 0.5000 0.3070 ( 4948 PWs) bands (ev): -45.0168 -45.0168 -21.7182 -21.7182 -21.0668 -21.0668 -21.0625 -21.0625 4.2960 4.2960 4.3926 4.3926 4.4525 4.4525 4.4789 4.4789 4.6833 4.6833 4.6999 4.6999 4.9566 4.9566 5.0011 5.0011 5.0549 5.0549 5.1160 5.1160 5.1613 5.1613 5.2079 5.2079 5.2582 5.2582 5.3884 5.3884 5.5190 5.5190 6.8021 6.8021 7.8024 7.8024 9.7692 9.7692 10.6100 10.6100 10.6801 10.6801 11.0460 11.0460 12.6979 12.6979 13.5907 13.5907 14.2169 14.2169 15.4756 15.4756 k = 0.2982 0.5000 0.2982 ( 4944 PWs) bands (ev): -45.0169 -45.0169 -21.7180 -21.7180 -21.0668 -21.0668 -21.0622 -21.0622 4.2993 4.2993 4.4042 4.4042 4.4625 4.4625 4.4945 4.4945 4.6812 4.6812 4.6981 4.6981 4.9500 4.9500 5.0056 5.0056 5.0503 5.0503 5.1154 5.1154 5.1583 5.1583 5.2076 5.2076 5.2435 5.2435 5.3772 5.3772 5.5167 5.5167 6.7153 6.7153 7.7056 7.7056 9.8057 9.8057 10.6475 10.6475 10.7059 10.7059 11.1070 11.1070 12.8203 12.8203 13.5836 13.5836 14.2677 14.2677 15.4657 15.4657 k = 0.2895 0.5000 0.2895 ( 4954 PWs) bands (ev): -45.0169 -45.0169 -21.7178 -21.7178 -21.0667 -21.0667 -21.0618 -21.0618 4.3024 4.3024 4.4160 4.4160 4.4727 4.4727 4.5099 4.5099 4.6785 4.6785 4.6963 4.6963 4.9436 4.9436 5.0096 5.0096 5.0451 5.0451 5.1134 5.1134 5.1552 5.1552 5.2063 5.2063 5.2317 5.2317 5.3664 5.3664 5.5145 5.5145 6.6322 6.6322 7.6099 7.6099 9.8441 9.8441 10.6850 10.6850 10.7324 10.7324 11.1705 11.1705 12.9407 12.9407 13.5761 13.5761 14.3201 14.3201 15.4559 15.4559 k = 0.2807 0.5000 0.2807 ( 4946 PWs) bands (ev): -45.0169 -45.0169 -21.7176 -21.7176 -21.0667 -21.0667 -21.0614 -21.0614 4.3054 4.3054 4.4278 4.4278 4.4829 4.4829 4.5251 4.5251 4.6749 4.6749 4.6947 4.6947 4.9371 4.9371 5.0124 5.0124 5.0394 5.0394 5.1096 5.1096 5.1521 5.1521 5.2030 5.2030 5.2249 5.2249 5.3561 5.3561 5.5124 5.5124 6.5527 6.5527 7.5155 7.5155 9.8843 9.8843 10.7222 10.7222 10.7595 10.7595 11.2366 11.2366 13.0592 13.0592 13.5685 13.5685 14.3740 14.3740 15.4461 15.4461 k = 0.2719 0.5000 0.2719 ( 4952 PWs) bands (ev): -45.0170 -45.0170 -21.7174 -21.7174 -21.0666 -21.0666 -21.0610 -21.0610 4.3082 4.3082 4.4396 4.4396 4.4932 4.4932 4.5399 4.5399 4.6705 4.6705 4.6933 4.6933 4.9306 4.9306 5.0131 5.0131 5.0335 5.0335 5.1038 5.1038 5.1496 5.1496 5.1983 5.1983 5.2228 5.2228 5.3464 5.3464 5.5104 5.5104 6.4769 6.4769 7.4225 7.4225 9.9263 9.9263 10.7589 10.7589 10.7872 10.7872 11.3052 11.3052 13.1760 13.1760 13.5606 13.5606 14.4293 14.4293 15.4365 15.4365 k = 0.2632 0.5000 0.2632 ( 4954 PWs) bands (ev): -45.0170 -45.0170 -21.7172 -21.7172 -21.0666 -21.0666 -21.0605 -21.0605 4.3109 4.3109 4.4513 4.4513 4.5034 4.5034 4.5543 4.5543 4.6654 4.6654 4.6921 4.6921 4.9239 4.9239 5.0097 5.0097 5.0289 5.0289 5.0963 5.0963 5.1481 5.1481 5.1943 5.1943 5.2233 5.2233 5.3374 5.3374 5.5085 5.5085 6.4049 6.4049 7.3312 7.3312 9.9702 9.9702 10.7950 10.7950 10.8157 10.8157 11.3761 11.3761 13.2911 13.2911 13.5527 13.5527 14.4859 14.4859 15.4268 15.4268 k = 0.2544 0.5000 0.2544 ( 4958 PWs) bands (ev): -45.0170 -45.0170 -21.7170 -21.7170 -21.0666 -21.0666 -21.0601 -21.0601 4.3133 4.3133 4.4628 4.4628 4.5136 4.5136 4.5682 4.5682 4.6598 4.6598 4.6910 4.6910 4.9167 4.9167 5.0014 5.0014 5.0261 5.0261 5.0881 5.0881 5.1478 5.1478 5.1918 5.1918 5.2249 5.2249 5.3293 5.3293 5.5068 5.5068 6.3366 6.3366 7.2416 7.2416 10.0159 10.0159 10.8299 10.8299 10.8452 10.8452 11.4494 11.4494 13.4045 13.4045 13.5452 13.5452 14.5437 14.5437 15.4170 15.4170 k = 0.2456 0.5000 0.2456 ( 4958 PWs) bands (ev): -45.0171 -45.0171 -21.7168 -21.7168 -21.0665 -21.0665 -21.0597 -21.0597 4.3155 4.3155 4.4740 4.4740 4.5237 4.5237 4.5813 4.5813 4.6539 4.6539 4.6900 4.6900 4.9086 4.9086 4.9896 4.9896 5.0238 5.0238 5.0802 5.0802 5.1484 5.1484 5.1907 5.1907 5.2271 5.2271 5.3223 5.3223 5.5052 5.5052 6.2721 6.2721 7.1539 7.1539 10.0633 10.0633 10.8630 10.8630 10.8762 10.8762 11.5247 11.5247 13.5097 13.5097 13.5448 13.5448 14.6026 14.6026 15.4070 15.4070 k = 0.2368 0.5000 0.2368 ( 4958 PWs) bands (ev): -45.0171 -45.0171 -21.7166 -21.7166 -21.0665 -21.0665 -21.0593 -21.0593 4.3173 4.3173 4.4847 4.4847 4.5336 4.5336 4.5936 4.5936 4.6479 4.6479 4.6891 4.6891 4.8990 4.8990 4.9765 4.9765 5.0213 5.0213 5.0730 5.0730 5.1494 5.1494 5.1908 5.1908 5.2295 5.2295 5.3166 5.3166 5.5039 5.5039 6.2112 6.2112 7.0683 7.0683 10.1125 10.1125 10.8942 10.8942 10.9086 10.9086 11.6021 11.6021 13.5242 13.5242 13.6342 13.6342 14.6625 14.6625 15.3969 15.3969 k = 0.2281 0.5000 0.2281 ( 4952 PWs) bands (ev): -45.0172 -45.0172 -21.7164 -21.7164 -21.0664 -21.0664 -21.0588 -21.0588 4.3188 4.3188 4.4947 4.4947 4.5432 4.5432 4.6044 4.6044 4.6424 4.6424 4.6882 4.6882 4.8876 4.8876 4.9634 4.9634 5.0183 5.0183 5.0666 5.0666 5.1504 5.1504 5.1920 5.1920 5.2317 5.2317 5.3127 5.3127 5.5028 5.5028 6.1540 6.1540 6.9849 6.9849 10.1634 10.1634 10.9241 10.9241 10.9416 10.9416 11.6814 11.6814 13.5169 13.5169 13.7449 13.7449 14.7232 14.7232 15.3866 15.3866 k = 0.2193 0.5000 0.2193 ( 4952 PWs) bands (ev): -45.0172 -45.0172 -21.7162 -21.7162 -21.0664 -21.0664 -21.0584 -21.0584 4.3199 4.3199 4.5040 4.5040 4.5524 4.5524 4.6126 4.6126 4.6386 4.6386 4.6874 4.6874 4.8743 4.8743 4.9515 4.9515 5.0151 5.0151 5.0608 5.0608 5.1510 5.1510 5.1938 5.1938 5.2336 5.2336 5.3107 5.3107 5.5021 5.5021 6.1003 6.1003 6.9037 6.9037 10.2160 10.2160 10.9535 10.9535 10.9742 10.9742 11.7622 11.7622 13.5087 13.5087 13.8561 13.8561 14.7846 14.7846 15.3763 15.3763 k = 0.2105 0.5000 0.2105 ( 4952 PWs) bands (ev): -45.0172 -45.0172 -21.7160 -21.7160 -21.0663 -21.0663 -21.0580 -21.0580 4.3204 4.3204 4.5122 4.5122 4.5609 4.5609 4.6159 4.6159 4.6386 4.6386 4.6867 4.6867 4.8596 4.8596 4.9413 4.9413 5.0118 5.0118 5.0554 5.0554 5.1510 5.1510 5.1959 5.1959 5.2353 5.2353 5.3108 5.3108 5.5017 5.5017 6.0501 6.0501 6.8248 6.8248 10.2701 10.2701 10.9826 10.9826 11.0062 11.0062 11.8445 11.8445 13.5004 13.5004 13.9676 13.9676 14.8465 14.8465 15.3661 15.3661 k = 0.2018 0.5000 0.2018 ( 4956 PWs) bands (ev): -45.0173 -45.0173 -21.7158 -21.7158 -21.0663 -21.0663 -21.0576 -21.0576 4.3204 4.3204 4.5191 4.5191 4.5686 4.5686 4.6146 4.6146 4.6420 4.6420 4.6863 4.6863 4.8447 4.8447 4.9326 4.9326 5.0086 5.0086 5.0502 5.0502 5.1505 5.1505 5.1975 5.1975 5.2368 5.2368 5.3130 5.3130 5.5017 5.5017 6.0033 6.0033 6.7483 6.7483 10.3256 10.3256 11.0114 11.0114 11.0373 11.0373 11.9280 11.9280 13.4920 13.4920 14.0794 14.0794 14.9089 14.9089 15.3559 15.3559 k = 0.1930 0.5000 0.1930 ( 4968 PWs) bands (ev): -45.0173 -45.0173 -21.7156 -21.7156 -21.0662 -21.0662 -21.0572 -21.0572 4.3197 4.3197 4.5243 4.5243 4.5751 4.5751 4.6118 4.6118 4.6452 4.6452 4.6864 4.6864 4.8313 4.8313 4.9251 4.9251 5.0057 5.0057 5.0451 5.0451 5.1493 5.1493 5.1984 5.1984 5.2387 5.2387 5.3170 5.3170 5.5023 5.5023 5.9596 5.9596 6.6743 6.6743 10.3826 10.3826 11.0400 11.0400 11.0674 11.0674 12.0124 12.0124 13.4838 13.4838 14.1916 14.1916 14.9715 14.9715 15.3459 15.3459 k = 0.1842 0.5000 0.1842 ( 4960 PWs) bands (ev): -45.0174 -45.0174 -21.7154 -21.7154 -21.0662 -21.0662 -21.0567 -21.0567 4.3183 4.3183 4.5276 4.5276 4.5798 4.5798 4.6096 4.6096 4.6462 4.6462 4.6871 4.6871 4.8208 4.8208 4.9183 4.9183 5.0032 5.0032 5.0403 5.0403 5.1477 5.1477 5.1983 5.1983 5.2410 5.2410 5.3223 5.3223 5.5034 5.5034 5.9190 5.9190 6.6028 6.6028 10.4407 10.4407 11.0682 11.0682 11.0964 11.0964 12.0974 12.0974 13.4756 13.4756 14.3046 14.3046 15.0342 15.0342 15.3361 15.3361 k = 0.1754 0.5000 0.1754 ( 4968 PWs) bands (ev): -45.0174 -45.0174 -21.7152 -21.7152 -21.0661 -21.0661 -21.0563 -21.0563 4.3160 4.3160 4.5286 4.5286 4.5820 4.5820 4.6088 4.6088 4.6451 4.6451 4.6882 4.6882 4.8145 4.8145 4.9121 4.9121 5.0012 5.0012 5.0355 5.0355 5.1457 5.1457 5.1972 5.1972 5.2439 5.2439 5.3285 5.3285 5.5051 5.5051 5.8813 5.8813 6.5339 6.5339 10.4999 10.4999 11.0959 11.0959 11.1242 11.1242 12.1827 12.1827 13.4676 13.4676 14.4184 14.4184 15.0968 15.0968 15.3266 15.3266 k = 0.1667 0.5000 0.1667 ( 4968 PWs) bands (ev): -45.0174 -45.0174 -21.7150 -21.7150 -21.0661 -21.0661 -21.0559 -21.0559 4.3127 4.3127 4.5275 4.5275 4.5810 4.5810 4.6095 4.6095 4.6431 4.6431 4.6890 4.6890 4.8128 4.8128 4.9062 4.9062 4.9997 4.9997 5.0309 5.0309 5.1432 5.1432 5.1955 5.1955 5.2472 5.2472 5.3352 5.3352 5.5075 5.5075 5.8464 5.8464 6.4675 6.4675 10.5599 10.5599 11.1231 11.1231 11.1508 11.1508 12.2678 12.2678 13.4598 13.4598 14.5333 14.5333 15.1590 15.1590 15.3173 15.3173 k = 0.1579 0.5000 0.1579 ( 4968 PWs) bands (ev): -45.0175 -45.0175 -21.7148 -21.7148 -21.0660 -21.0660 -21.0556 -21.0556 4.3084 4.3084 4.5246 4.5246 4.5761 4.5761 4.6112 4.6112 4.6419 4.6419 4.6894 4.6894 4.8152 4.8152 4.9008 4.9008 4.9986 4.9986 5.0266 5.0266 5.1403 5.1403 5.1935 5.1935 5.2506 5.2506 5.3421 5.3421 5.5107 5.5107 5.8142 5.8142 6.4038 6.4038 10.6206 10.6206 11.1497 11.1497 11.1761 11.1761 12.3524 12.3524 13.4522 13.4522 14.6494 14.6494 15.2206 15.2206 15.3083 15.3083 k = 0.1491 0.5000 0.1491 ( 4956 PWs) bands (ev): -45.0175 -45.0175 -21.7146 -21.7146 -21.0660 -21.0660 -21.0552 -21.0552 4.3028 4.3028 4.5203 4.5203 4.5678 4.5678 4.6136 4.6136 4.6421 4.6421 4.6893 4.6893 4.8209 4.8209 4.8958 4.8958 4.9979 4.9979 5.0225 5.0225 5.1371 5.1371 5.1915 5.1915 5.2542 5.2542 5.3488 5.3488 5.5146 5.5146 5.7845 5.7845 6.3427 6.3427 10.6818 10.6818 11.1756 11.1756 11.2002 11.2002 12.4360 12.4360 13.4448 13.4448 14.7668 14.7668 15.2813 15.2813 15.2998 15.2998 k = 0.1404 0.5000 0.1404 ( 4960 PWs) bands (ev): -45.0175 -45.0175 -21.7144 -21.7144 -21.0659 -21.0659 -21.0548 -21.0548 4.2960 4.2960 4.5152 4.5152 4.5573 4.5573 4.6165 4.6165 4.6437 4.6437 4.6887 4.6887 4.8286 4.8286 4.8915 4.8915 4.9975 4.9975 5.0187 5.0187 5.1336 5.1336 5.1898 5.1898 5.2576 5.2576 5.3551 5.3551 5.5192 5.5192 5.7571 5.7571 6.2843 6.2843 10.7430 10.7430 11.2006 11.2006 11.2230 11.2230 12.5182 12.5182 13.4378 13.4378 14.8857 14.8857 15.2914 15.2914 15.3410 15.3410 k = 0.1316 0.5000 0.1316 ( 4972 PWs) bands (ev): -45.0176 -45.0176 -21.7142 -21.7142 -21.0659 -21.0659 -21.0545 -21.0545 4.2879 4.2879 4.5097 4.5097 4.5458 4.5458 4.6195 4.6195 4.6459 4.6459 4.6878 4.6878 4.8372 4.8372 4.8883 4.8883 4.9972 4.9972 5.0154 5.0154 5.1298 5.1298 5.1883 5.1883 5.2608 5.2608 5.3610 5.3610 5.5244 5.5244 5.7321 5.7321 6.2285 6.2285 10.8041 10.8041 11.2247 11.2247 11.2446 11.2446 12.5984 12.5984 13.4310 13.4310 15.0061 15.0061 15.2836 15.2836 15.3987 15.3987 k = 0.1228 0.5000 0.1228 ( 4968 PWs) bands (ev): -45.0176 -45.0176 -21.7141 -21.7141 -21.0659 -21.0659 -21.0541 -21.0541 4.2786 4.2786 4.5040 4.5040 4.5344 4.5344 4.6225 4.6225 4.6485 4.6485 4.6866 4.6866 4.8452 4.8452 4.8872 4.8872 4.9971 4.9971 5.0128 5.0128 5.1259 5.1259 5.1873 5.1873 5.2638 5.2638 5.3664 5.3664 5.5303 5.5303 5.7091 5.7091 6.1755 6.1755 10.8647 10.8647 11.2476 11.2476 11.2649 11.2649 12.6762 12.6762 13.4245 13.4245 15.1281 15.1281 15.2763 15.2763 15.4539 15.4539 k = 0.1140 0.5000 0.1140 ( 4964 PWs) bands (ev): -45.0176 -45.0176 -21.7139 -21.7139 -21.0658 -21.0658 -21.0538 -21.0538 4.2683 4.2683 4.4984 4.4984 4.5237 4.5237 4.6254 4.6254 4.6512 4.6512 4.6851 4.6851 4.8508 4.8508 4.8895 4.8895 4.9968 4.9968 5.0108 5.0108 5.1218 5.1218 5.1868 5.1868 5.2666 5.2666 5.3713 5.3713 5.5365 5.5365 5.6883 5.6883 6.1251 6.1251 10.9243 10.9243 11.2693 11.2693 11.2841 11.2841 12.7510 12.7510 13.4184 13.4184 15.2509 15.2509 15.2703 15.2703 15.5052 15.5052 k = 0.1053 0.5000 0.1053 ( 4960 PWs) bands (ev): -45.0176 -45.0176 -21.7138 -21.7138 -21.0658 -21.0658 -21.0535 -21.0535 4.2572 4.2572 4.4931 4.4931 4.5139 4.5139 4.6279 4.6279 4.6537 4.6537 4.6834 4.6834 4.8529 4.8529 4.8958 4.8958 4.9963 4.9963 5.0098 5.0098 5.1175 5.1175 5.1867 5.1867 5.2690 5.2690 5.3758 5.3758 5.5429 5.5429 5.6694 5.6694 6.0775 6.0775 10.9826 10.9826 11.2894 11.2894 11.3023 11.3023 12.8224 12.8224 13.4127 13.4127 15.2628 15.2628 15.3772 15.3772 15.5516 15.5516 k = 0.0965 0.5000 0.0965 ( 4974 PWs) bands (ev): -45.0177 -45.0177 -21.7136 -21.7136 -21.0657 -21.0657 -21.0533 -21.0533 4.2456 4.2456 4.4882 4.4882 4.5052 4.5052 4.6302 4.6302 4.6561 4.6561 4.6816 4.6816 4.8526 4.8526 4.9047 4.9047 4.9957 4.9957 5.0097 5.0097 5.1132 5.1132 5.1871 5.1871 5.2711 5.2711 5.3798 5.3798 5.5494 5.5494 5.6524 5.6524 6.0327 6.0327 11.0391 11.0391 11.3077 11.3077 11.3196 11.3196 12.8898 12.8898 13.4073 13.4073 15.2570 15.2570 15.5028 15.5028 15.5944 15.5944 k = 0.0877 0.5000 0.0877 ( 4968 PWs) bands (ev): -45.0177 -45.0177 -21.7135 -21.7135 -21.0657 -21.0657 -21.0530 -21.0530 4.2338 4.2338 4.4839 4.4839 4.4974 4.4974 4.6321 4.6321 4.6583 4.6583 4.6796 4.6796 4.8511 4.8511 4.9146 4.9146 4.9952 4.9952 5.0103 5.0103 5.1089 5.1089 5.1879 5.1879 5.2729 5.2729 5.3836 5.3836 5.5558 5.5558 5.6373 5.6373 5.9908 5.9908 11.0934 11.0934 11.3241 11.3241 11.3362 11.3362 12.9528 12.9528 13.4024 13.4024 15.2517 15.2517 15.6131 15.6131 15.6516 15.6516 k = 0.0789 0.5000 0.0789 ( 4972 PWs) bands (ev): -45.0177 -45.0177 -21.7134 -21.7134 -21.0657 -21.0657 -21.0528 -21.0528 4.2221 4.2221 4.4801 4.4801 4.4907 4.4907 4.6338 4.6338 4.6602 4.6602 4.6776 4.6776 4.8492 4.8492 4.9244 4.9244 4.9949 4.9949 5.0118 5.0118 5.1045 5.1045 5.1891 5.1891 5.2745 5.2745 5.3871 5.3871 5.5619 5.5619 5.6241 5.6241 5.9518 5.9518 11.1447 11.1447 11.3384 11.3384 11.3520 11.3520 13.0108 13.0108 13.3979 13.3979 15.2470 15.2470 15.6622 15.6622 15.7402 15.7402 k = 0.0702 0.5000 0.0702 ( 4964 PWs) bands (ev): -45.0177 -45.0177 -21.7133 -21.7133 -21.0656 -21.0656 -21.0525 -21.0525 4.2108 4.2108 4.4768 4.4768 4.4848 4.4848 4.6353 4.6353 4.6618 4.6618 4.6755 4.6755 4.8474 4.8474 4.9333 4.9333 4.9950 4.9950 5.0140 5.0140 5.1001 5.1001 5.1907 5.1907 5.2757 5.2757 5.3905 5.3905 5.5674 5.5674 5.6128 5.6128 5.9158 5.9158 11.1926 11.1926 11.3511 11.3511 11.3667 11.3667 13.0636 13.0636 13.3938 13.3938 15.2428 15.2428 15.7002 15.7002 15.7841 15.7841 k = 0.0614 0.5000 0.0614 ( 4972 PWs) bands (ev): -45.0177 -45.0177 -21.7132 -21.7132 -21.0656 -21.0656 -21.0524 -21.0524 4.2003 4.2003 4.4739 4.4739 4.4798 4.4798 4.6365 4.6365 4.6630 4.6630 4.6735 4.6735 4.8457 4.8457 4.9408 4.9408 4.9954 4.9954 5.0171 5.0171 5.0957 5.0957 5.1924 5.1924 5.2767 5.2767 5.3937 5.3937 5.5718 5.5718 5.6037 5.6037 5.8831 5.8831 11.2366 11.2366 11.3621 11.3621 11.3800 11.3800 13.1108 13.1108 13.3902 13.3902 15.2391 15.2391 15.7361 15.7361 15.8249 15.8249 k = 0.0526 0.5000 0.0526 ( 4974 PWs) bands (ev): -45.0178 -45.0178 -21.7131 -21.7131 -21.0656 -21.0656 -21.0522 -21.0522 4.1907 4.1907 4.4714 4.4714 4.4757 4.4757 4.6376 4.6376 4.6640 4.6640 4.6717 4.6717 4.8442 4.8442 4.9467 4.9467 4.9961 4.9961 5.0213 5.0213 5.0912 5.0912 5.1944 5.1944 5.2775 5.2775 5.3967 5.3967 5.5745 5.5745 5.5973 5.5973 5.8538 5.8538 11.2758 11.2758 11.3718 11.3718 11.3918 11.3918 13.1522 13.1522 13.3870 13.3870 15.2360 15.2360 15.7698 15.7698 15.8624 15.8624 k = 0.0439 0.5000 0.0439 ( 4966 PWs) bands (ev): -45.0178 -45.0178 -21.7130 -21.7130 -21.0656 -21.0656 -21.0520 -21.0520 4.1823 4.1823 4.4691 4.4691 4.4726 4.4726 4.6384 4.6384 4.6647 4.6647 4.6701 4.6701 4.8429 4.8429 4.9510 4.9510 4.9969 4.9969 5.0263 5.0263 5.0866 5.0866 5.1964 5.1964 5.2781 5.2781 5.3996 5.3996 5.5744 5.5744 5.5946 5.5946 5.8281 5.8281 11.3097 11.3097 11.3804 11.3804 11.4020 11.4020 13.1874 13.1874 13.3844 13.3844 15.2335 15.2335 15.8005 15.8005 15.8961 15.8961 k = 0.0351 0.5000 0.0351 ( 4970 PWs) bands (ev): -45.0178 -45.0178 -21.7130 -21.7130 -21.0656 -21.0656 -21.0519 -21.0519 4.1752 4.1752 4.4668 4.4668 4.4705 4.4705 4.6391 4.6391 4.6649 4.6649 4.6689 4.6689 4.8420 4.8420 4.9540 4.9540 4.9977 4.9977 5.0321 5.0321 5.0819 5.0819 5.1982 5.1982 5.2785 5.2785 5.4023 5.4023 5.5721 5.5721 5.5949 5.5949 5.8065 5.8065 11.3376 11.3376 11.3880 11.3880 11.4105 11.4105 13.2164 13.2164 13.3822 13.3822 15.2314 15.2314 15.8270 15.8270 15.9253 15.9253 k = 0.0263 0.5000 0.0263 ( 4970 PWs) bands (ev): -45.0178 -45.0178 -21.7129 -21.7129 -21.0655 -21.0655 -21.0518 -21.0518 4.1696 4.1696 4.4649 4.4649 4.4691 4.4691 4.6396 4.6396 4.6647 4.6647 4.6683 4.6683 4.8412 4.8412 4.9560 4.9560 4.9983 4.9983 5.0382 5.0382 5.0771 5.0771 5.1999 5.1999 5.2789 5.2789 5.4045 5.4045 5.5693 5.5693 5.5963 5.5963 5.7891 5.7891 11.3584 11.3584 11.3952 11.3952 11.4172 11.4172 13.2390 13.2390 13.3805 13.3805 15.2299 15.2299 15.8487 15.8487 15.9493 15.9493 k = 0.0175 0.5000 0.0175 ( 4958 PWs) bands (ev): -45.0178 -45.0178 -21.7129 -21.7129 -21.0655 -21.0655 -21.0518 -21.0518 4.1655 4.1655 4.4634 4.4634 4.4682 4.4682 4.6400 4.6400 4.6643 4.6643 4.6681 4.6681 4.8407 4.8407 4.9572 4.9572 4.9987 4.9987 5.0442 5.0442 5.0724 5.0724 5.2012 5.2012 5.2790 5.2790 5.4063 5.4063 5.5670 5.5670 5.5977 5.5977 5.7764 5.7764 11.3719 11.3719 11.4021 11.4021 11.4220 11.4220 13.2552 13.2552 13.3793 13.3793 15.2288 15.2288 15.8646 15.8646 15.9673 15.9673 k = 0.0088 0.5000 0.0088 ( 4950 PWs) bands (ev): -45.0178 -45.0178 -21.7129 -21.7129 -21.0655 -21.0655 -21.0517 -21.0517 4.1630 4.1630 4.4625 4.4625 4.4678 4.4678 4.6402 4.6402 4.6639 4.6639 4.6680 4.6680 4.8404 4.8404 4.9579 4.9579 4.9989 4.9989 5.0494 5.0494 5.0680 5.0680 5.2020 5.2020 5.2792 5.2792 5.4074 5.4074 5.5656 5.5656 5.5986 5.5986 5.7686 5.7686 11.3789 11.3789 11.4074 11.4074 11.4250 11.4250 13.2649 13.2649 13.3786 13.3786 15.2282 15.2282 15.8743 15.8743 15.9784 15.9784 k = 0.0000 0.5000-0.0000 ( 4950 PWs) bands (ev): -45.0178 -45.0178 -21.7129 -21.7129 -21.0655 -21.0655 -21.0517 -21.0517 4.1622 4.1622 4.4622 4.4622 4.4676 4.4676 4.6403 4.6403 4.6638 4.6638 4.6680 4.6680 4.8403 4.8403 4.9581 4.9581 4.9990 4.9990 5.0518 5.0518 5.0659 5.0659 5.2023 5.2023 5.2792 5.2792 5.4078 5.4078 5.5651 5.5651 5.5989 5.5989 5.7659 5.7659 11.3809 11.3809 11.4094 11.4094 11.4260 11.4260 13.2682 13.2682 13.3784 13.3784 15.2279 15.2279 15.8776 15.8776 15.9821 15.9821 k = 0.5000 0.5000-0.0000 ( 4972 PWs) bands (ev): -45.0170 -45.0170 -21.7173 -21.7173 -21.0699 -21.0699 -21.0571 -21.0571 4.5448 4.5448 4.5486 4.5486 4.6153 4.6153 4.6697 4.6697 4.6932 4.6932 4.7015 4.7015 4.9918 4.9918 5.0087 5.0087 5.0209 5.0209 5.0261 5.0261 5.0908 5.0908 5.1012 5.1012 5.1737 5.1737 5.2760 5.2760 5.2948 5.2948 6.5333 6.5333 8.2218 8.2218 8.2226 8.2226 8.7556 8.7556 12.0188 12.0188 12.0260 12.0260 13.4349 13.4349 13.8567 13.8567 14.0654 14.0654 17.2900 17.2900 k = 0.5000 0.5000 0.0125 ( 4972 PWs) bands (ev): -45.0170 -45.0170 -21.7173 -21.7173 -21.0699 -21.0699 -21.0571 -21.0571 4.5442 4.5442 4.5480 4.5480 4.6142 4.6142 4.6672 4.6672 4.6933 4.6933 4.7030 4.7030 4.9910 4.9910 5.0065 5.0065 5.0218 5.0218 5.0296 5.0296 5.0920 5.0920 5.1008 5.1008 5.1735 5.1735 5.2760 5.2760 5.2957 5.2957 6.5355 6.5355 8.2228 8.2228 8.2235 8.2235 8.7574 8.7574 12.0174 12.0174 12.0245 12.0245 13.4352 13.4352 13.8568 13.8568 14.0608 14.0608 17.2680 17.2680 k = 0.5000 0.5000 0.0250 ( 4964 PWs) bands (ev): -45.0170 -45.0170 -21.7173 -21.7173 -21.0699 -21.0699 -21.0572 -21.0572 4.5425 4.5425 4.5460 4.5460 4.6109 4.6109 4.6607 4.6607 4.6935 4.6935 4.7066 4.7066 4.9890 4.9890 5.0026 5.0026 5.0240 5.0240 5.0375 5.0375 5.0954 5.0954 5.0996 5.0996 5.1730 5.1730 5.2762 5.2762 5.2984 5.2984 6.5421 6.5421 8.2256 8.2256 8.2261 8.2261 8.7627 8.7627 12.0132 12.0132 12.0202 12.0202 13.4361 13.4361 13.8571 13.8571 14.0473 14.0473 17.2066 17.2066 k = 0.5000 0.5000 0.0375 ( 4960 PWs) bands (ev): -45.0170 -45.0170 -21.7173 -21.7173 -21.0698 -21.0698 -21.0573 -21.0573 4.5395 4.5395 4.5429 4.5429 4.6056 4.6056 4.6520 4.6520 4.6938 4.6938 4.7106 4.7106 4.9866 4.9866 4.9992 4.9992 5.0268 5.0268 5.0473 5.0473 5.0975 5.0975 5.1011 5.1011 5.1723 5.1723 5.2766 5.2766 5.3027 5.3027 6.5530 6.5530 8.2303 8.2303 8.2306 8.2306 8.7716 8.7716 12.0061 12.0061 12.0129 12.0129 13.4375 13.4375 13.8576 13.8576 14.0245 14.0245 17.1167 17.1167 k = 0.5000 0.5000 0.0500 ( 4960 PWs) bands (ev): -45.0170 -45.0170 -21.7173 -21.7173 -21.0698 -21.0698 -21.0574 -21.0574 4.5354 4.5354 4.5384 4.5384 4.5986 4.5986 4.6418 4.6418 4.6940 4.6940 4.7142 4.7142 4.9844 4.9844 4.9971 4.9971 5.0295 5.0295 5.0580 5.0580 5.0949 5.0949 5.1087 5.1087 5.1717 5.1717 5.2772 5.2772 5.3084 5.3084 6.5683 6.5683 8.2369 8.2369 8.2370 8.2370 8.7840 8.7840 11.9962 11.9962 12.0027 12.0027 13.4396 13.4396 13.8583 13.8583 13.9924 13.9924 17.0097 17.0097 k = 0.5000 0.5000 0.0625 ( 4968 PWs) bands (ev): -45.0170 -45.0170 -21.7174 -21.7174 -21.0698 -21.0698 -21.0575 -21.0575 4.5302 4.5302 4.5328 4.5328 4.5900 4.5900 4.6308 4.6308 4.6942 4.6942 4.7173 4.7173 4.9827 4.9827 4.9962 4.9962 5.0319 5.0319 5.0691 5.0691 5.0918 5.0918 5.1180 5.1180 5.1716 5.1716 5.2781 5.2781 5.3152 5.3152 6.5879 6.5879 8.2451 8.2451 8.2454 8.2454 8.7999 8.7999 11.9834 11.9834 11.9895 11.9895 13.4421 13.4421 13.8592 13.8592 13.9507 13.9507 16.8943 16.8943 k = 0.5000 0.5000 0.0750 ( 4952 PWs) bands (ev): -45.0170 -45.0170 -21.7174 -21.7174 -21.0697 -21.0697 -21.0577 -21.0577 4.5240 4.5240 4.5260 4.5260 4.5801 4.5801 4.6190 4.6190 4.6942 4.6942 4.7197 4.7197 4.9817 4.9817 4.9964 4.9964 5.0341 5.0341 5.0786 5.0786 5.0901 5.0901 5.1285 5.1285 5.1721 5.1721 5.2793 5.2793 5.3230 5.3230 6.6117 6.6117 8.2550 8.2550 8.2557 8.2557 8.8193 8.8193 11.9678 11.9678 11.9734 11.9734 13.4452 13.4452 13.8602 13.8602 13.8992 13.8992 16.7767 16.7767 k = 0.5000 0.5000 0.0875 ( 4960 PWs) bands (ev): -45.0170 -45.0170 -21.7175 -21.7175 -21.0697 -21.0697 -21.0579 -21.0579 4.5168 4.5168 4.5182 4.5182 4.5691 4.5691 4.6068 4.6068 4.6941 4.6941 4.7214 4.7214 4.9814 4.9814 4.9977 4.9977 5.0359 5.0359 5.0799 5.0799 5.0959 5.0959 5.1398 5.1398 5.1738 5.1738 5.2811 5.2811 5.3315 5.3315 6.6396 6.6396 8.2668 8.2668 8.2680 8.2680 8.8421 8.8421 11.9492 11.9492 11.9543 11.9543 13.4488 13.4488 13.8378 13.8378 13.8613 13.8613 16.6613 16.6613 k = 0.5000 0.5000 0.1000 ( 4976 PWs) bands (ev): -45.0170 -45.0170 -21.7176 -21.7176 -21.0696 -21.0696 -21.0581 -21.0581 4.5087 4.5087 4.5094 4.5094 4.5573 4.5573 4.5941 4.5941 4.6939 4.6939 4.7225 4.7225 4.9819 4.9819 4.9997 4.9997 5.0375 5.0375 5.0763 5.0763 5.1057 5.1057 5.1514 5.1514 5.1771 5.1771 5.2835 5.2835 5.3406 5.3406 6.6715 6.6715 8.2804 8.2804 8.2822 8.2822 8.8683 8.8683 11.9278 11.9278 11.9322 11.9322 13.4528 13.4528 13.7665 13.7665 13.8624 13.8624 16.5507 16.5507 k = 0.5000 0.5000 0.1125 ( 4976 PWs) bands (ev): -45.0170 -45.0170 -21.7176 -21.7176 -21.0696 -21.0696 -21.0583 -21.0583 4.4997 4.4997 4.4998 4.4998 4.5447 4.5447 4.5812 4.5812 4.6936 4.6936 4.7231 4.7231 4.9830 4.9830 5.0022 5.0022 5.0391 5.0391 5.0721 5.0721 5.1148 5.1148 5.1629 5.1629 5.1823 5.1823 5.2868 5.2868 5.3501 5.3501 6.7074 6.7074 8.2958 8.2958 8.2983 8.2983 8.8978 8.8978 11.9034 11.9034 11.9072 11.9072 13.4571 13.4571 13.6854 13.6854 13.8636 13.8636 16.4468 16.4468 k = 0.5000 0.5000 0.1250 ( 4968 PWs) bands (ev): -45.0169 -45.0169 -21.7177 -21.7177 -21.0695 -21.0695 -21.0586 -21.0586 4.4893 4.4893 4.4903 4.4903 4.5316 4.5316 4.5682 4.5682 4.6933 4.6933 4.7234 4.7234 4.9846 4.9846 5.0047 5.0047 5.0405 5.0405 5.0682 5.0682 5.1224 5.1224 5.1738 5.1738 5.1899 5.1899 5.2913 5.2913 5.3599 5.3599 6.7471 6.7471 8.3131 8.3131 8.3163 8.3163 8.9306 8.9306 11.8762 11.8762 11.8792 11.8792 13.4613 13.4613 13.5952 13.5952 13.8648 13.8648 16.3505 16.3505 k = 0.5000 0.5000 0.1375 ( 4976 PWs) bands (ev): -45.0169 -45.0169 -21.7178 -21.7178 -21.0694 -21.0694 -21.0589 -21.0589 4.4782 4.4782 4.4801 4.4801 4.5181 4.5181 4.5551 4.5551 4.6930 4.6930 4.7233 4.7233 4.9868 4.9868 5.0067 5.0067 5.0419 5.0419 5.0649 5.0649 5.1282 5.1282 5.1837 5.1837 5.1998 5.1998 5.2972 5.2972 5.3700 5.3700 6.7906 6.7906 8.3323 8.3323 8.3362 8.3362 8.9665 8.9665 11.8460 11.8460 11.8481 11.8481 13.4594 13.4594 13.5022 13.5022 13.8658 13.8658 16.2625 16.2625 k = 0.5000 0.5000 0.1500 ( 4976 PWs) bands (ev): -45.0169 -45.0169 -21.7179 -21.7179 -21.0693 -21.0693 -21.0592 -21.0592 4.4666 4.4666 4.4695 4.4695 4.5042 4.5042 4.5419 4.5419 4.6927 4.6927 4.7230 4.7230 4.9893 4.9893 5.0080 5.0080 5.0434 5.0434 5.0627 5.0627 5.1325 5.1325 5.1922 5.1922 5.2115 5.2115 5.3047 5.3047 5.3802 5.3802 6.8377 6.8377 8.3533 8.3533 8.3581 8.3581 9.0054 9.0054 11.8128 11.8128 11.8141 11.8141 13.3796 13.3796 13.4788 13.4788 13.8668 13.8668 16.1828 16.1828 k = 0.5000 0.5000 0.1625 ( 4976 PWs) bands (ev): -45.0169 -45.0169 -21.7180 -21.7180 -21.0692 -21.0692 -21.0595 -21.0595 4.4546 4.4546 4.4585 4.4585 4.4902 4.4902 4.5289 4.5289 4.6925 4.6925 4.7224 4.7224 4.9922 4.9922 5.0080 5.0080 5.0448 5.0448 5.0619 5.0619 5.1359 5.1359 5.1992 5.1992 5.2246 5.2246 5.3138 5.3138 5.3904 5.3904 6.8884 6.8884 8.3762 8.3762 8.3819 8.3819 9.0474 9.0474 11.7768 11.7768 11.7772 11.7772 13.2643 13.2643 13.4832 13.4832 13.8675 13.8675 16.1112 16.1112 k = 0.5000 0.5000 0.1750 ( 4972 PWs) bands (ev): -45.0169 -45.0169 -21.7181 -21.7181 -21.0691 -21.0691 -21.0599 -21.0599 4.4423 4.4423 4.4472 4.4472 4.4760 4.4760 4.5159 4.5159 4.6922 4.6922 4.7217 4.7217 4.9953 4.9953 5.0068 5.0068 5.0463 5.0463 5.0625 5.0625 5.1387 5.1387 5.2047 5.2047 5.2385 5.2385 5.3245 5.3245 5.4007 5.4007 6.9426 6.9426 8.4010 8.4010 8.4076 8.4076 9.0922 9.0922 11.7372 11.7372 11.7379 11.7379 13.1405 13.1405 13.4893 13.4893 13.8679 13.8679 16.0475 16.0475 k = 0.5000 0.5000 0.1875 ( 4956 PWs) bands (ev): -45.0168 -45.0168 -21.7182 -21.7182 -21.0690 -21.0690 -21.0602 -21.0602 4.4298 4.4298 4.4358 4.4358 4.4619 4.4619 4.5031 4.5031 4.6920 4.6920 4.7209 4.7209 4.9985 4.9985 5.0044 5.0044 5.0479 5.0479 5.0642 5.0642 5.1413 5.1413 5.2087 5.2087 5.2529 5.2529 5.3365 5.3365 5.4110 5.4110 7.0001 7.0001 8.4277 8.4277 8.4353 8.4353 9.1397 9.1397 11.6945 11.6945 11.6961 11.6961 13.0101 13.0101 13.4960 13.4960 13.8679 13.8679 15.9909 15.9909 k = 0.5000 0.5000 0.2000 ( 4956 PWs) bands (ev): -45.0168 -45.0168 -21.7183 -21.7183 -21.0689 -21.0689 -21.0606 -21.0606 4.4173 4.4173 4.4243 4.4243 4.4479 4.4479 4.4906 4.4906 4.6919 4.6919 4.7199 4.7199 5.0012 5.0012 5.0019 5.0019 5.0496 5.0496 5.0666 5.0666 5.1438 5.1438 5.2116 5.2116 5.2674 5.2674 5.3495 5.3495 5.4212 5.4212 7.0610 7.0610 8.4563 8.4563 8.4648 8.4648 9.1898 9.1898 11.6488 11.6488 11.6515 11.6515 12.8742 12.8742 13.5030 13.5030 13.8674 13.8674 15.9410 15.9410 k = 0.5000 0.5000 0.2125 ( 4948 PWs) bands (ev): -45.0168 -45.0168 -21.7184 -21.7184 -21.0688 -21.0688 -21.0610 -21.0610 4.4047 4.4047 4.4127 4.4127 4.4340 4.4340 4.4782 4.4782 4.6917 4.6917 4.7188 4.7188 4.9975 4.9975 5.0053 5.0053 5.0514 5.0514 5.0695 5.0695 5.1464 5.1464 5.2136 5.2136 5.2820 5.2820 5.3632 5.3632 5.4314 5.4314 7.1251 7.1251 8.4868 8.4868 8.4963 8.4963 9.2424 9.2424 11.6005 11.6005 11.6041 11.6041 12.7337 12.7337 13.5103 13.5103 13.8664 13.8664 15.8970 15.8970 k = 0.5000 0.5000 0.2250 ( 4956 PWs) bands (ev): -45.0168 -45.0168 -21.7186 -21.7186 -21.0687 -21.0687 -21.0614 -21.0614 4.3922 4.3922 4.4013 4.4013 4.4203 4.4203 4.4662 4.4662 4.6916 4.6916 4.7176 4.7176 4.9935 4.9935 5.0088 5.0088 5.0532 5.0532 5.0724 5.0724 5.1491 5.1491 5.2149 5.2149 5.2964 5.2964 5.3773 5.3773 5.4413 5.4413 7.1924 7.1924 8.5191 8.5191 8.5296 8.5296 9.2972 9.2972 11.5495 11.5495 11.5542 11.5542 12.5895 12.5895 13.5178 13.5178 13.8647 13.8647 15.8583 15.8583 k = 0.5000 0.5000 0.2375 ( 4944 PWs) bands (ev): -45.0167 -45.0167 -21.7187 -21.7187 -21.0686 -21.0686 -21.0618 -21.0618 4.3799 4.3799 4.3900 4.3900 4.4070 4.4070 4.4545 4.4545 4.6915 4.6915 4.7163 4.7163 4.9895 4.9895 5.0122 5.0122 5.0552 5.0552 5.0752 5.0752 5.1522 5.1522 5.2156 5.2156 5.3106 5.3106 5.3916 5.3916 5.4511 5.4511 7.2627 7.2627 8.5533 8.5533 8.5648 8.5648 9.3541 9.3541 11.4959 11.4959 11.5017 11.5017 12.4422 12.4422 13.5254 13.5254 13.8623 13.8623 15.8243 15.8243 k = 0.5000 0.5000 0.2500 ( 4936 PWs) bands (ev): -45.0167 -45.0167 -21.7188 -21.7188 -21.0685 -21.0685 -21.0622 -21.0622 4.3678 4.3678 4.3788 4.3788 4.3940 4.3940 4.4432 4.4432 4.6914 4.6914 4.7149 4.7149 4.9856 4.9856 5.0155 5.0155 5.0572 5.0572 5.0778 5.0778 5.1554 5.1554 5.2159 5.2159 5.3244 5.3244 5.4058 5.4058 5.4607 5.4607 7.3362 7.3362 8.5893 8.5893 8.6019 8.6019 9.4128 9.4128 11.4400 11.4400 11.4468 11.4468 12.2927 12.2927 13.5330 13.5330 13.8589 13.8589 15.7944 15.7944 k = 0.5000 0.5000 0.2625 ( 4936 PWs) bands (ev): -45.0167 -45.0167 -21.7189 -21.7189 -21.0684 -21.0684 -21.0625 -21.0625 4.3559 4.3559 4.3680 4.3680 4.3814 4.3814 4.4322 4.4322 4.6913 4.6913 4.7135 4.7135 4.9818 4.9818 5.0187 5.0187 5.0593 5.0593 5.0800 5.0800 5.1589 5.1589 5.2159 5.2159 5.3378 5.3378 5.4200 5.4200 5.4701 5.4701 7.4126 7.4126 8.6271 8.6271 8.6407 8.6407 9.4732 9.4732 11.3819 11.3819 11.3897 11.3897 12.1415 12.1415 13.5407 13.5407 13.8545 13.8545 15.7682 15.7682 k = 0.5000 0.5000 0.2750 ( 4928 PWs) bands (ev): -45.0167 -45.0167 -21.7191 -21.7191 -21.0683 -21.0683 -21.0629 -21.0629 4.3444 4.3444 4.3574 4.3574 4.3692 4.3692 4.4217 4.4217 4.6913 4.6913 4.7119 4.7119 4.9782 4.9782 5.0218 5.0218 5.0615 5.0615 5.0819 5.0819 5.1626 5.1626 5.2157 5.2157 5.3507 5.3507 5.4339 5.4339 5.4792 5.4792 7.4920 7.4920 8.6666 8.6666 8.6812 8.6812 9.5349 9.5349 11.3218 11.3218 11.3305 11.3305 11.9891 11.9891 13.5484 13.5484 13.8491 13.8491 15.7452 15.7452 k = 0.5000 0.5000 0.2875 ( 4912 PWs) bands (ev): -45.0166 -45.0166 -21.7192 -21.7192 -21.0682 -21.0682 -21.0633 -21.0633 4.3333 4.3333 4.3472 4.3472 4.3576 4.3576 4.4116 4.4116 4.6912 4.6912 4.7103 4.7103 4.9748 4.9748 5.0248 5.0248 5.0637 5.0637 5.0835 5.0835 5.1664 5.1664 5.2153 5.2153 5.3631 5.3631 5.4473 5.4473 5.4880 5.4880 7.5743 7.5743 8.7078 8.7078 8.7234 8.7234 9.5976 9.5976 11.2598 11.2598 11.2695 11.2695 11.8360 11.8360 13.5560 13.5560 13.8424 13.8424 15.7250 15.7250 k = 0.5000 0.5000 0.3000 ( 4912 PWs) bands (ev): -45.0166 -45.0166 -21.7193 -21.7193 -21.0681 -21.0681 -21.0637 -21.0637 4.3226 4.3226 4.3374 4.3374 4.3465 4.3465 4.4020 4.4020 4.6911 4.6911 4.7087 4.7087 4.9716 4.9716 5.0276 5.0276 5.0660 5.0660 5.0849 5.0849 5.1702 5.1702 5.2148 5.2148 5.3749 5.3749 5.4604 5.4604 5.4965 5.4965 7.6595 7.6595 8.7505 8.7505 8.7672 8.7672 9.6611 9.6611 11.1963 11.1963 11.2069 11.2069 11.6827 11.6827 13.5634 13.5634 13.8344 13.8344 15.7073 15.7073 k = 0.5000 0.5000 0.3125 ( 4904 PWs) bands (ev): -45.0166 -45.0166 -21.7194 -21.7194 -21.0680 -21.0680 -21.0641 -21.0641 4.3123 4.3123 4.3281 4.3281 4.3359 4.3359 4.3929 4.3929 4.6911 4.6911 4.7070 4.7070 4.9687 4.9687 5.0302 5.0302 5.0683 5.0683 5.0859 5.0859 5.1741 5.1741 5.2142 5.2142 5.3860 5.3860 5.4729 5.4729 5.5047 5.5047 7.7475 7.7475 8.7948 8.7948 8.8124 8.8124 9.7249 9.7249 11.1315 11.1315 11.1429 11.1429 11.5295 11.5295 13.5707 13.5707 13.8250 13.8250 15.6917 15.6917 k = 0.5000 0.5000 0.3250 ( 4912 PWs) bands (ev): -45.0166 -45.0166 -21.7195 -21.7195 -21.0679 -21.0679 -21.0644 -21.0644 4.3026 4.3026 4.3192 4.3192 4.3259 4.3259 4.3843 4.3843 4.6910 4.6910 4.7053 4.7053 4.9661 4.9661 5.0326 5.0326 5.0705 5.0705 5.0868 5.0868 5.1779 5.1779 5.2136 5.2136 5.3966 5.3966 5.4848 5.4848 5.5125 5.5125 7.8383 7.8383 8.8403 8.8403 8.8590 8.8590 9.7887 9.7887 11.0657 11.0657 11.0778 11.0778 11.3768 11.3768 13.5777 13.5777 13.8142 13.8142 15.6780 15.6780 k = 0.5000 0.5000 0.3375 ( 4904 PWs) bands (ev): -45.0165 -45.0165 -21.7196 -21.7196 -21.0678 -21.0678 -21.0648 -21.0648 4.2934 4.2934 4.3108 4.3108 4.3165 4.3165 4.3762 4.3762 4.6909 4.6909 4.7036 4.7036 4.9637 4.9637 5.0349 5.0349 5.0728 5.0728 5.0874 5.0874 5.1817 5.1817 5.2129 5.2129 5.4064 5.4064 5.4960 5.4960 5.5199 5.5199 7.9319 7.9319 8.8871 8.8871 8.9067 8.9067 9.8521 9.8521 10.9991 10.9991 11.0120 11.0120 11.2247 11.2247 13.5845 13.5845 13.8019 13.8019 15.6660 15.6660 k = 0.5000 0.5000 0.3500 ( 4908 PWs) bands (ev): -45.0165 -45.0165 -21.7197 -21.7197 -21.0677 -21.0677 -21.0651 -21.0651 4.2848 4.2848 4.3029 4.3029 4.3077 4.3077 4.3687 4.3687 4.6908 4.6908 4.7019 4.7019 4.9615 4.9615 5.0370 5.0370 5.0749 5.0749 5.0880 5.0880 5.1853 5.1853 5.2123 5.2123 5.4156 5.4156 5.5066 5.5066 5.5269 5.5269 8.0281 8.0281 8.9348 8.9348 8.9554 8.9554 9.9145 9.9145 10.9323 10.9323 10.9458 10.9458 11.0736 11.0736 13.5910 13.5910 13.7882 13.7882 15.6554 15.6554 k = 0.5000 0.5000 0.3625 ( 4908 PWs) bands (ev): -45.0165 -45.0165 -21.7198 -21.7198 -21.0676 -21.0676 -21.0654 -21.0654 4.2767 4.2767 4.2956 4.2956 4.2996 4.2996 4.3617 4.3617 4.6907 4.6907 4.7003 4.7003 4.9596 4.9596 5.0390 5.0390 5.0770 5.0770 5.0884 5.0884 5.1887 5.1887 5.2116 5.2116 5.4240 5.4240 5.5164 5.5164 5.5334 5.5334 8.1272 8.1272 8.9833 8.9833 9.0048 9.0048 9.9755 9.9755 10.8654 10.8654 10.8796 10.8796 10.9237 10.9237 13.5971 13.5971 13.7733 13.7733 15.6462 15.6462 k = 0.5000 0.5000 0.3750 ( 4912 PWs) bands (ev): -45.0165 -45.0165 -21.7199 -21.7199 -21.0675 -21.0675 -21.0657 -21.0657 4.2693 4.2693 4.2888 4.2888 4.2921 4.2921 4.3553 4.3553 4.6907 4.6907 4.6987 4.6987 4.9579 4.9579 5.0407 5.0407 5.0790 5.0790 5.0887 5.0887 5.1919 5.1919 5.2110 5.2110 5.4317 5.4317 5.5255 5.5255 5.5395 5.5395 8.2288 8.2288 9.0321 9.0321 9.0545 9.0545 10.0344 10.0344 10.7742 10.7742 10.8002 10.8002 10.8139 10.8139 13.6028 13.6028 13.7572 13.7572 15.6380 15.6380 k = 0.5000 0.5000 0.3875 ( 4912 PWs) bands (ev): -45.0165 -45.0165 -21.7200 -21.7200 -21.0675 -21.0675 -21.0659 -21.0659 4.2625 4.2625 4.2827 4.2827 4.2853 4.2853 4.3494 4.3494 4.6906 4.6906 4.6972 4.6972 4.9564 4.9564 5.0423 5.0423 5.0809 5.0809 5.0889 5.0889 5.1948 5.1948 5.2105 5.2105 5.4387 5.4387 5.5338 5.5338 5.5450 5.5450 8.3332 8.3332 9.0810 9.0810 9.1043 9.1043 10.0906 10.0906 10.6275 10.6275 10.7348 10.7348 10.7493 10.7493 13.6081 13.6081 13.7404 13.7404 15.6309 15.6309 k = 0.5000 0.5000 0.4000 ( 4912 PWs) bands (ev): -45.0164 -45.0164 -21.7201 -21.7201 -21.0674 -21.0674 -21.0662 -21.0662 4.2564 4.2564 4.2771 4.2771 4.2791 4.2791 4.3442 4.3442 4.6905 4.6905 4.6958 4.6958 4.9551 4.9551 5.0437 5.0437 5.0826 5.0826 5.0891 5.0891 5.1975 5.1975 5.2100 5.2100 5.4450 5.4450 5.5412 5.5412 5.5501 5.5501 8.4401 8.4401 9.1293 9.1293 9.1535 9.1535 10.1435 10.1435 10.4819 10.4819 10.6716 10.6716 10.6864 10.6864 13.6130 13.6130 13.7231 13.7231 15.6246 15.6246 k = 0.5000 0.5000 0.4125 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7202 -21.7202 -21.0673 -21.0673 -21.0664 -21.0664 4.2510 4.2510 4.2722 4.2722 4.2737 4.2737 4.3395 4.3395 4.6904 4.6904 4.6946 4.6946 4.9540 4.9540 5.0449 5.0449 5.0842 5.0842 5.0892 5.0892 5.1999 5.1999 5.2095 5.2095 5.4505 5.4505 5.5479 5.5479 5.5546 5.5546 8.5497 8.5497 9.1765 9.1765 9.2015 9.2015 10.1925 10.1925 10.3381 10.3381 10.6111 10.6111 10.6260 10.6260 13.6173 13.6173 13.7058 13.7058 15.6190 15.6190 k = 0.5000 0.5000 0.4250 ( 4912 PWs) bands (ev): -45.0164 -45.0164 -21.7202 -21.7202 -21.0673 -21.0673 -21.0666 -21.0666 4.2463 4.2463 4.2679 4.2679 4.2690 4.2690 4.3355 4.3355 4.6903 4.6903 4.6934 4.6934 4.9531 4.9531 5.0460 5.0460 5.0855 5.0855 5.0893 5.0893 5.2020 5.2020 5.2091 5.2091 5.4553 5.4553 5.5536 5.5536 5.5586 5.5586 8.6618 8.6618 9.2216 9.2216 9.2475 9.2475 10.1962 10.1962 10.2367 10.2367 10.5540 10.5540 10.5691 10.5691 13.6211 13.6211 13.6890 13.6890 15.6141 15.6141 k = 0.5000 0.5000 0.4375 ( 4912 PWs) bands (ev): -45.0164 -45.0164 -21.7203 -21.7203 -21.0672 -21.0672 -21.0667 -21.0667 4.2422 4.2422 4.2642 4.2642 4.2650 4.2650 4.3320 4.3320 4.6903 4.6903 4.6924 4.6924 4.9523 4.9523 5.0469 5.0469 5.0867 5.0867 5.0893 5.0893 5.2038 5.2038 5.2088 5.2088 5.4594 5.4594 5.5586 5.5586 5.5620 5.5620 8.7764 8.7764 9.2637 9.2637 9.2904 9.2904 10.0562 10.0562 10.2755 10.2755 10.5017 10.5017 10.5168 10.5168 13.6244 13.6244 13.6734 13.6734 15.6096 15.6096 k = 0.5000 0.5000 0.4500 ( 4912 PWs) bands (ev): -45.0164 -45.0164 -21.7203 -21.7203 -21.0672 -21.0672 -21.0669 -21.0669 4.2389 4.2389 4.2612 4.2612 4.2617 4.2617 4.3292 4.3292 4.6902 4.6902 4.6916 4.6916 4.9517 4.9517 5.0477 5.0477 5.0877 5.0877 5.0894 5.0894 5.2053 5.2053 5.2085 5.2085 5.4627 5.4627 5.5626 5.5626 5.5648 5.5648 8.8935 8.8935 9.3015 9.3015 9.3290 9.3290 9.9182 9.9182 10.3083 10.3083 10.4555 10.4555 10.4705 10.4705 13.6271 13.6271 13.6595 13.6595 15.6054 15.6054 k = 0.5000 0.5000 0.4625 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7204 -21.7204 -21.0672 -21.0672 -21.0670 -21.0670 4.2364 4.2364 4.2589 4.2589 4.2591 4.2591 4.3270 4.3270 4.6902 4.6902 4.6910 4.6910 4.9512 4.9512 5.0482 5.0482 5.0885 5.0885 5.0894 5.0894 5.2065 5.2065 5.2083 5.2083 5.4653 5.4653 5.5657 5.5657 5.5670 5.5670 9.0131 9.0131 9.3334 9.3334 9.3616 9.3616 9.7825 9.7825 10.3342 10.3342 10.4169 10.4169 10.4321 10.4321 13.6293 13.6293 13.6479 13.6479 15.6016 15.6016 k = 0.5000 0.5000 0.4750 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7204 -21.7204 -21.0671 -21.0671 -21.0671 -21.0671 4.2345 4.2345 4.2572 4.2572 4.2573 4.2573 4.3255 4.3255 4.6901 4.6901 4.6905 4.6905 4.9509 4.9509 5.0486 5.0486 5.0890 5.0890 5.0895 5.0895 5.2073 5.2073 5.2081 5.2081 5.4671 5.4671 5.5680 5.5680 5.5685 5.5685 9.1349 9.1349 9.3579 9.3579 9.3866 9.3866 9.6490 9.6490 10.3524 10.3524 10.3876 10.3876 10.4036 10.4036 13.6308 13.6308 13.6392 13.6392 15.5984 15.5988 k = 0.5000 0.5000 0.4875 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7204 -21.7204 -21.0671 -21.0671 -21.0671 -21.0671 4.2334 4.2334 4.2562 4.2562 4.2562 4.2562 4.3245 4.3245 4.6901 4.6901 4.6902 4.6902 4.9507 4.9507 5.0489 5.0489 5.0894 5.0894 5.0895 5.0895 5.2078 5.2078 5.2080 5.2080 5.4682 5.4682 5.5694 5.5694 5.5695 5.5695 9.2585 9.2585 9.3734 9.3734 9.4024 9.4024 9.5183 9.5183 10.3616 10.3616 10.3693 10.3693 10.3876 10.3876 13.6317 13.6317 13.6339 13.6339 15.5963 15.5971 k = 0.5000 0.5000 0.5000 ( 4896 PWs) bands (ev): -45.0164 -45.0164 -21.7204 -21.7204 -21.0671 -21.0671 -21.0671 -21.0671 4.2330 4.2330 4.2558 4.2558 4.2558 4.2558 4.3242 4.3242 4.6901 4.6901 4.6901 4.6901 4.9506 4.9506 5.0490 5.0490 5.0895 5.0895 5.0895 5.0895 5.2080 5.2080 5.2080 5.2080 5.4686 5.4686 5.5698 5.5698 5.5698 5.5698 9.3637 9.3637 9.3817 9.3817 9.4078 9.4078 9.4078 9.4078 10.3630 10.3630 10.3630 10.3630 10.3837 10.3837 13.6320 13.6320 13.6320 13.6320 15.5955 15.5955 Writing output data file TiZn3.save init_run : 0.14s CPU 0.38s WALL ( 1 calls) electrons : 201.60s CPU 206.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 201.58s CPU 206.55s 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 : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 310 calls) cegterg : 188.46s CPU 190.71s WALL ( 446 calls) Called by sum_band: Called by *egterg: h_psi : 113.27s CPU 115.12s WALL ( 7296 calls) s_psi : 5.25s CPU 5.26s WALL ( 7296 calls) g_psi : 0.36s CPU 0.34s WALL ( 6540 calls) cdiaghg : 56.15s CPU 56.73s WALL ( 6850 calls) cegterg:over : 8.58s CPU 8.49s WALL ( 6540 calls) cegterg:upda : 6.82s CPU 6.98s WALL ( 6540 calls) cegterg:last : 4.46s CPU 4.55s WALL ( 1349 calls) cdiaghg:chol : 3.05s CPU 3.24s WALL ( 6850 calls) cdiaghg:inve : 2.16s CPU 2.22s WALL ( 6850 calls) cdiaghg:para : 3.71s CPU 3.65s WALL ( 13700 calls) Called by h_psi: h_psi:vloc : 99.67s CPU 101.24s WALL ( 7296 calls) h_psi:vnl : 13.28s CPU 13.54s WALL ( 7296 calls) add_vuspsi : 6.93s CPU 7.17s WALL ( 7296 calls) General routines calbec : 6.32s CPU 6.34s WALL ( 7296 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 94.67s CPU 96.25s WALL ( 915288 calls) davcio : 0.24s CPU 0.31s WALL ( 620 calls) Parallel routines fft_scatter : 32.77s CPU 33.02s WALL ( 915303 calls) PWSCF : 3m38.72s CPU 3m59.37s WALL This run was terminated on: 21:22: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=