Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:49 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: ./TiNi.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 23 6 495 495 80 Max 24 24 8 498 498 85 Sum 829 829 249 17845 17845 2969 bravais-lattice index = 14 lattice parameter (alat) = 5.6975 a.u. unit-cell volume = 184.9518 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 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)= 5.697524 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 atomic species valence mass pseudopotential Ni 10.00 58.69340 Ni( 1.00) Ti 12.00 47.86700 Ti( 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= 404 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0000000 0.0094340 -0.0000000), wk = 0.0024752 k( 3) = ( 0.0000000 0.0188679 -0.0000000), wk = 0.0024752 k( 4) = ( 0.0000000 0.0283019 -0.0000000), wk = 0.0024752 k( 5) = ( 0.0000000 0.0377359 -0.0000000), wk = 0.0024752 k( 6) = ( 0.0000000 0.0471698 -0.0000000), wk = 0.0024752 k( 7) = ( 0.0000000 0.0566038 -0.0000000), wk = 0.0024752 k( 8) = ( 0.0000000 0.0660377 -0.0000000), wk = 0.0024752 k( 9) = ( 0.0000000 0.0754717 -0.0000000), wk = 0.0024752 k( 10) = ( 0.0000000 0.0849057 -0.0000000), wk = 0.0024752 k( 11) = ( 0.0000000 0.0943396 -0.0000000), wk = 0.0024752 k( 12) = ( 0.0000000 0.1037736 -0.0000000), wk = 0.0024752 k( 13) = ( 0.0000000 0.1132076 -0.0000000), wk = 0.0024752 k( 14) = ( 0.0000000 0.1226415 -0.0000000), wk = 0.0024752 k( 15) = ( 0.0000000 0.1320755 -0.0000000), wk = 0.0024752 k( 16) = ( 0.0000000 0.1415094 -0.0000000), wk = 0.0024752 k( 17) = ( 0.0000000 0.1509434 -0.0000000), wk = 0.0024752 k( 18) = ( 0.0000000 0.1603774 -0.0000000), wk = 0.0024752 k( 19) = ( 0.0000000 0.1698113 -0.0000000), wk = 0.0024752 k( 20) = ( 0.0000000 0.1792453 -0.0000000), wk = 0.0024752 k( 21) = ( 0.0000000 0.1886792 -0.0000000), wk = 0.0024752 k( 22) = ( 0.0000000 0.1981132 -0.0000000), wk = 0.0024752 k( 23) = ( 0.0000000 0.2075472 -0.0000000), wk = 0.0024752 k( 24) = ( 0.0000000 0.2169811 -0.0000000), wk = 0.0024752 k( 25) = ( 0.0000000 0.2264151 -0.0000000), wk = 0.0024752 k( 26) = ( 0.0000000 0.2358491 -0.0000000), wk = 0.0024752 k( 27) = ( 0.0000000 0.2452830 -0.0000000), wk = 0.0024752 k( 28) = ( 0.0000000 0.2547170 -0.0000000), wk = 0.0024752 k( 29) = ( 0.0000000 0.2641509 -0.0000000), wk = 0.0024752 k( 30) = ( 0.0000000 0.2735849 -0.0000000), wk = 0.0024752 k( 31) = ( 0.0000000 0.2830189 -0.0000000), wk = 0.0024752 k( 32) = ( 0.0000000 0.2924528 -0.0000000), wk = 0.0024752 k( 33) = ( 0.0000000 0.3018868 -0.0000000), wk = 0.0024752 k( 34) = ( 0.0000000 0.3113207 -0.0000000), wk = 0.0024752 k( 35) = ( 0.0000000 0.3207547 -0.0000000), wk = 0.0024752 k( 36) = ( 0.0000000 0.3301887 -0.0000000), wk = 0.0024752 k( 37) = ( 0.0000000 0.3396226 -0.0000000), wk = 0.0024752 k( 38) = ( 0.0000000 0.3490566 -0.0000000), wk = 0.0024752 k( 39) = ( 0.0000000 0.3584906 -0.0000000), wk = 0.0024752 k( 40) = ( 0.0000000 0.3679245 -0.0000000), wk = 0.0024752 k( 41) = ( 0.0000000 0.3773585 -0.0000000), wk = 0.0024752 k( 42) = ( 0.0000000 0.3867925 -0.0000000), wk = 0.0024752 k( 43) = ( 0.0000000 0.3962264 -0.0000000), wk = 0.0024752 k( 44) = ( 0.0000000 0.4056604 -0.0000000), wk = 0.0024752 k( 45) = ( 0.0000000 0.4150943 -0.0000000), wk = 0.0024752 k( 46) = ( 0.0000000 0.4245283 -0.0000000), wk = 0.0024752 k( 47) = ( 0.0000000 0.4339623 -0.0000000), wk = 0.0024752 k( 48) = ( 0.0000000 0.4433962 -0.0000000), wk = 0.0024752 k( 49) = ( 0.0000000 0.4528302 -0.0000000), wk = 0.0024752 k( 50) = ( 0.0000000 0.4622641 -0.0000000), wk = 0.0024752 k( 51) = ( 0.0000000 0.4716981 -0.0000000), wk = 0.0024752 k( 52) = ( 0.0000000 0.4811321 -0.0000000), wk = 0.0024752 k( 53) = ( 0.0000000 0.4905660 -0.0000000), wk = 0.0024752 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024752 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024752 k( 56) = ( 0.0094340 0.5000000 -0.0000000), wk = 0.0024752 k( 57) = ( 0.0188679 0.5000000 -0.0000000), wk = 0.0024752 k( 58) = ( 0.0283019 0.5000000 -0.0000000), wk = 0.0024752 k( 59) = ( 0.0377359 0.5000000 -0.0000000), wk = 0.0024752 k( 60) = ( 0.0471698 0.5000000 -0.0000000), wk = 0.0024752 k( 61) = ( 0.0566038 0.5000000 -0.0000000), wk = 0.0024752 k( 62) = ( 0.0660377 0.5000000 -0.0000000), wk = 0.0024752 k( 63) = ( 0.0754717 0.5000000 -0.0000000), wk = 0.0024752 k( 64) = ( 0.0849057 0.5000000 -0.0000000), wk = 0.0024752 k( 65) = ( 0.0943396 0.5000000 -0.0000000), wk = 0.0024752 k( 66) = ( 0.1037736 0.5000000 -0.0000000), wk = 0.0024752 k( 67) = ( 0.1132076 0.5000000 -0.0000000), wk = 0.0024752 k( 68) = ( 0.1226415 0.5000000 -0.0000000), wk = 0.0024752 k( 69) = ( 0.1320755 0.5000000 -0.0000000), wk = 0.0024752 k( 70) = ( 0.1415094 0.5000000 -0.0000000), wk = 0.0024752 k( 71) = ( 0.1509434 0.5000000 -0.0000000), wk = 0.0024752 k( 72) = ( 0.1603774 0.5000000 -0.0000000), wk = 0.0024752 k( 73) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0024752 k( 74) = ( 0.1792453 0.5000000 -0.0000000), wk = 0.0024752 k( 75) = ( 0.1886792 0.5000000 -0.0000000), wk = 0.0024752 k( 76) = ( 0.1981132 0.5000000 -0.0000000), wk = 0.0024752 k( 77) = ( 0.2075472 0.5000000 -0.0000000), wk = 0.0024752 k( 78) = ( 0.2169811 0.5000000 -0.0000000), wk = 0.0024752 k( 79) = ( 0.2264151 0.5000000 -0.0000000), wk = 0.0024752 k( 80) = ( 0.2358491 0.5000000 -0.0000000), wk = 0.0024752 k( 81) = ( 0.2452830 0.5000000 -0.0000000), wk = 0.0024752 k( 82) = ( 0.2547170 0.5000000 -0.0000000), wk = 0.0024752 k( 83) = ( 0.2641509 0.5000000 -0.0000000), wk = 0.0024752 k( 84) = ( 0.2735849 0.5000000 -0.0000000), wk = 0.0024752 k( 85) = ( 0.2830189 0.5000000 -0.0000000), wk = 0.0024752 k( 86) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0024752 k( 87) = ( 0.3018868 0.5000000 -0.0000000), wk = 0.0024752 k( 88) = ( 0.3113207 0.5000000 -0.0000000), wk = 0.0024752 k( 89) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0024752 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0024752 k( 91) = ( 0.3396226 0.5000000 -0.0000000), wk = 0.0024752 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0024752 k( 93) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0024752 k( 94) = ( 0.3679245 0.5000000 -0.0000000), wk = 0.0024752 k( 95) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0024752 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0024752 k( 97) = ( 0.3962264 0.5000000 -0.0000000), wk = 0.0024752 k( 98) = ( 0.4056604 0.5000000 -0.0000000), wk = 0.0024752 k( 99) = ( 0.4150943 0.5000000 -0.0000000), wk = 0.0024752 k( 100) = ( 0.4245283 0.5000000 -0.0000000), wk = 0.0024752 k( 101) = ( 0.4339623 0.5000000 -0.0000000), wk = 0.0024752 k( 102) = ( 0.4433962 0.5000000 -0.0000000), wk = 0.0024752 k( 103) = ( 0.4528302 0.5000000 -0.0000000), wk = 0.0024752 k( 104) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0024752 k( 105) = ( 0.4716981 0.5000000 -0.0000000), wk = 0.0024752 k( 106) = ( 0.4811321 0.5000000 -0.0000000), wk = 0.0024752 k( 107) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0024752 k( 108) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024752 k( 109) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024752 k( 110) = ( 0.4932432 0.4932432 -0.0000000), wk = 0.0024752 k( 111) = ( 0.4864865 0.4864865 -0.0000000), wk = 0.0024752 k( 112) = ( 0.4797297 0.4797297 -0.0000000), wk = 0.0024752 k( 113) = ( 0.4729730 0.4729730 -0.0000000), wk = 0.0024752 k( 114) = ( 0.4662162 0.4662162 -0.0000000), wk = 0.0024752 k( 115) = ( 0.4594595 0.4594595 -0.0000000), wk = 0.0024752 k( 116) = ( 0.4527027 0.4527027 -0.0000000), wk = 0.0024752 k( 117) = ( 0.4459459 0.4459459 -0.0000000), wk = 0.0024752 k( 118) = ( 0.4391892 0.4391892 -0.0000000), wk = 0.0024752 k( 119) = ( 0.4324324 0.4324324 -0.0000000), wk = 0.0024752 k( 120) = ( 0.4256757 0.4256757 -0.0000000), wk = 0.0024752 k( 121) = ( 0.4189189 0.4189189 -0.0000000), wk = 0.0024752 k( 122) = ( 0.4121622 0.4121622 -0.0000000), wk = 0.0024752 k( 123) = ( 0.4054054 0.4054054 -0.0000000), wk = 0.0024752 k( 124) = ( 0.3986486 0.3986486 -0.0000000), wk = 0.0024752 k( 125) = ( 0.3918919 0.3918919 -0.0000000), wk = 0.0024752 k( 126) = ( 0.3851351 0.3851351 -0.0000000), wk = 0.0024752 k( 127) = ( 0.3783784 0.3783784 -0.0000000), wk = 0.0024752 k( 128) = ( 0.3716216 0.3716216 -0.0000000), wk = 0.0024752 k( 129) = ( 0.3648649 0.3648649 -0.0000000), wk = 0.0024752 k( 130) = ( 0.3581081 0.3581081 -0.0000000), wk = 0.0024752 k( 131) = ( 0.3513514 0.3513513 -0.0000000), wk = 0.0024752 k( 132) = ( 0.3445946 0.3445946 -0.0000000), wk = 0.0024752 k( 133) = ( 0.3378378 0.3378378 -0.0000000), wk = 0.0024752 k( 134) = ( 0.3310811 0.3310811 -0.0000000), wk = 0.0024752 k( 135) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0024752 k( 136) = ( 0.3175676 0.3175676 -0.0000000), wk = 0.0024752 k( 137) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0024752 k( 138) = ( 0.3040541 0.3040540 -0.0000000), wk = 0.0024752 k( 139) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0024752 k( 140) = ( 0.2905405 0.2905405 -0.0000000), wk = 0.0024752 k( 141) = ( 0.2837838 0.2837838 -0.0000000), wk = 0.0024752 k( 142) = ( 0.2770270 0.2770270 -0.0000000), wk = 0.0024752 k( 143) = ( 0.2702703 0.2702703 -0.0000000), wk = 0.0024752 k( 144) = ( 0.2635135 0.2635135 -0.0000000), wk = 0.0024752 k( 145) = ( 0.2567568 0.2567568 -0.0000000), wk = 0.0024752 k( 146) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024752 k( 147) = ( 0.2432432 0.2432432 -0.0000000), wk = 0.0024752 k( 148) = ( 0.2364865 0.2364865 -0.0000000), wk = 0.0024752 k( 149) = ( 0.2297297 0.2297297 -0.0000000), wk = 0.0024752 k( 150) = ( 0.2229730 0.2229730 -0.0000000), wk = 0.0024752 k( 151) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0024752 k( 152) = ( 0.2094595 0.2094595 -0.0000000), wk = 0.0024752 k( 153) = ( 0.2027027 0.2027027 -0.0000000), wk = 0.0024752 k( 154) = ( 0.1959460 0.1959459 -0.0000000), wk = 0.0024752 k( 155) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0024752 k( 156) = ( 0.1824324 0.1824324 -0.0000000), wk = 0.0024752 k( 157) = ( 0.1756757 0.1756757 -0.0000000), wk = 0.0024752 k( 158) = ( 0.1689189 0.1689189 -0.0000000), wk = 0.0024752 k( 159) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0024752 k( 160) = ( 0.1554054 0.1554054 -0.0000000), wk = 0.0024752 k( 161) = ( 0.1486486 0.1486486 -0.0000000), wk = 0.0024752 k( 162) = ( 0.1418919 0.1418919 -0.0000000), wk = 0.0024752 k( 163) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0024752 k( 164) = ( 0.1283784 0.1283784 -0.0000000), wk = 0.0024752 k( 165) = ( 0.1216216 0.1216216 -0.0000000), wk = 0.0024752 k( 166) = ( 0.1148649 0.1148649 -0.0000000), wk = 0.0024752 k( 167) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0024752 k( 168) = ( 0.1013514 0.1013513 -0.0000000), wk = 0.0024752 k( 169) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0024752 k( 170) = ( 0.0878378 0.0878378 -0.0000000), wk = 0.0024752 k( 171) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0024752 k( 172) = ( 0.0743243 0.0743243 -0.0000000), wk = 0.0024752 k( 173) = ( 0.0675676 0.0675676 -0.0000000), wk = 0.0024752 k( 174) = ( 0.0608108 0.0608108 -0.0000000), wk = 0.0024752 k( 175) = ( 0.0540540 0.0540540 -0.0000000), wk = 0.0024752 k( 176) = ( 0.0472973 0.0472973 -0.0000000), wk = 0.0024752 k( 177) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0024752 k( 178) = ( 0.0337838 0.0337838 -0.0000000), wk = 0.0024752 k( 179) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0024752 k( 180) = ( 0.0202703 0.0202703 -0.0000000), wk = 0.0024752 k( 181) = ( 0.0135135 0.0135135 -0.0000000), wk = 0.0024752 k( 182) = ( 0.0067568 0.0067568 -0.0000000), wk = 0.0024752 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 185) = ( 0.0054945 0.0054945 0.0054945), wk = 0.0024752 k( 186) = ( 0.0109890 0.0109890 0.0109890), wk = 0.0024752 k( 187) = ( 0.0164835 0.0164835 0.0164835), wk = 0.0024752 k( 188) = ( 0.0219780 0.0219780 0.0219780), wk = 0.0024752 k( 189) = ( 0.0274725 0.0274725 0.0274725), wk = 0.0024752 k( 190) = ( 0.0329670 0.0329670 0.0329670), wk = 0.0024752 k( 191) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0024752 k( 192) = ( 0.0439560 0.0439560 0.0439560), wk = 0.0024752 k( 193) = ( 0.0494506 0.0494505 0.0494505), wk = 0.0024752 k( 194) = ( 0.0549451 0.0549450 0.0549450), wk = 0.0024752 k( 195) = ( 0.0604396 0.0604396 0.0604396), wk = 0.0024752 k( 196) = ( 0.0659341 0.0659341 0.0659341), wk = 0.0024752 k( 197) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0024752 k( 198) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0024752 k( 199) = ( 0.0824176 0.0824176 0.0824176), wk = 0.0024752 k( 200) = ( 0.0879121 0.0879121 0.0879121), wk = 0.0024752 k( 201) = ( 0.0934066 0.0934066 0.0934066), wk = 0.0024752 k( 202) = ( 0.0989011 0.0989011 0.0989011), wk = 0.0024752 k( 203) = ( 0.1043956 0.1043956 0.1043956), wk = 0.0024752 k( 204) = ( 0.1098901 0.1098901 0.1098901), wk = 0.0024752 k( 205) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0024752 k( 206) = ( 0.1208791 0.1208791 0.1208791), wk = 0.0024752 k( 207) = ( 0.1263736 0.1263736 0.1263736), wk = 0.0024752 k( 208) = ( 0.1318681 0.1318681 0.1318681), wk = 0.0024752 k( 209) = ( 0.1373626 0.1373626 0.1373626), wk = 0.0024752 k( 210) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0024752 k( 211) = ( 0.1483517 0.1483516 0.1483516), wk = 0.0024752 k( 212) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0024752 k( 213) = ( 0.1593407 0.1593407 0.1593407), wk = 0.0024752 k( 214) = ( 0.1648352 0.1648352 0.1648352), wk = 0.0024752 k( 215) = ( 0.1703297 0.1703297 0.1703297), wk = 0.0024752 k( 216) = ( 0.1758242 0.1758242 0.1758242), wk = 0.0024752 k( 217) = ( 0.1813187 0.1813187 0.1813187), wk = 0.0024752 k( 218) = ( 0.1868132 0.1868132 0.1868132), wk = 0.0024752 k( 219) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0024752 k( 220) = ( 0.1978022 0.1978022 0.1978022), wk = 0.0024752 k( 221) = ( 0.2032967 0.2032967 0.2032967), wk = 0.0024752 k( 222) = ( 0.2087912 0.2087912 0.2087912), wk = 0.0024752 k( 223) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0024752 k( 224) = ( 0.2197802 0.2197802 0.2197802), wk = 0.0024752 k( 225) = ( 0.2252747 0.2252747 0.2252747), wk = 0.0024752 k( 226) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0024752 k( 227) = ( 0.2362637 0.2362637 0.2362637), wk = 0.0024752 k( 228) = ( 0.2417582 0.2417582 0.2417582), wk = 0.0024752 k( 229) = ( 0.2472527 0.2472527 0.2472527), wk = 0.0024752 k( 230) = ( 0.2527472 0.2527472 0.2527472), wk = 0.0024752 k( 231) = ( 0.2582418 0.2582418 0.2582418), wk = 0.0024752 k( 232) = ( 0.2637363 0.2637363 0.2637363), wk = 0.0024752 k( 233) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0024752 k( 234) = ( 0.2747253 0.2747253 0.2747253), wk = 0.0024752 k( 235) = ( 0.2802198 0.2802198 0.2802198), wk = 0.0024752 k( 236) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0024752 k( 237) = ( 0.2912088 0.2912088 0.2912088), wk = 0.0024752 k( 238) = ( 0.2967033 0.2967033 0.2967033), wk = 0.0024752 k( 239) = ( 0.3021978 0.3021978 0.3021978), wk = 0.0024752 k( 240) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0024752 k( 241) = ( 0.3131868 0.3131868 0.3131868), wk = 0.0024752 k( 242) = ( 0.3186813 0.3186813 0.3186813), wk = 0.0024752 k( 243) = ( 0.3241758 0.3241758 0.3241758), wk = 0.0024752 k( 244) = ( 0.3296703 0.3296703 0.3296703), wk = 0.0024752 k( 245) = ( 0.3351648 0.3351648 0.3351648), wk = 0.0024752 k( 246) = ( 0.3406593 0.3406593 0.3406593), wk = 0.0024752 k( 247) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0024752 k( 248) = ( 0.3516483 0.3516483 0.3516483), wk = 0.0024752 k( 249) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0024752 k( 250) = ( 0.3626374 0.3626374 0.3626374), wk = 0.0024752 k( 251) = ( 0.3681319 0.3681319 0.3681319), wk = 0.0024752 k( 252) = ( 0.3736264 0.3736264 0.3736264), wk = 0.0024752 k( 253) = ( 0.3791209 0.3791209 0.3791209), wk = 0.0024752 k( 254) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0024752 k( 255) = ( 0.3901099 0.3901099 0.3901099), wk = 0.0024752 k( 256) = ( 0.3956044 0.3956044 0.3956044), wk = 0.0024752 k( 257) = ( 0.4010989 0.4010989 0.4010989), wk = 0.0024752 k( 258) = ( 0.4065934 0.4065934 0.4065934), wk = 0.0024752 k( 259) = ( 0.4120879 0.4120879 0.4120879), wk = 0.0024752 k( 260) = ( 0.4175824 0.4175824 0.4175824), wk = 0.0024752 k( 261) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0024752 k( 262) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0024752 k( 263) = ( 0.4340659 0.4340659 0.4340659), wk = 0.0024752 k( 264) = ( 0.4395604 0.4395604 0.4395604), wk = 0.0024752 k( 265) = ( 0.4450550 0.4450549 0.4450549), wk = 0.0024752 k( 266) = ( 0.4505495 0.4505494 0.4505494), wk = 0.0024752 k( 267) = ( 0.4560440 0.4560440 0.4560440), wk = 0.0024752 k( 268) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0024752 k( 269) = ( 0.4670330 0.4670330 0.4670330), wk = 0.0024752 k( 270) = ( 0.4725275 0.4725275 0.4725275), wk = 0.0024752 k( 271) = ( 0.4780220 0.4780220 0.4780220), wk = 0.0024752 k( 272) = ( 0.4835165 0.4835165 0.4835165), wk = 0.0024752 k( 273) = ( 0.4890110 0.4890110 0.4890110), wk = 0.0024752 k( 274) = ( 0.4945055 0.4945055 0.4945055), wk = 0.0024752 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 277) = ( 0.4932432 0.5000000 0.4932432), wk = 0.0024752 k( 278) = ( 0.4864865 0.5000000 0.4864865), wk = 0.0024752 k( 279) = ( 0.4797297 0.5000000 0.4797297), wk = 0.0024752 k( 280) = ( 0.4729730 0.5000000 0.4729730), wk = 0.0024752 k( 281) = ( 0.4662162 0.5000000 0.4662162), wk = 0.0024752 k( 282) = ( 0.4594595 0.5000000 0.4594595), wk = 0.0024752 k( 283) = ( 0.4527027 0.5000000 0.4527027), wk = 0.0024752 k( 284) = ( 0.4459459 0.5000000 0.4459459), wk = 0.0024752 k( 285) = ( 0.4391892 0.5000000 0.4391892), wk = 0.0024752 k( 286) = ( 0.4324324 0.5000000 0.4324324), wk = 0.0024752 k( 287) = ( 0.4256757 0.5000000 0.4256757), wk = 0.0024752 k( 288) = ( 0.4189189 0.5000000 0.4189189), wk = 0.0024752 k( 289) = ( 0.4121622 0.5000000 0.4121622), wk = 0.0024752 k( 290) = ( 0.4054054 0.5000000 0.4054054), wk = 0.0024752 k( 291) = ( 0.3986486 0.5000000 0.3986486), wk = 0.0024752 k( 292) = ( 0.3918919 0.5000000 0.3918919), wk = 0.0024752 k( 293) = ( 0.3851351 0.5000000 0.3851351), wk = 0.0024752 k( 294) = ( 0.3783784 0.5000000 0.3783784), wk = 0.0024752 k( 295) = ( 0.3716216 0.5000000 0.3716216), wk = 0.0024752 k( 296) = ( 0.3648649 0.5000000 0.3648649), wk = 0.0024752 k( 297) = ( 0.3581081 0.5000000 0.3581081), wk = 0.0024752 k( 298) = ( 0.3513514 0.5000000 0.3513513), wk = 0.0024752 k( 299) = ( 0.3445946 0.5000000 0.3445946), wk = 0.0024752 k( 300) = ( 0.3378378 0.5000000 0.3378378), wk = 0.0024752 k( 301) = ( 0.3310811 0.5000000 0.3310811), wk = 0.0024752 k( 302) = ( 0.3243243 0.5000000 0.3243243), wk = 0.0024752 k( 303) = ( 0.3175676 0.5000000 0.3175676), wk = 0.0024752 k( 304) = ( 0.3108108 0.5000000 0.3108108), wk = 0.0024752 k( 305) = ( 0.3040541 0.5000000 0.3040540), wk = 0.0024752 k( 306) = ( 0.2972973 0.5000000 0.2972973), wk = 0.0024752 k( 307) = ( 0.2905405 0.5000000 0.2905405), wk = 0.0024752 k( 308) = ( 0.2837838 0.5000000 0.2837838), wk = 0.0024752 k( 309) = ( 0.2770270 0.5000000 0.2770270), wk = 0.0024752 k( 310) = ( 0.2702703 0.5000000 0.2702703), wk = 0.0024752 k( 311) = ( 0.2635135 0.5000000 0.2635135), wk = 0.0024752 k( 312) = ( 0.2567568 0.5000000 0.2567568), wk = 0.0024752 k( 313) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0024752 k( 314) = ( 0.2432432 0.5000000 0.2432432), wk = 0.0024752 k( 315) = ( 0.2364865 0.5000000 0.2364865), wk = 0.0024752 k( 316) = ( 0.2297297 0.5000000 0.2297297), wk = 0.0024752 k( 317) = ( 0.2229730 0.5000000 0.2229730), wk = 0.0024752 k( 318) = ( 0.2162162 0.5000000 0.2162162), wk = 0.0024752 k( 319) = ( 0.2094595 0.5000000 0.2094595), wk = 0.0024752 k( 320) = ( 0.2027027 0.5000000 0.2027027), wk = 0.0024752 k( 321) = ( 0.1959460 0.5000000 0.1959459), wk = 0.0024752 k( 322) = ( 0.1891892 0.5000000 0.1891892), wk = 0.0024752 k( 323) = ( 0.1824324 0.5000000 0.1824324), wk = 0.0024752 k( 324) = ( 0.1756757 0.5000000 0.1756757), wk = 0.0024752 k( 325) = ( 0.1689189 0.5000000 0.1689189), wk = 0.0024752 k( 326) = ( 0.1621622 0.5000000 0.1621622), wk = 0.0024752 k( 327) = ( 0.1554054 0.5000000 0.1554054), wk = 0.0024752 k( 328) = ( 0.1486486 0.5000000 0.1486486), wk = 0.0024752 k( 329) = ( 0.1418919 0.5000000 0.1418919), wk = 0.0024752 k( 330) = ( 0.1351351 0.5000000 0.1351351), wk = 0.0024752 k( 331) = ( 0.1283784 0.5000000 0.1283784), wk = 0.0024752 k( 332) = ( 0.1216216 0.5000000 0.1216216), wk = 0.0024752 k( 333) = ( 0.1148649 0.5000000 0.1148649), wk = 0.0024752 k( 334) = ( 0.1081081 0.5000000 0.1081081), wk = 0.0024752 k( 335) = ( 0.1013514 0.5000000 0.1013513), wk = 0.0024752 k( 336) = ( 0.0945946 0.5000000 0.0945946), wk = 0.0024752 k( 337) = ( 0.0878378 0.5000000 0.0878378), wk = 0.0024752 k( 338) = ( 0.0810811 0.5000000 0.0810811), wk = 0.0024752 k( 339) = ( 0.0743243 0.5000000 0.0743243), wk = 0.0024752 k( 340) = ( 0.0675676 0.5000000 0.0675676), wk = 0.0024752 k( 341) = ( 0.0608108 0.5000000 0.0608108), wk = 0.0024752 k( 342) = ( 0.0540540 0.5000000 0.0540540), wk = 0.0024752 k( 343) = ( 0.0472973 0.5000000 0.0472973), wk = 0.0024752 k( 344) = ( 0.0405405 0.5000000 0.0405405), wk = 0.0024752 k( 345) = ( 0.0337838 0.5000000 0.0337838), wk = 0.0024752 k( 346) = ( 0.0270270 0.5000000 0.0270270), wk = 0.0024752 k( 347) = ( 0.0202703 0.5000000 0.0202703), wk = 0.0024752 k( 348) = ( 0.0135135 0.5000000 0.0135135), wk = 0.0024752 k( 349) = ( 0.0067568 0.5000000 0.0067568), wk = 0.0024752 k( 350) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024752 k( 351) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024752 k( 352) = ( 0.5000000 0.5000000 0.0094340), wk = 0.0024752 k( 353) = ( 0.5000000 0.5000000 0.0188679), wk = 0.0024752 k( 354) = ( 0.5000000 0.5000000 0.0283019), wk = 0.0024752 k( 355) = ( 0.5000000 0.5000000 0.0377358), wk = 0.0024752 k( 356) = ( 0.5000000 0.5000000 0.0471698), wk = 0.0024752 k( 357) = ( 0.5000000 0.5000000 0.0566038), wk = 0.0024752 k( 358) = ( 0.5000000 0.5000000 0.0660377), wk = 0.0024752 k( 359) = ( 0.5000000 0.5000000 0.0754717), wk = 0.0024752 k( 360) = ( 0.5000000 0.5000000 0.0849057), wk = 0.0024752 k( 361) = ( 0.5000000 0.5000000 0.0943396), wk = 0.0024752 k( 362) = ( 0.5000000 0.5000000 0.1037736), wk = 0.0024752 k( 363) = ( 0.5000000 0.5000000 0.1132075), wk = 0.0024752 k( 364) = ( 0.5000000 0.5000000 0.1226415), wk = 0.0024752 k( 365) = ( 0.5000000 0.5000000 0.1320755), wk = 0.0024752 k( 366) = ( 0.5000000 0.5000000 0.1415094), wk = 0.0024752 k( 367) = ( 0.5000000 0.5000000 0.1509434), wk = 0.0024752 k( 368) = ( 0.5000000 0.5000000 0.1603774), wk = 0.0024752 k( 369) = ( 0.5000000 0.5000000 0.1698113), wk = 0.0024752 k( 370) = ( 0.5000000 0.5000000 0.1792453), wk = 0.0024752 k( 371) = ( 0.5000000 0.5000000 0.1886792), wk = 0.0024752 k( 372) = ( 0.5000000 0.5000000 0.1981132), wk = 0.0024752 k( 373) = ( 0.5000000 0.5000000 0.2075472), wk = 0.0024752 k( 374) = ( 0.5000000 0.5000000 0.2169811), wk = 0.0024752 k( 375) = ( 0.5000000 0.5000000 0.2264151), wk = 0.0024752 k( 376) = ( 0.5000000 0.5000000 0.2358491), wk = 0.0024752 k( 377) = ( 0.5000000 0.5000000 0.2452830), wk = 0.0024752 k( 378) = ( 0.5000000 0.5000000 0.2547170), wk = 0.0024752 k( 379) = ( 0.5000000 0.5000000 0.2641509), wk = 0.0024752 k( 380) = ( 0.5000000 0.5000000 0.2735849), wk = 0.0024752 k( 381) = ( 0.5000000 0.5000000 0.2830189), wk = 0.0024752 k( 382) = ( 0.5000000 0.5000000 0.2924528), wk = 0.0024752 k( 383) = ( 0.5000000 0.5000000 0.3018868), wk = 0.0024752 k( 384) = ( 0.5000000 0.5000000 0.3113207), wk = 0.0024752 k( 385) = ( 0.5000000 0.5000000 0.3207547), wk = 0.0024752 k( 386) = ( 0.5000000 0.5000000 0.3301887), wk = 0.0024752 k( 387) = ( 0.5000000 0.5000000 0.3396226), wk = 0.0024752 k( 388) = ( 0.5000000 0.5000000 0.3490566), wk = 0.0024752 k( 389) = ( 0.5000000 0.5000000 0.3584906), wk = 0.0024752 k( 390) = ( 0.5000000 0.5000000 0.3679245), wk = 0.0024752 k( 391) = ( 0.5000000 0.5000000 0.3773585), wk = 0.0024752 k( 392) = ( 0.5000000 0.5000000 0.3867924), wk = 0.0024752 k( 393) = ( 0.5000000 0.5000000 0.3962264), wk = 0.0024752 k( 394) = ( 0.5000000 0.5000000 0.4056604), wk = 0.0024752 k( 395) = ( 0.5000000 0.5000000 0.4150943), wk = 0.0024752 k( 396) = ( 0.5000000 0.5000000 0.4245283), wk = 0.0024752 k( 397) = ( 0.5000000 0.5000000 0.4339623), wk = 0.0024752 k( 398) = ( 0.5000000 0.5000000 0.4433962), wk = 0.0024752 k( 399) = ( 0.5000000 0.5000000 0.4528302), wk = 0.0024752 k( 400) = ( 0.5000000 0.5000000 0.4622641), wk = 0.0024752 k( 401) = ( 0.5000000 0.5000000 0.4716981), wk = 0.0024752 k( 402) = ( 0.5000000 0.5000000 0.4811321), wk = 0.0024752 k( 403) = ( 0.5000000 0.5000000 0.4905660), wk = 0.0024752 k( 404) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0000000 0.0094340 0.0000000), wk = 0.0024752 k( 3) = ( 0.0000000 0.0188679 0.0000000), wk = 0.0024752 k( 4) = ( 0.0000000 0.0283019 0.0000000), wk = 0.0024752 k( 5) = ( 0.0000000 0.0377359 0.0000000), wk = 0.0024752 k( 6) = ( 0.0000000 0.0471698 0.0000000), wk = 0.0024752 k( 7) = ( 0.0000000 0.0566038 0.0000000), wk = 0.0024752 k( 8) = ( 0.0000000 0.0660377 0.0000000), wk = 0.0024752 k( 9) = ( 0.0000000 0.0754717 0.0000000), wk = 0.0024752 k( 10) = ( 0.0000000 0.0849057 0.0000000), wk = 0.0024752 k( 11) = ( 0.0000000 0.0943396 0.0000000), wk = 0.0024752 k( 12) = ( 0.0000000 0.1037736 0.0000000), wk = 0.0024752 k( 13) = ( 0.0000000 0.1132076 0.0000000), wk = 0.0024752 k( 14) = ( 0.0000000 0.1226415 0.0000000), wk = 0.0024752 k( 15) = ( 0.0000000 0.1320755 0.0000000), wk = 0.0024752 k( 16) = ( 0.0000000 0.1415094 0.0000000), wk = 0.0024752 k( 17) = ( 0.0000000 0.1509434 0.0000000), wk = 0.0024752 k( 18) = ( 0.0000000 0.1603774 0.0000000), wk = 0.0024752 k( 19) = ( 0.0000000 0.1698113 0.0000000), wk = 0.0024752 k( 20) = ( 0.0000000 0.1792453 0.0000000), wk = 0.0024752 k( 21) = ( 0.0000000 0.1886792 0.0000000), wk = 0.0024752 k( 22) = ( 0.0000000 0.1981132 0.0000000), wk = 0.0024752 k( 23) = ( 0.0000000 0.2075472 0.0000000), wk = 0.0024752 k( 24) = ( 0.0000000 0.2169811 0.0000000), wk = 0.0024752 k( 25) = ( 0.0000000 0.2264151 0.0000000), wk = 0.0024752 k( 26) = ( 0.0000000 0.2358491 0.0000000), wk = 0.0024752 k( 27) = ( 0.0000000 0.2452830 0.0000000), wk = 0.0024752 k( 28) = ( 0.0000000 0.2547170 0.0000000), wk = 0.0024752 k( 29) = ( 0.0000000 0.2641509 0.0000000), wk = 0.0024752 k( 30) = ( 0.0000000 0.2735849 0.0000000), wk = 0.0024752 k( 31) = ( 0.0000000 0.2830189 0.0000000), wk = 0.0024752 k( 32) = ( 0.0000000 0.2924528 0.0000000), wk = 0.0024752 k( 33) = ( 0.0000000 0.3018868 0.0000000), wk = 0.0024752 k( 34) = ( 0.0000000 0.3113207 0.0000000), wk = 0.0024752 k( 35) = ( 0.0000000 0.3207547 0.0000000), wk = 0.0024752 k( 36) = ( 0.0000000 0.3301887 0.0000000), wk = 0.0024752 k( 37) = ( 0.0000000 0.3396226 0.0000000), wk = 0.0024752 k( 38) = ( 0.0000000 0.3490566 0.0000000), wk = 0.0024752 k( 39) = ( 0.0000000 0.3584906 0.0000000), wk = 0.0024752 k( 40) = ( 0.0000000 0.3679245 0.0000000), wk = 0.0024752 k( 41) = ( 0.0000000 0.3773585 0.0000000), wk = 0.0024752 k( 42) = ( 0.0000000 0.3867925 0.0000000), wk = 0.0024752 k( 43) = ( 0.0000000 0.3962264 0.0000000), wk = 0.0024752 k( 44) = ( 0.0000000 0.4056604 0.0000000), wk = 0.0024752 k( 45) = ( 0.0000000 0.4150943 0.0000000), wk = 0.0024752 k( 46) = ( 0.0000000 0.4245283 0.0000000), wk = 0.0024752 k( 47) = ( 0.0000000 0.4339623 0.0000000), wk = 0.0024752 k( 48) = ( 0.0000000 0.4433962 0.0000000), wk = 0.0024752 k( 49) = ( 0.0000000 0.4528302 0.0000000), wk = 0.0024752 k( 50) = ( 0.0000000 0.4622641 0.0000000), wk = 0.0024752 k( 51) = ( 0.0000000 0.4716981 0.0000000), wk = 0.0024752 k( 52) = ( 0.0000000 0.4811321 0.0000000), wk = 0.0024752 k( 53) = ( 0.0000000 0.4905660 0.0000000), wk = 0.0024752 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024752 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024752 k( 56) = ( 0.0094340 0.5000000 0.0000000), wk = 0.0024752 k( 57) = ( 0.0188679 0.5000000 0.0000000), wk = 0.0024752 k( 58) = ( 0.0283019 0.5000000 0.0000000), wk = 0.0024752 k( 59) = ( 0.0377359 0.5000000 0.0000000), wk = 0.0024752 k( 60) = ( 0.0471698 0.5000000 0.0000000), wk = 0.0024752 k( 61) = ( 0.0566038 0.5000000 0.0000000), wk = 0.0024752 k( 62) = ( 0.0660377 0.5000000 0.0000000), wk = 0.0024752 k( 63) = ( 0.0754717 0.5000000 0.0000000), wk = 0.0024752 k( 64) = ( 0.0849057 0.5000000 0.0000000), wk = 0.0024752 k( 65) = ( 0.0943396 0.5000000 0.0000000), wk = 0.0024752 k( 66) = ( 0.1037736 0.5000000 0.0000000), wk = 0.0024752 k( 67) = ( 0.1132076 0.5000000 0.0000000), wk = 0.0024752 k( 68) = ( 0.1226415 0.5000000 0.0000000), wk = 0.0024752 k( 69) = ( 0.1320755 0.5000000 0.0000000), wk = 0.0024752 k( 70) = ( 0.1415094 0.5000000 0.0000000), wk = 0.0024752 k( 71) = ( 0.1509434 0.5000000 0.0000000), wk = 0.0024752 k( 72) = ( 0.1603774 0.5000000 0.0000000), wk = 0.0024752 k( 73) = ( 0.1698113 0.5000000 0.0000000), wk = 0.0024752 k( 74) = ( 0.1792453 0.5000000 0.0000000), wk = 0.0024752 k( 75) = ( 0.1886792 0.5000000 0.0000000), wk = 0.0024752 k( 76) = ( 0.1981132 0.5000000 0.0000000), wk = 0.0024752 k( 77) = ( 0.2075472 0.5000000 0.0000000), wk = 0.0024752 k( 78) = ( 0.2169811 0.5000000 0.0000000), wk = 0.0024752 k( 79) = ( 0.2264151 0.5000000 0.0000000), wk = 0.0024752 k( 80) = ( 0.2358491 0.5000000 0.0000000), wk = 0.0024752 k( 81) = ( 0.2452830 0.5000000 0.0000000), wk = 0.0024752 k( 82) = ( 0.2547170 0.5000000 0.0000000), wk = 0.0024752 k( 83) = ( 0.2641509 0.5000000 0.0000000), wk = 0.0024752 k( 84) = ( 0.2735849 0.5000000 0.0000000), wk = 0.0024752 k( 85) = ( 0.2830189 0.5000000 0.0000000), wk = 0.0024752 k( 86) = ( 0.2924528 0.5000000 0.0000000), wk = 0.0024752 k( 87) = ( 0.3018868 0.5000000 0.0000000), wk = 0.0024752 k( 88) = ( 0.3113207 0.5000000 0.0000000), wk = 0.0024752 k( 89) = ( 0.3207547 0.5000000 0.0000000), wk = 0.0024752 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0024752 k( 91) = ( 0.3396226 0.5000000 0.0000000), wk = 0.0024752 k( 92) = ( 0.3490566 0.5000000 0.0000000), wk = 0.0024752 k( 93) = ( 0.3584906 0.5000000 0.0000000), wk = 0.0024752 k( 94) = ( 0.3679245 0.5000000 0.0000000), wk = 0.0024752 k( 95) = ( 0.3773585 0.5000000 0.0000000), wk = 0.0024752 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0024752 k( 97) = ( 0.3962264 0.5000000 0.0000000), wk = 0.0024752 k( 98) = ( 0.4056604 0.5000000 0.0000000), wk = 0.0024752 k( 99) = ( 0.4150943 0.5000000 0.0000000), wk = 0.0024752 k( 100) = ( 0.4245283 0.5000000 0.0000000), wk = 0.0024752 k( 101) = ( 0.4339623 0.5000000 0.0000000), wk = 0.0024752 k( 102) = ( 0.4433962 0.5000000 0.0000000), wk = 0.0024752 k( 103) = ( 0.4528302 0.5000000 0.0000000), wk = 0.0024752 k( 104) = ( 0.4622641 0.5000000 0.0000000), wk = 0.0024752 k( 105) = ( 0.4716981 0.5000000 0.0000000), wk = 0.0024752 k( 106) = ( 0.4811321 0.5000000 0.0000000), wk = 0.0024752 k( 107) = ( 0.4905660 0.5000000 0.0000000), wk = 0.0024752 k( 108) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 109) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 110) = ( 0.4932432 0.4932432 0.0000000), wk = 0.0024752 k( 111) = ( 0.4864865 0.4864865 0.0000000), wk = 0.0024752 k( 112) = ( 0.4797297 0.4797297 0.0000000), wk = 0.0024752 k( 113) = ( 0.4729730 0.4729730 0.0000000), wk = 0.0024752 k( 114) = ( 0.4662162 0.4662162 0.0000000), wk = 0.0024752 k( 115) = ( 0.4594595 0.4594595 0.0000000), wk = 0.0024752 k( 116) = ( 0.4527027 0.4527027 0.0000000), wk = 0.0024752 k( 117) = ( 0.4459459 0.4459459 0.0000000), wk = 0.0024752 k( 118) = ( 0.4391892 0.4391892 0.0000000), wk = 0.0024752 k( 119) = ( 0.4324324 0.4324324 0.0000000), wk = 0.0024752 k( 120) = ( 0.4256757 0.4256757 0.0000000), wk = 0.0024752 k( 121) = ( 0.4189189 0.4189189 0.0000000), wk = 0.0024752 k( 122) = ( 0.4121622 0.4121622 0.0000000), wk = 0.0024752 k( 123) = ( 0.4054054 0.4054054 0.0000000), wk = 0.0024752 k( 124) = ( 0.3986486 0.3986486 0.0000000), wk = 0.0024752 k( 125) = ( 0.3918919 0.3918919 0.0000000), wk = 0.0024752 k( 126) = ( 0.3851351 0.3851351 0.0000000), wk = 0.0024752 k( 127) = ( 0.3783784 0.3783784 0.0000000), wk = 0.0024752 k( 128) = ( 0.3716216 0.3716216 0.0000000), wk = 0.0024752 k( 129) = ( 0.3648649 0.3648649 0.0000000), wk = 0.0024752 k( 130) = ( 0.3581081 0.3581081 0.0000000), wk = 0.0024752 k( 131) = ( 0.3513514 0.3513514 0.0000000), wk = 0.0024752 k( 132) = ( 0.3445946 0.3445946 0.0000000), wk = 0.0024752 k( 133) = ( 0.3378378 0.3378378 0.0000000), wk = 0.0024752 k( 134) = ( 0.3310811 0.3310811 0.0000000), wk = 0.0024752 k( 135) = ( 0.3243243 0.3243243 0.0000000), wk = 0.0024752 k( 136) = ( 0.3175676 0.3175676 0.0000000), wk = 0.0024752 k( 137) = ( 0.3108108 0.3108108 0.0000000), wk = 0.0024752 k( 138) = ( 0.3040541 0.3040541 0.0000000), wk = 0.0024752 k( 139) = ( 0.2972973 0.2972973 0.0000000), wk = 0.0024752 k( 140) = ( 0.2905405 0.2905405 0.0000000), wk = 0.0024752 k( 141) = ( 0.2837838 0.2837838 0.0000000), wk = 0.0024752 k( 142) = ( 0.2770270 0.2770270 0.0000000), wk = 0.0024752 k( 143) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0024752 k( 144) = ( 0.2635135 0.2635135 0.0000000), wk = 0.0024752 k( 145) = ( 0.2567568 0.2567568 0.0000000), wk = 0.0024752 k( 146) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0024752 k( 147) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0024752 k( 148) = ( 0.2364865 0.2364865 0.0000000), wk = 0.0024752 k( 149) = ( 0.2297297 0.2297297 0.0000000), wk = 0.0024752 k( 150) = ( 0.2229730 0.2229730 0.0000000), wk = 0.0024752 k( 151) = ( 0.2162162 0.2162162 0.0000000), wk = 0.0024752 k( 152) = ( 0.2094595 0.2094595 0.0000000), wk = 0.0024752 k( 153) = ( 0.2027027 0.2027027 0.0000000), wk = 0.0024752 k( 154) = ( 0.1959460 0.1959460 0.0000000), wk = 0.0024752 k( 155) = ( 0.1891892 0.1891892 0.0000000), wk = 0.0024752 k( 156) = ( 0.1824324 0.1824324 0.0000000), wk = 0.0024752 k( 157) = ( 0.1756757 0.1756757 0.0000000), wk = 0.0024752 k( 158) = ( 0.1689189 0.1689189 0.0000000), wk = 0.0024752 k( 159) = ( 0.1621622 0.1621622 0.0000000), wk = 0.0024752 k( 160) = ( 0.1554054 0.1554054 0.0000000), wk = 0.0024752 k( 161) = ( 0.1486486 0.1486486 0.0000000), wk = 0.0024752 k( 162) = ( 0.1418919 0.1418919 0.0000000), wk = 0.0024752 k( 163) = ( 0.1351351 0.1351351 0.0000000), wk = 0.0024752 k( 164) = ( 0.1283784 0.1283784 0.0000000), wk = 0.0024752 k( 165) = ( 0.1216216 0.1216216 0.0000000), wk = 0.0024752 k( 166) = ( 0.1148649 0.1148649 0.0000000), wk = 0.0024752 k( 167) = ( 0.1081081 0.1081081 0.0000000), wk = 0.0024752 k( 168) = ( 0.1013514 0.1013514 0.0000000), wk = 0.0024752 k( 169) = ( 0.0945946 0.0945946 0.0000000), wk = 0.0024752 k( 170) = ( 0.0878378 0.0878378 0.0000000), wk = 0.0024752 k( 171) = ( 0.0810811 0.0810811 0.0000000), wk = 0.0024752 k( 172) = ( 0.0743243 0.0743243 0.0000000), wk = 0.0024752 k( 173) = ( 0.0675676 0.0675676 0.0000000), wk = 0.0024752 k( 174) = ( 0.0608108 0.0608108 0.0000000), wk = 0.0024752 k( 175) = ( 0.0540540 0.0540540 0.0000000), wk = 0.0024752 k( 176) = ( 0.0472973 0.0472973 0.0000000), wk = 0.0024752 k( 177) = ( 0.0405405 0.0405405 0.0000000), wk = 0.0024752 k( 178) = ( 0.0337838 0.0337838 0.0000000), wk = 0.0024752 k( 179) = ( 0.0270270 0.0270270 0.0000000), wk = 0.0024752 k( 180) = ( 0.0202703 0.0202703 0.0000000), wk = 0.0024752 k( 181) = ( 0.0135135 0.0135135 0.0000000), wk = 0.0024752 k( 182) = ( 0.0067568 0.0067568 0.0000000), wk = 0.0024752 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 185) = ( 0.0054945 0.0054945 0.0054945), wk = 0.0024752 k( 186) = ( 0.0109890 0.0109890 0.0109890), wk = 0.0024752 k( 187) = ( 0.0164835 0.0164835 0.0164835), wk = 0.0024752 k( 188) = ( 0.0219780 0.0219780 0.0219780), wk = 0.0024752 k( 189) = ( 0.0274725 0.0274725 0.0274725), wk = 0.0024752 k( 190) = ( 0.0329670 0.0329670 0.0329670), wk = 0.0024752 k( 191) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0024752 k( 192) = ( 0.0439560 0.0439560 0.0439560), wk = 0.0024752 k( 193) = ( 0.0494506 0.0494506 0.0494506), wk = 0.0024752 k( 194) = ( 0.0549451 0.0549451 0.0549451), wk = 0.0024752 k( 195) = ( 0.0604396 0.0604396 0.0604396), wk = 0.0024752 k( 196) = ( 0.0659341 0.0659341 0.0659341), wk = 0.0024752 k( 197) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0024752 k( 198) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0024752 k( 199) = ( 0.0824176 0.0824176 0.0824176), wk = 0.0024752 k( 200) = ( 0.0879121 0.0879121 0.0879121), wk = 0.0024752 k( 201) = ( 0.0934066 0.0934066 0.0934066), wk = 0.0024752 k( 202) = ( 0.0989011 0.0989011 0.0989011), wk = 0.0024752 k( 203) = ( 0.1043956 0.1043956 0.1043956), wk = 0.0024752 k( 204) = ( 0.1098901 0.1098901 0.1098901), wk = 0.0024752 k( 205) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0024752 k( 206) = ( 0.1208791 0.1208791 0.1208791), wk = 0.0024752 k( 207) = ( 0.1263736 0.1263736 0.1263736), wk = 0.0024752 k( 208) = ( 0.1318681 0.1318681 0.1318681), wk = 0.0024752 k( 209) = ( 0.1373626 0.1373626 0.1373626), wk = 0.0024752 k( 210) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0024752 k( 211) = ( 0.1483517 0.1483517 0.1483517), wk = 0.0024752 k( 212) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0024752 k( 213) = ( 0.1593407 0.1593407 0.1593407), wk = 0.0024752 k( 214) = ( 0.1648352 0.1648352 0.1648352), wk = 0.0024752 k( 215) = ( 0.1703297 0.1703297 0.1703297), wk = 0.0024752 k( 216) = ( 0.1758242 0.1758242 0.1758242), wk = 0.0024752 k( 217) = ( 0.1813187 0.1813187 0.1813187), wk = 0.0024752 k( 218) = ( 0.1868132 0.1868132 0.1868132), wk = 0.0024752 k( 219) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0024752 k( 220) = ( 0.1978022 0.1978022 0.1978022), wk = 0.0024752 k( 221) = ( 0.2032967 0.2032967 0.2032967), wk = 0.0024752 k( 222) = ( 0.2087912 0.2087912 0.2087912), wk = 0.0024752 k( 223) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0024752 k( 224) = ( 0.2197802 0.2197802 0.2197802), wk = 0.0024752 k( 225) = ( 0.2252747 0.2252747 0.2252747), wk = 0.0024752 k( 226) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0024752 k( 227) = ( 0.2362637 0.2362637 0.2362637), wk = 0.0024752 k( 228) = ( 0.2417582 0.2417582 0.2417582), wk = 0.0024752 k( 229) = ( 0.2472527 0.2472527 0.2472527), wk = 0.0024752 k( 230) = ( 0.2527472 0.2527472 0.2527472), wk = 0.0024752 k( 231) = ( 0.2582418 0.2582418 0.2582418), wk = 0.0024752 k( 232) = ( 0.2637363 0.2637363 0.2637363), wk = 0.0024752 k( 233) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0024752 k( 234) = ( 0.2747253 0.2747253 0.2747253), wk = 0.0024752 k( 235) = ( 0.2802198 0.2802198 0.2802198), wk = 0.0024752 k( 236) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0024752 k( 237) = ( 0.2912088 0.2912088 0.2912088), wk = 0.0024752 k( 238) = ( 0.2967033 0.2967033 0.2967033), wk = 0.0024752 k( 239) = ( 0.3021978 0.3021978 0.3021978), wk = 0.0024752 k( 240) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0024752 k( 241) = ( 0.3131868 0.3131868 0.3131868), wk = 0.0024752 k( 242) = ( 0.3186813 0.3186813 0.3186813), wk = 0.0024752 k( 243) = ( 0.3241758 0.3241758 0.3241758), wk = 0.0024752 k( 244) = ( 0.3296703 0.3296703 0.3296703), wk = 0.0024752 k( 245) = ( 0.3351648 0.3351648 0.3351648), wk = 0.0024752 k( 246) = ( 0.3406593 0.3406593 0.3406593), wk = 0.0024752 k( 247) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0024752 k( 248) = ( 0.3516483 0.3516483 0.3516483), wk = 0.0024752 k( 249) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0024752 k( 250) = ( 0.3626374 0.3626374 0.3626374), wk = 0.0024752 k( 251) = ( 0.3681319 0.3681319 0.3681319), wk = 0.0024752 k( 252) = ( 0.3736264 0.3736264 0.3736264), wk = 0.0024752 k( 253) = ( 0.3791209 0.3791209 0.3791209), wk = 0.0024752 k( 254) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0024752 k( 255) = ( 0.3901099 0.3901099 0.3901099), wk = 0.0024752 k( 256) = ( 0.3956044 0.3956044 0.3956044), wk = 0.0024752 k( 257) = ( 0.4010989 0.4010989 0.4010989), wk = 0.0024752 k( 258) = ( 0.4065934 0.4065934 0.4065934), wk = 0.0024752 k( 259) = ( 0.4120879 0.4120879 0.4120879), wk = 0.0024752 k( 260) = ( 0.4175824 0.4175824 0.4175824), wk = 0.0024752 k( 261) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0024752 k( 262) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0024752 k( 263) = ( 0.4340659 0.4340659 0.4340659), wk = 0.0024752 k( 264) = ( 0.4395604 0.4395604 0.4395604), wk = 0.0024752 k( 265) = ( 0.4450550 0.4450550 0.4450550), wk = 0.0024752 k( 266) = ( 0.4505495 0.4505495 0.4505495), wk = 0.0024752 k( 267) = ( 0.4560440 0.4560440 0.4560440), wk = 0.0024752 k( 268) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0024752 k( 269) = ( 0.4670330 0.4670330 0.4670330), wk = 0.0024752 k( 270) = ( 0.4725275 0.4725275 0.4725275), wk = 0.0024752 k( 271) = ( 0.4780220 0.4780220 0.4780220), wk = 0.0024752 k( 272) = ( 0.4835165 0.4835165 0.4835165), wk = 0.0024752 k( 273) = ( 0.4890110 0.4890110 0.4890110), wk = 0.0024752 k( 274) = ( 0.4945055 0.4945055 0.4945055), wk = 0.0024752 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 277) = ( 0.4932432 0.5000000 0.4932432), wk = 0.0024752 k( 278) = ( 0.4864865 0.5000000 0.4864865), wk = 0.0024752 k( 279) = ( 0.4797297 0.5000000 0.4797297), wk = 0.0024752 k( 280) = ( 0.4729730 0.5000000 0.4729730), wk = 0.0024752 k( 281) = ( 0.4662162 0.5000000 0.4662162), wk = 0.0024752 k( 282) = ( 0.4594595 0.5000000 0.4594595), wk = 0.0024752 k( 283) = ( 0.4527027 0.5000000 0.4527027), wk = 0.0024752 k( 284) = ( 0.4459459 0.5000000 0.4459459), wk = 0.0024752 k( 285) = ( 0.4391892 0.5000000 0.4391892), wk = 0.0024752 k( 286) = ( 0.4324324 0.5000000 0.4324324), wk = 0.0024752 k( 287) = ( 0.4256757 0.5000000 0.4256757), wk = 0.0024752 k( 288) = ( 0.4189189 0.5000000 0.4189189), wk = 0.0024752 k( 289) = ( 0.4121622 0.5000000 0.4121622), wk = 0.0024752 k( 290) = ( 0.4054054 0.5000000 0.4054054), wk = 0.0024752 k( 291) = ( 0.3986486 0.5000000 0.3986486), wk = 0.0024752 k( 292) = ( 0.3918919 0.5000000 0.3918919), wk = 0.0024752 k( 293) = ( 0.3851351 0.5000000 0.3851351), wk = 0.0024752 k( 294) = ( 0.3783784 0.5000000 0.3783784), wk = 0.0024752 k( 295) = ( 0.3716216 0.5000000 0.3716216), wk = 0.0024752 k( 296) = ( 0.3648649 0.5000000 0.3648649), wk = 0.0024752 k( 297) = ( 0.3581081 0.5000000 0.3581081), wk = 0.0024752 k( 298) = ( 0.3513514 0.5000000 0.3513514), wk = 0.0024752 k( 299) = ( 0.3445946 0.5000000 0.3445946), wk = 0.0024752 k( 300) = ( 0.3378378 0.5000000 0.3378378), wk = 0.0024752 k( 301) = ( 0.3310811 0.5000000 0.3310811), wk = 0.0024752 k( 302) = ( 0.3243243 0.5000000 0.3243243), wk = 0.0024752 k( 303) = ( 0.3175676 0.5000000 0.3175676), wk = 0.0024752 k( 304) = ( 0.3108108 0.5000000 0.3108108), wk = 0.0024752 k( 305) = ( 0.3040541 0.5000000 0.3040541), wk = 0.0024752 k( 306) = ( 0.2972973 0.5000000 0.2972973), wk = 0.0024752 k( 307) = ( 0.2905405 0.5000000 0.2905405), wk = 0.0024752 k( 308) = ( 0.2837838 0.5000000 0.2837838), wk = 0.0024752 k( 309) = ( 0.2770270 0.5000000 0.2770270), wk = 0.0024752 k( 310) = ( 0.2702703 0.5000000 0.2702703), wk = 0.0024752 k( 311) = ( 0.2635135 0.5000000 0.2635135), wk = 0.0024752 k( 312) = ( 0.2567568 0.5000000 0.2567568), wk = 0.0024752 k( 313) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0024752 k( 314) = ( 0.2432432 0.5000000 0.2432432), wk = 0.0024752 k( 315) = ( 0.2364865 0.5000000 0.2364865), wk = 0.0024752 k( 316) = ( 0.2297297 0.5000000 0.2297297), wk = 0.0024752 k( 317) = ( 0.2229730 0.5000000 0.2229730), wk = 0.0024752 k( 318) = ( 0.2162162 0.5000000 0.2162162), wk = 0.0024752 k( 319) = ( 0.2094595 0.5000000 0.2094595), wk = 0.0024752 k( 320) = ( 0.2027027 0.5000000 0.2027027), wk = 0.0024752 k( 321) = ( 0.1959460 0.5000000 0.1959460), wk = 0.0024752 k( 322) = ( 0.1891892 0.5000000 0.1891892), wk = 0.0024752 k( 323) = ( 0.1824324 0.5000000 0.1824324), wk = 0.0024752 k( 324) = ( 0.1756757 0.5000000 0.1756757), wk = 0.0024752 k( 325) = ( 0.1689189 0.5000000 0.1689189), wk = 0.0024752 k( 326) = ( 0.1621622 0.5000000 0.1621622), wk = 0.0024752 k( 327) = ( 0.1554054 0.5000000 0.1554054), wk = 0.0024752 k( 328) = ( 0.1486486 0.5000000 0.1486486), wk = 0.0024752 k( 329) = ( 0.1418919 0.5000000 0.1418919), wk = 0.0024752 k( 330) = ( 0.1351351 0.5000000 0.1351351), wk = 0.0024752 k( 331) = ( 0.1283784 0.5000000 0.1283784), wk = 0.0024752 k( 332) = ( 0.1216216 0.5000000 0.1216216), wk = 0.0024752 k( 333) = ( 0.1148649 0.5000000 0.1148649), wk = 0.0024752 k( 334) = ( 0.1081081 0.5000000 0.1081081), wk = 0.0024752 k( 335) = ( 0.1013514 0.5000000 0.1013514), wk = 0.0024752 k( 336) = ( 0.0945946 0.5000000 0.0945946), wk = 0.0024752 k( 337) = ( 0.0878378 0.5000000 0.0878378), wk = 0.0024752 k( 338) = ( 0.0810811 0.5000000 0.0810811), wk = 0.0024752 k( 339) = ( 0.0743243 0.5000000 0.0743243), wk = 0.0024752 k( 340) = ( 0.0675676 0.5000000 0.0675676), wk = 0.0024752 k( 341) = ( 0.0608108 0.5000000 0.0608108), wk = 0.0024752 k( 342) = ( 0.0540540 0.5000000 0.0540540), wk = 0.0024752 k( 343) = ( 0.0472973 0.5000000 0.0472973), wk = 0.0024752 k( 344) = ( 0.0405405 0.5000000 0.0405405), wk = 0.0024752 k( 345) = ( 0.0337838 0.5000000 0.0337838), wk = 0.0024752 k( 346) = ( 0.0270270 0.5000000 0.0270270), wk = 0.0024752 k( 347) = ( 0.0202703 0.5000000 0.0202703), wk = 0.0024752 k( 348) = ( 0.0135135 0.5000000 0.0135135), wk = 0.0024752 k( 349) = ( 0.0067568 0.5000000 0.0067568), wk = 0.0024752 k( 350) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024752 k( 351) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 352) = ( 0.5000000 0.5000000 0.0094340), wk = 0.0024752 k( 353) = ( 0.5000000 0.5000000 0.0188679), wk = 0.0024752 k( 354) = ( 0.5000000 0.5000000 0.0283019), wk = 0.0024752 k( 355) = ( 0.5000000 0.5000000 0.0377359), wk = 0.0024752 k( 356) = ( 0.5000000 0.5000000 0.0471698), wk = 0.0024752 k( 357) = ( 0.5000000 0.5000000 0.0566038), wk = 0.0024752 k( 358) = ( 0.5000000 0.5000000 0.0660377), wk = 0.0024752 k( 359) = ( 0.5000000 0.5000000 0.0754717), wk = 0.0024752 k( 360) = ( 0.5000000 0.5000000 0.0849057), wk = 0.0024752 k( 361) = ( 0.5000000 0.5000000 0.0943396), wk = 0.0024752 k( 362) = ( 0.5000000 0.5000000 0.1037736), wk = 0.0024752 k( 363) = ( 0.5000000 0.5000000 0.1132076), wk = 0.0024752 k( 364) = ( 0.5000000 0.5000000 0.1226415), wk = 0.0024752 k( 365) = ( 0.5000000 0.5000000 0.1320755), wk = 0.0024752 k( 366) = ( 0.5000000 0.5000000 0.1415094), wk = 0.0024752 k( 367) = ( 0.5000000 0.5000000 0.1509434), wk = 0.0024752 k( 368) = ( 0.5000000 0.5000000 0.1603774), wk = 0.0024752 k( 369) = ( 0.5000000 0.5000000 0.1698113), wk = 0.0024752 k( 370) = ( 0.5000000 0.5000000 0.1792453), wk = 0.0024752 k( 371) = ( 0.5000000 0.5000000 0.1886792), wk = 0.0024752 k( 372) = ( 0.5000000 0.5000000 0.1981132), wk = 0.0024752 k( 373) = ( 0.5000000 0.5000000 0.2075472), wk = 0.0024752 k( 374) = ( 0.5000000 0.5000000 0.2169811), wk = 0.0024752 k( 375) = ( 0.5000000 0.5000000 0.2264151), wk = 0.0024752 k( 376) = ( 0.5000000 0.5000000 0.2358491), wk = 0.0024752 k( 377) = ( 0.5000000 0.5000000 0.2452830), wk = 0.0024752 k( 378) = ( 0.5000000 0.5000000 0.2547170), wk = 0.0024752 k( 379) = ( 0.5000000 0.5000000 0.2641509), wk = 0.0024752 k( 380) = ( 0.5000000 0.5000000 0.2735849), wk = 0.0024752 k( 381) = ( 0.5000000 0.5000000 0.2830189), wk = 0.0024752 k( 382) = ( 0.5000000 0.5000000 0.2924528), wk = 0.0024752 k( 383) = ( 0.5000000 0.5000000 0.3018868), wk = 0.0024752 k( 384) = ( 0.5000000 0.5000000 0.3113207), wk = 0.0024752 k( 385) = ( 0.5000000 0.5000000 0.3207547), wk = 0.0024752 k( 386) = ( 0.5000000 0.5000000 0.3301887), wk = 0.0024752 k( 387) = ( 0.5000000 0.5000000 0.3396226), wk = 0.0024752 k( 388) = ( 0.5000000 0.5000000 0.3490566), wk = 0.0024752 k( 389) = ( 0.5000000 0.5000000 0.3584906), wk = 0.0024752 k( 390) = ( 0.5000000 0.5000000 0.3679245), wk = 0.0024752 k( 391) = ( 0.5000000 0.5000000 0.3773585), wk = 0.0024752 k( 392) = ( 0.5000000 0.5000000 0.3867925), wk = 0.0024752 k( 393) = ( 0.5000000 0.5000000 0.3962264), wk = 0.0024752 k( 394) = ( 0.5000000 0.5000000 0.4056604), wk = 0.0024752 k( 395) = ( 0.5000000 0.5000000 0.4150943), wk = 0.0024752 k( 396) = ( 0.5000000 0.5000000 0.4245283), wk = 0.0024752 k( 397) = ( 0.5000000 0.5000000 0.4339623), wk = 0.0024752 k( 398) = ( 0.5000000 0.5000000 0.4433962), wk = 0.0024752 k( 399) = ( 0.5000000 0.5000000 0.4528302), wk = 0.0024752 k( 400) = ( 0.5000000 0.5000000 0.4622641), wk = 0.0024752 k( 401) = ( 0.5000000 0.5000000 0.4716981), wk = 0.0024752 k( 402) = ( 0.5000000 0.5000000 0.4811321), wk = 0.0024752 k( 403) = ( 0.5000000 0.5000000 0.4905660), wk = 0.0024752 k( 404) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 Dense grid: 17845 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 132, 30) NL pseudopotentials 0.07 Mb ( 66, 68) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 497) G-vector shells 0.00 Mb ( 147) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 132, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TiNi.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 12 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.2 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.4 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.7 secs Computing kpt #: 14 total cpu time spent up to now is 3.8 secs Computing kpt #: 15 total cpu time spent up to now is 3.9 secs Computing kpt #: 16 total cpu time spent up to now is 4.1 secs Computing kpt #: 17 total cpu time spent up to now is 4.2 secs Computing kpt #: 18 total cpu time spent up to now is 4.3 secs Computing kpt #: 19 total cpu time spent up to now is 4.5 secs Computing kpt #: 20 total cpu time spent up to now is 4.6 secs Computing kpt #: 21 total cpu time spent up to now is 4.8 secs Computing kpt #: 22 total cpu time spent up to now is 4.9 secs Computing kpt #: 23 total cpu time spent up to now is 5.1 secs Computing kpt #: 24 total cpu time spent up to now is 5.2 secs Computing kpt #: 25 total cpu time spent up to now is 5.4 secs Computing kpt #: 26 total cpu time spent up to now is 5.5 secs Computing kpt #: 27 total cpu time spent up to now is 5.7 secs Computing kpt #: 28 total cpu time spent up to now is 5.8 secs Computing kpt #: 29 total cpu time spent up to now is 6.0 secs Computing kpt #: 30 total cpu time spent up to now is 6.1 secs Computing kpt #: 31 total cpu time spent up to now is 6.3 secs Computing kpt #: 32 total cpu time spent up to now is 6.4 secs Computing kpt #: 33 total cpu time spent up to now is 6.6 secs Computing kpt #: 34 total cpu time spent up to now is 6.7 secs Computing kpt #: 35 total cpu time spent up to now is 6.9 secs Computing kpt #: 36 total cpu time spent up to now is 7.1 secs Computing kpt #: 37 total cpu time spent up to now is 7.2 secs Computing kpt #: 38 total cpu time spent up to now is 7.4 secs Computing kpt #: 39 total cpu time spent up to now is 7.5 secs Computing kpt #: 40 total cpu time spent up to now is 7.7 secs Computing kpt #: 41 total cpu time spent up to now is 7.9 secs Computing kpt #: 42 total cpu time spent up to now is 8.0 secs Computing kpt #: 43 total cpu time spent up to now is 8.2 secs Computing kpt #: 44 total cpu time spent up to now is 8.4 secs Computing kpt #: 45 total cpu time spent up to now is 8.5 secs Computing kpt #: 46 total cpu time spent up to now is 8.7 secs Computing kpt #: 47 total cpu time spent up to now is 8.9 secs Computing kpt #: 48 total cpu time spent up to now is 9.0 secs Computing kpt #: 49 total cpu time spent up to now is 9.2 secs Computing kpt #: 50 total cpu time spent up to now is 9.3 secs Computing kpt #: 51 total cpu time spent up to now is 9.5 secs Computing kpt #: 52 total cpu time spent up to now is 9.6 secs Computing kpt #: 53 total cpu time spent up to now is 9.8 secs Computing kpt #: 54 total cpu time spent up to now is 10.0 secs Computing kpt #: 55 total cpu time spent up to now is 10.1 secs Computing kpt #: 56 total cpu time spent up to now is 10.3 secs Computing kpt #: 57 total cpu time spent up to now is 10.4 secs Computing kpt #: 58 total cpu time spent up to now is 10.6 secs Computing kpt #: 59 total cpu time spent up to now is 10.7 secs Computing kpt #: 60 total cpu time spent up to now is 10.9 secs Computing kpt #: 61 total cpu time spent up to now is 11.0 secs Computing kpt #: 62 total cpu time spent up to now is 11.2 secs Computing kpt #: 63 total cpu time spent up to now is 11.3 secs Computing kpt #: 64 total cpu time spent up to now is 11.5 secs Computing kpt #: 65 total cpu time spent up to now is 11.6 secs Computing kpt #: 66 total cpu time spent up to now is 11.7 secs Computing kpt #: 67 total cpu time spent up to now is 11.9 secs Computing kpt #: 68 total cpu time spent up to now is 12.1 secs Computing kpt #: 69 total cpu time spent up to now is 12.2 secs Computing kpt #: 70 total cpu time spent up to now is 12.4 secs Computing kpt #: 71 total cpu time spent up to now is 12.5 secs Computing kpt #: 72 total cpu time spent up to now is 12.7 secs Computing kpt #: 73 total cpu time spent up to now is 12.9 secs Computing kpt #: 74 total cpu time spent up to now is 13.0 secs Computing kpt #: 75 total cpu time spent up to now is 13.2 secs Computing kpt #: 76 total cpu time spent up to now is 13.4 secs Computing kpt #: 77 total cpu time spent up to now is 13.5 secs Computing kpt #: 78 total cpu time spent up to now is 13.7 secs Computing kpt #: 79 total cpu time spent up to now is 13.9 secs Computing kpt #: 80 total cpu time spent up to now is 14.0 secs Computing kpt #: 81 total cpu time spent up to now is 14.2 secs Computing kpt #: 82 total cpu time spent up to now is 14.3 secs Computing kpt #: 83 total cpu time spent up to now is 14.5 secs Computing kpt #: 84 total cpu time spent up to now is 14.6 secs Computing kpt #: 85 total cpu time spent up to now is 14.8 secs Computing kpt #: 86 total cpu time spent up to now is 15.0 secs Computing kpt #: 87 total cpu time spent up to now is 15.1 secs Computing kpt #: 88 total cpu time spent up to now is 15.3 secs Computing kpt #: 89 total cpu time spent up to now is 15.4 secs Computing kpt #: 90 total cpu time spent up to now is 15.6 secs Computing kpt #: 91 total cpu time spent up to now is 15.7 secs Computing kpt #: 92 total cpu time spent up to now is 15.9 secs Computing kpt #: 93 total cpu time spent up to now is 16.1 secs Computing kpt #: 94 total cpu time spent up to now is 16.2 secs Computing kpt #: 95 total cpu time spent up to now is 16.4 secs Computing kpt #: 96 total cpu time spent up to now is 16.5 secs Computing kpt #: 97 total cpu time spent up to now is 16.7 secs Computing kpt #: 98 total cpu time spent up to now is 16.8 secs Computing kpt #: 99 total cpu time spent up to now is 17.0 secs Computing kpt #: 100 total cpu time spent up to now is 17.2 secs Computing kpt #: 101 total cpu time spent up to now is 17.3 secs Computing kpt #: 102 total cpu time spent up to now is 17.5 secs Computing kpt #: 103 total cpu time spent up to now is 17.6 secs Computing kpt #: 104 total cpu time spent up to now is 17.8 secs Computing kpt #: 105 total cpu time spent up to now is 18.0 secs Computing kpt #: 106 total cpu time spent up to now is 18.1 secs Computing kpt #: 107 total cpu time spent up to now is 18.3 secs Computing kpt #: 108 total cpu time spent up to now is 18.5 secs Computing kpt #: 109 total cpu time spent up to now is 18.6 secs Computing kpt #: 110 total cpu time spent up to now is 18.8 secs Computing kpt #: 111 total cpu time spent up to now is 19.0 secs Computing kpt #: 112 total cpu time spent up to now is 19.1 secs Computing kpt #: 113 total cpu time spent up to now is 19.3 secs Computing kpt #: 114 total cpu time spent up to now is 19.4 secs Computing kpt #: 115 total cpu time spent up to now is 19.6 secs Computing kpt #: 116 total cpu time spent up to now is 19.7 secs Computing kpt #: 117 total cpu time spent up to now is 19.9 secs Computing kpt #: 118 total cpu time spent up to now is 20.1 secs Computing kpt #: 119 total cpu time spent up to now is 20.2 secs Computing kpt #: 120 total cpu time spent up to now is 20.4 secs Computing kpt #: 121 total cpu time spent up to now is 20.5 secs Computing kpt #: 122 total cpu time spent up to now is 20.7 secs Computing kpt #: 123 total cpu time spent up to now is 20.9 secs Computing kpt #: 124 total cpu time spent up to now is 21.0 secs Computing kpt #: 125 total cpu time spent up to now is 21.2 secs Computing kpt #: 126 total cpu time spent up to now is 21.3 secs Computing kpt #: 127 total cpu time spent up to now is 21.5 secs Computing kpt #: 128 total cpu time spent up to now is 21.7 secs Computing kpt #: 129 total cpu time spent up to now is 21.8 secs Computing kpt #: 130 total cpu time spent up to now is 22.0 secs Computing kpt #: 131 total cpu time spent up to now is 22.2 secs Computing kpt #: 132 total cpu time spent up to now is 22.3 secs Computing kpt #: 133 total cpu time spent up to now is 22.5 secs Computing kpt #: 134 total cpu time spent up to now is 22.7 secs Computing kpt #: 135 total cpu time spent up to now is 22.8 secs Computing kpt #: 136 total cpu time spent up to now is 23.0 secs Computing kpt #: 137 total cpu time spent up to now is 23.2 secs Computing kpt #: 138 total cpu time spent up to now is 23.3 secs Computing kpt #: 139 total cpu time spent up to now is 23.5 secs Computing kpt #: 140 total cpu time spent up to now is 23.6 secs Computing kpt #: 141 total cpu time spent up to now is 23.8 secs Computing kpt #: 142 total cpu time spent up to now is 24.0 secs Computing kpt #: 143 total cpu time spent up to now is 24.1 secs Computing kpt #: 144 total cpu time spent up to now is 24.3 secs Computing kpt #: 145 total cpu time spent up to now is 24.5 secs Computing kpt #: 146 total cpu time spent up to now is 24.6 secs Computing kpt #: 147 total cpu time spent up to now is 24.8 secs Computing kpt #: 148 total cpu time spent up to now is 24.9 secs Computing kpt #: 149 total cpu time spent up to now is 25.1 secs Computing kpt #: 150 total cpu time spent up to now is 25.2 secs Computing kpt #: 151 total cpu time spent up to now is 25.4 secs Computing kpt #: 152 total cpu time spent up to now is 25.5 secs Computing kpt #: 153 total cpu time spent up to now is 25.7 secs Computing kpt #: 154 total cpu time spent up to now is 25.8 secs Computing kpt #: 155 total cpu time spent up to now is 26.0 secs Computing kpt #: 156 total cpu time spent up to now is 26.1 secs Computing kpt #: 157 total cpu time spent up to now is 26.2 secs Computing kpt #: 158 total cpu time spent up to now is 26.4 secs Computing kpt #: 159 total cpu time spent up to now is 26.5 secs Computing kpt #: 160 total cpu time spent up to now is 26.7 secs Computing kpt #: 161 total cpu time spent up to now is 26.8 secs Computing kpt #: 162 total cpu time spent up to now is 26.9 secs Computing kpt #: 163 total cpu time spent up to now is 27.1 secs Computing kpt #: 164 total cpu time spent up to now is 27.2 secs Computing kpt #: 165 total cpu time spent up to now is 27.4 secs Computing kpt #: 166 total cpu time spent up to now is 27.5 secs Computing kpt #: 167 total cpu time spent up to now is 27.6 secs Computing kpt #: 168 total cpu time spent up to now is 27.8 secs Computing kpt #: 169 total cpu time spent up to now is 27.9 secs Computing kpt #: 170 total cpu time spent up to now is 28.0 secs Computing kpt #: 171 total cpu time spent up to now is 28.2 secs Computing kpt #: 172 total cpu time spent up to now is 28.3 secs Computing kpt #: 173 total cpu time spent up to now is 28.4 secs Computing kpt #: 174 total cpu time spent up to now is 28.5 secs Computing kpt #: 175 total cpu time spent up to now is 28.7 secs Computing kpt #: 176 total cpu time spent up to now is 28.8 secs Computing kpt #: 177 total cpu time spent up to now is 28.9 secs Computing kpt #: 178 total cpu time spent up to now is 29.1 secs Computing kpt #: 179 total cpu time spent up to now is 29.2 secs Computing kpt #: 180 total cpu time spent up to now is 29.3 secs Computing kpt #: 181 total cpu time spent up to now is 29.4 secs Computing kpt #: 182 total cpu time spent up to now is 29.6 secs Computing kpt #: 183 total cpu time spent up to now is 29.7 secs Computing kpt #: 184 total cpu time spent up to now is 29.8 secs Computing kpt #: 185 total cpu time spent up to now is 29.9 secs Computing kpt #: 186 total cpu time spent up to now is 30.1 secs Computing kpt #: 187 total cpu time spent up to now is 30.2 secs Computing kpt #: 188 total cpu time spent up to now is 30.3 secs Computing kpt #: 189 total cpu time spent up to now is 30.4 secs Computing kpt #: 190 total cpu time spent up to now is 30.6 secs Computing kpt #: 191 total cpu time spent up to now is 30.7 secs Computing kpt #: 192 total cpu time spent up to now is 30.8 secs Computing kpt #: 193 total cpu time spent up to now is 31.0 secs Computing kpt #: 194 total cpu time spent up to now is 31.1 secs Computing kpt #: 195 total cpu time spent up to now is 31.2 secs Computing kpt #: 196 total cpu time spent up to now is 31.3 secs Computing kpt #: 197 total cpu time spent up to now is 31.5 secs Computing kpt #: 198 total cpu time spent up to now is 31.6 secs Computing kpt #: 199 total cpu time spent up to now is 31.8 secs Computing kpt #: 200 total cpu time spent up to now is 31.9 secs Computing kpt #: 201 total cpu time spent up to now is 32.0 secs Computing kpt #: 202 total cpu time spent up to now is 32.2 secs Computing kpt #: 203 total cpu time spent up to now is 32.3 secs Computing kpt #: 204 total cpu time spent up to now is 32.4 secs Computing kpt #: 205 total cpu time spent up to now is 32.6 secs Computing kpt #: 206 total cpu time spent up to now is 32.7 secs Computing kpt #: 207 total cpu time spent up to now is 32.9 secs Computing kpt #: 208 total cpu time spent up to now is 33.0 secs Computing kpt #: 209 total cpu time spent up to now is 33.1 secs Computing kpt #: 210 total cpu time spent up to now is 33.3 secs Computing kpt #: 211 total cpu time spent up to now is 33.4 secs Computing kpt #: 212 total cpu time spent up to now is 33.6 secs Computing kpt #: 213 total cpu time spent up to now is 33.7 secs Computing kpt #: 214 total cpu time spent up to now is 33.8 secs Computing kpt #: 215 total cpu time spent up to now is 34.0 secs Computing kpt #: 216 total cpu time spent up to now is 34.1 secs Computing kpt #: 217 total cpu time spent up to now is 34.3 secs Computing kpt #: 218 total cpu time spent up to now is 34.4 secs Computing kpt #: 219 total cpu time spent up to now is 34.6 secs Computing kpt #: 220 total cpu time spent up to now is 34.7 secs Computing kpt #: 221 total cpu time spent up to now is 34.9 secs Computing kpt #: 222 total cpu time spent up to now is 35.0 secs Computing kpt #: 223 total cpu time spent up to now is 35.2 secs Computing kpt #: 224 total cpu time spent up to now is 35.3 secs Computing kpt #: 225 total cpu time spent up to now is 35.5 secs Computing kpt #: 226 total cpu time spent up to now is 35.6 secs Computing kpt #: 227 total cpu time spent up to now is 35.8 secs Computing kpt #: 228 total cpu time spent up to now is 35.9 secs Computing kpt #: 229 total cpu time spent up to now is 36.1 secs Computing kpt #: 230 total cpu time spent up to now is 36.2 secs Computing kpt #: 231 total cpu time spent up to now is 36.4 secs Computing kpt #: 232 total cpu time spent up to now is 36.5 secs Computing kpt #: 233 total cpu time spent up to now is 36.7 secs Computing kpt #: 234 total cpu time spent up to now is 36.8 secs Computing kpt #: 235 total cpu time spent up to now is 37.0 secs Computing kpt #: 236 total cpu time spent up to now is 37.2 secs Computing kpt #: 237 total cpu time spent up to now is 37.3 secs Computing kpt #: 238 total cpu time spent up to now is 37.5 secs Computing kpt #: 239 total cpu time spent up to now is 37.6 secs Computing kpt #: 240 total cpu time spent up to now is 37.8 secs Computing kpt #: 241 total cpu time spent up to now is 37.9 secs Computing kpt #: 242 total cpu time spent up to now is 38.1 secs Computing kpt #: 243 total cpu time spent up to now is 38.2 secs Computing kpt #: 244 total cpu time spent up to now is 38.4 secs Computing kpt #: 245 total cpu time spent up to now is 38.6 secs Computing kpt #: 246 total cpu time spent up to now is 38.8 secs Computing kpt #: 247 total cpu time spent up to now is 38.9 secs Computing kpt #: 248 total cpu time spent up to now is 39.1 secs Computing kpt #: 249 total cpu time spent up to now is 39.3 secs Computing kpt #: 250 total cpu time spent up to now is 39.4 secs Computing kpt #: 251 total cpu time spent up to now is 39.6 secs Computing kpt #: 252 total cpu time spent up to now is 39.7 secs Computing kpt #: 253 total cpu time spent up to now is 39.9 secs Computing kpt #: 254 total cpu time spent up to now is 40.0 secs Computing kpt #: 255 total cpu time spent up to now is 40.2 secs Computing kpt #: 256 total cpu time spent up to now is 40.4 secs Computing kpt #: 257 total cpu time spent up to now is 40.5 secs Computing kpt #: 258 total cpu time spent up to now is 40.7 secs Computing kpt #: 259 total cpu time spent up to now is 40.9 secs Computing kpt #: 260 total cpu time spent up to now is 41.0 secs Computing kpt #: 261 total cpu time spent up to now is 41.2 secs Computing kpt #: 262 total cpu time spent up to now is 41.4 secs Computing kpt #: 263 total cpu time spent up to now is 41.5 secs Computing kpt #: 264 total cpu time spent up to now is 41.7 secs Computing kpt #: 265 total cpu time spent up to now is 41.9 secs Computing kpt #: 266 total cpu time spent up to now is 42.0 secs Computing kpt #: 267 total cpu time spent up to now is 42.2 secs Computing kpt #: 268 total cpu time spent up to now is 42.4 secs Computing kpt #: 269 total cpu time spent up to now is 42.5 secs Computing kpt #: 270 total cpu time spent up to now is 42.7 secs Computing kpt #: 271 total cpu time spent up to now is 42.9 secs Computing kpt #: 272 total cpu time spent up to now is 43.0 secs Computing kpt #: 273 total cpu time spent up to now is 43.2 secs Computing kpt #: 274 total cpu time spent up to now is 43.4 secs Computing kpt #: 275 total cpu time spent up to now is 43.5 secs Computing kpt #: 276 total cpu time spent up to now is 43.7 secs Computing kpt #: 277 total cpu time spent up to now is 43.8 secs Computing kpt #: 278 total cpu time spent up to now is 44.0 secs Computing kpt #: 279 total cpu time spent up to now is 44.1 secs Computing kpt #: 280 total cpu time spent up to now is 44.3 secs Computing kpt #: 281 total cpu time spent up to now is 44.5 secs Computing kpt #: 282 total cpu time spent up to now is 44.6 secs Computing kpt #: 283 total cpu time spent up to now is 44.8 secs Computing kpt #: 284 total cpu time spent up to now is 45.0 secs Computing kpt #: 285 total cpu time spent up to now is 45.1 secs Computing kpt #: 286 total cpu time spent up to now is 45.3 secs Computing kpt #: 287 total cpu time spent up to now is 45.5 secs Computing kpt #: 288 total cpu time spent up to now is 45.6 secs Computing kpt #: 289 total cpu time spent up to now is 45.8 secs Computing kpt #: 290 total cpu time spent up to now is 46.0 secs Computing kpt #: 291 total cpu time spent up to now is 46.2 secs Computing kpt #: 292 total cpu time spent up to now is 46.3 secs Computing kpt #: 293 total cpu time spent up to now is 46.5 secs Computing kpt #: 294 total cpu time spent up to now is 46.7 secs Computing kpt #: 295 total cpu time spent up to now is 46.8 secs Computing kpt #: 296 total cpu time spent up to now is 47.0 secs Computing kpt #: 297 total cpu time spent up to now is 47.2 secs Computing kpt #: 298 total cpu time spent up to now is 47.3 secs Computing kpt #: 299 total cpu time spent up to now is 47.5 secs Computing kpt #: 300 total cpu time spent up to now is 47.7 secs Computing kpt #: 301 total cpu time spent up to now is 47.8 secs Computing kpt #: 302 total cpu time spent up to now is 48.0 secs Computing kpt #: 303 total cpu time spent up to now is 48.1 secs Computing kpt #: 304 total cpu time spent up to now is 48.3 secs Computing kpt #: 305 total cpu time spent up to now is 48.5 secs Computing kpt #: 306 total cpu time spent up to now is 48.6 secs Computing kpt #: 307 total cpu time spent up to now is 48.8 secs Computing kpt #: 308 total cpu time spent up to now is 48.9 secs Computing kpt #: 309 total cpu time spent up to now is 49.1 secs Computing kpt #: 310 total cpu time spent up to now is 49.3 secs Computing kpt #: 311 total cpu time spent up to now is 49.4 secs Computing kpt #: 312 total cpu time spent up to now is 49.6 secs Computing kpt #: 313 total cpu time spent up to now is 49.7 secs Computing kpt #: 314 total cpu time spent up to now is 49.9 secs Computing kpt #: 315 total cpu time spent up to now is 50.1 secs Computing kpt #: 316 total cpu time spent up to now is 50.2 secs Computing kpt #: 317 total cpu time spent up to now is 50.4 secs Computing kpt #: 318 total cpu time spent up to now is 50.5 secs Computing kpt #: 319 total cpu time spent up to now is 50.7 secs Computing kpt #: 320 total cpu time spent up to now is 50.9 secs Computing kpt #: 321 total cpu time spent up to now is 51.0 secs Computing kpt #: 322 total cpu time spent up to now is 51.2 secs Computing kpt #: 323 total cpu time spent up to now is 51.3 secs Computing kpt #: 324 total cpu time spent up to now is 51.5 secs Computing kpt #: 325 total cpu time spent up to now is 51.7 secs Computing kpt #: 326 total cpu time spent up to now is 51.8 secs Computing kpt #: 327 total cpu time spent up to now is 52.0 secs Computing kpt #: 328 total cpu time spent up to now is 52.2 secs Computing kpt #: 329 total cpu time spent up to now is 52.3 secs Computing kpt #: 330 total cpu time spent up to now is 52.5 secs Computing kpt #: 331 total cpu time spent up to now is 52.7 secs Computing kpt #: 332 total cpu time spent up to now is 52.8 secs Computing kpt #: 333 total cpu time spent up to now is 53.0 secs Computing kpt #: 334 total cpu time spent up to now is 53.2 secs Computing kpt #: 335 total cpu time spent up to now is 53.3 secs Computing kpt #: 336 total cpu time spent up to now is 53.5 secs Computing kpt #: 337 total cpu time spent up to now is 53.6 secs Computing kpt #: 338 total cpu time spent up to now is 53.8 secs Computing kpt #: 339 total cpu time spent up to now is 53.9 secs Computing kpt #: 340 total cpu time spent up to now is 54.1 secs Computing kpt #: 341 total cpu time spent up to now is 54.2 secs Computing kpt #: 342 total cpu time spent up to now is 54.4 secs Computing kpt #: 343 total cpu time spent up to now is 54.5 secs Computing kpt #: 344 total cpu time spent up to now is 54.7 secs Computing kpt #: 345 total cpu time spent up to now is 54.8 secs Computing kpt #: 346 total cpu time spent up to now is 54.9 secs Computing kpt #: 347 total cpu time spent up to now is 55.1 secs Computing kpt #: 348 total cpu time spent up to now is 55.2 secs Computing kpt #: 349 total cpu time spent up to now is 55.4 secs Computing kpt #: 350 total cpu time spent up to now is 55.5 secs Computing kpt #: 351 total cpu time spent up to now is 55.7 secs Computing kpt #: 352 total cpu time spent up to now is 55.9 secs Computing kpt #: 353 total cpu time spent up to now is 56.0 secs Computing kpt #: 354 total cpu time spent up to now is 56.2 secs Computing kpt #: 355 total cpu time spent up to now is 56.4 secs Computing kpt #: 356 total cpu time spent up to now is 56.5 secs Computing kpt #: 357 total cpu time spent up to now is 56.7 secs Computing kpt #: 358 total cpu time spent up to now is 56.9 secs Computing kpt #: 359 total cpu time spent up to now is 57.0 secs Computing kpt #: 360 total cpu time spent up to now is 57.2 secs Computing kpt #: 361 total cpu time spent up to now is 57.4 secs Computing kpt #: 362 total cpu time spent up to now is 57.5 secs Computing kpt #: 363 total cpu time spent up to now is 57.7 secs Computing kpt #: 364 total cpu time spent up to now is 57.9 secs Computing kpt #: 365 total cpu time spent up to now is 58.2 secs Computing kpt #: 366 total cpu time spent up to now is 58.4 secs Computing kpt #: 367 total cpu time spent up to now is 58.5 secs Computing kpt #: 368 total cpu time spent up to now is 58.7 secs Computing kpt #: 369 total cpu time spent up to now is 58.9 secs Computing kpt #: 370 total cpu time spent up to now is 59.1 secs Computing kpt #: 371 total cpu time spent up to now is 59.2 secs Computing kpt #: 372 total cpu time spent up to now is 59.4 secs Computing kpt #: 373 total cpu time spent up to now is 59.6 secs Computing kpt #: 374 total cpu time spent up to now is 59.8 secs Computing kpt #: 375 total cpu time spent up to now is 60.0 secs Computing kpt #: 376 total cpu time spent up to now is 60.1 secs Computing kpt #: 377 total cpu time spent up to now is 60.3 secs Computing kpt #: 378 total cpu time spent up to now is 60.5 secs Computing kpt #: 379 total cpu time spent up to now is 60.7 secs Computing kpt #: 380 total cpu time spent up to now is 60.8 secs Computing kpt #: 381 total cpu time spent up to now is 61.0 secs Computing kpt #: 382 total cpu time spent up to now is 61.2 secs Computing kpt #: 383 total cpu time spent up to now is 61.4 secs Computing kpt #: 384 total cpu time spent up to now is 61.6 secs Computing kpt #: 385 total cpu time spent up to now is 61.8 secs Computing kpt #: 386 total cpu time spent up to now is 61.9 secs Computing kpt #: 387 total cpu time spent up to now is 62.1 secs Computing kpt #: 388 total cpu time spent up to now is 62.3 secs Computing kpt #: 389 total cpu time spent up to now is 62.5 secs Computing kpt #: 390 total cpu time spent up to now is 62.7 secs Computing kpt #: 391 total cpu time spent up to now is 62.9 secs Computing kpt #: 392 total cpu time spent up to now is 63.1 secs Computing kpt #: 393 total cpu time spent up to now is 63.3 secs Computing kpt #: 394 total cpu time spent up to now is 63.4 secs Computing kpt #: 395 total cpu time spent up to now is 63.6 secs Computing kpt #: 396 total cpu time spent up to now is 63.8 secs Computing kpt #: 397 total cpu time spent up to now is 63.9 secs Computing kpt #: 398 total cpu time spent up to now is 64.1 secs Computing kpt #: 399 total cpu time spent up to now is 64.3 secs Computing kpt #: 400 total cpu time spent up to now is 64.4 secs Computing kpt #: 401 total cpu time spent up to now is 64.6 secs Computing kpt #: 402 total cpu time spent up to now is 64.8 secs Computing kpt #: 403 total cpu time spent up to now is 64.9 secs Computing kpt #: 404 total cpu time spent up to now is 65.1 secs ethr = 4.55E-08, avg # of iterations = 15.5 total cpu time spent up to now is 65.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): -42.9552 -42.9552 -19.5091 -19.5091 -18.8479 -18.8479 -18.8479 -18.8479 6.5264 6.5264 10.5170 10.5170 10.5170 10.5170 12.3311 12.3311 12.3311 12.3311 12.4595 12.4595 14.7245 14.7245 14.7245 14.7245 16.7664 16.7664 16.7664 16.7664 16.8158 16.8158 k = 0.0000 0.0094-0.0000 ( 2205 PWs) bands (ev): -42.9552 -42.9552 -19.5092 -19.5092 -18.8480 -18.8480 -18.8479 -18.8479 6.5281 6.5281 10.5177 10.5177 10.5177 10.5177 12.3310 12.3310 12.3312 12.3312 12.4595 12.4595 14.7238 14.7238 14.7248 14.7248 16.7640 16.7640 16.7654 16.7654 16.8141 16.8141 k = 0.0000 0.0189-0.0000 ( 2217 PWs) bands (ev): -42.9551 -42.9551 -19.5094 -19.5094 -18.8485 -18.8485 -18.8478 -18.8478 6.5332 6.5332 10.5197 10.5197 10.5197 10.5197 12.3306 12.3306 12.3316 12.3316 12.4595 12.4595 14.7217 14.7217 14.7257 14.7257 16.7569 16.7569 16.7622 16.7622 16.8094 16.8094 k = 0.0000 0.0283-0.0000 ( 2237 PWs) bands (ev): -42.9550 -42.9550 -19.5097 -19.5097 -18.8493 -18.8493 -18.8477 -18.8477 6.5418 6.5418 10.5232 10.5232 10.5232 10.5232 12.3300 12.3300 12.3321 12.3321 12.4595 12.4595 14.7181 14.7181 14.7271 14.7271 16.7451 16.7451 16.7561 16.7561 16.8024 16.8024 k = 0.0000 0.0377-0.0000 ( 2237 PWs) bands (ev): -42.9548 -42.9548 -19.5102 -19.5102 -18.8504 -18.8504 -18.8476 -18.8476 6.5537 6.5537 10.5280 10.5280 10.5281 10.5281 12.3291 12.3291 12.3330 12.3330 12.4595 12.4595 14.7132 14.7132 14.7292 14.7292 16.7288 16.7288 16.7457 16.7457 16.7947 16.7947 k = 0.0000 0.0472-0.0000 ( 2237 PWs) bands (ev): -42.9546 -42.9546 -19.5107 -19.5107 -18.8518 -18.8518 -18.8474 -18.8474 6.5691 6.5691 10.5342 10.5342 10.5343 10.5343 12.3280 12.3280 12.3340 12.3340 12.4597 12.4597 14.7068 14.7068 14.7317 14.7317 16.7080 16.7080 16.7299 16.7299 16.7873 16.7873 k = 0.0000 0.0566-0.0000 ( 2229 PWs) bands (ev): -42.9543 -42.9543 -19.5115 -19.5115 -18.8535 -18.8535 -18.8472 -18.8472 6.5879 6.5879 10.5417 10.5417 10.5419 10.5419 12.3267 12.3267 12.3351 12.3351 12.4599 12.4599 14.6990 14.6990 14.7348 14.7348 16.6831 16.6831 16.7086 16.7086 16.7809 16.7809 k = 0.0000 0.0660-0.0000 ( 2221 PWs) bands (ev): -42.9540 -42.9540 -19.5123 -19.5123 -18.8555 -18.8555 -18.8470 -18.8470 6.6100 6.6100 10.5505 10.5505 10.5509 10.5509 12.3252 12.3252 12.3364 12.3364 12.4602 12.4602 14.6899 14.6899 14.7383 14.7383 16.6541 16.6541 16.6821 16.6821 16.7751 16.7751 k = 0.0000 0.0755-0.0000 ( 2221 PWs) bands (ev): -42.9537 -42.9537 -19.5133 -19.5133 -18.8578 -18.8578 -18.8467 -18.8467 6.6355 6.6355 10.5605 10.5605 10.5612 10.5612 12.3234 12.3234 12.3378 12.3378 12.4606 12.4606 14.6793 14.6793 14.7421 14.7421 16.6215 16.6215 16.6511 16.6511 16.7694 16.7695 k = 0.0000 0.0849-0.0000 ( 2213 PWs) bands (ev): -42.9533 -42.9533 -19.5144 -19.5144 -18.8603 -18.8603 -18.8464 -18.8464 6.6643 6.6643 10.5716 10.5716 10.5729 10.5729 12.3215 12.3215 12.3393 12.3393 12.4613 12.4613 14.6674 14.6674 14.7463 14.7463 16.5853 16.5853 16.6162 16.6162 16.7638 16.7638 k = 0.0000 0.0943-0.0000 ( 2217 PWs) bands (ev): -42.9528 -42.9528 -19.5156 -19.5156 -18.8631 -18.8631 -18.8460 -18.8460 6.6965 6.6965 10.5839 10.5839 10.5858 10.5858 12.3194 12.3194 12.3407 12.3407 12.4622 12.4622 14.6541 14.6541 14.7507 14.7507 16.5460 16.5460 16.5779 16.5779 16.7579 16.7579 k = 0.0000 0.1038-0.0000 ( 2213 PWs) bands (ev): -42.9524 -42.9524 -19.5170 -19.5170 -18.8661 -18.8661 -18.8457 -18.8457 6.7319 6.7319 10.5973 10.5973 10.6001 10.6001 12.3170 12.3170 12.3421 12.3421 12.4634 12.4634 14.6395 14.6395 14.7552 14.7552 16.5038 16.5038 16.5364 16.5364 16.7518 16.7518 k = 0.0000 0.1132-0.0000 ( 2212 PWs) bands (ev): -42.9519 -42.9519 -19.5185 -19.5185 -18.8693 -18.8693 -18.8453 -18.8453 6.7706 6.7706 10.6116 10.6116 10.6157 10.6157 12.3146 12.3146 12.3434 12.3434 12.4650 12.4650 14.6236 14.6236 14.7597 14.7597 16.4590 16.4590 16.4922 16.4922 16.7453 16.7453 k = 0.0000 0.1226-0.0000 ( 2228 PWs) bands (ev): -42.9513 -42.9513 -19.5201 -19.5201 -18.8727 -18.8727 -18.8448 -18.8448 6.8125 6.8125 10.6269 10.6269 10.6325 10.6325 12.3119 12.3119 12.3445 12.3445 12.4670 12.4670 14.6063 14.6063 14.7642 14.7642 16.4119 16.4119 16.4456 16.4456 16.7384 16.7384 k = 0.0000 0.1321-0.0000 ( 2228 PWs) bands (ev): -42.9507 -42.9507 -19.5219 -19.5219 -18.8764 -18.8764 -18.8444 -18.8444 6.8575 6.8575 10.6430 10.6430 10.6505 10.6505 12.3091 12.3091 12.3455 12.3455 12.4694 12.4694 14.5878 14.5878 14.7684 14.7684 16.3628 16.3628 16.3969 16.3969 16.7312 16.7312 k = 0.0000 0.1415-0.0000 ( 2232 PWs) bands (ev): -42.9501 -42.9501 -19.5238 -19.5238 -18.8802 -18.8802 -18.8439 -18.8439 6.9058 6.9058 10.6598 10.6598 10.6698 10.6698 12.3062 12.3062 12.3462 12.3462 12.4723 12.4723 14.5680 14.5680 14.7722 14.7722 16.3119 16.3119 16.3465 16.3465 16.7236 16.7236 k = 0.0000 0.1509-0.0000 ( 2232 PWs) bands (ev): -42.9494 -42.9494 -19.5258 -19.5258 -18.8841 -18.8841 -18.8434 -18.8434 6.9571 6.9571 10.6773 10.6773 10.6903 10.6903 12.3032 12.3032 12.3466 12.3466 12.4757 12.4757 14.5470 14.5470 14.7755 14.7755 16.2596 16.2596 16.2944 16.2944 16.7156 16.7156 k = 0.0000 0.1604-0.0000 ( 2232 PWs) bands (ev): -42.9487 -42.9487 -19.5279 -19.5279 -18.8882 -18.8882 -18.8429 -18.8429 7.0114 7.0114 10.6954 10.6954 10.7119 10.7119 12.3001 12.3001 12.3467 12.3467 12.4797 12.4797 14.5247 14.5247 14.7781 14.7781 16.2060 16.2060 16.2412 16.2412 16.7073 16.7073 k = 0.0000 0.1698-0.0000 ( 2232 PWs) bands (ev): -42.9480 -42.9480 -19.5302 -19.5302 -18.8924 -18.8924 -18.8423 -18.8423 7.0688 7.0688 10.7139 10.7139 10.7346 10.7346 12.2969 12.2969 12.3466 12.3466 12.4841 12.4841 14.5014 14.5014 14.7797 14.7797 16.1516 16.1516 16.1869 16.1869 16.6987 16.6987 k = 0.0000 0.1792-0.0000 ( 2232 PWs) bands (ev): -42.9473 -42.9473 -19.5325 -19.5325 -18.8966 -18.8966 -18.8417 -18.8417 7.1292 7.1292 10.7327 10.7327 10.7585 10.7585 12.2936 12.2936 12.3462 12.3462 12.4891 12.4891 14.4768 14.4768 14.7802 14.7802 16.0964 16.0964 16.1320 16.1320 16.6897 16.6897 k = 0.0000 0.1887-0.0000 ( 2228 PWs) bands (ev): -42.9466 -42.9466 -19.5350 -19.5350 -18.9010 -18.9010 -18.8412 -18.8412 7.1924 7.1924 10.7517 10.7517 10.7833 10.7833 12.2903 12.2903 12.3455 12.3455 12.4946 12.4946 14.4512 14.4512 14.7794 14.7794 16.0408 16.0408 16.0765 16.0765 16.6805 16.6805 k = 0.0000 0.1981-0.0000 ( 2228 PWs) bands (ev): -42.9458 -42.9458 -19.5376 -19.5376 -18.9054 -18.9054 -18.8406 -18.8406 7.2585 7.2585 10.7708 10.7708 10.8092 10.8092 12.2869 12.2869 12.3445 12.3445 12.5005 12.5005 14.4245 14.4245 14.7769 14.7769 15.9849 15.9849 16.0206 16.0206 16.6711 16.6711 k = 0.0000 0.2075-0.0000 ( 2236 PWs) bands (ev): -42.9450 -42.9450 -19.5403 -19.5403 -18.9098 -18.9098 -18.8399 -18.8399 7.3273 7.3273 10.7899 10.7899 10.8361 10.8361 12.2836 12.2836 12.3434 12.3434 12.5068 12.5068 14.3968 14.3968 14.7725 14.7725 15.9289 15.9289 15.9647 15.9647 16.6614 16.6614 k = 0.0000 0.2170-0.0000 ( 2244 PWs) bands (ev): -42.9442 -42.9442 -19.5431 -19.5431 -18.9143 -18.9143 -18.8393 -18.8393 7.3989 7.3989 10.8087 10.8087 10.8638 10.8638 12.2802 12.2802 12.3420 12.3420 12.5136 12.5136 14.3682 14.3682 14.7659 14.7659 15.8731 15.8731 15.9090 15.9090 16.6515 16.6515 k = 0.0000 0.2264-0.0000 ( 2244 PWs) bands (ev): -42.9434 -42.9434 -19.5459 -19.5459 -18.9187 -18.9187 -18.8387 -18.8387 7.4731 7.4731 10.8272 10.8272 10.8924 10.8924 12.2768 12.2768 12.3405 12.3405 12.5206 12.5206 14.3386 14.3386 14.7569 14.7569 15.8176 15.8176 15.8534 15.8534 16.6415 16.6415 k = 0.0000 0.2358-0.0000 ( 2252 PWs) bands (ev): -42.9426 -42.9426 -19.5489 -19.5489 -18.9231 -18.9231 -18.8380 -18.8380 7.5499 7.5499 10.8452 10.8452 10.9218 10.9218 12.2735 12.2735 12.3389 12.3389 12.5280 12.5280 14.3082 14.3082 14.7452 14.7452 15.7626 15.7626 15.7984 15.7984 16.6313 16.6313 k = 0.0000 0.2453-0.0000 ( 2252 PWs) bands (ev): -42.9417 -42.9417 -19.5519 -19.5519 -18.9275 -18.9275 -18.8374 -18.8374 7.6291 7.6291 10.8626 10.8626 10.9520 10.9520 12.2702 12.2702 12.3372 12.3372 12.5356 12.5356 14.2770 14.2770 14.7305 14.7305 15.7082 15.7082 15.7440 15.7440 16.6211 16.6211 k = 0.0000 0.2547-0.0000 ( 2252 PWs) bands (ev): -42.9409 -42.9409 -19.5549 -19.5549 -18.9318 -18.9318 -18.8368 -18.8368 7.7108 7.7108 10.8791 10.8791 10.9828 10.9828 12.2669 12.2669 12.3354 12.3354 12.5434 12.5434 14.2451 14.2451 14.7126 14.7126 15.6547 15.6547 15.6903 15.6903 16.6108 16.6108 k = 0.0000 0.2642-0.0000 ( 2252 PWs) bands (ev): -42.9401 -42.9401 -19.5581 -19.5581 -18.9361 -18.9361 -18.8361 -18.8361 7.7948 7.7948 10.8946 10.8946 11.0142 11.0142 12.2637 12.2637 12.3336 12.3336 12.5514 12.5514 14.2126 14.2126 14.6911 14.6911 15.6021 15.6021 15.6376 15.6376 16.6004 16.6004 k = 0.0000 0.2736-0.0000 ( 2244 PWs) bands (ev): -42.9393 -42.9393 -19.5612 -19.5612 -18.9402 -18.9402 -18.8355 -18.8355 7.8809 7.8809 10.9089 10.9089 11.0461 11.0461 12.2606 12.2606 12.3318 12.3318 12.5595 12.5595 14.1795 14.1795 14.6660 14.6660 15.5506 15.5506 15.5859 15.5859 16.5901 16.5901 k = 0.0000 0.2830-0.0000 ( 2244 PWs) bands (ev): -42.9385 -42.9385 -19.5644 -19.5644 -18.9443 -18.9443 -18.8349 -18.8349 7.9692 7.9692 10.9217 10.9217 11.0785 11.0785 12.2575 12.2575 12.3301 12.3301 12.5677 12.5677 14.1459 14.1459 14.6370 14.6370 15.5002 15.5002 15.5354 15.5354 16.5798 16.5798 k = 0.0000 0.2925-0.0000 ( 2252 PWs) bands (ev): -42.9377 -42.9377 -19.5676 -19.5676 -18.9482 -18.9482 -18.8342 -18.8342 8.0595 8.0595 10.9330 10.9330 11.1113 11.1113 12.2545 12.2545 12.3283 12.3283 12.5759 12.5759 14.1119 14.1119 14.6041 14.6041 15.4512 15.4512 15.4862 15.4862 16.5696 16.5696 k = 0.0000 0.3019-0.0000 ( 2252 PWs) bands (ev): -42.9369 -42.9369 -19.5708 -19.5708 -18.9521 -18.9521 -18.8336 -18.8336 8.1517 8.1517 10.9425 10.9425 11.1442 11.1442 12.2516 12.2516 12.3266 12.3266 12.5841 12.5841 14.0776 14.0776 14.5673 14.5673 15.4036 15.4036 15.4384 15.4384 16.5595 16.5595 k = 0.0000 0.3113-0.0000 ( 2244 PWs) bands (ev): -42.9361 -42.9361 -19.5740 -19.5740 -18.9558 -18.9558 -18.8330 -18.8330 8.2456 8.2456 10.9499 10.9499 11.1774 11.1774 12.2488 12.2488 12.3250 12.3250 12.5922 12.5922 14.0431 14.0431 14.5267 14.5267 15.3576 15.3576 15.3922 15.3922 16.5496 16.5496 k = 0.0000 0.3208-0.0000 ( 2244 PWs) bands (ev): -42.9354 -42.9354 -19.5771 -19.5771 -18.9593 -18.9593 -18.8324 -18.8324 8.3411 8.3411 10.9549 10.9549 11.2105 11.2105 12.2461 12.2461 12.3234 12.3234 12.6003 12.6003 14.0086 14.0086 14.4824 14.4824 15.3132 15.3132 15.3475 15.3475 16.5399 16.5399 k = 0.0000 0.3302-0.0000 ( 2244 PWs) bands (ev): -42.9346 -42.9346 -19.5802 -19.5802 -18.9627 -18.9627 -18.8319 -18.8319 8.4380 8.4380 10.9575 10.9575 11.2436 11.2436 12.2435 12.2435 12.3220 12.3220 12.6082 12.6082 13.9742 13.9742 14.4347 14.4347 15.2705 15.2705 15.3046 15.3046 16.5304 16.5304 k = 0.0000 0.3396-0.0000 ( 2240 PWs) bands (ev): -42.9339 -42.9339 -19.5833 -19.5833 -18.9660 -18.9660 -18.8313 -18.8313 8.5363 8.5363 10.9572 10.9572 11.2765 11.2765 12.2409 12.2409 12.3206 12.3206 12.6159 12.6159 13.9400 13.9400 14.3840 14.3840 15.2296 15.2296 15.2635 15.2635 16.5211 16.5211 k = 0.0000 0.3491-0.0000 ( 2240 PWs) bands (ev): -42.9332 -42.9332 -19.5863 -19.5863 -18.9691 -18.9691 -18.8308 -18.8308 8.6356 8.6356 10.9539 10.9539 11.3089 11.3089 12.2385 12.2385 12.3194 12.3194 12.6235 12.6235 13.9061 13.9061 14.3309 14.3309 15.1906 15.1906 15.2243 15.2243 16.5122 16.5122 k = 0.0000 0.3585-0.0000 ( 2240 PWs) bands (ev): -42.9326 -42.9326 -19.5891 -19.5891 -18.9720 -18.9720 -18.8303 -18.8303 8.7359 8.7359 10.9472 10.9472 11.3409 11.3409 12.2362 12.2362 12.3182 12.3182 12.6308 12.6308 13.8727 13.8727 14.2758 14.2758 15.1536 15.1536 15.1870 15.1870 16.5036 16.5036 k = 0.0000 0.3679-0.0000 ( 2240 PWs) bands (ev): -42.9319 -42.9319 -19.5919 -19.5919 -18.9747 -18.9747 -18.8298 -18.8298 8.8369 8.8369 10.9369 10.9369 11.3722 11.3722 12.2340 12.2340 12.3172 12.3172 12.6379 12.6379 13.8400 13.8400 14.2195 14.2195 15.1186 15.1186 15.1518 15.1518 16.4954 16.4954 k = 0.0000 0.3774-0.0000 ( 2240 PWs) bands (ev): -42.9313 -42.9313 -19.5946 -19.5946 -18.9773 -18.9773 -18.8293 -18.8293 8.9383 8.9383 10.9228 10.9228 11.4026 11.4026 12.2318 12.2318 12.3163 12.3163 12.6446 12.6446 13.8082 13.8082 14.1626 14.1626 15.0857 15.0857 15.1187 15.1187 16.4876 16.4876 k = 0.0000 0.3868-0.0000 ( 2228 PWs) bands (ev): -42.9308 -42.9308 -19.5971 -19.5971 -18.9797 -18.9797 -18.8289 -18.8289 9.0399 9.0399 10.9046 10.9046 11.4320 11.4320 12.2298 12.2298 12.3155 12.3155 12.6510 12.6510 13.7774 13.7774 14.1060 14.1060 15.0550 15.0550 15.0878 15.0878 16.4802 16.4802 k = 0.0000 0.3962-0.0000 ( 2228 PWs) bands (ev): -42.9303 -42.9303 -19.5995 -19.5995 -18.9819 -18.9819 -18.8285 -18.8285 9.1413 9.1413 10.8822 10.8822 11.4601 11.4601 12.2280 12.2280 12.3149 12.3149 12.6571 12.6571 13.7479 13.7479 14.0503 14.0503 15.0266 15.0266 15.0591 15.0591 16.4733 16.4733 k = 0.0000 0.4057-0.0000 ( 2232 PWs) bands (ev): -42.9298 -42.9298 -19.6017 -19.6017 -18.9839 -18.9839 -18.8281 -18.8281 9.2422 9.2422 10.8552 10.8552 11.4868 11.4868 12.2262 12.2262 12.3143 12.3143 12.6627 12.6627 13.7199 13.7199 13.9964 13.9964 15.0004 15.0004 15.0328 15.0328 16.4668 16.4668 k = 0.0000 0.4151-0.0000 ( 2232 PWs) bands (ev): -42.9293 -42.9293 -19.6038 -19.6038 -18.9857 -18.9857 -18.8278 -18.8278 9.3423 9.3423 10.8238 10.8238 11.5118 11.5118 12.2245 12.2245 12.3138 12.3138 12.6680 12.6680 13.6935 13.6935 13.9451 13.9451 14.9765 14.9765 15.0087 15.0087 16.4609 16.4609 k = 0.0000 0.4245-0.0000 ( 2232 PWs) bands (ev): -42.9289 -42.9289 -19.6057 -19.6057 -18.9873 -18.9873 -18.8275 -18.8275 9.4409 9.4409 10.7879 10.7879 11.5350 11.5350 12.2230 12.2230 12.3135 12.3135 12.6727 12.6727 13.6691 13.6691 13.8971 13.8971 14.9551 14.9551 14.9871 14.9871 16.4556 16.4556 k = 0.0000 0.4340-0.0000 ( 2240 PWs) bands (ev): -42.9286 -42.9286 -19.6073 -19.6073 -18.9888 -18.9888 -18.8272 -18.8272 9.5375 9.5375 10.7477 10.7477 11.5560 11.5560 12.2217 12.2217 12.3132 12.3132 12.6770 12.6770 13.6469 13.6469 13.8530 13.8530 14.9361 14.9361 14.9679 14.9679 16.4508 16.4508 k = 0.0000 0.4434-0.0000 ( 2248 PWs) bands (ev): -42.9283 -42.9283 -19.6088 -19.6088 -18.9900 -18.9900 -18.8269 -18.8269 9.6313 9.6313 10.7035 10.7035 11.5748 11.5748 12.2204 12.2204 12.3130 12.3130 12.6808 12.6808 13.6271 13.6271 13.8136 13.8136 14.9195 14.9195 14.9512 14.9512 16.4466 16.4466 k = 0.0000 0.4528-0.0000 ( 2248 PWs) bands (ev): -42.9280 -42.9280 -19.6101 -19.6101 -18.9911 -18.9911 -18.8267 -18.8267 9.7212 9.7212 10.6562 10.6562 11.5911 11.5911 12.2194 12.2194 12.3129 12.3129 12.6840 12.6840 13.6098 13.6098 13.7793 13.7793 14.9054 14.9054 14.9370 14.9370 16.4431 16.4431 k = 0.0000 0.4623-0.0000 ( 2244 PWs) bands (ev): -42.9278 -42.9278 -19.6111 -19.6111 -18.9919 -18.9919 -18.8266 -18.8266 9.8056 9.8056 10.6072 10.6072 11.6047 11.6047 12.2185 12.2185 12.3128 12.3128 12.6867 12.6867 13.5954 13.5954 13.7506 13.7506 14.8939 14.8939 14.9254 14.9254 16.4401 16.4401 k = 0.0000 0.4717-0.0000 ( 2240 PWs) bands (ev): -42.9276 -42.9276 -19.6119 -19.6119 -18.9926 -18.9926 -18.8264 -18.8264 9.8818 9.8818 10.5586 10.5586 11.6155 11.6155 12.2178 12.2178 12.3127 12.3127 12.6888 12.6888 13.5840 13.5840 13.7279 13.7279 14.8848 14.8848 14.9163 14.9163 16.4378 16.4378 k = 0.0000 0.4811-0.0000 ( 2240 PWs) bands (ev): -42.9275 -42.9275 -19.6125 -19.6125 -18.9931 -18.9931 -18.8263 -18.8263 9.9456 9.9456 10.5147 10.5147 11.6233 11.6233 12.2173 12.2173 12.3127 12.3127 12.6904 12.6904 13.5757 13.5757 13.7115 13.7115 14.8784 14.8784 14.9098 14.9098 16.4362 16.4362 k = 0.0000 0.4906-0.0000 ( 2240 PWs) bands (ev): -42.9274 -42.9274 -19.6129 -19.6129 -18.9934 -18.9934 -18.8263 -18.8263 9.9899 9.9899 10.4824 10.4824 11.6280 11.6280 12.2170 12.2170 12.3127 12.3127 12.6913 12.6913 13.5707 13.5707 13.7015 13.7015 14.8745 14.8745 14.9059 14.9059 16.4352 16.4352 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): -42.9274 -42.9274 -19.6130 -19.6130 -18.9935 -18.9935 -18.8263 -18.8263 10.0062 10.0062 10.4701 10.4701 11.6296 11.6296 12.2169 12.2169 12.3127 12.3127 12.6916 12.6916 13.5691 13.5691 13.6982 13.6982 14.8732 14.8732 14.9046 14.9046 16.4349 16.4349 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): -42.9274 -42.9274 -19.6130 -19.6130 -18.9935 -18.9935 -18.8263 -18.8263 10.0062 10.0062 10.4701 10.4701 11.6296 11.6296 12.2169 12.2169 12.3127 12.3127 12.6916 12.6916 13.5691 13.5691 13.6982 13.6982 14.8732 14.8732 14.9046 14.9046 16.4349 16.4349 k = 0.0094 0.5000-0.0000 ( 2240 PWs) bands (ev): -42.9274 -42.9274 -19.6130 -19.6130 -18.9935 -18.9935 -18.8264 -18.8264 10.0067 10.0067 10.4709 10.4709 11.6295 11.6295 12.2164 12.2164 12.3121 12.3121 12.6901 12.6901 13.5713 13.5713 13.6974 13.6974 14.8749 14.8749 14.9062 14.9062 16.4349 16.4349 k = 0.0189 0.5000-0.0000 ( 2240 PWs) bands (ev): -42.9273 -42.9273 -19.6131 -19.6131 -18.9937 -18.9937 -18.8267 -18.8267 10.0082 10.0082 10.4734 10.4734 11.6292 11.6292 12.2150 12.2150 12.3103 12.3103 12.6856 12.6856 13.5779 13.5779 13.6951 13.6951 14.8799 14.8799 14.9109 14.9109 16.4351 16.4351 k = 0.0283 0.5000-0.0000 ( 2240 PWs) bands (ev): -42.9272 -42.9272 -19.6132 -19.6132 -18.9939 -18.9939 -18.8272 -18.8272 10.0107 10.0107 10.4775 10.4775 11.6288 11.6288 12.2127 12.2127 12.3075 12.3075 12.6781 12.6781 13.5887 13.5887 13.6914 13.6914 14.8880 14.8880 14.9190 14.9190 16.4354 16.4354 k = 0.0377 0.5000-0.0000 ( 2238 PWs) bands (ev): -42.9270 -42.9270 -19.6134 -19.6134 -18.9941 -18.9941 -18.8279 -18.8279 10.0142 10.0142 10.4831 10.4831 11.6282 11.6282 12.2095 12.2095 12.3036 12.3036 12.6678 12.6678 13.6036 13.6036 13.6865 13.6865 14.8988 14.8988 14.9303 14.9303 16.4359 16.4359 k = 0.0472 0.5000-0.0000 ( 2228 PWs) bands (ev): -42.9268 -42.9268 -19.6136 -19.6136 -18.9945 -18.9945 -18.8288 -18.8288 10.0185 10.0185 10.4902 10.4902 11.6277 11.6277 12.2057 12.2057 12.2990 12.2990 12.6549 12.6549 13.6218 13.6218 13.6810 13.6810 14.9120 14.9120 14.9453 14.9453 16.4365 16.4365 k = 0.0566 0.5000-0.0000 ( 2228 PWs) bands (ev): -42.9266 -42.9266 -19.6139 -19.6139 -18.9950 -18.9950 -18.8299 -18.8299 10.0236 10.0236 10.4986 10.4986 11.6272 11.6272 12.2012 12.2012 12.2938 12.2938 12.6394 12.6394 13.6410 13.6410 13.6771 13.6771 14.9270 14.9270 14.9638 14.9638 16.4372 16.4372 k = 0.0660 0.5000-0.0000 ( 2224 PWs) bands (ev): -42.9263 -42.9263 -19.6142 -19.6142 -18.9955 -18.9955 -18.8311 -18.8311 10.0295 10.0295 10.5082 10.5082 11.6269 11.6269 12.1963 12.1963 12.2883 12.2883 12.6215 12.6215 13.6509 13.6509 13.6851 13.6851 14.9434 14.9434 14.9859 14.9859 16.4380 16.4380 k = 0.0755 0.5000-0.0000 ( 2224 PWs) bands (ev): -42.9260 -42.9260 -19.6145 -19.6145 -18.9962 -18.9962 -18.8325 -18.8325 10.0360 10.0360 10.5187 10.5187 11.6270 11.6270 12.1909 12.1909 12.2828 12.2828 12.6016 12.6016 13.6462 13.6462 13.7100 13.7100 14.9610 14.9610 15.0114 15.0114 16.4389 16.4389 k = 0.0849 0.5000-0.0000 ( 2228 PWs) bands (ev): -42.9256 -42.9256 -19.6149 -19.6149 -18.9970 -18.9970 -18.8340 -18.8340 10.0430 10.0430 10.5301 10.5301 11.6275 11.6275 12.1849 12.1849 12.2779 12.2779 12.5798 12.5798 13.6372 13.6372 13.7416 13.7416 14.9796 14.9796 15.0400 15.0400 16.4400 16.4400 k = 0.0943 0.5000-0.0000 ( 2226 PWs) bands (ev): -42.9252 -42.9252 -19.6154 -19.6154 -18.9978 -18.9978 -18.8357 -18.8357 10.0504 10.0504 10.5420 10.5420 11.6286 11.6286 12.1783 12.1783 12.2742 12.2742 12.5562 12.5562 13.6268 13.6268 13.7769 13.7769 14.9990 14.9990 15.0715 15.0715 16.4411 16.4411 k = 0.1038 0.5000-0.0000 ( 2224 PWs) bands (ev): -42.9247 -42.9247 -19.6159 -19.6159 -18.9988 -18.9988 -18.8375 -18.8375 10.0581 10.0581 10.5543 10.5543 11.6306 11.6306 12.1708 12.1708 12.2723 12.2723 12.5313 12.5313 13.6156 13.6156 13.8149 13.8149 15.0190 15.0190 15.1055 15.1055 16.4423 16.4423 k = 0.1132 0.5000-0.0000 ( 2224 PWs) bands (ev): -42.9243 -42.9243 -19.6165 -19.6165 -18.9999 -18.9999 -18.8393 -18.8393 10.0658 10.0658 10.5666 10.5666 11.6337 11.6337 12.1621 12.1621 12.2728 12.2728 12.5052 12.5052 13.6041 13.6041 13.8554 13.8554 15.0394 15.0394 15.1417 15.1417 16.4437 16.4437 k = 0.1226 0.5000-0.0000 ( 2224 PWs) bands (ev): -42.9237 -42.9237 -19.6171 -19.6171 -19.0011 -19.0011 -18.8412 -18.8412 10.0735 10.0735 10.5788 10.5788 11.6379 11.6379 12.1521 12.1521 12.2764 12.2764 12.4783 12.4783 13.5925 13.5925 13.8980 13.8980 15.0601 15.0601 15.1800 15.1800 16.4451 16.4451 k = 0.1321 0.5000-0.0000 ( 2224 PWs) bands (ev): -42.9232 -42.9232 -19.6178 -19.6178 -19.0025 -19.0025 -18.8432 -18.8432 10.0809 10.0809 10.5906 10.5906 11.6437 11.6437 12.1407 12.1407 12.2832 12.2832 12.4509 12.4509 13.5808 13.5808 13.9423 13.9423 15.0806 15.0806 15.2199 15.2199 16.4466 16.4466 k = 0.1415 0.5000-0.0000 ( 2224 PWs) bands (ev): -42.9226 -42.9226 -19.6186 -19.6186 -19.0040 -19.0040 -18.8452 -18.8452 10.0879 10.0879 10.6017 10.6017 11.6511 11.6511 12.1280 12.1280 12.2932 12.2932 12.4237 12.4237 13.5692 13.5692 13.9883 13.9883 15.1010 15.1010 15.2614 15.2614 16.4482 16.4482 k = 0.1509 0.5000-0.0000 ( 2226 PWs) bands (ev): -42.9220 -42.9220 -19.6194 -19.6194 -19.0056 -19.0056 -18.8472 -18.8472 10.0944 10.0944 10.6119 10.6119 11.6604 11.6604 12.1140 12.1140 12.3050 12.3050 12.3985 12.3985 13.5577 13.5577 14.0357 14.0357 15.1209 15.1209 15.3042 15.3042 16.4498 16.4498 k = 0.1604 0.5000-0.0000 ( 2230 PWs) bands (ev): -42.9214 -42.9214 -19.6203 -19.6203 -19.0073 -19.0073 -18.8492 -18.8492 10.1001 10.1001 10.6210 10.6210 11.6717 11.6717 12.0990 12.0990 12.3132 12.3132 12.3810 12.3810 13.5466 13.5466 14.0842 14.0842 15.1401 15.1401 15.3480 15.3480 16.4515 16.4515 k = 0.1698 0.5000-0.0000 ( 2230 PWs) bands (ev): -42.9207 -42.9207 -19.6212 -19.6212 -19.0092 -19.0092 -18.8512 -18.8512 10.1049 10.1049 10.6288 10.6288 11.6853 11.6853 12.0830 12.0830 12.3057 12.3057 12.3838 12.3838 13.5358 13.5358 14.1337 14.1337 15.1585 15.1585 15.3928 15.3928 16.4533 16.4533 k = 0.1792 0.5000-0.0000 ( 2230 PWs) bands (ev): -42.9200 -42.9200 -19.6222 -19.6222 -19.0113 -19.0113 -18.8531 -18.8531 10.1088 10.1088 10.6353 10.6353 11.7014 11.7014 12.0664 12.0664 12.2837 12.2837 12.4056 12.4056 13.5255 13.5255 14.1840 14.1840 15.1758 15.1758 15.4382 15.4382 16.4551 16.4551 k = 0.1887 0.5000-0.0000 ( 2234 PWs) bands (ev): -42.9193 -42.9193 -19.6233 -19.6233 -19.0134 -19.0134 -18.8549 -18.8549 10.1114 10.1114 10.6402 10.6402 11.7199 11.7199 12.0491 12.0491 12.2567 12.2567 12.4373 12.4373 13.5155 13.5155 14.2349 14.2349 15.1918 15.1918 15.4842 15.4842 16.4569 16.4569 k = 0.1981 0.5000-0.0000 ( 2234 PWs) bands (ev): -42.9186 -42.9186 -19.6244 -19.6244 -19.0157 -19.0157 -18.8567 -18.8567 10.1129 10.1129 10.6436 10.6436 11.7410 11.7410 12.0314 12.0314 12.2283 12.2283 12.4755 12.4755 13.5061 13.5061 14.2862 14.2862 15.2064 15.2064 15.5306 15.5306 16.4588 16.4588 k = 0.2075 0.5000-0.0000 ( 2230 PWs) bands (ev): -42.9178 -42.9178 -19.6256 -19.6256 -19.0182 -19.0182 -18.8584 -18.8584 10.1131 10.1131 10.6455 10.6455 11.7646 11.7646 12.0134 12.0134 12.1996 12.1996 12.5191 12.5191 13.4972 13.4972 14.3379 14.3379 15.2193 15.2193 15.5771 15.5771 16.4606 16.4606 k = 0.2170 0.5000-0.0000 ( 2230 PWs) bands (ev): -42.9171 -42.9171 -19.6268 -19.6268 -19.0207 -19.0207 -18.8600 -18.8600 10.1120 10.1120 10.6458 10.6458 11.7906 11.7906 11.9954 11.9954 12.1712 12.1712 12.5676 12.5676 13.4888 13.4888 14.3897 14.3897 15.2305 15.2305 15.6238 15.6238 16.4626 16.4626 k = 0.2264 0.5000-0.0000 ( 2230 PWs) bands (ev): -42.9163 -42.9163 -19.6281 -19.6281 -19.0233 -19.0233 -18.8615 -18.8615 10.1095 10.1095 10.6447 10.6447 11.8184 11.8184 11.9776 11.9776 12.1435 12.1435 12.6209 12.6209 13.4810 13.4810 14.4414 14.4414 15.2397 15.2397 15.6704 15.6704 16.4645 16.4645 k = 0.2358 0.5000-0.0000 ( 2230 PWs) bands (ev): -42.9156 -42.9156 -19.6294 -19.6294 -19.0261 -19.0261 -18.8629 -18.8629 10.1058 10.1058 10.6423 10.6423 11.8469 11.8469 11.9610 11.9610 12.1173 12.1173 12.6785 12.6785 13.4738 13.4738 14.4929 14.4929 15.2469 15.2469 15.7167 15.7167 16.4664 16.4664 k = 0.2453 0.5000-0.0000 ( 2218 PWs) bands (ev): -42.9148 -42.9148 -19.6308 -19.6308 -19.0289 -19.0289 -18.8642 -18.8642 10.1008 10.1008 10.6387 10.6387 11.8728 11.8728 11.9478 11.9478 12.0936 12.0936 12.7403 12.7403 13.4672 13.4672 14.5440 14.5440 15.2518 15.2518 15.7627 15.7627 16.4683 16.4683 k = 0.2547 0.5000-0.0000 ( 2216 PWs) bands (ev): -42.9140 -42.9140 -19.6323 -19.6323 -19.0317 -19.0317 -18.8654 -18.8654 10.0946 10.0946 10.6339 10.6339 11.8865 11.8865 11.9452 11.9452 12.0750 12.0750 12.8060 12.8060 13.4611 13.4611 14.5946 14.5946 15.2543 15.2543 15.8083 15.8083 16.4702 16.4702 k = 0.2642 0.5000-0.0000 ( 2220 PWs) bands (ev): -42.9133 -42.9133 -19.6337 -19.6337 -19.0347 -19.0347 -18.8665 -18.8665 10.0873 10.0873 10.6282 10.6282 11.8811 11.8811 11.9537 11.9537 12.0677 12.0677 12.8753 12.8753 13.4557 13.4557 14.6445 14.6445 15.2544 15.2544 15.8532 15.8532 16.4721 16.4721 k = 0.2736 0.5000-0.0000 ( 2224 PWs) bands (ev): -42.9125 -42.9125 -19.6353 -19.6353 -19.0376 -19.0376 -18.8675 -18.8675 10.0790 10.0790 10.6216 10.6216 11.8667 11.8667 11.9547 11.9547 12.0804 12.0804 12.9480 12.9480 13.4509 13.4509 14.6935 14.6935 15.2518 15.2518 15.8974 15.8974 16.4739 16.4739 k = 0.2830 0.5000-0.0000 ( 2224 PWs) bands (ev): -42.9117 -42.9117 -19.6368 -19.6368 -19.0406 -19.0406 -18.8683 -18.8683 10.0699 10.0699 10.6143 10.6143 11.8498 11.8498 11.9431 11.9431 12.1117 12.1117 13.0237 13.0237 13.4468 13.4468 14.7414 14.7414 15.2467 15.2467 15.9408 15.9408 16.4757 16.4757 k = 0.2925 0.5000-0.0000 ( 2230 PWs) bands (ev): -42.9110 -42.9110 -19.6384 -19.6384 -19.0436 -19.0436 -18.8691 -18.8691 10.0601 10.0601 10.6065 10.6065 11.8320 11.8320 11.9252 11.9252 12.1534 12.1534 13.1021 13.1021 13.4434 13.4434 14.7881 14.7881 15.2387 15.2387 15.9833 15.9833 16.4775 16.4775 k = 0.3019 0.5000-0.0000 ( 2230 PWs) bands (ev): -42.9103 -42.9103 -19.6400 -19.6400 -19.0465 -19.0465 -18.8698 -18.8698 10.0496 10.0496 10.5983 10.5983 11.8141 11.8141 11.9051 11.9051 12.2008 12.2008 13.1828 13.1828 13.4409 13.4409 14.8333 14.8333 15.2281 15.2281 16.0246 16.0246 16.4793 16.4793 k = 0.3113 0.5000-0.0000 ( 2230 PWs) bands (ev): -42.9095 -42.9095 -19.6416 -19.6416 -19.0494 -19.0494 -18.8704 -18.8704 10.0386 10.0386 10.5897 10.5897 11.7964 11.7964 11.8844 11.8844 12.2518 12.2518 13.2651 13.2651 13.4396 13.4396 14.8770 14.8770 15.2146 15.2146 16.0649 16.0649 16.4810 16.4810 k = 0.3208 0.5000-0.0000 ( 2228 PWs) bands (ev): -42.9088 -42.9088 -19.6432 -19.6432 -19.0523 -19.0523 -18.8709 -18.8709 10.0274 10.0274 10.5809 10.5809 11.7788 11.7788 11.8639 11.8639 12.3053 12.3053 13.3472 13.3472 13.4411 13.4411 14.9187 14.9187 15.1983 15.1983 16.1039 16.1039 16.4826 16.4826 k = 0.3302 0.5000-0.0000 ( 2236 PWs) bands (ev): -42.9081 -42.9081 -19.6448 -19.6448 -19.0551 -19.0551 -18.8713 -18.8713 10.0158 10.0158 10.5720 10.5720 11.7617 11.7617 11.8440 11.8440 12.3606 12.3606 13.4131 13.4131 13.4611 13.4611 14.9584 14.9584 15.1794 15.1794 16.1415 16.1415 16.4842 16.4842 k = 0.3396 0.5000-0.0000 ( 2236 PWs) bands (ev): -42.9075 -42.9075 -19.6464 -19.6464 -19.0578 -19.0578 -18.8717 -18.8717 10.0042 10.0042 10.5632 10.5632 11.7451 11.7451 11.8248 11.8248 12.4173 12.4173 13.4279 13.4279 13.5341 13.5341 14.9957 14.9957 15.1578 15.1578 16.1777 16.1777 16.4857 16.4857 k = 0.3491 0.5000-0.0000 ( 2232 PWs) bands (ev): -42.9068 -42.9068 -19.6479 -19.6479 -19.0604 -19.0604 -18.8720 -18.8720 9.9927 9.9927 10.5544 10.5544 11.7290 11.7290 11.8064 11.8064 12.4747 12.4747 13.4312 13.4312 13.6203 13.6203 15.0303 15.0303 15.1339 15.1339 16.2123 16.2123 16.4872 16.4872 k = 0.3585 0.5000-0.0000 ( 2232 PWs) bands (ev): -42.9062 -42.9062 -19.6495 -19.6495 -19.0630 -19.0630 -18.8723 -18.8723 9.9812 9.9812 10.5458 10.5458 11.7136 11.7136 11.7891 11.7891 12.5325 12.5325 13.4338 13.4338 13.7086 13.7086 15.0607 15.0607 15.1090 15.1090 16.2453 16.2453 16.4886 16.4886 k = 0.3679 0.5000-0.0000 ( 2228 PWs) bands (ev): -42.9056 -42.9056 -19.6509 -19.6509 -19.0654 -19.0654 -18.8725 -18.8725 9.9701 9.9701 10.5375 10.5375 11.6989 11.6989 11.7727 11.7727 12.5901 12.5901 13.4370 13.4370 13.7974 13.7974 15.0693 15.0693 15.1007 15.1007 16.2766 16.2766 16.4899 16.4899 k = 0.3774 0.5000-0.0000 ( 2228 PWs) bands (ev): -42.9051 -42.9051 -19.6524 -19.6524 -19.0676 -19.0676 -18.8726 -18.8726 9.9592 9.9592 10.5295 10.5295 11.6849 11.6849 11.7574 11.7574 12.6471 12.6471 13.4412 13.4412 13.8861 13.8861 15.0425 15.0425 15.1226 15.1226 16.3061 16.3061 16.4912 16.4912 k = 0.3868 0.5000-0.0000 ( 2228 PWs) bands (ev): -42.9046 -42.9046 -19.6538 -19.6538 -19.0698 -19.0698 -18.8728 -18.8728 9.9488 9.9488 10.5218 10.5218 11.6718 11.6718 11.7431 11.7431 12.7028 12.7028 13.4466 13.4466 13.9740 13.9740 15.0102 15.0102 15.1448 15.1448 16.3337 16.3337 16.4924 16.4924 k = 0.3962 0.5000-0.0000 ( 2228 PWs) bands (ev): -42.9041 -42.9041 -19.6551 -19.6551 -19.0718 -19.0718 -18.8729 -18.8729 9.9390 9.9390 10.5146 10.5146 11.6595 11.6595 11.7299 11.7299 12.7565 12.7565 13.4535 13.4535 14.0606 14.0606 14.9759 14.9759 15.1640 15.1640 16.3594 16.3594 16.4935 16.4935 k = 0.4057 0.5000-0.0000 ( 2232 PWs) bands (ev): -42.9036 -42.9036 -19.6563 -19.6563 -19.0736 -19.0736 -18.8729 -18.8729 9.9297 9.9297 10.5079 10.5079 11.6481 11.6481 11.7178 11.7178 12.8078 12.8078 13.4619 13.4619 14.1453 14.1453 14.9404 14.9404 15.1796 15.1796 16.3831 16.3831 16.4945 16.4945 k = 0.4151 0.5000-0.0000 ( 2232 PWs) bands (ev): -42.9032 -42.9032 -19.6574 -19.6574 -19.0753 -19.0753 -18.8730 -18.8730 9.9211 9.9211 10.5017 10.5017 11.6377 11.6377 11.7068 11.7068 12.8557 12.8557 13.4720 13.4720 14.2276 14.2276 14.9044 14.9044 15.1914 15.1914 16.4047 16.4047 16.4954 16.4954 k = 0.4245 0.5000-0.0000 ( 2224 PWs) bands (ev): -42.9028 -42.9028 -19.6585 -19.6585 -19.0768 -19.0768 -18.8730 -18.8730 9.9133 9.9133 10.4960 10.4960 11.6283 11.6283 11.6969 11.6969 12.8997 12.8997 13.4839 13.4839 14.3066 14.3066 14.8684 14.8684 15.1993 15.1993 16.4241 16.4241 16.4963 16.4963 k = 0.4340 0.5000-0.0000 ( 2224 PWs) bands (ev): -42.9025 -42.9025 -19.6594 -19.6594 -19.0782 -19.0782 -18.8731 -18.8731 9.9062 9.9062 10.4910 10.4910 11.6200 11.6200 11.6882 11.6882 12.9392 12.9392 13.4972 13.4972 14.3817 14.3817 14.8331 14.8331 15.2033 15.2033 16.4414 16.4414 16.4971 16.4971 k = 0.4434 0.5000-0.0000 ( 2216 PWs) bands (ev): -42.9022 -42.9022 -19.6602 -19.6602 -19.0794 -19.0794 -18.8731 -18.8731 9.9000 9.9000 10.4865 10.4865 11.6127 11.6127 11.6807 11.6807 12.9735 12.9735 13.5118 13.5118 14.4518 14.4518 14.7995 14.7995 15.2036 15.2036 16.4564 16.4564 16.4979 16.4979 k = 0.4528 0.5000-0.0000 ( 2208 PWs) bands (ev): -42.9020 -42.9020 -19.6609 -19.6609 -19.0804 -19.0804 -18.8731 -18.8731 9.8947 9.8947 10.4827 10.4827 11.6065 11.6065 11.6742 11.6742 13.0025 13.0025 13.5269 13.5269 14.5158 14.5158 14.7684 14.7684 15.2006 15.2006 16.4691 16.4691 16.4986 16.4986 k = 0.4623 0.5000-0.0000 ( 2208 PWs) bands (ev): -42.9018 -42.9018 -19.6615 -19.6615 -19.0812 -19.0812 -18.8731 -18.8731 9.8903 9.8903 10.4796 10.4796 11.6013 11.6013 11.6690 11.6690 13.0259 13.0259 13.5417 13.5417 14.5723 14.5723 14.7410 14.7410 15.1950 15.1950 16.4793 16.4793 16.4994 16.4994 k = 0.4717 0.5000-0.0000 ( 2212 PWs) bands (ev): -42.9016 -42.9016 -19.6620 -19.6620 -19.0818 -19.0818 -18.8731 -18.8731 9.8868 9.8868 10.4771 10.4771 11.5973 11.5973 11.6649 11.6649 13.0439 13.0439 13.5549 13.5549 14.6195 14.6195 14.7183 14.7183 15.1880 15.1880 16.4869 16.4869 16.5003 16.5003 k = 0.4811 0.5000-0.0000 ( 2212 PWs) bands (ev): -42.9015 -42.9015 -19.6623 -19.6623 -19.0823 -19.0823 -18.8731 -18.8731 9.8844 9.8844 10.4754 10.4754 11.5945 11.5945 11.6619 11.6619 13.0565 13.0565 13.5655 13.5655 14.6552 14.6552 14.7015 14.7015 15.1810 15.1810 16.4918 16.4918 16.5016 16.5016 k = 0.4906 0.5000-0.0000 ( 2216 PWs) bands (ev): -42.9014 -42.9014 -19.6625 -19.6625 -19.0826 -19.0826 -18.8731 -18.8731 9.8829 9.8829 10.4743 10.4743 11.5927 11.5927 11.6602 11.6602 13.0640 13.0640 13.5723 13.5723 14.6759 14.6759 14.6929 14.6929 15.1758 15.1758 16.4941 16.4941 16.5030 16.5030 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): -42.9014 -42.9014 -19.6626 -19.6626 -19.0827 -19.0827 -18.8731 -18.8731 9.8824 9.8824 10.4740 10.4740 11.5922 11.5922 11.6596 11.6596 13.0665 13.0665 13.5747 13.5747 14.6800 14.6800 14.6930 14.6930 15.1739 15.1739 16.4948 16.4948 16.5036 16.5036 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): -42.9014 -42.9014 -19.6626 -19.6626 -19.0827 -19.0827 -18.8731 -18.8731 9.8824 9.8824 10.4740 10.4740 11.5922 11.5922 11.6596 11.6596 13.0665 13.0665 13.5747 13.5747 14.6800 14.6800 14.6930 14.6930 15.1739 15.1739 16.4948 16.4948 16.5036 16.5036 k = 0.4932 0.4932-0.0000 ( 2216 PWs) bands (ev): -42.9014 -42.9014 -19.6625 -19.6625 -19.0826 -19.0826 -18.8731 -18.8731 9.8829 9.8829 10.4743 10.4743 11.5928 11.5928 11.6602 11.6602 13.0640 13.0640 13.5722 13.5722 14.6774 14.6774 14.6913 14.6913 15.1759 15.1759 16.4941 16.4941 16.5030 16.5030 k = 0.4865 0.4865-0.0000 ( 2216 PWs) bands (ev): -42.9015 -42.9015 -19.6623 -19.6623 -19.0823 -19.0823 -18.8731 -18.8731 9.8844 9.8844 10.4754 10.4754 11.5945 11.5945 11.6620 11.6620 13.0564 13.0564 13.5648 13.5648 14.6654 14.6654 14.6909 14.6909 15.1815 15.1815 16.4915 16.4915 16.5018 16.5018 k = 0.4797 0.4797-0.0000 ( 2206 PWs) bands (ev): -42.9016 -42.9016 -19.6620 -19.6620 -19.0818 -19.0818 -18.8731 -18.8731 9.8868 9.8868 10.4773 10.4773 11.5974 11.5974 11.6651 11.6651 13.0439 13.0439 13.5524 13.5524 14.6431 14.6431 14.6940 14.6940 15.1896 15.1896 16.4859 16.4859 16.5011 16.5011 k = 0.4730 0.4730-0.0000 ( 2206 PWs) bands (ev): -42.9018 -42.9018 -19.6615 -19.6615 -19.0811 -19.0811 -18.8731 -18.8731 9.8902 9.8902 10.4799 10.4799 11.6013 11.6013 11.6694 11.6694 13.0267 13.0267 13.5347 13.5347 14.6137 14.6137 14.6991 14.6991 15.1989 15.1989 16.4773 16.4773 16.5010 16.5010 k = 0.4662 0.4662-0.0000 ( 2210 PWs) bands (ev): -42.9020 -42.9020 -19.6609 -19.6609 -19.0803 -19.0803 -18.8731 -18.8731 9.8942 9.8942 10.4833 10.4833 11.6063 11.6063 11.6751 11.6751 13.0049 13.0049 13.5115 13.5115 14.5798 14.5798 14.7056 14.7056 15.2081 15.2081 16.4658 16.4658 16.5012 16.5012 k = 0.4595 0.4595-0.0000 ( 2218 PWs) bands (ev): -42.9022 -42.9022 -19.6601 -19.6601 -19.0793 -19.0793 -18.8731 -18.8731 9.8987 9.8987 10.4875 10.4875 11.6121 11.6121 11.6823 11.6823 12.9790 12.9790 13.4827 13.4827 14.5431 14.5431 14.7131 14.7131 15.2162 15.2162 16.4518 16.4518 16.5018 16.5018 k = 0.4527 0.4527-0.0000 ( 2218 PWs) bands (ev): -42.9025 -42.9025 -19.6592 -19.6592 -19.0780 -19.0780 -18.8731 -18.8731 9.9036 9.9036 10.4926 10.4926 11.6187 11.6187 11.6909 11.6909 12.9491 12.9491 13.4479 13.4479 14.5054 14.5054 14.7214 14.7214 15.2225 15.2225 16.4354 16.4354 16.5025 16.5025 k = 0.4459 0.4459-0.0000 ( 2218 PWs) bands (ev): -42.9029 -42.9029 -19.6582 -19.6582 -19.0766 -19.0766 -18.8731 -18.8731 9.9084 9.9084 10.4987 10.4987 11.6260 11.6260 11.7011 11.7011 12.9156 12.9156 13.4072 13.4072 14.4681 14.4681 14.7302 14.7302 15.2265 15.2265 16.4166 16.4166 16.5034 16.5034 k = 0.4392 0.4392-0.0000 ( 2220 PWs) bands (ev): -42.9033 -42.9033 -19.6571 -19.6571 -19.0750 -19.0750 -18.8731 -18.8731 9.9130 9.9130 10.5058 10.5058 11.6338 11.6338 11.7129 11.7129 12.8788 12.8788 13.3606 13.3606 14.4324 14.4324 14.7393 14.7393 15.2278 15.2278 16.3956 16.3956 16.5044 16.5044 k = 0.4324 0.4324-0.0000 ( 2220 PWs) bands (ev): -42.9037 -42.9037 -19.6558 -19.6558 -19.0733 -19.0733 -18.8731 -18.8731 9.9169 9.9169 10.5141 10.5141 11.6422 11.6422 11.7264 11.7264 12.8392 12.8392 13.3084 13.3084 14.3989 14.3989 14.7485 14.7485 15.2263 15.2263 16.3725 16.3725 16.5056 16.5056 k = 0.4257 0.4257-0.0000 ( 2224 PWs) bands (ev): -42.9042 -42.9042 -19.6544 -19.6544 -19.0713 -19.0713 -18.8731 -18.8731 9.9196 9.9196 10.5236 10.5236 11.6510 11.6510 11.7414 11.7414 12.7969 12.7969 13.2510 13.2510 14.3684 14.3684 14.7576 14.7576 15.2221 15.2221 16.3475 16.3475 16.5069 16.5069 k = 0.4189 0.4189-0.0000 ( 2224 PWs) bands (ev): -42.9047 -42.9047 -19.6529 -19.6529 -19.0692 -19.0692 -18.8731 -18.8731 9.9209 9.9209 10.5345 10.5345 11.6603 11.6603 11.7581 11.7581 12.7523 12.7523 13.1891 13.1891 14.3410 14.3410 14.7664 14.7664 15.2151 15.2151 16.3207 16.3207 16.5084 16.5084 k = 0.4122 0.4122-0.0000 ( 2224 PWs) bands (ev): -42.9053 -42.9053 -19.6512 -19.6512 -19.0669 -19.0669 -18.8730 -18.8730 9.9200 9.9200 10.5469 10.5469 11.6699 11.6699 11.7763 11.7763 12.7057 12.7057 13.1234 13.1234 14.3169 14.3169 14.7747 14.7747 15.2056 15.2056 16.2923 16.2923 16.5101 16.5101 k = 0.4054 0.4054-0.0000 ( 2224 PWs) bands (ev): -42.9059 -42.9059 -19.6494 -19.6494 -19.0644 -19.0644 -18.8730 -18.8730 9.9166 9.9166 10.5608 10.5608 11.6800 11.6800 11.7960 11.7960 12.6574 12.6574 13.0550 13.0550 14.2961 14.2961 14.7825 14.7825 15.1936 15.1936 16.2624 16.2624 16.5118 16.5118 k = 0.3986 0.3986-0.0000 ( 2232 PWs) bands (ev): -42.9065 -42.9065 -19.6476 -19.6476 -19.0618 -19.0618 -18.8730 -18.8730 9.9101 9.9101 10.5763 10.5763 11.6905 11.6905 11.8170 11.8170 12.6076 12.6076 12.9847 12.9847 14.2785 14.2785 14.7897 14.7897 15.1795 15.1795 16.2313 16.2313 16.5138 16.5138 k = 0.3919 0.3919-0.0000 ( 2228 PWs) bands (ev): -42.9072 -42.9072 -19.6456 -19.6456 -19.0590 -19.0590 -18.8729 -18.8729 9.9000 9.9000 10.5936 10.5936 11.7013 11.7013 11.8393 11.8393 12.5565 12.5565 12.9135 12.9135 14.2640 14.2640 14.7962 14.7962 15.1634 15.1634 16.1990 16.1990 16.5159 16.5159 k = 0.3851 0.3851-0.0000 ( 2220 PWs) bands (ev): -42.9079 -42.9079 -19.6435 -19.6435 -19.0561 -19.0561 -18.8729 -18.8729 9.8859 9.8859 10.6124 10.6124 11.7126 11.7126 11.8626 11.8626 12.5044 12.5044 12.8425 12.8425 14.2522 14.2522 14.8020 14.8020 15.1456 15.1456 16.1658 16.1658 16.5181 16.5181 k = 0.3784 0.3784-0.0000 ( 2220 PWs) bands (ev): -42.9087 -42.9087 -19.6413 -19.6413 -19.0530 -19.0530 -18.8728 -18.8728 9.8672 9.8672 10.6329 10.6329 11.7243 11.7243 11.8870 11.8870 12.4515 12.4515 12.7726 12.7726 14.2432 14.2432 14.8070 14.8070 15.1263 15.1263 16.1318 16.1318 16.5205 16.5205 k = 0.3716 0.3716-0.0000 ( 2226 PWs) bands (ev): -42.9095 -42.9095 -19.6389 -19.6389 -19.0497 -19.0497 -18.8727 -18.8727 9.8437 9.8437 10.6549 10.6549 11.7364 11.7364 11.9121 11.9121 12.3981 12.3981 12.7046 12.7046 14.2367 14.2367 14.8113 14.8113 15.1059 15.1059 16.0973 16.0973 16.5231 16.5231 k = 0.3649 0.3649-0.0000 ( 2226 PWs) bands (ev): -42.9103 -42.9103 -19.6365 -19.6365 -19.0463 -19.0463 -18.8726 -18.8726 9.8150 9.8150 10.6781 10.6781 11.7488 11.7488 11.9377 11.9377 12.3445 12.3445 12.6394 12.6394 14.2326 14.2326 14.8148 14.8148 15.0845 15.0845 16.0625 16.0625 16.5259 16.5259 k = 0.3581 0.3581-0.0000 ( 2226 PWs) bands (ev): -42.9112 -42.9112 -19.6340 -19.6340 -19.0427 -19.0427 -18.8725 -18.8725 9.7809 9.7809 10.7024 10.7024 11.7617 11.7617 11.9635 11.9635 12.2911 12.2911 12.5776 12.5776 14.2309 14.2309 14.8176 14.8176 15.0626 15.0626 16.0276 16.0276 16.5288 16.5288 k = 0.3514 0.3514-0.0000 ( 2236 PWs) bands (ev): -42.9120 -42.9120 -19.6314 -19.6314 -19.0391 -19.0391 -18.8724 -18.8724 9.7413 9.7413 10.7275 10.7275 11.7748 11.7748 11.9888 11.9888 12.2384 12.2384 12.5198 12.5198 14.2315 14.2315 14.8197 14.8197 15.0403 15.0403 15.9928 15.9928 16.5319 16.5319 k = 0.3446 0.3446-0.0000 ( 2232 PWs) bands (ev): -42.9130 -42.9130 -19.6288 -19.6288 -19.0352 -19.0352 -18.8722 -18.8722 9.6961 9.6961 10.7531 10.7531 11.7883 11.7883 12.0122 12.0122 12.1879 12.1879 12.4667 12.4667 14.2343 14.2343 14.8211 14.8211 15.0179 15.0179 15.9583 15.9583 16.5351 16.5351 k = 0.3378 0.3378-0.0000 ( 2230 PWs) bands (ev): -42.9139 -42.9139 -19.6260 -19.6260 -19.0313 -19.0313 -18.8721 -18.8721 9.6454 9.6454 10.7790 10.7790 11.8020 11.8020 12.0291 12.0291 12.1439 12.1439 12.4186 12.4186 14.2393 14.2393 14.8219 14.8219 14.9959 14.9959 15.9244 15.9244 16.5386 16.5386 k = 0.3311 0.3311-0.0000 ( 2230 PWs) bands (ev): -42.9149 -42.9149 -19.6232 -19.6232 -19.0272 -19.0272 -18.8719 -18.8719 9.5893 9.5893 10.8047 10.8047 11.8159 11.8159 12.0255 12.0255 12.1203 12.1203 12.3763 12.3763 14.2465 14.2465 14.8220 14.8220 14.9743 14.9743 15.8913 15.8913 16.5422 16.5422 k = 0.3243 0.3243-0.0000 ( 2240 PWs) bands (ev): -42.9159 -42.9159 -19.6203 -19.6203 -19.0230 -19.0230 -18.8717 -18.8717 9.5280 9.5280 10.8299 10.8299 11.8296 11.8296 11.9927 11.9927 12.1250 12.1250 12.3405 12.3405 14.2559 14.2559 14.8216 14.8216 14.9537 14.9537 15.8592 15.8592 16.5460 16.5460 k = 0.3176 0.3176-0.0000 ( 2236 PWs) bands (ev): -42.9169 -42.9169 -19.6173 -19.6173 -19.0188 -19.0188 -18.8714 -18.8714 9.4618 9.4618 10.8543 10.8543 11.8423 11.8423 11.9482 11.9482 12.1402 12.1402 12.3126 12.3126 14.2673 14.2673 14.8207 14.8207 14.9343 14.9343 15.8283 15.8283 16.5500 16.5500 k = 0.3108 0.3108-0.0000 ( 2236 PWs) bands (ev): -42.9179 -42.9179 -19.6143 -19.6143 -19.0144 -19.0144 -18.8712 -18.8712 9.3910 9.3910 10.8776 10.8776 11.8497 11.8497 11.9059 11.9059 12.1540 12.1540 12.2947 12.2947 14.2808 14.2808 14.8193 14.8193 14.9165 14.9165 15.7990 15.7990 16.5542 16.5542 k = 0.3041 0.3041-0.0000 ( 2234 PWs) bands (ev): -42.9190 -42.9190 -19.6112 -19.6112 -19.0099 -19.0099 -18.8709 -18.8709 9.3161 9.3161 10.8994 10.8994 11.8293 11.8293 11.8906 11.8906 12.1611 12.1611 12.2894 12.2894 14.2961 14.2961 14.8175 14.8175 14.9006 14.9006 15.7714 15.7714 16.5585 16.5585 k = 0.2973 0.2973-0.0000 ( 2246 PWs) bands (ev): -42.9201 -42.9201 -19.6081 -19.6081 -19.0053 -19.0053 -18.8706 -18.8706 9.2375 9.2375 10.9194 10.9194 11.7844 11.7844 11.8998 11.8998 12.1604 12.1604 12.2967 12.2967 14.3132 14.3132 14.8154 14.8154 14.8871 14.8871 15.7457 15.7457 16.5631 16.5631 k = 0.2905 0.2905-0.0000 ( 2246 PWs) bands (ev): -42.9211 -42.9211 -19.6049 -19.6049 -19.0007 -19.0007 -18.8703 -18.8703 9.1556 9.1556 10.9375 10.9375 11.7352 11.7352 11.9137 11.9137 12.1552 12.1552 12.3125 12.3125 14.3316 14.3316 14.8131 14.8131 14.8764 14.8764 15.7223 15.7223 16.5678 16.5678 k = 0.2838 0.2838-0.0000 ( 2246 PWs) bands (ev): -42.9222 -42.9222 -19.6017 -19.6017 -18.9959 -18.9959 -18.8699 -18.8699 9.0709 9.0709 10.9533 10.9533 11.6854 11.6854 11.9287 11.9287 12.1490 12.1490 12.3327 12.3327 14.3510 14.3510 14.8107 14.8107 14.8690 14.8690 15.7013 15.7013 16.5727 16.5727 k = 0.2770 0.2770-0.0000 ( 2238 PWs) bands (ev): -42.9234 -42.9234 -19.5985 -19.5985 -18.9912 -18.9912 -18.8695 -18.8695 8.9839 8.9839 10.9668 10.9668 11.6358 11.6358 11.9443 11.9443 12.1440 12.1440 12.3547 12.3547 14.3710 14.3710 14.8082 14.8082 14.8655 14.8655 15.6829 15.6829 16.5778 16.5778 k = 0.2703 0.2703-0.0000 ( 2234 PWs) bands (ev): -42.9245 -42.9245 -19.5952 -19.5952 -18.9863 -18.9863 -18.8691 -18.8691 8.8950 8.8950 10.9776 10.9776 11.5866 11.5866 11.9600 11.9600 12.1408 12.1408 12.3772 12.3772 14.3909 14.3909 14.8058 14.8058 14.8667 14.8667 15.6674 15.6674 16.5830 16.5830 k = 0.2635 0.2635-0.0000 ( 2233 PWs) bands (ev): -42.9256 -42.9256 -19.5920 -19.5920 -18.9814 -18.9814 -18.8687 -18.8687 8.8046 8.8046 10.9859 10.9859 11.5380 11.5380 11.9759 11.9759 12.1399 12.1399 12.3992 12.3992 14.4100 14.4100 14.8034 14.8034 14.8734 14.8734 15.6550 15.6550 16.5885 16.5885 k = 0.2568 0.2568-0.0000 ( 2241 PWs) bands (ev): -42.9268 -42.9268 -19.5887 -19.5887 -18.9765 -18.9765 -18.8682 -18.8682 8.7131 8.7131 10.9914 10.9914 11.4901 11.4901 11.9917 11.9917 12.1412 12.1412 12.4204 12.4204 14.4277 14.4277 14.8007 14.8007 14.8865 14.8865 15.6459 15.6459 16.5940 16.5940 k = 0.2500 0.2500-0.0000 ( 2241 PWs) bands (ev): -42.9279 -42.9279 -19.5854 -19.5854 -18.9715 -18.9715 -18.8677 -18.8677 8.6210 8.6210 10.9943 10.9943 11.4429 11.4429 12.0075 12.0075 12.1445 12.1445 12.4404 12.4404 14.4436 14.4436 14.7977 14.7977 14.9065 14.9065 15.6401 15.6401 16.5998 16.5998 k = 0.2432 0.2432-0.0000 ( 2241 PWs) bands (ev): -42.9290 -42.9290 -19.5821 -19.5821 -18.9666 -18.9666 -18.8672 -18.8672 8.5285 8.5285 10.9945 10.9945 11.3966 11.3966 12.0232 12.0232 12.1497 12.1497 12.4590 12.4590 14.4574 14.4574 14.7946 14.7946 14.9337 14.9337 15.6379 15.6379 16.6057 16.6057 k = 0.2365 0.2365-0.0000 ( 2233 PWs) bands (ev): -42.9302 -42.9302 -19.5788 -19.5788 -18.9616 -18.9616 -18.8667 -18.8667 8.4360 8.4360 10.9922 10.9922 11.3512 11.3512 12.0387 12.0387 12.1564 12.1564 12.4759 12.4759 14.4690 14.4690 14.7913 14.7913 14.9678 14.9678 15.6394 15.6394 16.6117 16.6117 k = 0.2297 0.2297-0.0000 ( 2237 PWs) bands (ev): -42.9313 -42.9313 -19.5756 -19.5756 -18.9566 -18.9566 -18.8661 -18.8661 8.3438 8.3438 10.9875 10.9875 11.3067 11.3067 12.0540 12.0540 12.1645 12.1645 12.4910 12.4910 14.4788 14.4788 14.7880 14.7880 15.0084 15.0084 15.6446 15.6446 16.6178 16.6178 k = 0.2230 0.2230-0.0000 ( 2237 PWs) bands (ev): -42.9325 -42.9325 -19.5723 -19.5723 -18.9516 -18.9516 -18.8655 -18.8655 8.2522 8.2522 10.9804 10.9804 11.2632 11.2632 12.0691 12.0691 12.1737 12.1737 12.5043 12.5043 14.4870 14.4870 14.7845 14.7845 15.0551 15.0551 15.6536 15.6536 16.6241 16.6241 k = 0.2162 0.2162-0.0000 ( 2237 PWs) bands (ev): -42.9336 -42.9336 -19.5691 -19.5691 -18.9466 -18.9466 -18.8649 -18.8649 8.1615 8.1615 10.9713 10.9713 11.2206 11.2206 12.0840 12.0840 12.1836 12.1836 12.5157 12.5157 14.4942 14.4942 14.7811 14.7811 15.1071 15.1071 15.6664 15.6664 16.6305 16.6305 k = 0.2095 0.2095-0.0000 ( 2239 PWs) bands (ev): -42.9347 -42.9347 -19.5659 -19.5659 -18.9416 -18.9416 -18.8643 -18.8643 8.0718 8.0718 10.9601 10.9601 11.1792 11.1792 12.0985 12.0985 12.1942 12.1942 12.5251 12.5251 14.5007 14.5007 14.7777 14.7777 15.1637 15.1637 15.6830 15.6830 16.6370 16.6370 k = 0.2027 0.2027-0.0000 ( 2243 PWs) bands (ev): -42.9358 -42.9358 -19.5628 -19.5628 -18.9367 -18.9367 -18.8636 -18.8636 7.9833 7.9833 10.9472 10.9472 11.1387 11.1387 12.1128 12.1128 12.2051 12.2051 12.5327 12.5327 14.5069 14.5069 14.7743 14.7743 15.2242 15.2242 15.7034 15.7034 16.6435 16.6435 k = 0.1959 0.1959-0.0000 ( 2243 PWs) bands (ev): -42.9369 -42.9369 -19.5597 -19.5597 -18.9318 -18.9318 -18.8629 -18.8629 7.8964 7.8964 10.9328 10.9328 11.0994 11.0994 12.1268 12.1268 12.2162 12.2162 12.5383 12.5383 14.5130 14.5130 14.7710 14.7710 15.2882 15.2882 15.7273 15.7273 16.6502 16.6502 k = 0.1892 0.1892-0.0000 ( 2237 PWs) bands (ev): -42.9380 -42.9380 -19.5566 -19.5566 -18.9270 -18.9270 -18.8623 -18.8623 7.8111 7.8111 10.9169 10.9169 11.0613 11.0613 12.1405 12.1405 12.2274 12.2274 12.5422 12.5422 14.5193 14.5193 14.7678 14.7678 15.3549 15.3549 15.7548 15.7548 16.6568 16.6568 k = 0.1824 0.1824-0.0000 ( 2233 PWs) bands (ev): -42.9391 -42.9391 -19.5536 -19.5536 -18.9222 -18.9222 -18.8616 -18.8616 7.7277 7.7277 10.8999 10.8999 11.0242 11.0242 12.1538 12.1538 12.2385 12.2385 12.5443 12.5443 14.5259 14.5259 14.7646 14.7646 15.4239 15.4239 15.7857 15.7857 16.6635 16.6635 k = 0.1757 0.1757-0.0000 ( 2233 PWs) bands (ev): -42.9401 -42.9401 -19.5507 -19.5507 -18.9175 -18.9175 -18.8608 -18.8608 7.6462 7.6462 10.8818 10.8818 10.9884 10.9884 12.1668 12.1668 12.2493 12.2493 12.5448 12.5448 14.5329 14.5329 14.7616 14.7616 15.4947 15.4947 15.8197 15.8197 16.6703 16.6703 k = 0.1689 0.1689-0.0000 ( 2237 PWs) bands (ev): -42.9411 -42.9411 -19.5478 -19.5478 -18.9129 -18.9129 -18.8601 -18.8601 7.5669 7.5669 10.8629 10.8629 10.9537 10.9537 12.1794 12.1794 12.2598 12.2598 12.5439 12.5439 14.5404 14.5404 14.7587 14.7587 15.5668 15.5668 15.8567 15.8567 16.6770 16.6770 k = 0.1622 0.1622-0.0000 ( 2233 PWs) bands (ev): -42.9421 -42.9421 -19.5450 -19.5450 -18.9084 -18.9084 -18.8594 -18.8594 7.4898 7.4898 10.8434 10.8434 10.9203 10.9203 12.1916 12.1916 12.2698 12.2698 12.5416 12.5416 14.5484 14.5484 14.7558 14.7558 15.6398 15.6398 15.8964 15.8964 16.6837 16.6837 k = 0.1554 0.1554-0.0000 ( 2229 PWs) bands (ev): -42.9431 -42.9431 -19.5423 -19.5423 -18.9039 -18.9039 -18.8587 -18.8587 7.4151 7.4151 10.8234 10.8234 10.8880 10.8880 12.2033 12.2033 12.2794 12.2794 12.5382 12.5382 14.5568 14.5568 14.7531 14.7531 15.7132 15.7132 15.9386 15.9386 16.6903 16.6903 k = 0.1486 0.1486-0.0000 ( 2229 PWs) bands (ev): -42.9440 -42.9440 -19.5396 -19.5396 -18.8996 -18.8996 -18.8580 -18.8580 7.3429 7.3429 10.8032 10.8032 10.8571 10.8571 12.2146 12.2146 12.2885 12.2885 12.5338 12.5338 14.5656 14.5656 14.7505 14.7505 15.7866 15.7866 15.9829 15.9829 16.6969 16.6969 k = 0.1419 0.1419-0.0000 ( 2225 PWs) bands (ev): -42.9450 -42.9450 -19.5371 -19.5371 -18.8954 -18.8954 -18.8572 -18.8572 7.2732 7.2732 10.7827 10.7827 10.8274 10.8274 12.2255 12.2255 12.2969 12.2969 12.5285 12.5285 14.5749 14.5749 14.7481 14.7481 15.8596 15.8596 16.0291 16.0291 16.7035 16.7035 k = 0.1351 0.1351-0.0000 ( 2219 PWs) bands (ev): -42.9459 -42.9459 -19.5346 -19.5346 -18.8913 -18.8913 -18.8565 -18.8565 7.2063 7.2063 10.7623 10.7623 10.7990 10.7990 12.2358 12.2358 12.3047 12.3047 12.5227 12.5227 14.5844 14.5844 14.7458 14.7458 15.9318 15.9318 16.0770 16.0770 16.7099 16.7099 k = 0.1284 0.1284-0.0000 ( 2219 PWs) bands (ev): -42.9467 -42.9467 -19.5322 -19.5322 -18.8874 -18.8874 -18.8558 -18.8558 7.1421 7.1421 10.7421 10.7421 10.7719 10.7719 12.2457 12.2457 12.3119 12.3119 12.5164 12.5164 14.5943 14.5943 14.7436 14.7436 16.0028 16.0028 16.1261 16.1261 16.7162 16.7162 k = 0.1216 0.1216-0.0000 ( 2221 PWs) bands (ev): -42.9475 -42.9475 -19.5300 -19.5300 -18.8836 -18.8836 -18.8551 -18.8551 7.0808 7.0808 10.7221 10.7221 10.7461 10.7461 12.2550 12.2550 12.3184 12.3184 12.5098 12.5098 14.6043 14.6043 14.7415 14.7415 16.0723 16.0723 16.1761 16.1761 16.7224 16.7224 k = 0.1149 0.1149-0.0000 ( 2221 PWs) bands (ev): -42.9483 -42.9483 -19.5278 -19.5278 -18.8800 -18.8800 -18.8544 -18.8544 7.0224 7.0224 10.7025 10.7025 10.7216 10.7216 12.2638 12.2638 12.3241 12.3241 12.5031 12.5031 14.6144 14.6144 14.7395 14.7395 16.1399 16.1399 16.2267 16.2267 16.7284 16.7284 k = 0.1081 0.1081-0.0000 ( 2217 PWs) bands (ev): -42.9491 -42.9491 -19.5257 -19.5257 -18.8765 -18.8765 -18.8538 -18.8538 6.9670 6.9670 10.6835 10.6835 10.6985 10.6985 12.2720 12.2720 12.3291 12.3291 12.4965 12.4965 14.6245 14.6245 14.7377 14.7377 16.2051 16.2051 16.2777 16.2777 16.7342 16.7342 k = 0.1014 0.1014-0.0000 ( 2215 PWs) bands (ev): -42.9498 -42.9498 -19.5238 -19.5238 -18.8732 -18.8732 -18.8531 -18.8531 6.9147 6.9147 10.6651 10.6651 10.6767 10.6767 12.2796 12.2796 12.3332 12.3332 12.4902 12.4902 14.6345 14.6345 14.7360 14.7360 16.2677 16.2677 16.3285 16.3285 16.7398 16.7398 k = 0.0946 0.0946-0.0000 ( 2223 PWs) bands (ev): -42.9505 -42.9505 -19.5219 -19.5219 -18.8701 -18.8701 -18.8525 -18.8525 6.8654 6.8654 10.6474 10.6474 10.6563 10.6563 12.2867 12.2867 12.3365 12.3365 12.4843 12.4843 14.6444 14.6444 14.7345 14.7345 16.3274 16.3274 16.3790 16.3790 16.7452 16.7452 k = 0.0878 0.0878-0.0000 ( 2223 PWs) bands (ev): -42.9511 -42.9511 -19.5202 -19.5202 -18.8671 -18.8671 -18.8519 -18.8519 6.8194 6.8194 10.6306 10.6306 10.6372 10.6372 12.2932 12.2932 12.3390 12.3390 12.4790 12.4790 14.6541 14.6541 14.7330 14.7330 16.3838 16.3838 16.4285 16.4285 16.7505 16.7505 k = 0.0811 0.0811-0.0000 ( 2223 PWs) bands (ev): -42.9517 -42.9517 -19.5186 -19.5186 -18.8643 -18.8643 -18.8514 -18.8514 6.7765 6.7765 10.6146 10.6146 10.6195 10.6195 12.2991 12.2991 12.3406 12.3406 12.4743 12.4743 14.6634 14.6634 14.7317 14.7317 16.4369 16.4369 16.4767 16.4767 16.7554 16.7554 k = 0.0743 0.0743-0.0000 ( 2223 PWs) bands (ev): -42.9522 -42.9522 -19.5171 -19.5171 -18.8618 -18.8618 -18.8508 -18.8508 6.7370 6.7370 10.5997 10.5997 10.6032 10.6032 12.3045 12.3045 12.3414 12.3414 12.4703 12.4703 14.6723 14.6723 14.7305 14.7305 16.4864 16.4864 16.5230 16.5230 16.7602 16.7602 k = 0.0676 0.0676-0.0000 ( 2223 PWs) bands (ev): -42.9528 -42.9528 -19.5157 -19.5157 -18.8594 -18.8594 -18.8504 -18.8504 6.7007 6.7007 10.5859 10.5859 10.5883 10.5883 12.3093 12.3093 12.3415 12.3415 12.4671 12.4671 14.6807 14.6807 14.7295 14.7295 16.5324 16.5324 16.5668 16.5668 16.7648 16.7648 k = 0.0608 0.0608-0.0000 ( 2219 PWs) bands (ev): -42.9532 -42.9532 -19.5145 -19.5145 -18.8573 -18.8573 -18.8499 -18.8499 6.6678 6.6678 10.5731 10.5731 10.5748 10.5748 12.3136 12.3136 12.3410 12.3410 12.4646 12.4646 14.6885 14.6885 14.7285 14.7285 16.5748 16.5748 16.6075 16.6075 16.7692 16.7692 k = 0.0541 0.0541-0.0000 ( 2227 PWs) bands (ev): -42.9536 -42.9536 -19.5134 -19.5134 -18.8553 -18.8553 -18.8495 -18.8495 6.6383 6.6383 10.5616 10.5616 10.5627 10.5627 12.3174 12.3174 12.3400 12.3400 12.4627 12.4627 14.6957 14.6957 14.7276 14.7276 16.6134 16.6134 16.6445 16.6445 16.7735 16.7735 k = 0.0473 0.0473-0.0000 ( 2235 PWs) bands (ev): -42.9540 -42.9540 -19.5124 -19.5124 -18.8536 -18.8536 -18.8491 -18.8491 6.6121 6.6121 10.5513 10.5513 10.5520 10.5520 12.3207 12.3207 12.3386 12.3386 12.4614 12.4614 14.7022 14.7022 14.7269 14.7269 16.6482 16.6482 16.6774 16.6774 16.7779 16.7779 k = 0.0405 0.0405-0.0000 ( 2237 PWs) bands (ev): -42.9543 -42.9543 -19.5115 -19.5115 -18.8521 -18.8521 -18.8488 -18.8488 6.5895 6.5895 10.5423 10.5423 10.5427 10.5427 12.3235 12.3235 12.3371 12.3371 12.4605 12.4605 14.7080 14.7080 14.7262 14.7262 16.6788 16.6788 16.7056 16.7056 16.7827 16.7827 k = 0.0338 0.0338-0.0000 ( 2235 PWs) bands (ev): -42.9546 -42.9546 -19.5108 -19.5108 -18.8508 -18.8508 -18.8485 -18.8485 6.5702 6.5702 10.5346 10.5346 10.5349 10.5349 12.3259 12.3259 12.3355 12.3355 12.4600 12.4600 14.7129 14.7129 14.7257 14.7257 16.7051 16.7051 16.7283 16.7283 16.7882 16.7882 k = 0.0270 0.0270-0.0000 ( 2235 PWs) bands (ev): -42.9548 -42.9548 -19.5102 -19.5102 -18.8498 -18.8498 -18.8483 -18.8483 6.5544 6.5544 10.5283 10.5283 10.5284 10.5284 12.3278 12.3278 12.3341 12.3341 12.4597 12.4597 14.7171 14.7171 14.7253 14.7253 16.7269 16.7269 16.7451 16.7451 16.7948 16.7948 k = 0.0203 0.0203-0.0000 ( 2231 PWs) bands (ev): -42.9550 -42.9550 -19.5097 -19.5097 -18.8489 -18.8489 -18.8481 -18.8481 6.5422 6.5422 10.5233 10.5233 10.5234 10.5234 12.3292 12.3292 12.3328 12.3328 12.4595 12.4595 14.7203 14.7203 14.7249 14.7249 16.7441 16.7441 16.7560 16.7560 16.8023 16.8023 k = 0.0135 0.0135-0.0000 ( 2219 PWs) bands (ev): -42.9551 -42.9551 -19.5094 -19.5094 -18.8484 -18.8484 -18.8480 -18.8480 6.5334 6.5334 10.5198 10.5198 10.5198 10.5198 12.3303 12.3303 12.3319 12.3319 12.4595 12.4595 14.7226 14.7226 14.7247 14.7247 16.7565 16.7565 16.7623 16.7623 16.8093 16.8093 k = 0.0068 0.0068-0.0000 ( 2205 PWs) bands (ev): -42.9552 -42.9552 -19.5092 -19.5092 -18.8480 -18.8480 -18.8479 -18.8479 6.5281 6.5281 10.5177 10.5177 10.5177 10.5177 12.3309 12.3309 12.3313 12.3313 12.4595 12.4595 14.7240 14.7240 14.7246 14.7246 16.7639 16.7639 16.7654 16.7654 16.8141 16.8141 k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): -42.9552 -42.9552 -19.5091 -19.5091 -18.8479 -18.8479 -18.8479 -18.8479 6.5264 6.5264 10.5170 10.5170 10.5170 10.5170 12.3311 12.3311 12.3311 12.3311 12.4595 12.4595 14.7245 14.7245 14.7245 14.7245 16.7664 16.7664 16.7664 16.7664 16.8158 16.8158 k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): -42.9552 -42.9552 -19.5091 -19.5091 -18.8479 -18.8479 -18.8479 -18.8479 6.5264 6.5264 10.5170 10.5170 10.5170 10.5170 12.3311 12.3311 12.3311 12.3311 12.4595 12.4595 14.7245 14.7245 14.7245 14.7245 16.7664 16.7664 16.7664 16.7664 16.8158 16.8158 k = 0.0055 0.0055 0.0055 ( 2205 PWs) bands (ev): -42.9552 -42.9552 -19.5092 -19.5092 -18.8480 -18.8480 -18.8480 -18.8480 6.5281 6.5281 10.5177 10.5177 10.5177 10.5177 12.3309 12.3309 12.3313 12.3313 12.4595 12.4595 14.7243 14.7243 14.7243 14.7243 16.7639 16.7639 16.7655 16.7655 16.8141 16.8141 k = 0.0110 0.0110 0.0110 ( 2223 PWs) bands (ev): -42.9551 -42.9551 -19.5094 -19.5094 -18.8482 -18.8482 -18.8481 -18.8481 6.5333 6.5333 10.5198 10.5198 10.5198 10.5198 12.3302 12.3302 12.3319 12.3319 12.4595 12.4595 14.7236 14.7236 14.7237 14.7237 16.7561 16.7561 16.7627 16.7627 16.8093 16.8093 k = 0.0165 0.0165 0.0165 ( 2229 PWs) bands (ev): -42.9550 -42.9550 -19.5097 -19.5097 -18.8486 -18.8486 -18.8485 -18.8485 6.5420 6.5420 10.5233 10.5233 10.5234 10.5234 12.3291 12.3291 12.3330 12.3330 12.4596 12.4596 14.7225 14.7225 14.7228 14.7228 16.7426 16.7426 16.7581 16.7581 16.8020 16.8020 k = 0.0220 0.0220 0.0220 ( 2235 PWs) bands (ev): -42.9548 -42.9548 -19.5102 -19.5102 -18.8491 -18.8491 -18.8489 -18.8489 6.5542 6.5542 10.5282 10.5282 10.5284 10.5284 12.3275 12.3275 12.3343 12.3343 12.4597 12.4597 14.7209 14.7209 14.7215 14.7215 16.7229 16.7229 16.7517 16.7517 16.7929 16.7929 k = 0.0275 0.0275 0.0275 ( 2235 PWs) bands (ev): -42.9546 -42.9546 -19.5108 -19.5108 -18.8498 -18.8498 -18.8495 -18.8495 6.5699 6.5699 10.5345 10.5345 10.5347 10.5347 12.3255 12.3255 12.3358 12.3358 12.4601 12.4601 14.7189 14.7189 14.7199 14.7199 16.6968 16.6968 16.7435 16.7435 16.7822 16.7822 k = 0.0330 0.0330 0.0330 ( 2241 PWs) bands (ev): -42.9543 -42.9543 -19.5115 -19.5115 -18.8507 -18.8507 -18.8502 -18.8502 6.5889 6.5889 10.5421 10.5421 10.5425 10.5425 12.3230 12.3230 12.3373 12.3373 12.4607 12.4607 14.7166 14.7166 14.7180 14.7180 16.6645 16.6645 16.7334 16.7334 16.7702 16.7702 k = 0.0385 0.0385 0.0385 ( 2235 PWs) bands (ev): -42.9540 -42.9540 -19.5123 -19.5123 -18.8517 -18.8517 -18.8510 -18.8510 6.6114 6.6114 10.5512 10.5512 10.5517 10.5517 12.3200 12.3200 12.3386 12.3386 12.4618 12.4618 14.7140 14.7140 14.7158 14.7158 16.6266 16.6266 16.7216 16.7216 16.7566 16.7566 k = 0.0440 0.0440 0.0440 ( 2223 PWs) bands (ev): -42.9536 -42.9536 -19.5133 -19.5133 -18.8528 -18.8528 -18.8520 -18.8520 6.6374 6.6374 10.5615 10.5615 10.5622 10.5622 12.3166 12.3166 12.3396 12.3396 12.4634 12.4634 14.7110 14.7110 14.7134 14.7134 16.5834 16.5834 16.7080 16.7080 16.7415 16.7415 k = 0.0495 0.0495 0.0495 ( 2226 PWs) bands (ev): -42.9532 -42.9532 -19.5144 -19.5144 -18.8541 -18.8541 -18.8531 -18.8531 6.6667 6.6667 10.5732 10.5732 10.5741 10.5741 12.3126 12.3126 12.3400 12.3400 12.4657 12.4657 14.7078 14.7078 14.7108 14.7108 16.5355 16.5355 16.6927 16.6927 16.7248 16.7248 k = 0.0549 0.0549 0.0549 ( 2226 PWs) bands (ev): -42.9528 -42.9528 -19.5156 -19.5156 -18.8555 -18.8555 -18.8543 -18.8543 6.6993 6.6993 10.5862 10.5862 10.5873 10.5873 12.3082 12.3082 12.3396 12.3396 12.4687 12.4687 14.7044 14.7044 14.7081 14.7081 16.4834 16.4834 16.6756 16.6756 16.7064 16.7064 k = 0.0604 0.0604 0.0604 ( 2226 PWs) bands (ev): -42.9523 -42.9523 -19.5170 -19.5170 -18.8571 -18.8571 -18.8556 -18.8556 6.7353 6.7353 10.6004 10.6004 10.6017 10.6017 12.3033 12.3033 12.3383 12.3383 12.4724 12.4724 14.7008 14.7008 14.7053 14.7053 16.4276 16.4276 16.6568 16.6568 16.6863 16.6863 k = 0.0659 0.0659 0.0659 ( 2226 PWs) bands (ev): -42.9517 -42.9517 -19.5184 -19.5184 -18.8587 -18.8587 -18.8570 -18.8570 6.7745 6.7745 10.6159 10.6159 10.6175 10.6175 12.2979 12.2979 12.3360 12.3360 12.4770 12.4770 14.6972 14.6972 14.7025 14.7025 16.3686 16.3686 16.6364 16.6364 16.6646 16.6646 k = 0.0714 0.0714 0.0714 ( 2226 PWs) bands (ev): -42.9511 -42.9511 -19.5200 -19.5200 -18.8606 -18.8606 -18.8586 -18.8586 6.8170 6.8170 10.6326 10.6326 10.6345 10.6345 12.2919 12.2919 12.3326 12.3326 12.4823 12.4823 14.6935 14.6935 14.6997 14.6997 16.3070 16.3070 16.6144 16.6144 16.6412 16.6412 k = 0.0769 0.0769 0.0769 ( 2226 PWs) bands (ev): -42.9505 -42.9505 -19.5217 -19.5217 -18.8625 -18.8625 -18.8603 -18.8603 6.8627 6.8627 10.6504 10.6504 10.6526 10.6526 12.2854 12.2854 12.3281 12.3281 12.4880 12.4880 14.6899 14.6899 14.6969 14.6969 16.2434 16.2434 16.5908 16.5908 16.6162 16.6162 k = 0.0824 0.0824 0.0824 ( 2229 PWs) bands (ev): -42.9498 -42.9498 -19.5235 -19.5235 -18.8646 -18.8646 -18.8621 -18.8621 6.9115 6.9115 10.6694 10.6694 10.6720 10.6720 12.2784 12.2784 12.3225 12.3225 12.4942 12.4942 14.6864 14.6864 14.6944 14.6944 16.1783 16.1783 16.5656 16.5656 16.5896 16.5896 k = 0.0879 0.0879 0.0879 ( 2229 PWs) bands (ev): -42.9491 -42.9491 -19.5254 -19.5254 -18.8668 -18.8668 -18.8639 -18.8639 6.9635 6.9635 10.6895 10.6895 10.6925 10.6925 12.2709 12.2709 12.3158 12.3158 12.5004 12.5004 14.6831 14.6831 14.6920 14.6920 16.1123 16.1123 16.5390 16.5390 16.5615 16.5615 k = 0.0934 0.0934 0.0934 ( 2235 PWs) bands (ev): -42.9483 -42.9483 -19.5274 -19.5274 -18.8691 -18.8691 -18.8659 -18.8659 7.0185 7.0185 10.7106 10.7106 10.7140 10.7140 12.2628 12.2628 12.3081 12.3081 12.5065 12.5065 14.6800 14.6800 14.6899 14.6899 16.0460 16.0460 16.5109 16.5109 16.5320 16.5320 k = 0.0989 0.0989 0.0989 ( 2235 PWs) bands (ev): -42.9475 -42.9475 -19.5295 -19.5295 -18.8715 -18.8715 -18.8681 -18.8681 7.0765 7.0765 10.7328 10.7328 10.7367 10.7367 12.2541 12.2541 12.2995 12.2995 12.5122 12.5122 14.6772 14.6772 14.6882 14.6882 15.9800 15.9800 16.4814 16.4814 16.5010 16.5010 k = 0.1044 0.1044 0.1044 ( 2235 PWs) bands (ev): -42.9466 -42.9466 -19.5317 -19.5317 -18.8740 -18.8740 -18.8703 -18.8703 7.1375 7.1375 10.7559 10.7559 10.7603 10.7603 12.2449 12.2449 12.2899 12.2899 12.5171 12.5171 14.6747 14.6747 14.6868 14.6868 15.9150 15.9150 16.4506 16.4506 16.4687 16.4687 k = 0.1099 0.1099 0.1099 ( 2232 PWs) bands (ev): -42.9458 -42.9458 -19.5340 -19.5340 -18.8766 -18.8766 -18.8726 -18.8726 7.2013 7.2013 10.7799 10.7799 10.7848 10.7848 12.2351 12.2351 12.2795 12.2795 12.5211 12.5211 14.6728 14.6728 14.6859 14.6859 15.8514 15.8514 16.4186 16.4186 16.4350 16.4350 k = 0.1154 0.1154 0.1154 ( 2238 PWs) bands (ev): -42.9448 -42.9448 -19.5364 -19.5364 -18.8793 -18.8793 -18.8750 -18.8750 7.2680 7.2680 10.8047 10.8047 10.8103 10.8103 12.2248 12.2248 12.2683 12.2683 12.5238 12.5238 14.6712 14.6712 14.6854 14.6854 15.7900 15.7900 16.3854 16.3854 16.4002 16.4002 k = 0.1209 0.1209 0.1209 ( 2238 PWs) bands (ev): -42.9439 -42.9439 -19.5389 -19.5389 -18.8821 -18.8821 -18.8775 -18.8775 7.3374 7.3374 10.8304 10.8304 10.8366 10.8366 12.2139 12.2139 12.2562 12.2562 12.5248 12.5248 14.6703 14.6703 14.6855 14.6855 15.7313 15.7313 16.3510 16.3510 16.3642 16.3642 k = 0.1264 0.1264 0.1264 ( 2232 PWs) bands (ev): -42.9429 -42.9429 -19.5414 -19.5414 -18.8849 -18.8849 -18.8800 -18.8800 7.4095 7.4095 10.8568 10.8568 10.8637 10.8637 12.2024 12.2024 12.2434 12.2434 12.5240 12.5240 14.6699 14.6699 14.6861 14.6861 15.6758 15.6758 16.3157 16.3157 16.3272 16.3272 k = 0.1319 0.1319 0.1319 ( 2232 PWs) bands (ev): -42.9419 -42.9419 -19.5441 -19.5441 -18.8879 -18.8879 -18.8827 -18.8827 7.4842 7.4842 10.8839 10.8839 10.8916 10.8916 12.1904 12.1904 12.2299 12.2299 12.5209 12.5209 14.6701 14.6701 14.6873 14.6873 15.6242 15.6242 16.2794 16.2794 16.2893 16.2893 k = 0.1374 0.1374 0.1374 ( 2232 PWs) bands (ev): -42.9408 -42.9408 -19.5468 -19.5468 -18.8909 -18.8909 -18.8855 -18.8855 7.5614 7.5614 10.9116 10.9116 10.9201 10.9201 12.1779 12.1779 12.2157 12.2157 12.5154 12.5154 14.6710 14.6710 14.6890 14.6890 15.5770 15.5770 16.2423 16.2423 16.2506 16.2506 k = 0.1429 0.1429 0.1429 ( 2232 PWs) bands (ev): -42.9397 -42.9397 -19.5495 -19.5495 -18.8939 -18.8939 -18.8883 -18.8883 7.6410 7.6410 10.9399 10.9399 10.9492 10.9492 12.1649 12.1649 12.2008 12.2008 12.5071 12.5071 14.6725 14.6725 14.6914 14.6914 15.5347 15.5347 16.2045 16.2045 16.2111 16.2111 k = 0.1484 0.1484 0.1484 ( 2232 PWs) bands (ev): -42.9386 -42.9386 -19.5523 -19.5523 -18.8971 -18.8971 -18.8912 -18.8912 7.7230 7.7230 10.9687 10.9687 10.9789 10.9789 12.1514 12.1514 12.1852 12.1852 12.4959 12.4959 14.6746 14.6746 14.6943 14.6943 15.4978 15.4978 16.1661 16.1661 16.1711 16.1711 k = 0.1538 0.1538 0.1538 ( 2244 PWs) bands (ev): -42.9375 -42.9375 -19.5552 -19.5552 -18.9003 -18.9003 -18.8942 -18.8942 7.8073 7.8073 10.9979 10.9979 11.0091 11.0091 12.1374 12.1374 12.1691 12.1691 12.4816 12.4816 14.6774 14.6774 14.6978 14.6978 15.4665 15.4665 16.1273 16.1273 16.1307 16.1307 k = 0.1593 0.1593 0.1593 ( 2232 PWs) bands (ev): -42.9363 -42.9363 -19.5582 -19.5582 -18.9035 -18.9035 -18.8972 -18.8972 7.8938 7.8938 11.0275 11.0275 11.0397 11.0397 12.1229 12.1229 12.1524 12.1524 12.4641 12.4641 14.6808 14.6808 14.7018 14.7018 15.4414 15.4414 16.0882 16.0882 16.0900 16.0900 k = 0.1648 0.1648 0.1648 ( 2232 PWs) bands (ev): -42.9351 -42.9351 -19.5612 -19.5612 -18.9068 -18.9068 -18.9003 -18.9003 7.9823 7.9823 11.0573 11.0573 11.0707 11.0707 12.1081 12.1081 12.1351 12.1351 12.4433 12.4433 14.6847 14.6847 14.7062 14.7062 15.4225 15.4225 16.0489 16.0489 16.0493 16.0493 k = 0.1703 0.1703 0.1703 ( 2232 PWs) bands (ev): -42.9339 -42.9339 -19.5642 -19.5642 -18.9101 -18.9101 -18.9035 -18.9035 8.0728 8.0728 11.0874 11.0874 11.1020 11.1020 12.0928 12.0928 12.1173 12.1173 12.4193 12.4193 14.6890 14.6890 14.7109 14.7109 15.4102 15.4102 16.0087 16.0087 16.0098 16.0098 k = 0.1758 0.1758 0.1758 ( 2232 PWs) bands (ev): -42.9327 -42.9327 -19.5673 -19.5673 -18.9135 -18.9135 -18.9067 -18.9067 8.1652 8.1652 11.1177 11.1177 11.1335 11.1335 12.0772 12.0772 12.0990 12.0990 12.3922 12.3922 14.6937 14.6937 14.7157 14.7157 15.4044 15.4044 15.9685 15.9685 15.9710 15.9710 k = 0.1813 0.1813 0.1813 ( 2226 PWs) bands (ev): -42.9314 -42.9314 -19.5704 -19.5704 -18.9169 -18.9169 -18.9100 -18.9100 8.2593 8.2593 11.1480 11.1480 11.1652 11.1652 12.0613 12.0613 12.0802 12.0802 12.3621 12.3621 14.6985 14.6985 14.7206 14.7206 15.4053 15.4053 15.9291 15.9291 15.9328 15.9328 k = 0.1868 0.1868 0.1868 ( 2232 PWs) bands (ev): -42.9301 -42.9301 -19.5736 -19.5736 -18.9203 -18.9203 -18.9133 -18.9133 8.3551 8.3551 11.1783 11.1783 11.1969 11.1969 12.0452 12.0452 12.0610 12.0610 12.3293 12.3293 14.7033 14.7033 14.7252 14.7253 15.4128 15.4128 15.8906 15.8906 15.8954 15.8954 k = 0.1923 0.1923 0.1923 ( 2232 PWs) bands (ev): -42.9289 -42.9289 -19.5768 -19.5768 -18.9237 -18.9237 -18.9166 -18.9166 8.4525 8.4525 11.2086 11.2086 11.2287 11.2287 12.0288 12.0288 12.0413 12.0413 12.2941 12.2941 14.7078 14.7078 14.7294 14.7294 15.4268 15.4268 15.8534 15.8534 15.8592 15.8592 k = 0.1978 0.1978 0.1978 ( 2244 PWs) bands (ev): -42.9275 -42.9275 -19.5800 -19.5800 -18.9272 -18.9272 -18.9200 -18.9200 8.5512 8.5512 11.2388 11.2388 11.2604 11.2604 12.0122 12.0122 12.0210 12.0210 12.2568 12.2568 14.7118 14.7118 14.7327 14.7327 15.4471 15.4471 15.8181 15.8181 15.8246 15.8246 k = 0.2033 0.2033 0.2033 ( 2244 PWs) bands (ev): -42.9262 -42.9262 -19.5832 -19.5832 -18.9306 -18.9306 -18.9235 -18.9235 8.6513 8.6513 11.2687 11.2687 11.2920 11.2920 11.9955 11.9955 12.0003 12.0003 12.2178 12.2178 14.7148 14.7148 14.7349 14.7349 15.4736 15.4736 15.7849 15.7849 15.7920 15.7920 k = 0.2088 0.2088 0.2088 ( 2244 PWs) bands (ev): -42.9249 -42.9249 -19.5865 -19.5865 -18.9341 -18.9341 -18.9269 -18.9269 8.7525 8.7525 11.2984 11.2984 11.3234 11.3234 11.9788 11.9788 11.9790 11.9790 12.1776 12.1776 14.7165 14.7165 14.7355 14.7355 15.5061 15.5061 15.7545 15.7545 15.7619 15.7619 k = 0.2143 0.2143 0.2143 ( 2238 PWs) bands (ev): -42.9236 -42.9236 -19.5897 -19.5897 -18.9376 -18.9376 -18.9304 -18.9304 8.8547 8.8547 11.3277 11.3277 11.3545 11.3545 11.9570 11.9570 11.9621 11.9621 12.1368 12.1368 14.7165 14.7165 14.7340 14.7340 15.5443 15.5443 15.7274 15.7274 15.7348 15.7348 k = 0.2198 0.2198 0.2198 ( 2238 PWs) bands (ev): -42.9222 -42.9222 -19.5930 -19.5930 -18.9411 -18.9411 -18.9339 -18.9339 8.9579 8.9579 11.3566 11.3566 11.3853 11.3853 11.9341 11.9341 11.9455 11.9455 12.0959 12.0959 14.7142 14.7142 14.7300 14.7300 15.5878 15.5878 15.7043 15.7043 15.7111 15.7111 k = 0.2253 0.2253 0.2253 ( 2238 PWs) bands (ev): -42.9208 -42.9208 -19.5963 -19.5963 -18.9446 -18.9446 -18.9374 -18.9374 9.0618 9.0618 11.3849 11.3849 11.4156 11.4156 11.9101 11.9101 11.9290 11.9290 12.0557 12.0557 14.7093 14.7093 14.7229 14.7229 15.6357 15.6357 15.6864 15.6864 15.6914 15.6914 k = 0.2308 0.2308 0.2308 ( 2232 PWs) bands (ev): -42.9195 -42.9195 -19.5996 -19.5996 -18.9480 -18.9480 -18.9410 -18.9410 9.1664 9.1664 11.4127 11.4127 11.4454 11.4454 11.8845 11.8845 11.9129 11.9129 12.0169 12.0169 14.7014 14.7014 14.7125 14.7125 15.6655 15.6655 15.6763 15.6763 15.6965 15.6965 k = 0.2363 0.2363 0.2363 ( 2232 PWs) bands (ev): -42.9181 -42.9181 -19.6029 -19.6029 -18.9515 -18.9515 -18.9445 -18.9445 9.2714 9.2714 11.4396 11.4396 11.4745 11.4745 11.8571 11.8571 11.8970 11.8970 11.9804 11.9804 14.6899 14.6899 14.6984 14.6984 15.6591 15.6591 15.6660 15.6660 15.7527 15.7527 k = 0.2418 0.2418 0.2418 ( 2232 PWs) bands (ev): -42.9167 -42.9167 -19.6062 -19.6062 -18.9549 -18.9549 -18.9481 -18.9481 9.3767 9.3767 11.4658 11.4658 11.5027 11.5027 11.8276 11.8276 11.8817 11.8817 11.9468 11.9468 14.6747 14.6747 14.6804 14.6804 15.6556 15.6556 15.6608 15.6608 15.8161 15.8161 k = 0.2473 0.2473 0.2473 ( 2238 PWs) bands (ev): -42.9154 -42.9154 -19.6095 -19.6095 -18.9584 -18.9584 -18.9516 -18.9516 9.4822 9.4822 11.4909 11.4909 11.5298 11.5298 11.7963 11.7963 11.8670 11.8670 11.9164 11.9164 14.6557 14.6557 14.6584 14.6584 15.6572 15.6572 15.6610 15.6610 15.8843 15.8843 k = 0.2527 0.2527 0.2527 ( 2238 PWs) bands (ev): -42.9140 -42.9140 -19.6127 -19.6127 -18.9618 -18.9618 -18.9552 -18.9552 9.5877 9.5877 11.5149 11.5149 11.5549 11.5549 11.7643 11.7643 11.8532 11.8532 11.8891 11.8891 14.6326 14.6326 14.6329 14.6329 15.6640 15.6640 15.6666 15.6666 15.9570 15.9570 k = 0.2582 0.2582 0.2582 ( 2235 PWs) bands (ev): -42.9126 -42.9126 -19.6160 -19.6160 -18.9651 -18.9651 -18.9587 -18.9587 9.6930 9.6930 11.5374 11.5374 11.5768 11.5768 11.7338 11.7338 11.8404 11.8404 11.8644 11.8644 14.6031 14.6031 14.6064 14.6064 15.6760 15.6760 15.6773 15.6773 16.0339 16.0339 k = 0.2637 0.2637 0.2637 ( 2235 PWs) bands (ev): -42.9113 -42.9113 -19.6192 -19.6192 -18.9685 -18.9685 -18.9622 -18.9622 9.7980 9.7980 11.5581 11.5581 11.5918 11.5918 11.7091 11.7091 11.8291 11.8291 11.8418 11.8418 14.5703 14.5703 14.5765 14.5765 15.6927 15.6927 15.6930 15.6930 16.1150 16.1150 k = 0.2692 0.2692 0.2692 ( 2241 PWs) bands (ev): -42.9099 -42.9099 -19.6224 -19.6224 -18.9718 -18.9718 -18.9658 -18.9658 9.9025 9.9025 11.5768 11.5768 11.5926 11.5926 11.6981 11.6981 11.8196 11.8196 11.8209 11.8209 14.5346 14.5346 14.5434 14.5434 15.7133 15.7133 15.7140 15.7140 16.2000 16.2000 k = 0.2747 0.2747 0.2747 ( 2241 PWs) bands (ev): -42.9086 -42.9086 -19.6256 -19.6256 -18.9751 -18.9751 -18.9693 -18.9693 10.0063 10.0063 11.5763 11.5763 11.5928 11.5928 11.7041 11.7041 11.8015 11.8015 11.8125 11.8125 14.4962 14.4962 14.5075 14.5075 15.7379 15.7379 15.7394 15.7394 16.2889 16.2889 k = 0.2802 0.2802 0.2802 ( 2241 PWs) bands (ev): -42.9072 -42.9072 -19.6288 -19.6288 -18.9784 -18.9784 -18.9727 -18.9727 10.1093 10.1093 11.5506 11.5506 11.6055 11.6055 11.7198 11.7198 11.7833 11.7833 11.8084 11.8084 14.4556 14.4556 14.4692 14.4692 15.7665 15.7665 15.7685 15.7685 16.3816 16.3816 k = 0.2857 0.2857 0.2857 ( 2241 PWs) bands (ev): -42.9059 -42.9059 -19.6319 -19.6319 -18.9816 -18.9816 -18.9762 -18.9762 10.2113 10.2113 11.5217 11.5217 11.6146 11.6146 11.7383 11.7383 11.7671 11.7671 11.8077 11.8077 14.4131 14.4131 14.4288 14.4288 15.7986 15.7986 15.8011 15.8011 16.4780 16.4780 k = 0.2912 0.2912 0.2912 ( 2244 PWs) bands (ev): -42.9046 -42.9046 -19.6350 -19.6350 -18.9848 -18.9848 -18.9796 -18.9796 10.3120 10.3120 11.4926 11.4926 11.6198 11.6198 11.7445 11.7445 11.7653 11.7653 11.8107 11.8107 14.3691 14.3691 14.3867 14.3867 15.8339 15.8339 15.8366 15.8366 16.5781 16.5781 k = 0.2967 0.2967 0.2967 ( 2232 PWs) bands (ev): -42.9032 -42.9032 -19.6381 -19.6381 -18.9880 -18.9880 -18.9829 -18.9829 10.4115 10.4115 11.4644 11.4644 11.6213 11.6213 11.7312 11.7312 11.7842 11.7842 11.8172 11.8172 14.3239 14.3239 14.3432 14.3432 15.8721 15.8721 15.8749 15.8749 16.6818 16.6818 k = 0.3022 0.3022 0.3022 ( 2232 PWs) bands (ev): -42.9019 -42.9019 -19.6411 -19.6411 -18.9911 -18.9911 -18.9863 -18.9863 10.5093 10.5093 11.4377 11.4377 11.6197 11.6197 11.7167 11.7167 11.8048 11.8048 11.8266 11.8266 14.2776 14.2776 14.2984 14.2984 15.9128 15.9128 15.9157 15.9157 16.7891 16.7891 k = 0.3077 0.3077 0.3077 ( 2238 PWs) bands (ev): -42.9007 -42.9007 -19.6441 -19.6441 -18.9941 -18.9941 -18.9895 -18.9895 10.6055 10.6055 11.4127 11.4127 11.6157 11.6157 11.7027 11.7027 11.8253 11.8253 11.8383 11.8383 14.2306 14.2306 14.2528 14.2528 15.9558 15.9558 15.9585 15.9585 16.8999 16.8999 k = 0.3132 0.3132 0.3132 ( 2238 PWs) bands (ev): -42.8994 -42.8994 -19.6471 -19.6471 -18.9971 -18.9971 -18.9928 -18.9928 10.6997 10.6997 11.3898 11.3898 11.6102 11.6102 11.6894 11.6894 11.8454 11.8454 11.8514 11.8514 14.1831 14.1831 14.2065 14.2065 16.0007 16.0007 16.0033 16.0033 17.0141 17.0141 k = 0.3187 0.3187 0.3187 ( 2239 PWs) bands (ev): -42.8982 -42.8982 -19.6499 -19.6499 -19.0001 -19.0001 -18.9960 -18.9960 10.7919 10.7919 11.3690 11.3690 11.6035 11.6035 11.6768 11.6768 11.8648 11.8648 11.8656 11.8656 14.1353 14.1353 14.1596 14.1596 16.0474 16.0474 16.0497 16.0497 17.1319 17.1319 k = 0.3242 0.3242 0.3242 ( 2233 PWs) bands (ev): -42.8969 -42.8969 -19.6528 -19.6528 -19.0030 -19.0030 -18.9991 -18.9991 10.8818 10.8818 11.3505 11.3505 11.5963 11.5963 11.6650 11.6650 11.8803 11.8803 11.8836 11.8836 14.0873 14.0873 14.1125 14.1125 16.0956 16.0956 16.0976 16.0976 17.2530 17.2530 k = 0.3297 0.3297 0.3297 ( 2230 PWs) bands (ev): -42.8957 -42.8957 -19.6556 -19.6556 -19.0058 -19.0058 -19.0022 -19.0022 10.9693 10.9693 11.3343 11.3343 11.5888 11.5888 11.6539 11.6539 11.8952 11.8952 11.9017 11.9017 14.0392 14.0392 14.0651 14.0651 16.1450 16.1450 16.1467 16.1467 17.3776 17.3776 k = 0.3352 0.3352 0.3352 ( 2230 PWs) bands (ev): -42.8946 -42.8946 -19.6583 -19.6583 -19.0086 -19.0086 -19.0052 -19.0052 11.0541 11.0541 11.3206 11.3206 11.5813 11.5813 11.6436 11.6436 11.9102 11.9102 11.9192 11.9192 13.9913 13.9913 14.0178 14.0178 16.1955 16.1955 16.1969 16.1969 17.5055 17.5055 k = 0.3407 0.3407 0.3407 ( 2230 PWs) bands (ev): -42.8934 -42.8934 -19.6610 -19.6610 -19.0113 -19.0113 -19.0081 -19.0081 11.1359 11.1359 11.3095 11.3095 11.5738 11.5738 11.6341 11.6341 11.9251 11.9251 11.9359 11.9359 13.9437 13.9437 13.9705 13.9705 16.2468 16.2468 16.2478 16.2478 17.6368 17.6368 k = 0.3462 0.3462 0.3462 ( 2239 PWs) bands (ev): -42.8923 -42.8923 -19.6636 -19.6636 -19.0140 -19.0140 -19.0110 -19.0110 11.2137 11.2137 11.3019 11.3019 11.5666 11.5666 11.6254 11.6254 11.9398 11.9398 11.9520 11.9520 13.8964 13.8964 13.9235 13.9235 16.2988 16.2988 16.2994 16.2994 17.7713 17.7713 k = 0.3516 0.3516 0.3516 ( 2239 PWs) bands (ev): -42.8912 -42.8912 -19.6661 -19.6661 -19.0165 -19.0165 -19.0138 -19.0138 11.2750 11.2750 11.3102 11.3102 11.5598 11.5598 11.6175 11.6175 11.9543 11.9543 11.9673 11.9673 13.8496 13.8496 13.8769 13.8769 16.3512 16.3512 16.3515 16.3515 17.9092 17.9092 k = 0.3571 0.3571 0.3571 ( 2233 PWs) bands (ev): -42.8901 -42.8901 -19.6686 -19.6686 -19.0191 -19.0191 -19.0165 -19.0165 11.2827 11.2827 11.3711 11.3711 11.5533 11.5533 11.6104 11.6104 11.9684 11.9684 11.9820 11.9820 13.8033 13.8033 13.8307 13.8307 16.4039 16.4039 16.4039 16.4039 18.0502 18.0502 k = 0.3626 0.3626 0.3626 ( 2257 PWs) bands (ev): -42.8891 -42.8891 -19.6710 -19.6710 -19.0215 -19.0215 -19.0192 -19.0192 11.2817 11.2817 11.4396 11.4396 11.5472 11.5472 11.6042 11.6042 11.9822 11.9822 11.9960 11.9960 13.7578 13.7578 13.7850 13.7850 16.4564 16.4564 16.4567 16.4567 18.1943 18.1943 k = 0.3681 0.3681 0.3681 ( 2257 PWs) bands (ev): -42.8880 -42.8880 -19.6734 -19.6734 -19.0239 -19.0239 -19.0218 -19.0218 11.2818 11.2818 11.5054 11.5054 11.5416 11.5416 11.5993 11.5993 11.9956 11.9956 12.0093 12.0093 13.7131 13.7131 13.7400 13.7400 16.5087 16.5087 16.5094 16.5094 18.3416 18.3416 k = 0.3736 0.3736 0.3736 ( 2257 PWs) bands (ev): -42.8871 -42.8871 -19.6756 -19.6756 -19.0262 -19.0262 -19.0243 -19.0243 11.2837 11.2837 11.5364 11.5364 11.5643 11.5643 11.5990 11.5990 12.0087 12.0087 12.0219 12.0219 13.6692 13.6692 13.6957 13.6957 16.5609 16.5609 16.5617 16.5617 18.4917 18.4917 k = 0.3791 0.3791 0.3791 ( 2257 PWs) bands (ev): -42.8861 -42.8861 -19.6778 -19.6778 -19.0284 -19.0284 -19.0267 -19.0267 11.2874 11.2874 11.5318 11.5318 11.5838 11.5838 11.6355 11.6355 12.0214 12.0214 12.0339 12.0339 13.6263 13.6263 13.6523 13.6523 16.6126 16.6126 16.6137 16.6137 18.6447 18.6447 k = 0.3846 0.3846 0.3846 ( 2257 PWs) bands (ev): -42.8852 -42.8852 -19.6799 -19.6799 -19.0306 -19.0306 -19.0290 -19.0290 11.2929 11.2929 11.5276 11.5276 11.5823 11.5823 11.6902 11.6902 12.0337 12.0337 12.0452 12.0452 13.5844 13.5844 13.6098 13.6098 16.6636 16.6636 16.6649 16.6649 18.8003 18.8003 k = 0.3901 0.3901 0.3901 ( 2257 PWs) bands (ev): -42.8843 -42.8843 -19.6820 -19.6820 -19.0326 -19.0326 -19.0312 -19.0312 11.3001 11.3001 11.5239 11.5239 11.5800 11.5800 11.7430 11.7430 12.0457 12.0457 12.0559 12.0559 13.5437 13.5437 13.5683 13.5683 16.7139 16.7139 16.7153 16.7153 18.9585 18.9585 k = 0.3956 0.3956 0.3956 ( 2257 PWs) bands (ev): -42.8835 -42.8835 -19.6839 -19.6839 -19.0346 -19.0346 -19.0333 -19.0333 11.3089 11.3089 11.5206 11.5206 11.5779 11.5779 11.7927 11.7927 12.0572 12.0572 12.0660 12.0660 13.5042 13.5042 13.5279 13.5279 16.7632 16.7632 16.7647 16.7647 19.1188 19.1188 k = 0.4011 0.4011 0.4011 ( 2257 PWs) bands (ev): -42.8827 -42.8827 -19.6858 -19.6858 -19.0365 -19.0365 -19.0354 -19.0354 11.3191 11.3191 11.5178 11.5178 11.5763 11.5763 11.8390 11.8390 12.0684 12.0684 12.0755 12.0755 13.4660 13.4660 13.4886 13.4886 16.8113 16.8113 16.8130 16.8130 19.2810 19.2810 k = 0.4066 0.4066 0.4066 ( 2257 PWs) bands (ev): -42.8819 -42.8819 -19.6875 -19.6875 -19.0383 -19.0383 -19.0373 -19.0373 11.3306 11.3306 11.5154 11.5154 11.5753 11.5753 11.8818 11.8818 12.0792 12.0792 12.0844 12.0844 13.4292 13.4292 13.4507 13.4507 16.8581 16.8581 16.8598 16.8598 19.4446 19.4446 k = 0.4121 0.4121 0.4121 ( 2257 PWs) bands (ev): -42.8812 -42.8812 -19.6892 -19.6892 -19.0400 -19.0400 -19.0392 -19.0392 11.3432 11.3432 11.5134 11.5134 11.5748 11.5748 11.9211 11.9211 12.0897 12.0897 12.0928 12.0928 13.3939 13.3939 13.4141 13.4141 16.9034 16.9034 16.9051 16.9051 19.6089 19.6089 k = 0.4176 0.4176 0.4176 ( 2257 PWs) bands (ev): -42.8805 -42.8805 -19.6908 -19.6908 -19.0417 -19.0417 -19.0409 -19.0409 11.3566 11.3566 11.5117 11.5117 11.5748 11.5748 11.9569 11.9569 12.0997 12.0997 12.1006 12.1006 13.3601 13.3601 13.3790 13.3790 16.9470 16.9470 16.9487 16.9487 19.7727 19.7727 k = 0.4231 0.4231 0.4231 ( 2263 PWs) bands (ev): -42.8798 -42.8798 -19.6923 -19.6923 -19.0432 -19.0432 -19.0425 -19.0425 11.3708 11.3708 11.5104 11.5104 11.5753 11.5753 11.9894 11.9894 12.1079 12.1079 12.1093 12.1093 13.3280 13.3280 13.3454 13.3454 16.9888 16.9888 16.9904 16.9904 19.9340 19.9340 k = 0.4286 0.4286 0.4286 ( 2257 PWs) bands (ev): -42.8792 -42.8792 -19.6937 -19.6937 -19.0446 -19.0446 -19.0441 -19.0441 11.3854 11.3854 11.5094 11.5094 11.5763 11.5763 12.0185 12.0185 12.1148 12.1148 12.1185 12.1185 13.2977 13.2977 13.3135 13.3135 17.0285 17.0285 17.0300 17.0300 20.0889 20.0889 k = 0.4341 0.4341 0.4341 ( 2257 PWs) bands (ev): -42.8787 -42.8787 -19.6950 -19.6950 -19.0460 -19.0460 -19.0455 -19.0455 11.4003 11.4003 11.5087 11.5087 11.5777 11.5777 12.0442 12.0442 12.1213 12.1213 12.1273 12.1273 13.2691 13.2691 13.2833 13.2833 17.0661 17.0661 17.0674 17.0674 20.2294 20.2294 k = 0.4396 0.4396 0.4396 ( 2257 PWs) bands (ev): -42.8781 -42.8781 -19.6962 -19.6962 -19.0472 -19.0472 -19.0468 -19.0468 11.4151 11.4151 11.5082 11.5082 11.5795 11.5795 12.0666 12.0666 12.1276 12.1276 12.1356 12.1356 13.2425 13.2425 13.2550 13.2550 17.1013 17.1013 17.1025 17.1025 20.3395 20.3395 k = 0.4451 0.4451 0.4451 ( 2260 PWs) bands (ev): -42.8777 -42.8777 -19.6973 -19.6973 -19.0483 -19.0483 -19.0480 -19.0480 11.4295 11.4295 11.5079 11.5079 11.5816 11.5816 12.0856 12.0856 12.1338 12.1338 12.1433 12.1433 13.2178 13.2178 13.2286 13.2286 17.1340 17.1340 17.1351 17.1351 20.4000 20.4000 k = 0.4505 0.4505 0.4505 ( 2266 PWs) bands (ev): -42.8772 -42.8772 -19.6983 -19.6983 -19.0494 -19.0494 -19.0491 -19.0491 11.4434 11.4434 11.5078 11.5078 11.5841 11.5841 12.1012 12.1012 12.1402 12.1402 12.1506 12.1506 13.1952 13.1952 13.2043 13.2043 17.1640 17.1640 17.1650 17.1650 20.4133 20.4133 k = 0.4560 0.4560 0.4560 ( 2272 PWs) bands (ev): -42.8768 -42.8768 -19.6992 -19.6992 -19.0503 -19.0503 -19.0501 -19.0501 11.4564 11.4564 11.5078 11.5078 11.5869 11.5869 12.1133 12.1133 12.1471 12.1471 12.1573 12.1573 13.1747 13.1747 13.1822 13.1822 17.1913 17.1913 17.1921 17.1921 20.4003 20.4003 k = 0.4615 0.4615 0.4615 ( 2278 PWs) bands (ev): -42.8765 -42.8765 -19.7000 -19.7000 -19.0511 -19.0511 -19.0509 -19.0509 11.4683 11.4683 11.5078 11.5078 11.5899 11.5899 12.1220 12.1220 12.1545 12.1545 12.1633 12.1633 13.1564 13.1564 13.1624 13.1624 17.2157 17.2157 17.2163 17.2163 20.3772 20.3772 k = 0.4670 0.4670 0.4670 ( 2272 PWs) bands (ev): -42.8762 -42.8762 -19.7007 -19.7007 -19.0518 -19.0518 -19.0517 -19.0517 11.4789 11.4789 11.5080 11.5080 11.5930 11.5930 12.1281 12.1281 12.1618 12.1618 12.1687 12.1687 13.1404 13.1404 13.1450 13.1450 17.2371 17.2371 17.2375 17.2375 20.3516 20.3516 k = 0.4725 0.4725 0.4725 ( 2272 PWs) bands (ev): -42.8759 -42.8759 -19.7013 -19.7013 -19.0524 -19.0524 -19.0523 -19.0523 11.4880 11.4880 11.5081 11.5081 11.5961 11.5961 12.1324 12.1324 12.1685 12.1685 12.1734 12.1734 13.1268 13.1268 13.1300 13.1300 17.2553 17.2553 17.2557 17.2557 20.3272 20.3272 k = 0.4780 0.4780 0.4780 ( 2272 PWs) bands (ev): -42.8757 -42.8757 -19.7018 -19.7018 -19.0529 -19.0529 -19.0529 -19.0529 11.4955 11.4955 11.5083 11.5083 11.5990 11.5990 12.1353 12.1353 12.1741 12.1741 12.1772 12.1772 13.1155 13.1155 13.1176 13.1176 17.2704 17.2704 17.2706 17.2706 20.3058 20.3058 k = 0.4835 0.4835 0.4835 ( 2272 PWs) bands (ev): -42.8755 -42.8755 -19.7022 -19.7022 -19.0533 -19.0533 -19.0533 -19.0533 11.5013 11.5013 11.5085 11.5085 11.6015 11.6015 12.1374 12.1374 12.1786 12.1786 12.1803 12.1803 13.1067 13.1067 13.1079 13.1079 17.2822 17.2822 17.2823 17.2823 20.2885 20.2885 k = 0.4890 0.4890 0.4890 ( 2272 PWs) bands (ev): -42.8754 -42.8754 -19.7025 -19.7025 -19.0536 -19.0536 -19.0536 -19.0536 11.5054 11.5054 11.5086 11.5086 11.6035 11.6035 12.1388 12.1388 12.1818 12.1818 12.1826 12.1826 13.1004 13.1004 13.1009 13.1009 17.2906 17.2906 17.2907 17.2907 20.2758 20.2758 k = 0.4945 0.4945 0.4945 ( 2272 PWs) bands (ev): -42.8754 -42.8754 -19.7026 -19.7026 -19.0537 -19.0537 -19.0537 -19.0537 11.5079 11.5079 11.5087 11.5087 11.6048 11.6048 12.1395 12.1395 12.1837 12.1837 12.1839 12.1839 13.0966 13.0966 13.0967 13.0967 17.2957 17.2957 17.2957 17.2957 20.2680 20.2680 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -42.8753 -42.8753 -19.7027 -19.7027 -19.0538 -19.0538 -19.0538 -19.0538 11.5087 11.5087 11.5087 11.5087 11.6053 11.6053 12.1398 12.1398 12.1844 12.1844 12.1844 12.1844 13.0953 13.0953 13.0953 13.0953 17.2974 17.2974 17.2974 17.2974 20.2655 20.2655 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -42.8753 -42.8753 -19.7027 -19.7027 -19.0538 -19.0538 -19.0538 -19.0538 11.5087 11.5087 11.5087 11.5087 11.6053 11.6053 12.1398 12.1398 12.1844 12.1844 12.1844 12.1844 13.0953 13.0953 13.0953 13.0953 17.2974 17.2974 17.2974 17.2974 20.2655 20.2655 k = 0.4932 0.5000 0.4932 ( 2272 PWs) bands (ev): -42.8754 -42.8754 -19.7026 -19.7026 -19.0538 -19.0538 -19.0537 -19.0537 11.5079 11.5079 11.5086 11.5086 11.6048 11.6048 12.1395 12.1395 12.1827 12.1827 12.1850 12.1850 13.0960 13.0960 13.0974 13.0974 17.2949 17.2949 17.2965 17.2965 20.2681 20.2681 k = 0.4865 0.5000 0.4865 ( 2272 PWs) bands (ev): -42.8754 -42.8754 -19.7025 -19.7025 -19.0537 -19.0537 -19.0534 -19.0534 11.5056 11.5056 11.5084 11.5084 11.6035 11.6035 12.1381 12.1381 12.1777 12.1777 12.1873 12.1873 13.0979 13.0979 13.1034 13.1034 17.2873 17.2873 17.2939 17.2939 20.2759 20.2759 k = 0.4797 0.5000 0.4797 ( 2272 PWs) bands (ev): -42.8755 -42.8755 -19.7022 -19.7022 -19.0537 -19.0537 -19.0529 -19.0529 11.5017 11.5017 11.5081 11.5081 11.6015 11.6015 12.1344 12.1344 12.1697 12.1697 12.1924 12.1924 13.1011 13.1011 13.1134 13.1134 17.2748 17.2748 17.2895 17.2895 20.2887 20.2887 k = 0.4730 0.5000 0.4730 ( 2272 PWs) bands (ev): -42.8757 -42.8757 -19.7018 -19.7018 -19.0536 -19.0536 -19.0522 -19.0522 11.4962 11.4962 11.5075 11.5075 11.5988 11.5988 12.1277 12.1277 12.1588 12.1588 12.2011 12.2011 13.1055 13.1055 13.1271 13.1271 17.2575 17.2575 17.2832 17.2832 20.3063 20.3063 k = 0.4662 0.5000 0.4662 ( 2272 PWs) bands (ev): -42.8759 -42.8759 -19.7013 -19.7013 -19.0534 -19.0534 -19.0513 -19.0513 11.4893 11.4893 11.5067 11.5067 11.5957 11.5957 12.1179 12.1179 12.1454 12.1454 12.2132 12.2132 13.1109 13.1109 13.1442 13.1442 17.2354 17.2354 17.2752 17.2752 20.3283 20.3283 k = 0.4595 0.5000 0.4595 ( 2272 PWs) bands (ev): -42.8762 -42.8762 -19.7007 -19.7007 -19.0532 -19.0532 -19.0503 -19.0503 11.4810 11.4810 11.5057 11.5057 11.5922 11.5922 12.1049 12.1049 12.1300 12.1300 12.2284 12.2284 13.1173 13.1173 13.1646 13.1646 17.2088 17.2088 17.2654 17.2654 20.3538 20.3538 k = 0.4527 0.5000 0.4527 ( 2270 PWs) bands (ev): -42.8765 -42.8765 -19.7000 -19.7000 -19.0530 -19.0530 -19.0490 -19.0490 11.4714 11.4714 11.5044 11.5044 11.5884 11.5884 12.0892 12.0892 12.1132 12.1132 12.2462 12.2462 13.1245 13.1245 13.1878 13.1878 17.1780 17.1780 17.2538 17.2538 20.3820 20.3820 k = 0.4459 0.5000 0.4459 ( 2270 PWs) bands (ev): -42.8768 -42.8768 -19.6992 -19.6992 -19.0528 -19.0528 -19.0475 -19.0475 11.4607 11.4607 11.5026 11.5026 11.5845 11.5845 12.0708 12.0708 12.0956 12.0956 12.2662 12.2662 13.1324 13.1324 13.2137 13.2137 17.1432 17.1432 17.2404 17.2404 20.4111 20.4111 k = 0.4392 0.5000 0.4392 ( 2266 PWs) bands (ev): -42.8772 -42.8772 -19.6984 -19.6984 -19.0525 -19.0525 -19.0459 -19.0459 11.4490 11.4490 11.5002 11.5002 11.5804 11.5804 12.0500 12.0500 12.0776 12.0776 12.2880 12.2880 13.1409 13.1409 13.2418 13.2418 17.1045 17.1045 17.2252 17.2252 20.4383 20.4383 k = 0.4324 0.5000 0.4324 ( 2266 PWs) bands (ev): -42.8777 -42.8777 -19.6974 -19.6974 -19.0522 -19.0522 -19.0440 -19.0440 11.4365 11.4365 11.4970 11.4970 11.5763 11.5763 12.0275 12.0275 12.0594 12.0594 12.3113 12.3113 13.1498 13.1498 13.2720 13.2720 17.0624 17.0624 17.2081 17.2081 20.4592 20.4592 k = 0.4257 0.5000 0.4257 ( 2268 PWs) bands (ev): -42.8781 -42.8781 -19.6963 -19.6963 -19.0519 -19.0519 -19.0420 -19.0420 11.4233 11.4233 11.4928 11.4928 11.5722 11.5722 12.0039 12.0039 12.0410 12.0410 12.3358 12.3358 13.1590 13.1590 13.3040 13.3040 17.0170 17.0170 17.1892 17.1892 20.4669 20.4669 k = 0.4189 0.5000 0.4189 ( 2268 PWs) bands (ev): -42.8787 -42.8787 -19.6951 -19.6951 -19.0515 -19.0515 -19.0398 -19.0398 11.4097 11.4097 11.4872 11.4872 11.5683 11.5683 11.9797 11.9797 12.0224 12.0224 12.3613 12.3613 13.1686 13.1686 13.3376 13.3376 16.9686 16.9686 17.1685 17.1685 20.4528 20.4528 k = 0.4122 0.5000 0.4122 ( 2260 PWs) bands (ev): -42.8792 -42.8792 -19.6939 -19.6939 -19.0511 -19.0511 -19.0374 -19.0374 11.3956 11.3956 11.4799 11.4799 11.5646 11.5646 11.9555 11.9555 12.0039 12.0039 12.3875 12.3875 13.1783 13.1783 13.3726 13.3726 16.9175 16.9175 17.1460 17.1460 20.4105 20.4105 k = 0.4054 0.5000 0.4054 ( 2260 PWs) bands (ev): -42.8798 -42.8798 -19.6925 -19.6925 -19.0507 -19.0507 -19.0349 -19.0349 11.3811 11.3811 11.4704 11.4704 11.5614 11.5614 11.9318 11.9318 11.9856 11.9856 12.4142 12.4142 13.1881 13.1881 13.4088 13.4088 16.8639 16.8639 17.1217 17.1217 20.3413 20.3413 k = 0.3986 0.5000 0.3986 ( 2252 PWs) bands (ev): -42.8805 -42.8805 -19.6911 -19.6911 -19.0502 -19.0502 -19.0322 -19.0322 11.3664 11.3664 11.4585 11.4585 11.5589 11.5589 11.9091 11.9091 11.9675 11.9675 12.4411 12.4411 13.1980 13.1980 13.4460 13.4460 16.8081 16.8081 17.0957 17.0957 20.2517 20.2517 k = 0.3919 0.5000 0.3919 ( 2252 PWs) bands (ev): -42.8811 -42.8811 -19.6896 -19.6896 -19.0497 -19.0497 -19.0293 -19.0293 11.3513 11.3513 11.4439 11.4439 11.5569 11.5569 11.8878 11.8878 11.9498 11.9498 12.4681 12.4681 13.2079 13.2079 13.4840 13.4840 16.7503 16.7503 17.0680 17.0680 20.1488 20.1488 k = 0.3851 0.5000 0.3851 ( 2252 PWs) bands (ev): -42.8819 -42.8819 -19.6880 -19.6880 -19.0492 -19.0492 -19.0263 -19.0263 11.3358 11.3358 11.4265 11.4265 11.5557 11.5557 11.8682 11.8682 11.9327 11.9327 12.4950 12.4950 13.2179 13.2179 13.5228 13.5228 16.6907 16.6907 17.0387 17.0387 20.0379 20.0379 k = 0.3784 0.5000 0.3784 ( 2252 PWs) bands (ev): -42.8826 -42.8826 -19.6864 -19.6864 -19.0486 -19.0486 -19.0231 -19.0231 11.3198 11.3198 11.4067 11.4067 11.5552 11.5552 11.8503 11.8503 11.9163 11.9163 12.5215 12.5215 13.2278 13.2278 13.5622 13.5622 16.6296 16.6296 17.0079 17.0079 19.9220 19.9220 k = 0.3716 0.5000 0.3716 ( 2248 PWs) bands (ev): -42.8834 -42.8834 -19.6847 -19.6847 -19.0480 -19.0480 -19.0197 -19.0197 11.3031 11.3031 11.3847 11.3847 11.5552 11.5552 11.8342 11.8342 11.9009 11.9009 12.5474 12.5474 13.2376 13.2376 13.6020 13.6020 16.5670 16.5670 16.9758 16.9758 19.8032 19.8032 k = 0.3649 0.5000 0.3649 ( 2248 PWs) bands (ev): -42.8842 -42.8842 -19.6829 -19.6829 -19.0473 -19.0473 -19.0163 -19.0163 11.2850 11.2850 11.3613 11.3613 11.5558 11.5558 11.8198 11.8198 11.8867 11.8867 12.5726 12.5726 13.2474 13.2474 13.6423 13.6423 16.5032 16.5032 16.9424 16.9424 19.6826 19.6826 k = 0.3581 0.5000 0.3581 ( 2250 PWs) bands (ev): -42.8850 -42.8850 -19.6811 -19.6811 -19.0467 -19.0467 -19.0126 -19.0126 11.2650 11.2650 11.3374 11.3374 11.5569 11.5569 11.8068 11.8068 11.8739 11.8739 12.5968 12.5968 13.2571 13.2571 13.6828 13.6828 16.4384 16.4384 16.9080 16.9080 19.5611 19.5611 k = 0.3514 0.5000 0.3514 ( 2250 PWs) bands (ev): -42.8859 -42.8859 -19.6793 -19.6793 -19.0459 -19.0459 -19.0089 -19.0089 11.2422 11.2422 11.3144 11.3144 11.5585 11.5585 11.7948 11.7948 11.8628 11.8628 12.6198 12.6198 13.2668 13.2668 13.7234 13.7234 16.3726 16.3726 16.8728 16.8728 19.4392 19.4392 k = 0.3446 0.5000 0.3446 ( 2246 PWs) bands (ev): -42.8868 -42.8868 -19.6774 -19.6774 -19.0452 -19.0452 -19.0050 -19.0050 11.2159 11.2159 11.2932 11.2932 11.5606 11.5606 11.7835 11.7835 11.8537 11.8537 12.6414 12.6414 13.2763 13.2763 13.7641 13.7641 16.3061 16.3061 16.8370 16.8370 19.3173 19.3173 k = 0.3378 0.5000 0.3378 ( 2246 PWs) bands (ev): -42.8878 -42.8878 -19.6755 -19.6755 -19.0444 -19.0444 -19.0011 -19.0011 11.1860 11.1860 11.2740 11.2740 11.5630 11.5630 11.7726 11.7726 11.8467 11.8467 12.6615 12.6615 13.2858 13.2858 13.8049 13.8049 16.2388 16.2388 16.8008 16.8008 19.1956 19.1956 k = 0.3311 0.5000 0.3311 ( 2242 PWs) bands (ev): -42.8887 -42.8887 -19.6735 -19.6735 -19.0436 -19.0436 -18.9970 -18.9970 11.1533 11.1533 11.2566 11.2566 11.5658 11.5658 11.7620 11.7620 11.8418 11.8418 12.6799 12.6799 13.2952 13.2952 13.8455 13.8455 16.1711 16.1711 16.7647 16.7647 19.0743 19.0743 k = 0.3243 0.5000 0.3243 ( 2250 PWs) bands (ev): -42.8897 -42.8897 -19.6715 -19.6715 -19.0427 -19.0427 -18.9928 -18.9928 11.1184 11.1184 11.2406 11.2406 11.5690 11.5690 11.7516 11.7516 11.8390 11.8390 12.6963 12.6963 13.3046 13.3046 13.8859 13.8859 16.1029 16.1029 16.7288 16.7288 18.9535 18.9535 k = 0.3176 0.5000 0.3176 ( 2250 PWs) bands (ev): -42.8907 -42.8907 -19.6695 -19.6695 -19.0418 -19.0418 -18.9885 -18.9885 11.0820 11.0820 11.2254 11.2254 11.5726 11.5726 11.7415 11.7415 11.8381 11.8381 12.7105 12.7105 13.3139 13.3139 13.9261 13.9261 16.0343 16.0343 16.6934 16.6934 18.8333 18.8333 k = 0.3108 0.5000 0.3108 ( 2242 PWs) bands (ev): -42.8917 -42.8917 -19.6675 -19.6675 -19.0409 -19.0409 -18.9841 -18.9841 11.0447 11.0447 11.2107 11.2107 11.5765 11.5765 11.7318 11.7318 11.8391 11.8391 12.7226 12.7226 13.3231 13.3231 13.9660 13.9660 15.9654 15.9654 16.6590 16.6590 18.7139 18.7139 k = 0.3041 0.5000 0.3041 ( 2246 PWs) bands (ev): -42.8927 -42.8927 -19.6654 -19.6654 -19.0399 -19.0399 -18.9796 -18.9796 11.0066 11.0066 11.1965 11.1965 11.5806 11.5806 11.7227 11.7227 11.8416 11.8416 12.7323 12.7323 13.3323 13.3323 14.0056 14.0056 15.8964 15.8964 16.6258 16.6258 18.5952 18.5952 k = 0.2973 0.5000 0.2973 ( 2246 PWs) bands (ev): -42.8938 -42.8938 -19.6634 -19.6634 -19.0389 -19.0389 -18.9751 -18.9751 10.9683 10.9683 11.1824 11.1824 11.5849 11.5849 11.7143 11.7143 11.8457 11.8457 12.7394 12.7394 13.3414 13.3414 14.0446 14.0446 15.8272 15.8272 16.5941 16.5941 18.4774 18.4774 k = 0.2905 0.5000 0.2905 ( 2246 PWs) bands (ev): -42.8949 -42.8949 -19.6613 -19.6613 -19.0378 -19.0378 -18.9705 -18.9705 10.9298 10.9298 11.1684 11.1684 11.5893 11.5893 11.7068 11.7068 11.8511 11.8511 12.7441 12.7441 13.3505 13.3505 14.0832 14.0832 15.7580 15.7580 16.5642 16.5642 18.3604 18.3604 k = 0.2838 0.5000 0.2838 ( 2234 PWs) bands (ev): -42.8959 -42.8959 -19.6593 -19.6593 -19.0367 -19.0367 -18.9658 -18.9658 10.8914 10.8914 11.1544 11.1544 11.5937 11.5937 11.7004 11.7004 11.8577 11.8577 12.7461 12.7461 13.3595 13.3595 14.1212 14.1212 15.6889 15.6889 16.5363 16.5363 18.2443 18.2443 k = 0.2770 0.5000 0.2770 ( 2242 PWs) bands (ev): -42.8970 -42.8970 -19.6573 -19.6573 -19.0356 -19.0356 -18.9611 -18.9611 10.8532 10.8532 11.1404 11.1404 11.5979 11.5979 11.6954 11.6954 11.8656 11.8656 12.7455 12.7455 13.3685 13.3685 14.1585 14.1585 15.6197 15.6197 16.5106 16.5106 18.1291 18.1291 k = 0.2703 0.5000 0.2703 ( 2240 PWs) bands (ev): -42.8981 -42.8981 -19.6553 -19.6553 -19.0345 -19.0345 -18.9564 -18.9564 10.8153 10.8153 11.1261 11.1261 11.6016 11.6016 11.6919 11.6919 11.8747 11.8747 12.7424 12.7424 13.3774 13.3774 14.1952 14.1952 15.5507 15.5507 16.4873 16.4873 18.0149 18.0149 k = 0.2635 0.5000 0.2635 ( 2240 PWs) bands (ev): -42.8992 -42.8992 -19.6533 -19.6533 -19.0333 -19.0333 -18.9516 -18.9516 10.7778 10.7778 11.1117 11.1117 11.6046 11.6046 11.6903 11.6903 11.8849 11.8849 12.7367 12.7367 13.3863 13.3863 14.2312 14.2312 15.4819 15.4819 16.4665 16.4665 17.9016 17.9016 k = 0.2568 0.5000 0.2568 ( 2236 PWs) bands (ev): -42.9003 -42.9003 -19.6513 -19.6513 -19.0321 -19.0321 -18.9468 -18.9468 10.7409 10.7409 11.0969 11.0969 11.6068 11.6068 11.6907 11.6907 11.8962 11.8962 12.7287 12.7287 13.3952 13.3952 14.2664 14.2664 15.4133 15.4133 16.4482 16.4482 17.7894 17.7894 k = 0.2500 0.5000 0.2500 ( 2232 PWs) bands (ev): -42.9014 -42.9014 -19.6493 -19.6493 -19.0309 -19.0309 -18.9419 -18.9419 10.7045 10.7045 11.0818 11.0818 11.6079 11.6079 11.6934 11.6934 11.9086 11.9086 12.7184 12.7184 13.4040 13.4040 14.3007 14.3007 15.3450 15.3450 16.4326 16.4326 17.6781 17.6781 k = 0.2432 0.5000 0.2432 ( 2236 PWs) bands (ev): -42.9025 -42.9025 -19.6474 -19.6474 -19.0296 -19.0296 -18.9371 -18.9371 10.6688 10.6688 11.0663 11.0663 11.6081 11.6081 11.6983 11.6983 11.9221 11.9221 12.7060 12.7060 13.4127 13.4127 14.3342 14.3342 15.2769 15.2769 16.4194 16.4194 17.5679 17.5679 k = 0.2365 0.5000 0.2365 ( 2236 PWs) bands (ev): -42.9036 -42.9036 -19.6455 -19.6455 -19.0283 -19.0283 -18.9323 -18.9323 10.6337 10.6337 11.0504 11.0504 11.6075 11.6075 11.7051 11.7051 11.9366 11.9366 12.6917 12.6917 13.4215 13.4215 14.3669 14.3669 15.2093 15.2093 16.4088 16.4088 17.4588 17.4588 k = 0.2297 0.5000 0.2297 ( 2236 PWs) bands (ev): -42.9047 -42.9047 -19.6437 -19.6437 -19.0270 -19.0270 -18.9275 -18.9275 10.5995 10.5995 11.0340 11.0340 11.6065 11.6065 11.7135 11.7135 11.9521 11.9521 12.6758 12.6758 13.4301 13.4301 14.3985 14.3985 15.1420 15.1420 16.4005 16.4005 17.3508 17.3508 k = 0.2230 0.5000 0.2230 ( 2226 PWs) bands (ev): -42.9058 -42.9058 -19.6419 -19.6419 -19.0257 -19.0257 -18.9227 -18.9227 10.5660 10.5660 11.0171 11.0171 11.6052 11.6052 11.7234 11.7234 11.9687 11.9687 12.6585 12.6585 13.4387 13.4387 14.4293 14.4293 15.0751 15.0751 16.3944 16.3944 17.2438 17.2438 k = 0.2162 0.5000 0.2162 ( 2226 PWs) bands (ev): -42.9069 -42.9069 -19.6401 -19.6401 -19.0243 -19.0243 -18.9179 -18.9179 10.5333 10.5333 10.9996 10.9996 11.6039 11.6039 11.7346 11.7346 11.9863 11.9863 12.6400 12.6400 13.4473 13.4473 14.4590 14.4590 15.0088 15.0088 16.3903 16.3903 17.1381 17.1381 k = 0.2095 0.5000 0.2095 ( 2224 PWs) bands (ev): -42.9080 -42.9080 -19.6384 -19.6384 -19.0230 -19.0230 -18.9132 -18.9132 10.5015 10.5015 10.9815 10.9815 11.6026 11.6026 11.7469 11.7469 12.0050 12.0050 12.6207 12.6207 13.4558 13.4558 14.4878 14.4878 14.9429 14.9429 16.3880 16.3880 17.0335 17.0335 k = 0.2027 0.5000 0.2027 ( 2224 PWs) bands (ev): -42.9090 -42.9090 -19.6367 -19.6367 -19.0216 -19.0216 -18.9085 -18.9085 10.4706 10.4706 10.9629 10.9629 11.6015 11.6015 11.7601 11.7601 12.0246 12.0246 12.6006 12.6006 13.4643 13.4643 14.5155 14.5155 14.8777 14.8777 16.3873 16.3873 16.9301 16.9301 k = 0.1959 0.5000 0.1959 ( 2228 PWs) bands (ev): -42.9101 -42.9101 -19.6351 -19.6351 -19.0202 -19.0202 -18.9038 -18.9038 10.4406 10.4406 10.9437 10.9437 11.6006 11.6006 11.7743 11.7743 12.0452 12.0452 12.5802 12.5802 13.4727 13.4727 14.5422 14.5422 14.8130 14.8130 16.3879 16.3879 16.8280 16.8280 k = 0.1892 0.5000 0.1892 ( 2228 PWs) bands (ev): -42.9111 -42.9111 -19.6336 -19.6336 -19.0189 -19.0189 -18.8993 -18.8993 10.4115 10.4115 10.9239 10.9239 11.5999 11.5999 11.7893 11.7893 12.0667 12.0667 12.5596 12.5596 13.4811 13.4811 14.5678 14.5678 14.7489 14.7489 16.3897 16.3897 16.7272 16.7272 k = 0.1824 0.5000 0.1824 ( 2234 PWs) bands (ev): -42.9121 -42.9121 -19.6321 -19.6321 -19.0175 -19.0175 -18.8948 -18.8948 10.3834 10.3834 10.9036 10.9036 11.5995 11.5995 11.8051 11.8051 12.0891 12.0891 12.5392 12.5392 13.4894 13.4894 14.5923 14.5923 14.6856 14.6856 16.3922 16.3922 16.6278 16.6278 k = 0.1757 0.5000 0.1757 ( 2234 PWs) bands (ev): -42.9131 -42.9131 -19.6306 -19.6306 -19.0161 -19.0161 -18.8904 -18.8904 10.3562 10.3562 10.8827 10.8827 11.5994 11.5994 11.8217 11.8217 12.1124 12.1124 12.5189 12.5189 13.4977 13.4977 14.6155 14.6155 14.6233 14.6233 16.3952 16.3952 16.5302 16.5302 k = 0.1689 0.5000 0.1689 ( 2236 PWs) bands (ev): -42.9141 -42.9141 -19.6292 -19.6292 -19.0147 -19.0147 -18.8860 -18.8860 10.3300 10.3300 10.8614 10.8614 11.5996 11.5996 11.8389 11.8389 12.1365 12.1365 12.4992 12.4992 13.5060 13.5060 14.5611 14.5611 14.6383 14.6383 16.3961 16.3961 16.4365 16.4365 k = 0.1622 0.5000 0.1622 ( 2236 PWs) bands (ev): -42.9151 -42.9151 -19.6279 -19.6279 -19.0133 -19.0133 -18.8818 -18.8818 10.3047 10.3047 10.8397 10.8397 11.6000 11.6000 11.8568 11.8568 12.1614 12.1614 12.4801 12.4801 13.5143 13.5143 14.5002 14.5002 14.6596 14.6596 16.3349 16.3349 16.4067 16.4067 k = 0.1554 0.5000 0.1554 ( 2236 PWs) bands (ev): -42.9160 -42.9160 -19.6266 -19.6266 -19.0120 -19.0120 -18.8777 -18.8777 10.2805 10.2805 10.8177 10.8177 11.6006 11.6006 11.8753 11.8753 12.1869 12.1869 12.4619 12.4619 13.5225 13.5225 14.4402 14.4402 14.6799 14.6799 16.2425 16.2425 16.4098 16.4098 k = 0.1486 0.5000 0.1486 ( 2228 PWs) bands (ev): -42.9169 -42.9169 -19.6254 -19.6254 -19.0107 -19.0107 -18.8736 -18.8736 10.2573 10.2573 10.7955 10.7955 11.6015 11.6015 11.8944 11.8944 12.2130 12.2130 12.4447 12.4447 13.5308 13.5308 14.3811 14.3811 14.6991 14.6991 16.1508 16.1508 16.4138 16.4138 k = 0.1419 0.5000 0.1419 ( 2228 PWs) bands (ev): -42.9178 -42.9178 -19.6243 -19.6243 -19.0093 -19.0093 -18.8697 -18.8697 10.2351 10.2351 10.7732 10.7732 11.6025 11.6025 11.9140 11.9140 12.2394 12.2394 12.4286 12.4286 13.5391 13.5391 14.3230 14.3230 14.7173 14.7173 16.0606 16.0606 16.4178 16.4178 k = 0.1351 0.5000 0.1351 ( 2228 PWs) bands (ev): -42.9186 -42.9186 -19.6232 -19.6232 -19.0081 -19.0081 -18.8660 -18.8660 10.2138 10.2138 10.7508 10.7508 11.6038 11.6038 11.9341 11.9341 12.2658 12.2658 12.4141 12.4141 13.5474 13.5474 14.2661 14.2661 14.7344 14.7344 15.9722 15.9722 16.4216 16.4216 k = 0.1284 0.5000 0.1284 ( 2228 PWs) bands (ev): -42.9194 -42.9194 -19.6221 -19.6221 -19.0068 -19.0068 -18.8623 -18.8623 10.1937 10.1937 10.7285 10.7285 11.6052 11.6052 11.9545 11.9545 12.2916 12.2916 12.4016 12.4016 13.5558 13.5558 14.2104 14.2104 14.7505 14.7505 15.8858 15.8858 16.4251 16.4251 k = 0.1216 0.5000 0.1216 ( 2220 PWs) bands (ev): -42.9202 -42.9202 -19.6212 -19.6212 -19.0056 -19.0056 -18.8588 -18.8588 10.1745 10.1745 10.7064 10.7064 11.6067 11.6067 11.9752 11.9752 12.3151 12.3151 12.3929 12.3929 13.5642 13.5642 14.1560 14.1560 14.7657 14.7657 15.8013 15.8013 16.4283 16.4283 k = 0.1149 0.5000 0.1149 ( 2220 PWs) bands (ev): -42.9209 -42.9209 -19.6203 -19.6203 -19.0044 -19.0044 -18.8555 -18.8555 10.1563 10.1563 10.6846 10.6846 11.6084 11.6084 11.9962 11.9962 12.3320 12.3320 12.3920 12.3920 13.5727 13.5727 14.1029 14.1029 14.7798 14.7798 15.7190 15.7190 16.4310 16.4310 k = 0.1081 0.5000 0.1081 ( 2224 PWs) bands (ev): -42.9216 -42.9216 -19.6194 -19.6194 -19.0032 -19.0032 -18.8523 -18.8523 10.1392 10.1392 10.6633 10.6633 11.6101 11.6101 12.0172 12.0172 12.3369 12.3369 12.4043 12.4043 13.5813 13.5813 14.0514 14.0514 14.7929 14.7929 15.6390 15.6390 16.4332 16.4332 k = 0.1014 0.5000 0.1014 ( 2212 PWs) bands (ev): -42.9223 -42.9223 -19.6186 -19.6186 -19.0022 -19.0022 -18.8492 -18.8492 10.1231 10.1231 10.6426 10.6426 11.6118 11.6118 12.0382 12.0382 12.3334 12.3334 12.4261 12.4261 13.5900 13.5900 14.0014 14.0014 14.8051 14.8051 15.5616 15.5616 16.4350 16.4350 k = 0.0946 0.5000 0.0946 ( 2212 PWs) bands (ev): -42.9230 -42.9230 -19.6179 -19.6179 -19.0011 -19.0011 -18.8464 -18.8464 10.1081 10.1081 10.6225 10.6225 11.6136 11.6136 12.0590 12.0590 12.3272 12.3272 12.4513 12.4513 13.5988 13.5988 13.9533 13.9533 14.8164 14.8164 15.4868 15.4868 16.4364 16.4364 k = 0.0878 0.5000 0.0878 ( 2220 PWs) bands (ev): -42.9236 -42.9236 -19.6172 -19.6172 -19.0001 -19.0001 -18.8437 -18.8437 10.0941 10.0941 10.6033 10.6033 11.6154 11.6154 12.0795 12.0795 12.3206 12.3206 12.4776 12.4776 13.6076 13.6076 13.9070 13.9070 14.8268 14.8268 15.4149 15.4149 16.4374 16.4374 k = 0.0811 0.5000 0.0811 ( 2228 PWs) bands (ev): -42.9241 -42.9241 -19.6165 -19.6165 -18.9992 -18.9992 -18.8412 -18.8412 10.0811 10.0811 10.5850 10.5850 11.6172 11.6172 12.0995 12.0995 12.3145 12.3145 12.5038 12.5038 13.6165 13.6165 13.8629 13.8629 14.8362 14.8362 15.3461 15.3461 16.4380 16.4380 k = 0.0743 0.5000 0.0743 ( 2236 PWs) bands (ev): -42.9246 -42.9246 -19.6160 -19.6160 -18.9983 -18.9983 -18.8388 -18.8388 10.0691 10.0691 10.5677 10.5677 11.6189 11.6189 12.1187 12.1187 12.3093 12.3093 12.5296 12.5296 13.6254 13.6254 13.8211 13.8211 14.8448 14.8448 15.2808 15.2808 16.4383 16.4383 k = 0.0676 0.5000 0.0676 ( 2236 PWs) bands (ev): -42.9251 -42.9251 -19.6154 -19.6154 -18.9975 -18.9975 -18.8367 -18.8367 10.0582 10.0582 10.5516 10.5516 11.6206 11.6206 12.1368 12.1368 12.3050 12.3050 12.5543 12.5543 13.6341 13.6341 13.7819 13.7819 14.8525 14.8525 15.2192 15.2192 16.4383 16.4383 k = 0.0608 0.5000 0.0608 ( 2228 PWs) bands (ev): -42.9255 -42.9255 -19.6150 -19.6150 -18.9968 -18.9968 -18.8347 -18.8347 10.0483 10.0483 10.5367 10.5367 11.6221 11.6221 12.1536 12.1536 12.3020 12.3020 12.5779 12.5779 13.6425 13.6425 13.7456 13.7456 14.8594 14.8594 15.1616 15.1616 16.4381 16.4381 k = 0.0541 0.5000 0.0541 ( 2224 PWs) bands (ev): -42.9259 -42.9259 -19.6146 -19.6146 -18.9961 -18.9961 -18.8330 -18.8330 10.0395 10.0395 10.5232 10.5232 11.6236 11.6236 12.1686 12.1686 12.3001 12.3001 12.5999 12.5999 13.6498 13.6498 13.7131 13.7131 14.8654 14.8654 15.1085 15.1085 16.4378 16.4378 k = 0.0473 0.5000 0.0473 ( 2228 PWs) bands (ev): -42.9263 -42.9263 -19.6142 -19.6142 -18.9955 -18.9955 -18.8314 -18.8314 10.0317 10.0317 10.5110 10.5110 11.6249 11.6249 12.1817 12.1817 12.2997 12.2997 12.6201 12.6201 13.6533 13.6533 13.6872 13.6872 14.8706 14.8706 15.0603 15.0603 16.4373 16.4373 k = 0.0405 0.5000 0.0405 ( 2228 PWs) bands (ev): -42.9266 -42.9266 -19.6139 -19.6139 -18.9950 -18.9950 -18.8301 -18.8301 10.0249 10.0249 10.5003 10.5003 11.6261 11.6261 12.1926 12.1926 12.3005 12.3005 12.6382 12.6382 13.6429 13.6429 13.6781 13.6781 14.8748 14.8748 15.0174 15.0174 16.4368 16.4368 k = 0.0338 0.5000 0.0338 ( 2228 PWs) bands (ev): -42.9268 -42.9268 -19.6136 -19.6136 -18.9945 -18.9945 -18.8289 -18.8289 10.0192 10.0192 10.4912 10.4912 11.6271 11.6271 12.2011 12.2011 12.3024 12.3024 12.6540 12.6540 13.6231 13.6231 13.6814 13.6814 14.8781 14.8781 14.9805 14.9805 16.4363 16.4363 k = 0.0270 0.5000 0.0270 ( 2236 PWs) bands (ev): -42.9270 -42.9270 -19.6134 -19.6134 -18.9941 -18.9941 -18.8280 -18.8280 10.0145 10.0145 10.4837 10.4837 11.6280 11.6280 12.2075 12.2075 12.3050 12.3050 12.6673 12.6673 13.6045 13.6045 13.6866 13.6866 14.8800 14.8800 14.9502 14.9502 16.4358 16.4358 k = 0.0203 0.5000 0.0203 ( 2240 PWs) bands (ev): -42.9272 -42.9272 -19.6132 -19.6132 -18.9939 -18.9939 -18.8272 -18.8272 10.0109 10.0109 10.4777 10.4777 11.6287 11.6287 12.2120 12.2120 12.3079 12.3079 12.6778 12.6778 13.5893 13.5893 13.6914 13.6914 14.8802 14.8802 14.9274 14.9274 16.4354 16.4354 k = 0.0135 0.5000 0.0135 ( 2240 PWs) bands (ev): -42.9273 -42.9273 -19.6131 -19.6131 -18.9937 -18.9937 -18.8267 -18.8267 10.0083 10.0083 10.4735 10.4735 11.6292 11.6292 12.2148 12.2148 12.3104 12.3104 12.6854 12.6854 13.5781 13.5781 13.6951 13.6951 14.8782 14.8782 14.9130 14.9130 16.4351 16.4351 k = 0.0068 0.5000 0.0068 ( 2240 PWs) bands (ev): -42.9274 -42.9274 -19.6130 -19.6130 -18.9935 -18.9935 -18.8264 -18.8264 10.0067 10.0067 10.4709 10.4709 11.6295 11.6295 12.2164 12.2164 12.3121 12.3121 12.6900 12.6900 13.5713 13.5713 13.6974 13.6974 14.8748 14.8748 14.9063 14.9063 16.4349 16.4349 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): -42.9274 -42.9274 -19.6130 -19.6130 -18.9935 -18.9935 -18.8263 -18.8263 10.0062 10.0062 10.4701 10.4701 11.6296 11.6296 12.2169 12.2169 12.3127 12.3127 12.6916 12.6916 13.5691 13.5691 13.6982 13.6982 14.8732 14.8732 14.9046 14.9046 16.4349 16.4349 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): -42.9014 -42.9014 -19.6626 -19.6626 -19.0827 -19.0827 -18.8731 -18.8731 9.8824 9.8824 10.4740 10.4740 11.5922 11.5922 11.6596 11.6596 13.0665 13.0665 13.5747 13.5747 14.6800 14.6800 14.6930 14.6930 15.1739 15.1739 16.4948 16.4948 16.5036 16.5036 k = 0.5000 0.5000 0.0094 ( 2216 PWs) bands (ev): -42.9014 -42.9014 -19.6626 -19.6626 -19.0826 -19.0826 -18.8733 -18.8733 9.8837 9.8837 10.4750 10.4750 11.5920 11.5920 11.6594 11.6594 13.0665 13.0665 13.5747 13.5747 14.6742 14.6742 14.6873 14.6873 15.1750 15.1750 16.5018 16.5018 16.5105 16.5105 k = 0.5000 0.5000 0.0189 ( 2216 PWs) bands (ev): -42.9013 -42.9013 -19.6627 -19.6627 -19.0826 -19.0826 -18.8738 -18.8738 9.8876 9.8876 10.4781 10.4781 11.5915 11.5915 11.6589 11.6589 13.0666 13.0666 13.5746 13.5746 14.6572 14.6572 14.6704 14.6704 15.1783 15.1783 16.5224 16.5224 16.5311 16.5311 k = 0.5000 0.5000 0.0283 ( 2212 PWs) bands (ev): -42.9012 -42.9012 -19.6628 -19.6628 -19.0824 -19.0824 -18.8747 -18.8747 9.8942 9.8942 10.4833 10.4833 11.5906 11.5906 11.6580 11.6580 13.0667 13.0667 13.5746 13.5746 14.6297 14.6297 14.6431 14.6431 15.1837 15.1837 16.5560 16.5560 16.5645 16.5645 k = 0.5000 0.5000 0.0377 ( 2212 PWs) bands (ev): -42.9010 -42.9010 -19.6629 -19.6629 -19.0823 -19.0823 -18.8759 -18.8759 9.9034 9.9034 10.4905 10.4905 11.5895 11.5895 11.6568 11.6568 13.0669 13.0669 13.5746 13.5746 14.5928 14.5928 14.6065 14.6065 15.1914 15.1914 16.6015 16.6015 16.6097 16.6097 k = 0.5000 0.5000 0.0472 ( 2212 PWs) bands (ev): -42.9008 -42.9008 -19.6631 -19.6631 -19.0820 -19.0820 -18.8775 -18.8775 9.9152 9.9152 10.4998 10.4998 11.5879 11.5879 11.6552 11.6552 13.0671 13.0671 13.5745 13.5745 14.5478 14.5478 14.5617 14.5617 15.2012 15.2012 16.6575 16.6575 16.6655 16.6655 k = 0.5000 0.5000 0.0566 ( 2212 PWs) bands (ev): -42.9006 -42.9006 -19.6633 -19.6633 -19.0818 -19.0818 -18.8794 -18.8794 9.9295 9.9295 10.5110 10.5110 11.5861 11.5861 11.6533 11.6533 13.0674 13.0674 13.5745 13.5745 14.4959 14.4959 14.5102 14.5102 15.2133 15.2133 16.7228 16.7228 16.7305 16.7305 k = 0.5000 0.5000 0.0660 ( 2220 PWs) bands (ev): -42.9003 -42.9003 -19.6636 -19.6636 -19.0814 -19.0814 -18.8816 -18.8816 9.9465 9.9465 10.5241 10.5241 11.5840 11.5840 11.6511 11.6511 13.0676 13.0676 13.5743 13.5743 14.4385 14.4385 14.4532 14.4532 15.2275 15.2275 16.7961 16.7961 16.8035 16.8035 k = 0.5000 0.5000 0.0755 ( 2220 PWs) bands (ev): -42.9000 -42.9000 -19.6639 -19.6639 -19.0811 -19.0811 -18.8842 -18.8842 9.9660 9.9660 10.5391 10.5391 11.5816 11.5816 11.6486 11.6486 13.0680 13.0680 13.5741 13.5741 14.3766 14.3766 14.3917 14.3917 15.2440 15.2440 16.8763 16.8763 16.8834 16.8834 k = 0.5000 0.5000 0.0849 ( 2216 PWs) bands (ev): -42.8996 -42.8996 -19.6643 -19.6643 -19.0807 -19.0807 -18.8870 -18.8870 9.9881 9.9881 10.5559 10.5559 11.5789 11.5789 11.6458 11.6458 13.0684 13.0684 13.5738 13.5738 14.3113 14.3113 14.3267 14.3267 15.2627 15.2627 16.9624 16.9624 16.9692 16.9692 k = 0.5000 0.5000 0.0943 ( 2224 PWs) bands (ev): -42.8992 -42.8992 -19.6647 -19.6647 -19.0802 -19.0802 -18.8902 -18.8902 10.0127 10.0127 10.5745 10.5745 11.5759 11.5759 11.6427 11.6427 13.0688 13.0688 13.5734 13.5734 14.2433 14.2433 14.2591 14.2591 15.2837 15.2837 17.0535 17.0535 17.0602 17.0602 k = 0.5000 0.5000 0.1038 ( 2224 PWs) bands (ev): -42.8987 -42.8987 -19.6651 -19.6651 -19.0797 -19.0797 -18.8936 -18.8936 10.0397 10.0397 10.5947 10.5947 11.5728 11.5728 11.6394 11.6394 13.0692 13.0692 13.5729 13.5729 14.1734 14.1734 14.1896 14.1896 15.3070 15.3070 17.1483 17.1483 17.1556 17.1556 k = 0.5000 0.5000 0.1132 ( 2224 PWs) bands (ev): -42.8982 -42.8982 -19.6656 -19.6656 -19.0792 -19.0792 -18.8973 -18.8973 10.0692 10.0692 10.6164 10.6164 11.5694 11.5694 11.6359 11.6359 13.0697 13.0697 13.5721 13.5721 14.1021 14.1021 14.1186 14.1186 15.3325 15.3325 17.2286 17.2286 17.2549 17.2549 k = 0.5000 0.5000 0.1226 ( 2224 PWs) bands (ev): -42.8977 -42.8977 -19.6661 -19.6661 -19.0786 -19.0786 -18.9012 -18.9012 10.1011 10.1011 10.6396 10.6396 11.5658 11.5658 11.6322 11.6322 13.0703 13.0703 13.5712 13.5712 14.0299 14.0299 14.0467 14.0467 15.3603 15.3603 17.2365 17.2365 17.3546 17.3546 k = 0.5000 0.5000 0.1321 ( 2232 PWs) bands (ev): -42.8972 -42.8972 -19.6667 -19.6667 -19.0780 -19.0780 -18.9054 -18.9054 10.1354 10.1354 10.6642 10.6642 11.5620 11.5620 11.6283 11.6283 13.0708 13.0708 13.5699 13.5699 13.9573 13.9573 13.9743 13.9743 15.3904 15.3904 17.2387 17.2387 17.4601 17.4601 k = 0.5000 0.5000 0.1415 ( 2232 PWs) bands (ev): -42.8966 -42.8966 -19.6674 -19.6674 -19.0773 -19.0773 -18.9098 -18.9098 10.1720 10.1720 10.6901 10.6901 11.5582 11.5582 11.6242 11.6242 13.0714 13.0714 13.5682 13.5682 13.8847 13.8847 13.9016 13.9016 15.4228 15.4228 17.2405 17.2405 17.5688 17.5688 k = 0.5000 0.5000 0.1509 ( 2232 PWs) bands (ev): -42.8960 -42.8960 -19.6680 -19.6680 -19.0767 -19.0767 -18.9144 -18.9144 10.2109 10.2109 10.7171 10.7171 11.5542 11.5542 11.6201 11.6201 13.0720 13.0720 13.5660 13.5660 13.8125 13.8125 13.8291 13.8291 15.4575 15.4575 17.2422 17.2422 17.6800 17.6800 k = 0.5000 0.5000 0.1604 ( 2224 PWs) bands (ev): -42.8953 -42.8953 -19.6688 -19.6688 -19.0760 -19.0760 -18.9191 -18.9191 10.2521 10.2521 10.7452 10.7452 11.5501 11.5501 11.6158 11.6158 13.0726 13.0726 13.5627 13.5627 13.7412 13.7412 13.7568 13.7568 15.4945 15.4945 17.2440 17.2440 17.7935 17.7935 k = 0.5000 0.5000 0.1698 ( 2216 PWs) bands (ev): -42.8947 -42.8947 -19.6695 -19.6695 -19.0752 -19.0752 -18.9240 -18.9240 10.2954 10.2954 10.7742 10.7742 11.5459 11.5459 11.6115 11.6115 13.0733 13.0733 13.5573 13.5573 13.6723 13.6723 13.6851 13.6851 15.5338 15.5338 17.2458 17.2458 17.9090 17.9090 k = 0.5000 0.5000 0.1792 ( 2236 PWs) bands (ev): -42.8940 -42.8940 -19.6704 -19.6704 -19.0745 -19.0745 -18.9291 -18.9291 10.3408 10.3408 10.8040 10.8040 11.5418 11.5418 11.6071 11.6071 13.0739 13.0739 13.5441 13.5441 13.6115 13.6115 13.6141 13.6141 15.5755 15.5755 17.2477 17.2477 18.0264 18.0264 k = 0.5000 0.5000 0.1887 ( 2252 PWs) bands (ev): -42.8933 -42.8933 -19.6712 -19.6712 -19.0737 -19.0737 -18.9342 -18.9342 10.3882 10.3882 10.8344 10.8344 11.5376 11.5376 11.6028 11.6028 13.0746 13.0746 13.5045 13.5045 13.5439 13.5439 13.5775 13.5775 15.6193 15.6193 17.2496 17.2496 18.1456 18.1456 k = 0.5000 0.5000 0.1981 ( 2252 PWs) bands (ev): -42.8926 -42.8926 -19.6722 -19.6722 -19.0729 -19.0729 -18.9395 -18.9395 10.4377 10.4377 10.8654 10.8654 11.5335 11.5335 11.5985 11.5985 13.0752 13.0752 13.4431 13.4431 13.4747 13.4747 13.5658 13.5658 15.6655 15.6655 17.2515 17.2515 18.2663 18.2663 k = 0.5000 0.5000 0.2075 ( 2252 PWs) bands (ev): -42.8918 -42.8918 -19.6731 -19.6731 -19.0721 -19.0721 -18.9448 -18.9448 10.4890 10.4890 10.8968 10.8968 11.5294 11.5294 11.5943 11.5943 13.0758 13.0758 13.3771 13.3771 13.4066 13.4066 13.5591 13.5591 15.7138 15.7138 17.2535 17.2535 18.3886 18.3886 k = 0.5000 0.5000 0.2170 ( 2252 PWs) bands (ev): -42.8911 -42.8911 -19.6741 -19.6741 -19.0712 -19.0712 -18.9502 -18.9502 10.5422 10.5422 10.9286 10.9286 11.5255 11.5255 11.5901 11.5901 13.0763 13.0763 13.3109 13.3109 13.3397 13.3397 13.5533 13.5533 15.7643 15.7643 17.2555 17.2555 18.5122 18.5122 k = 0.5000 0.5000 0.2264 ( 2252 PWs) bands (ev): -42.8903 -42.8903 -19.6752 -19.6752 -19.0704 -19.0704 -18.9556 -18.9556 10.5971 10.5971 10.9604 10.9604 11.5217 11.5217 11.5861 11.5861 13.0766 13.0766 13.2453 13.2453 13.2743 13.2743 13.5475 13.5475 15.8169 15.8169 17.2575 17.2575 18.6367 18.6367 k = 0.5000 0.5000 0.2358 ( 2268 PWs) bands (ev): -42.8895 -42.8895 -19.6763 -19.6763 -19.0695 -19.0695 -18.9610 -18.9610 10.6537 10.6537 10.9923 10.9923 11.5180 11.5180 11.5823 11.5823 13.0765 13.0765 13.1808 13.1808 13.2107 13.2107 13.5414 13.5414 15.8716 15.8716 17.2595 17.2595 18.7624 18.7624 k = 0.5000 0.5000 0.2453 ( 2268 PWs) bands (ev): -42.8888 -42.8888 -19.6774 -19.6774 -19.0687 -19.0687 -18.9664 -18.9664 10.7118 10.7118 11.0241 11.0241 11.5146 11.5146 11.5787 11.5787 13.0748 13.0748 13.1175 13.1175 13.1501 13.1501 13.5346 13.5346 15.9281 15.9281 17.2616 17.2616 18.8893 18.8893 k = 0.5000 0.5000 0.2547 ( 2268 PWs) bands (ev): -42.8880 -42.8880 -19.6786 -19.6786 -19.0678 -19.0678 -18.9718 -18.9718 10.7713 10.7713 11.0557 11.0557 11.5114 11.5114 11.5753 11.5753 13.0556 13.0556 13.0626 13.0626 13.1014 13.1014 13.5271 13.5271 15.9866 15.9866 17.2636 17.2636 19.0172 19.0172 k = 0.5000 0.5000 0.2642 ( 2268 PWs) bands (ev): -42.8872 -42.8872 -19.6798 -19.6798 -19.0670 -19.0670 -18.9772 -18.9772 10.8321 10.8321 11.0870 11.0870 11.5085 11.5085 11.5722 11.5722 12.9952 12.9952 13.0170 13.0170 13.0877 13.0877 13.5189 13.5189 16.0467 16.0467 17.2657 17.2657 19.1462 19.1462 k = 0.5000 0.5000 0.2736 ( 2268 PWs) bands (ev): -42.8865 -42.8865 -19.6810 -19.6810 -19.0661 -19.0661 -18.9824 -18.9824 10.8941 10.8941 11.1178 11.1178 11.5060 11.5060 11.5693 11.5693 12.9364 12.9364 12.9611 12.9611 13.0858 13.0858 13.5098 13.5098 16.1084 16.1084 17.2677 17.2677 19.2761 19.2761 k = 0.5000 0.5000 0.2830 ( 2268 PWs) bands (ev): -42.8857 -42.8857 -19.6822 -19.6822 -19.0653 -19.0653 -18.9876 -18.9876 10.9571 10.9571 11.1480 11.1480 11.5038 11.5038 11.5669 11.5669 12.8791 12.8791 12.9052 12.9052 13.0856 13.0856 13.4998 13.4998 16.1715 16.1715 17.2698 17.2698 19.4068 19.4068 k = 0.5000 0.5000 0.2925 ( 2268 PWs) bands (ev): -42.8850 -42.8850 -19.6835 -19.6835 -19.0645 -19.0645 -18.9927 -18.9927 11.0209 11.0209 11.1775 11.1775 11.5020 11.5020 11.5647 11.5647 12.8236 12.8236 12.8504 12.8504 13.0860 13.0860 13.4888 13.4888 16.2358 16.2358 17.2718 17.2718 19.5384 19.5384 k = 0.5000 0.5000 0.3019 ( 2268 PWs) bands (ev): -42.8842 -42.8842 -19.6848 -19.6848 -19.0636 -19.0636 -18.9976 -18.9976 11.0854 11.0854 11.2063 11.2063 11.5007 11.5007 11.5630 11.5630 12.7698 12.7698 12.7972 12.7972 13.0864 13.0864 13.4768 13.4768 16.3011 16.3011 17.2737 17.2737 19.6706 19.6706 k = 0.5000 0.5000 0.3113 ( 2268 PWs) bands (ev): -42.8835 -42.8835 -19.6860 -19.6860 -19.0628 -19.0628 -19.0024 -19.0024 11.1503 11.1503 11.2341 11.2341 11.5001 11.5001 11.5617 11.5617 12.7178 12.7178 12.7457 12.7457 13.0870 13.0870 13.4637 13.4637 16.3672 16.3672 17.2757 17.2757 19.8035 19.8035 k = 0.5000 0.5000 0.3208 ( 2268 PWs) bands (ev): -42.8828 -42.8828 -19.6873 -19.6873 -19.0620 -19.0620 -19.0071 -19.0071 11.2152 11.2152 11.2610 11.2610 11.5002 11.5002 11.5609 11.5609 12.6677 12.6677 12.6959 12.6959 13.0877 13.0877 13.4495 13.4495 16.4339 16.4339 17.2776 17.2776 19.9370 19.9370 k = 0.5000 0.5000 0.3302 ( 2268 PWs) bands (ev): -42.8821 -42.8821 -19.6886 -19.6886 -19.0613 -19.0613 -19.0116 -19.0116 11.2796 11.2796 11.2868 11.2868 11.5016 11.5016 11.5605 11.5605 12.6194 12.6194 12.6481 12.6481 13.0883 13.0883 13.4341 13.4341 16.5007 16.5007 17.2794 17.2794 20.0709 20.0709 k = 0.5000 0.5000 0.3396 ( 2268 PWs) bands (ev): -42.8814 -42.8814 -19.6899 -19.6899 -19.0605 -19.0605 -19.0159 -19.0159 11.3114 11.3114 11.3422 11.3422 11.5053 11.5053 11.5606 11.5606 12.5731 12.5731 12.6021 12.6021 13.0890 13.0890 13.4175 13.4175 16.5675 16.5675 17.2812 17.2812 20.2052 20.2052 k = 0.5000 0.5000 0.3491 ( 2268 PWs) bands (ev): -42.8808 -42.8808 -19.6911 -19.6911 -19.0598 -19.0598 -19.0200 -19.0200 11.3347 11.3347 11.4001 11.4001 11.5140 11.5140 11.5612 11.5612 12.5289 12.5289 12.5581 12.5581 13.0896 13.0896 13.3997 13.3997 16.6339 16.6339 17.2829 17.2829 20.3397 20.3397 k = 0.5000 0.5000 0.3585 ( 2268 PWs) bands (ev): -42.8802 -42.8802 -19.6923 -19.6923 -19.0592 -19.0592 -19.0240 -19.0240 11.3568 11.3568 11.4447 11.4447 11.5359 11.5359 11.5623 11.5623 12.4867 12.4867 12.5161 12.5161 13.0902 13.0902 13.3808 13.3808 16.6994 16.6994 17.2845 17.2845 20.4742 20.4742 k = 0.5000 0.5000 0.3679 ( 2260 PWs) bands (ev): -42.8796 -42.8796 -19.6935 -19.6935 -19.0585 -19.0585 -19.0277 -19.0277 11.3774 11.3774 11.4681 11.4681 11.5640 11.5640 11.5789 11.5789 12.4466 12.4466 12.4763 12.4763 13.0908 13.0908 13.3607 13.3607 16.7639 16.7639 17.2861 17.2861 20.6086 20.6086 k = 0.5000 0.5000 0.3774 ( 2260 PWs) bands (ev): -42.8790 -42.8790 -19.6946 -19.6946 -19.0579 -19.0579 -19.0312 -19.0312 11.3965 11.3965 11.4782 11.4782 11.5662 11.5662 11.6346 11.6346 12.4088 12.4088 12.4386 12.4386 13.0914 13.0914 13.3395 13.3395 16.8267 16.8267 17.2876 17.2876 20.6434 20.6434 k = 0.5000 0.5000 0.3868 ( 2260 PWs) bands (ev): -42.8785 -42.8785 -19.6957 -19.6957 -19.0573 -19.0573 -19.0345 -19.0345 11.4141 11.4141 11.4837 11.4837 11.5688 11.5688 11.6940 11.6940 12.3732 12.3732 12.4032 12.4032 13.0919 13.0919 13.3173 13.3173 16.8875 16.8875 17.2890 17.2890 20.5942 20.5942 k = 0.5000 0.5000 0.3962 ( 2268 PWs) bands (ev): -42.8780 -42.8780 -19.6967 -19.6967 -19.0568 -19.0568 -19.0375 -19.0375 11.4302 11.4302 11.4875 11.4875 11.5720 11.5720 11.7539 11.7539 12.3400 12.3400 12.3700 12.3700 13.0924 13.0924 13.2942 13.2942 16.9458 16.9458 17.2903 17.2903 20.5467 20.5467 k = 0.5000 0.5000 0.4057 ( 2268 PWs) bands (ev): -42.8776 -42.8776 -19.6977 -19.6977 -19.0563 -19.0563 -19.0403 -19.0403 11.4446 11.4446 11.4907 11.4907 11.5755 11.5755 11.8126 11.8126 12.3093 12.3093 12.3393 12.3393 13.0929 13.0929 13.2705 13.2705 17.0012 17.0012 17.2915 17.2915 20.5018 20.5018 k = 0.5000 0.5000 0.4151 ( 2260 PWs) bands (ev): -42.8772 -42.8772 -19.6986 -19.6986 -19.0558 -19.0558 -19.0428 -19.0428 11.4574 11.4574 11.4935 11.4935 11.5794 11.5794 11.8694 11.8694 12.2811 12.2811 12.3110 12.3110 13.0934 13.0934 13.2463 13.2463 17.0532 17.0532 17.2926 17.2926 20.4598 20.4598 k = 0.5000 0.5000 0.4245 ( 2268 PWs) bands (ev): -42.8768 -42.8768 -19.6994 -19.6994 -19.0554 -19.0554 -19.0451 -19.0451 11.4687 11.4687 11.4962 11.4962 11.5834 11.5834 11.9236 11.9236 12.2555 12.2555 12.2853 12.2853 13.0938 13.0938 13.2221 13.2221 17.1013 17.1013 17.2936 17.2936 20.4210 20.4210 k = 0.5000 0.5000 0.4340 ( 2272 PWs) bands (ev): -42.8764 -42.8764 -19.7002 -19.7002 -19.0550 -19.0550 -19.0471 -19.0471 11.4784 11.4784 11.4987 11.4987 11.5876 11.5876 11.9742 11.9742 12.2328 12.2328 12.2623 12.2623 13.0941 13.0941 13.1982 13.1982 17.1450 17.1450 17.2945 17.2945 20.3860 20.3860 k = 0.5000 0.5000 0.4434 ( 2272 PWs) bands (ev): -42.8762 -42.8762 -19.7008 -19.7008 -19.0547 -19.0547 -19.0489 -19.0489 11.4867 11.4867 11.5011 11.5011 11.5916 11.5916 12.0206 12.0206 12.2131 12.2131 12.2420 12.2420 13.0944 13.0944 13.1751 13.1751 17.1840 17.1840 17.2952 17.2952 20.3549 20.3549 k = 0.5000 0.5000 0.4528 ( 2272 PWs) bands (ev): -42.8759 -42.8759 -19.7014 -19.7014 -19.0544 -19.0544 -19.0504 -19.0504 11.4936 11.4936 11.5032 11.5032 11.5954 11.5954 12.0618 12.0618 12.1967 12.1967 12.2247 12.2247 13.0947 13.0947 13.1536 13.1536 17.2178 17.2178 17.2959 17.2959 20.3281 20.3281 k = 0.5000 0.5000 0.4623 ( 2272 PWs) bands (ev): -42.8757 -42.8757 -19.7018 -19.7018 -19.0542 -19.0542 -19.0516 -19.0516 11.4991 11.4991 11.5051 11.5051 11.5987 11.5987 12.0962 12.0962 12.1842 12.1842 12.2103 12.2103 13.0949 13.0949 13.1343 13.1343 17.2460 17.2460 17.2965 17.2965 20.3058 20.3058 k = 0.5000 0.5000 0.4717 ( 2272 PWs) bands (ev): -42.8755 -42.8755 -19.7022 -19.7022 -19.0540 -19.0540 -19.0526 -19.0526 11.5033 11.5033 11.5066 11.5066 11.6015 11.6015 12.1217 12.1217 12.1770 12.1770 12.1990 12.1990 13.0951 13.0951 13.1180 13.1180 17.2683 17.2683 17.2969 17.2969 20.2883 20.2883 k = 0.5000 0.5000 0.4811 ( 2272 PWs) bands (ev): -42.8754 -42.8754 -19.7025 -19.7025 -19.0539 -19.0539 -19.0533 -19.0533 11.5063 11.5063 11.5078 11.5078 11.6035 11.6035 12.1355 12.1355 12.1770 12.1770 12.1909 12.1909 13.0952 13.0952 13.1057 13.1057 17.2844 17.2844 17.2972 17.2972 20.2756 20.2756 k = 0.5000 0.5000 0.4906 ( 2272 PWs) bands (ev): -42.8754 -42.8754 -19.7026 -19.7026 -19.0538 -19.0538 -19.0537 -19.0537 11.5081 11.5081 11.5085 11.5085 11.6048 11.6048 12.1394 12.1394 12.1818 12.1818 12.1860 12.1860 13.0953 13.0953 13.0980 13.0980 17.2942 17.2942 17.2974 17.2974 20.2680 20.2680 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -42.8753 -42.8753 -19.7027 -19.7027 -19.0538 -19.0538 -19.0538 -19.0538 11.5087 11.5087 11.5087 11.5087 11.6053 11.6053 12.1398 12.1398 12.1844 12.1844 12.1844 12.1844 13.0953 13.0953 13.0953 13.0953 17.2974 17.2974 17.2974 17.2974 20.2655 20.2655 Writing output data file TiNi.save init_run : 0.10s CPU 0.61s WALL ( 1 calls) electrons : 61.82s CPU 63.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.39s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 61.81s CPU 63.45s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 404 calls) cegterg : 57.61s CPU 58.89s WALL ( 412 calls) Called by sum_band: Called by *egterg: h_psi : 29.44s CPU 31.22s WALL ( 7067 calls) s_psi : 0.93s CPU 0.99s WALL ( 7067 calls) g_psi : 0.09s CPU 0.11s WALL ( 6251 calls) cdiaghg : 24.51s CPU 23.82s WALL ( 6655 calls) cegterg:over : 2.29s CPU 2.31s WALL ( 6251 calls) cegterg:upda : 1.39s CPU 1.54s WALL ( 6251 calls) cegterg:last : 0.80s CPU 1.01s WALL ( 1653 calls) cdiaghg:chol : 1.23s CPU 1.21s WALL ( 6655 calls) cdiaghg:inve : 0.58s CPU 0.63s WALL ( 6655 calls) cdiaghg:para : 1.40s CPU 1.37s WALL ( 13310 calls) Called by h_psi: h_psi:vloc : 26.12s CPU 27.77s WALL ( 7067 calls) h_psi:vnl : 3.27s CPU 3.41s WALL ( 7067 calls) add_vuspsi : 1.80s CPU 2.00s WALL ( 7067 calls) General routines calbec : 1.44s CPU 1.39s WALL ( 7067 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 24.76s CPU 26.40s WALL ( 629328 calls) davcio : 0.11s CPU 0.11s WALL ( 808 calls) Parallel routines fft_scatter : 12.27s CPU 13.28s WALL ( 629343 calls) PWSCF : 1m11.18s CPU 1m22.61s WALL This run was terminated on: 20:57:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=