Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:13:59 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: ./TiFe.save/ file Fe.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 22 22 6 474 474 78 Max 23 23 7 479 479 85 Sum 797 797 241 17077 17077 2945 bravais-lattice index = 14 lattice parameter (alat) = 5.6238 a.u. unit-cell volume = 177.8670 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 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)= 5.623825 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Fe 8.00 55.84500 Fe( 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= 407 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 2) = ( 0.0000000 0.0094340 -0.0000000), wk = 0.0024570 k( 3) = ( 0.0000000 0.0188679 -0.0000000), wk = 0.0024570 k( 4) = ( 0.0000000 0.0283019 -0.0000000), wk = 0.0024570 k( 5) = ( 0.0000000 0.0377359 -0.0000000), wk = 0.0024570 k( 6) = ( 0.0000000 0.0471698 -0.0000000), wk = 0.0024570 k( 7) = ( 0.0000000 0.0566038 -0.0000000), wk = 0.0024570 k( 8) = ( 0.0000000 0.0660377 -0.0000000), wk = 0.0024570 k( 9) = ( 0.0000000 0.0754717 -0.0000000), wk = 0.0024570 k( 10) = ( 0.0000000 0.0849057 -0.0000000), wk = 0.0024570 k( 11) = ( 0.0000000 0.0943396 -0.0000000), wk = 0.0024570 k( 12) = ( 0.0000000 0.1037736 -0.0000000), wk = 0.0024570 k( 13) = ( 0.0000000 0.1132076 -0.0000000), wk = 0.0024570 k( 14) = ( 0.0000000 0.1226415 -0.0000000), wk = 0.0024570 k( 15) = ( 0.0000000 0.1320755 -0.0000000), wk = 0.0024570 k( 16) = ( 0.0000000 0.1415094 -0.0000000), wk = 0.0024570 k( 17) = ( 0.0000000 0.1509434 -0.0000000), wk = 0.0024570 k( 18) = ( 0.0000000 0.1603774 -0.0000000), wk = 0.0024570 k( 19) = ( 0.0000000 0.1698113 -0.0000000), wk = 0.0024570 k( 20) = ( 0.0000000 0.1792453 -0.0000000), wk = 0.0024570 k( 21) = ( 0.0000000 0.1886792 -0.0000000), wk = 0.0024570 k( 22) = ( 0.0000000 0.1981132 -0.0000000), wk = 0.0024570 k( 23) = ( 0.0000000 0.2075472 -0.0000000), wk = 0.0024570 k( 24) = ( 0.0000000 0.2169811 -0.0000000), wk = 0.0024570 k( 25) = ( 0.0000000 0.2264151 -0.0000000), wk = 0.0024570 k( 26) = ( 0.0000000 0.2358491 -0.0000000), wk = 0.0024570 k( 27) = ( 0.0000000 0.2452830 -0.0000000), wk = 0.0024570 k( 28) = ( 0.0000000 0.2547170 -0.0000000), wk = 0.0024570 k( 29) = ( 0.0000000 0.2641509 -0.0000000), wk = 0.0024570 k( 30) = ( 0.0000000 0.2735849 -0.0000000), wk = 0.0024570 k( 31) = ( 0.0000000 0.2830189 -0.0000000), wk = 0.0024570 k( 32) = ( 0.0000000 0.2924528 -0.0000000), wk = 0.0024570 k( 33) = ( 0.0000000 0.3018868 -0.0000000), wk = 0.0024570 k( 34) = ( 0.0000000 0.3113207 -0.0000000), wk = 0.0024570 k( 35) = ( 0.0000000 0.3207547 -0.0000000), wk = 0.0024570 k( 36) = ( 0.0000000 0.3301887 -0.0000000), wk = 0.0024570 k( 37) = ( 0.0000000 0.3396226 -0.0000000), wk = 0.0024570 k( 38) = ( 0.0000000 0.3490566 -0.0000000), wk = 0.0024570 k( 39) = ( 0.0000000 0.3584906 -0.0000000), wk = 0.0024570 k( 40) = ( 0.0000000 0.3679245 -0.0000000), wk = 0.0024570 k( 41) = ( 0.0000000 0.3773585 -0.0000000), wk = 0.0024570 k( 42) = ( 0.0000000 0.3867925 -0.0000000), wk = 0.0024570 k( 43) = ( 0.0000000 0.3962264 -0.0000000), wk = 0.0024570 k( 44) = ( 0.0000000 0.4056604 -0.0000000), wk = 0.0024570 k( 45) = ( 0.0000000 0.4150943 -0.0000000), wk = 0.0024570 k( 46) = ( 0.0000000 0.4245283 -0.0000000), wk = 0.0024570 k( 47) = ( 0.0000000 0.4339623 -0.0000000), wk = 0.0024570 k( 48) = ( 0.0000000 0.4433962 -0.0000000), wk = 0.0024570 k( 49) = ( 0.0000000 0.4528302 -0.0000000), wk = 0.0024570 k( 50) = ( 0.0000000 0.4622641 -0.0000000), wk = 0.0024570 k( 51) = ( 0.0000000 0.4716981 -0.0000000), wk = 0.0024570 k( 52) = ( 0.0000000 0.4811321 -0.0000000), wk = 0.0024570 k( 53) = ( 0.0000000 0.4905660 -0.0000000), wk = 0.0024570 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024570 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024570 k( 56) = ( 0.0094340 0.5000000 -0.0000000), wk = 0.0024570 k( 57) = ( 0.0188679 0.5000000 -0.0000000), wk = 0.0024570 k( 58) = ( 0.0283019 0.5000000 -0.0000000), wk = 0.0024570 k( 59) = ( 0.0377359 0.5000000 -0.0000000), wk = 0.0024570 k( 60) = ( 0.0471698 0.5000000 -0.0000000), wk = 0.0024570 k( 61) = ( 0.0566038 0.5000000 -0.0000000), wk = 0.0024570 k( 62) = ( 0.0660377 0.5000000 -0.0000000), wk = 0.0024570 k( 63) = ( 0.0754717 0.5000000 -0.0000000), wk = 0.0024570 k( 64) = ( 0.0849057 0.5000000 -0.0000000), wk = 0.0024570 k( 65) = ( 0.0943396 0.5000000 -0.0000000), wk = 0.0024570 k( 66) = ( 0.1037736 0.5000000 -0.0000000), wk = 0.0024570 k( 67) = ( 0.1132076 0.5000000 -0.0000000), wk = 0.0024570 k( 68) = ( 0.1226415 0.5000000 -0.0000000), wk = 0.0024570 k( 69) = ( 0.1320755 0.5000000 -0.0000000), wk = 0.0024570 k( 70) = ( 0.1415094 0.5000000 -0.0000000), wk = 0.0024570 k( 71) = ( 0.1509434 0.5000000 -0.0000000), wk = 0.0024570 k( 72) = ( 0.1603774 0.5000000 -0.0000000), wk = 0.0024570 k( 73) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0024570 k( 74) = ( 0.1792453 0.5000000 -0.0000000), wk = 0.0024570 k( 75) = ( 0.1886792 0.5000000 -0.0000000), wk = 0.0024570 k( 76) = ( 0.1981132 0.5000000 -0.0000000), wk = 0.0024570 k( 77) = ( 0.2075472 0.5000000 -0.0000000), wk = 0.0024570 k( 78) = ( 0.2169811 0.5000000 -0.0000000), wk = 0.0024570 k( 79) = ( 0.2264151 0.5000000 -0.0000000), wk = 0.0024570 k( 80) = ( 0.2358491 0.5000000 -0.0000000), wk = 0.0024570 k( 81) = ( 0.2452830 0.5000000 -0.0000000), wk = 0.0024570 k( 82) = ( 0.2547170 0.5000000 -0.0000000), wk = 0.0024570 k( 83) = ( 0.2641509 0.5000000 -0.0000000), wk = 0.0024570 k( 84) = ( 0.2735849 0.5000000 -0.0000000), wk = 0.0024570 k( 85) = ( 0.2830189 0.5000000 -0.0000000), wk = 0.0024570 k( 86) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0024570 k( 87) = ( 0.3018868 0.5000000 -0.0000000), wk = 0.0024570 k( 88) = ( 0.3113207 0.5000000 -0.0000000), wk = 0.0024570 k( 89) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0024570 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0024570 k( 91) = ( 0.3396226 0.5000000 -0.0000000), wk = 0.0024570 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0024570 k( 93) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0024570 k( 94) = ( 0.3679245 0.5000000 -0.0000000), wk = 0.0024570 k( 95) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0024570 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0024570 k( 97) = ( 0.3962264 0.5000000 -0.0000000), wk = 0.0024570 k( 98) = ( 0.4056604 0.5000000 -0.0000000), wk = 0.0024570 k( 99) = ( 0.4150943 0.5000000 -0.0000000), wk = 0.0024570 k( 100) = ( 0.4245283 0.5000000 -0.0000000), wk = 0.0024570 k( 101) = ( 0.4339623 0.5000000 -0.0000000), wk = 0.0024570 k( 102) = ( 0.4433962 0.5000000 -0.0000000), wk = 0.0024570 k( 103) = ( 0.4528302 0.5000000 -0.0000000), wk = 0.0024570 k( 104) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0024570 k( 105) = ( 0.4716981 0.5000000 -0.0000000), wk = 0.0024570 k( 106) = ( 0.4811321 0.5000000 -0.0000000), wk = 0.0024570 k( 107) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0024570 k( 108) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024570 k( 109) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024570 k( 110) = ( 0.4933333 0.4933333 -0.0000000), wk = 0.0024570 k( 111) = ( 0.4866667 0.4866667 -0.0000000), wk = 0.0024570 k( 112) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0024570 k( 113) = ( 0.4733333 0.4733333 -0.0000000), wk = 0.0024570 k( 114) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0024570 k( 115) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0024570 k( 116) = ( 0.4533333 0.4533333 -0.0000000), wk = 0.0024570 k( 117) = ( 0.4466667 0.4466667 -0.0000000), wk = 0.0024570 k( 118) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0024570 k( 119) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0024570 k( 120) = ( 0.4266667 0.4266667 -0.0000000), wk = 0.0024570 k( 121) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0024570 k( 122) = ( 0.4133333 0.4133333 -0.0000000), wk = 0.0024570 k( 123) = ( 0.4066667 0.4066667 -0.0000000), wk = 0.0024570 k( 124) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0024570 k( 125) = ( 0.3933333 0.3933333 -0.0000000), wk = 0.0024570 k( 126) = ( 0.3866667 0.3866667 -0.0000000), wk = 0.0024570 k( 127) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0024570 k( 128) = ( 0.3733333 0.3733333 -0.0000000), wk = 0.0024570 k( 129) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0024570 k( 130) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0024570 k( 131) = ( 0.3533333 0.3533333 -0.0000000), wk = 0.0024570 k( 132) = ( 0.3466667 0.3466667 -0.0000000), wk = 0.0024570 k( 133) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0024570 k( 134) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024570 k( 135) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0024570 k( 136) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0024570 k( 137) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0024570 k( 138) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0024570 k( 139) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0024570 k( 140) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0024570 k( 141) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0024570 k( 142) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0024570 k( 143) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0024570 k( 144) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0024570 k( 145) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0024570 k( 146) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0024570 k( 147) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0024570 k( 148) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0024570 k( 149) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0024570 k( 150) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0024570 k( 151) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0024570 k( 152) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0024570 k( 153) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0024570 k( 154) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0024570 k( 155) = ( 0.1933333 0.1933333 -0.0000000), wk = 0.0024570 k( 156) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0024570 k( 157) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0024570 k( 158) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0024570 k( 159) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0024570 k( 160) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0024570 k( 161) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0024570 k( 162) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0024570 k( 163) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0024570 k( 164) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0024570 k( 165) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0024570 k( 166) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0024570 k( 167) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0024570 k( 168) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0024570 k( 169) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0024570 k( 170) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0024570 k( 171) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0024570 k( 172) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0024570 k( 173) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0024570 k( 174) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0024570 k( 175) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0024570 k( 176) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0024570 k( 177) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0024570 k( 178) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0024570 k( 179) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0024570 k( 180) = ( 0.0266667 0.0266667 -0.0000000), wk = 0.0024570 k( 181) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0024570 k( 182) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0024570 k( 183) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0024570 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 186) = ( 0.0054348 0.0054348 0.0054348), wk = 0.0024570 k( 187) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0024570 k( 188) = ( 0.0163043 0.0163043 0.0163043), wk = 0.0024570 k( 189) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0024570 k( 190) = ( 0.0271739 0.0271739 0.0271739), wk = 0.0024570 k( 191) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0024570 k( 192) = ( 0.0380435 0.0380435 0.0380435), wk = 0.0024570 k( 193) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0024570 k( 194) = ( 0.0489130 0.0489130 0.0489130), wk = 0.0024570 k( 195) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0024570 k( 196) = ( 0.0597826 0.0597826 0.0597826), wk = 0.0024570 k( 197) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0024570 k( 198) = ( 0.0706522 0.0706522 0.0706522), wk = 0.0024570 k( 199) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0024570 k( 200) = ( 0.0815217 0.0815217 0.0815217), wk = 0.0024570 k( 201) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0024570 k( 202) = ( 0.0923913 0.0923913 0.0923913), wk = 0.0024570 k( 203) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0024570 k( 204) = ( 0.1032609 0.1032609 0.1032609), wk = 0.0024570 k( 205) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0024570 k( 206) = ( 0.1141304 0.1141304 0.1141304), wk = 0.0024570 k( 207) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0024570 k( 208) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0024570 k( 209) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0024570 k( 210) = ( 0.1358696 0.1358696 0.1358696), wk = 0.0024570 k( 211) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0024570 k( 212) = ( 0.1467391 0.1467391 0.1467391), wk = 0.0024570 k( 213) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0024570 k( 214) = ( 0.1576087 0.1576087 0.1576087), wk = 0.0024570 k( 215) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0024570 k( 216) = ( 0.1684783 0.1684783 0.1684783), wk = 0.0024570 k( 217) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0024570 k( 218) = ( 0.1793478 0.1793478 0.1793478), wk = 0.0024570 k( 219) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0024570 k( 220) = ( 0.1902174 0.1902174 0.1902174), wk = 0.0024570 k( 221) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0024570 k( 222) = ( 0.2010870 0.2010870 0.2010870), wk = 0.0024570 k( 223) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0024570 k( 224) = ( 0.2119565 0.2119565 0.2119565), wk = 0.0024570 k( 225) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0024570 k( 226) = ( 0.2228261 0.2228261 0.2228261), wk = 0.0024570 k( 227) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0024570 k( 228) = ( 0.2336957 0.2336956 0.2336956), wk = 0.0024570 k( 229) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0024570 k( 230) = ( 0.2445652 0.2445652 0.2445652), wk = 0.0024570 k( 231) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024570 k( 232) = ( 0.2554348 0.2554348 0.2554348), wk = 0.0024570 k( 233) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0024570 k( 234) = ( 0.2663044 0.2663044 0.2663043), wk = 0.0024570 k( 235) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0024570 k( 236) = ( 0.2771739 0.2771739 0.2771739), wk = 0.0024570 k( 237) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0024570 k( 238) = ( 0.2880435 0.2880435 0.2880435), wk = 0.0024570 k( 239) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0024570 k( 240) = ( 0.2989130 0.2989130 0.2989130), wk = 0.0024570 k( 241) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0024570 k( 242) = ( 0.3097826 0.3097826 0.3097826), wk = 0.0024570 k( 243) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0024570 k( 244) = ( 0.3206522 0.3206522 0.3206522), wk = 0.0024570 k( 245) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0024570 k( 246) = ( 0.3315217 0.3315217 0.3315217), wk = 0.0024570 k( 247) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0024570 k( 248) = ( 0.3423913 0.3423913 0.3423913), wk = 0.0024570 k( 249) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0024570 k( 250) = ( 0.3532609 0.3532609 0.3532609), wk = 0.0024570 k( 251) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0024570 k( 252) = ( 0.3641304 0.3641304 0.3641304), wk = 0.0024570 k( 253) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0024570 k( 254) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0024570 k( 255) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0024570 k( 256) = ( 0.3858696 0.3858696 0.3858696), wk = 0.0024570 k( 257) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0024570 k( 258) = ( 0.3967391 0.3967391 0.3967391), wk = 0.0024570 k( 259) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0024570 k( 260) = ( 0.4076087 0.4076087 0.4076087), wk = 0.0024570 k( 261) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0024570 k( 262) = ( 0.4184783 0.4184783 0.4184783), wk = 0.0024570 k( 263) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0024570 k( 264) = ( 0.4293478 0.4293478 0.4293478), wk = 0.0024570 k( 265) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0024570 k( 266) = ( 0.4402174 0.4402174 0.4402174), wk = 0.0024570 k( 267) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0024570 k( 268) = ( 0.4510870 0.4510870 0.4510870), wk = 0.0024570 k( 269) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0024570 k( 270) = ( 0.4619565 0.4619565 0.4619565), wk = 0.0024570 k( 271) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0024570 k( 272) = ( 0.4728261 0.4728261 0.4728261), wk = 0.0024570 k( 273) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0024570 k( 274) = ( 0.4836956 0.4836956 0.4836956), wk = 0.0024570 k( 275) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0024570 k( 276) = ( 0.4945652 0.4945652 0.4945652), wk = 0.0024570 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 279) = ( 0.4933333 0.5000000 0.4933333), wk = 0.0024570 k( 280) = ( 0.4866667 0.5000000 0.4866667), wk = 0.0024570 k( 281) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0024570 k( 282) = ( 0.4733333 0.5000000 0.4733333), wk = 0.0024570 k( 283) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0024570 k( 284) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0024570 k( 285) = ( 0.4533333 0.5000000 0.4533333), wk = 0.0024570 k( 286) = ( 0.4466667 0.5000000 0.4466667), wk = 0.0024570 k( 287) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0024570 k( 288) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0024570 k( 289) = ( 0.4266667 0.5000000 0.4266667), wk = 0.0024570 k( 290) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0024570 k( 291) = ( 0.4133333 0.5000000 0.4133333), wk = 0.0024570 k( 292) = ( 0.4066667 0.5000000 0.4066667), wk = 0.0024570 k( 293) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0024570 k( 294) = ( 0.3933333 0.5000000 0.3933333), wk = 0.0024570 k( 295) = ( 0.3866667 0.5000000 0.3866667), wk = 0.0024570 k( 296) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0024570 k( 297) = ( 0.3733333 0.5000000 0.3733333), wk = 0.0024570 k( 298) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0024570 k( 299) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0024570 k( 300) = ( 0.3533333 0.5000000 0.3533333), wk = 0.0024570 k( 301) = ( 0.3466667 0.5000000 0.3466667), wk = 0.0024570 k( 302) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0024570 k( 303) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0024570 k( 304) = ( 0.3266667 0.5000000 0.3266667), wk = 0.0024570 k( 305) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0024570 k( 306) = ( 0.3133333 0.5000000 0.3133333), wk = 0.0024570 k( 307) = ( 0.3066667 0.5000000 0.3066667), wk = 0.0024570 k( 308) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0024570 k( 309) = ( 0.2933333 0.5000000 0.2933333), wk = 0.0024570 k( 310) = ( 0.2866667 0.5000000 0.2866667), wk = 0.0024570 k( 311) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0024570 k( 312) = ( 0.2733333 0.5000000 0.2733333), wk = 0.0024570 k( 313) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0024570 k( 314) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0024570 k( 315) = ( 0.2533333 0.5000000 0.2533333), wk = 0.0024570 k( 316) = ( 0.2466667 0.5000000 0.2466667), wk = 0.0024570 k( 317) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0024570 k( 318) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0024570 k( 319) = ( 0.2266667 0.5000000 0.2266667), wk = 0.0024570 k( 320) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0024570 k( 321) = ( 0.2133333 0.5000000 0.2133333), wk = 0.0024570 k( 322) = ( 0.2066667 0.5000000 0.2066667), wk = 0.0024570 k( 323) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0024570 k( 324) = ( 0.1933333 0.5000000 0.1933333), wk = 0.0024570 k( 325) = ( 0.1866667 0.5000000 0.1866667), wk = 0.0024570 k( 326) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0024570 k( 327) = ( 0.1733333 0.5000000 0.1733333), wk = 0.0024570 k( 328) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0024570 k( 329) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0024570 k( 330) = ( 0.1533333 0.5000000 0.1533333), wk = 0.0024570 k( 331) = ( 0.1466667 0.5000000 0.1466667), wk = 0.0024570 k( 332) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0024570 k( 333) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0024570 k( 334) = ( 0.1266667 0.5000000 0.1266667), wk = 0.0024570 k( 335) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0024570 k( 336) = ( 0.1133333 0.5000000 0.1133333), wk = 0.0024570 k( 337) = ( 0.1066667 0.5000000 0.1066667), wk = 0.0024570 k( 338) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0024570 k( 339) = ( 0.0933333 0.5000000 0.0933333), wk = 0.0024570 k( 340) = ( 0.0866667 0.5000000 0.0866667), wk = 0.0024570 k( 341) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0024570 k( 342) = ( 0.0733333 0.5000000 0.0733333), wk = 0.0024570 k( 343) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0024570 k( 344) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0024570 k( 345) = ( 0.0533333 0.5000000 0.0533333), wk = 0.0024570 k( 346) = ( 0.0466667 0.5000000 0.0466667), wk = 0.0024570 k( 347) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0024570 k( 348) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0024570 k( 349) = ( 0.0266667 0.5000000 0.0266667), wk = 0.0024570 k( 350) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0024570 k( 351) = ( 0.0133333 0.5000000 0.0133333), wk = 0.0024570 k( 352) = ( 0.0066667 0.5000000 0.0066667), wk = 0.0024570 k( 353) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024570 k( 354) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024570 k( 355) = ( 0.5000000 0.5000000 0.0094340), wk = 0.0024570 k( 356) = ( 0.5000000 0.5000000 0.0188679), wk = 0.0024570 k( 357) = ( 0.5000000 0.5000000 0.0283019), wk = 0.0024570 k( 358) = ( 0.5000000 0.5000000 0.0377358), wk = 0.0024570 k( 359) = ( 0.5000000 0.5000000 0.0471698), wk = 0.0024570 k( 360) = ( 0.5000000 0.5000000 0.0566038), wk = 0.0024570 k( 361) = ( 0.5000000 0.5000000 0.0660377), wk = 0.0024570 k( 362) = ( 0.5000000 0.5000000 0.0754717), wk = 0.0024570 k( 363) = ( 0.5000000 0.5000000 0.0849057), wk = 0.0024570 k( 364) = ( 0.5000000 0.5000000 0.0943396), wk = 0.0024570 k( 365) = ( 0.5000000 0.5000000 0.1037736), wk = 0.0024570 k( 366) = ( 0.5000000 0.5000000 0.1132075), wk = 0.0024570 k( 367) = ( 0.5000000 0.5000000 0.1226415), wk = 0.0024570 k( 368) = ( 0.5000000 0.5000000 0.1320755), wk = 0.0024570 k( 369) = ( 0.5000000 0.5000000 0.1415094), wk = 0.0024570 k( 370) = ( 0.5000000 0.5000000 0.1509434), wk = 0.0024570 k( 371) = ( 0.5000000 0.5000000 0.1603774), wk = 0.0024570 k( 372) = ( 0.5000000 0.5000000 0.1698113), wk = 0.0024570 k( 373) = ( 0.5000000 0.5000000 0.1792453), wk = 0.0024570 k( 374) = ( 0.5000000 0.5000000 0.1886792), wk = 0.0024570 k( 375) = ( 0.5000000 0.5000000 0.1981132), wk = 0.0024570 k( 376) = ( 0.5000000 0.5000000 0.2075472), wk = 0.0024570 k( 377) = ( 0.5000000 0.5000000 0.2169811), wk = 0.0024570 k( 378) = ( 0.5000000 0.5000000 0.2264151), wk = 0.0024570 k( 379) = ( 0.5000000 0.5000000 0.2358491), wk = 0.0024570 k( 380) = ( 0.5000000 0.5000000 0.2452830), wk = 0.0024570 k( 381) = ( 0.5000000 0.5000000 0.2547170), wk = 0.0024570 k( 382) = ( 0.5000000 0.5000000 0.2641509), wk = 0.0024570 k( 383) = ( 0.5000000 0.5000000 0.2735849), wk = 0.0024570 k( 384) = ( 0.5000000 0.5000000 0.2830189), wk = 0.0024570 k( 385) = ( 0.5000000 0.5000000 0.2924528), wk = 0.0024570 k( 386) = ( 0.5000000 0.5000000 0.3018868), wk = 0.0024570 k( 387) = ( 0.5000000 0.5000000 0.3113207), wk = 0.0024570 k( 388) = ( 0.5000000 0.5000000 0.3207547), wk = 0.0024570 k( 389) = ( 0.5000000 0.5000000 0.3301887), wk = 0.0024570 k( 390) = ( 0.5000000 0.5000000 0.3396226), wk = 0.0024570 k( 391) = ( 0.5000000 0.5000000 0.3490566), wk = 0.0024570 k( 392) = ( 0.5000000 0.5000000 0.3584906), wk = 0.0024570 k( 393) = ( 0.5000000 0.5000000 0.3679245), wk = 0.0024570 k( 394) = ( 0.5000000 0.5000000 0.3773585), wk = 0.0024570 k( 395) = ( 0.5000000 0.5000000 0.3867924), wk = 0.0024570 k( 396) = ( 0.5000000 0.5000000 0.3962264), wk = 0.0024570 k( 397) = ( 0.5000000 0.5000000 0.4056604), wk = 0.0024570 k( 398) = ( 0.5000000 0.5000000 0.4150943), wk = 0.0024570 k( 399) = ( 0.5000000 0.5000000 0.4245283), wk = 0.0024570 k( 400) = ( 0.5000000 0.5000000 0.4339623), wk = 0.0024570 k( 401) = ( 0.5000000 0.5000000 0.4433962), wk = 0.0024570 k( 402) = ( 0.5000000 0.5000000 0.4528302), wk = 0.0024570 k( 403) = ( 0.5000000 0.5000000 0.4622641), wk = 0.0024570 k( 404) = ( 0.5000000 0.5000000 0.4716981), wk = 0.0024570 k( 405) = ( 0.5000000 0.5000000 0.4811321), wk = 0.0024570 k( 406) = ( 0.5000000 0.5000000 0.4905660), wk = 0.0024570 k( 407) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 2) = ( 0.0000000 0.0094340 0.0000000), wk = 0.0024570 k( 3) = ( 0.0000000 0.0188679 0.0000000), wk = 0.0024570 k( 4) = ( 0.0000000 0.0283019 0.0000000), wk = 0.0024570 k( 5) = ( 0.0000000 0.0377359 0.0000000), wk = 0.0024570 k( 6) = ( 0.0000000 0.0471698 0.0000000), wk = 0.0024570 k( 7) = ( 0.0000000 0.0566038 0.0000000), wk = 0.0024570 k( 8) = ( 0.0000000 0.0660377 0.0000000), wk = 0.0024570 k( 9) = ( 0.0000000 0.0754717 0.0000000), wk = 0.0024570 k( 10) = ( 0.0000000 0.0849057 0.0000000), wk = 0.0024570 k( 11) = ( 0.0000000 0.0943396 0.0000000), wk = 0.0024570 k( 12) = ( 0.0000000 0.1037736 0.0000000), wk = 0.0024570 k( 13) = ( 0.0000000 0.1132076 0.0000000), wk = 0.0024570 k( 14) = ( 0.0000000 0.1226415 0.0000000), wk = 0.0024570 k( 15) = ( 0.0000000 0.1320755 0.0000000), wk = 0.0024570 k( 16) = ( 0.0000000 0.1415094 0.0000000), wk = 0.0024570 k( 17) = ( 0.0000000 0.1509434 0.0000000), wk = 0.0024570 k( 18) = ( 0.0000000 0.1603774 0.0000000), wk = 0.0024570 k( 19) = ( 0.0000000 0.1698113 0.0000000), wk = 0.0024570 k( 20) = ( 0.0000000 0.1792453 0.0000000), wk = 0.0024570 k( 21) = ( 0.0000000 0.1886792 0.0000000), wk = 0.0024570 k( 22) = ( 0.0000000 0.1981132 0.0000000), wk = 0.0024570 k( 23) = ( 0.0000000 0.2075472 0.0000000), wk = 0.0024570 k( 24) = ( 0.0000000 0.2169811 0.0000000), wk = 0.0024570 k( 25) = ( 0.0000000 0.2264151 0.0000000), wk = 0.0024570 k( 26) = ( 0.0000000 0.2358491 0.0000000), wk = 0.0024570 k( 27) = ( 0.0000000 0.2452830 0.0000000), wk = 0.0024570 k( 28) = ( 0.0000000 0.2547170 0.0000000), wk = 0.0024570 k( 29) = ( 0.0000000 0.2641509 0.0000000), wk = 0.0024570 k( 30) = ( 0.0000000 0.2735849 0.0000000), wk = 0.0024570 k( 31) = ( 0.0000000 0.2830189 0.0000000), wk = 0.0024570 k( 32) = ( 0.0000000 0.2924528 0.0000000), wk = 0.0024570 k( 33) = ( 0.0000000 0.3018868 0.0000000), wk = 0.0024570 k( 34) = ( 0.0000000 0.3113207 0.0000000), wk = 0.0024570 k( 35) = ( 0.0000000 0.3207547 0.0000000), wk = 0.0024570 k( 36) = ( 0.0000000 0.3301887 0.0000000), wk = 0.0024570 k( 37) = ( 0.0000000 0.3396226 0.0000000), wk = 0.0024570 k( 38) = ( 0.0000000 0.3490566 0.0000000), wk = 0.0024570 k( 39) = ( 0.0000000 0.3584906 0.0000000), wk = 0.0024570 k( 40) = ( 0.0000000 0.3679245 0.0000000), wk = 0.0024570 k( 41) = ( 0.0000000 0.3773585 0.0000000), wk = 0.0024570 k( 42) = ( 0.0000000 0.3867925 0.0000000), wk = 0.0024570 k( 43) = ( 0.0000000 0.3962264 0.0000000), wk = 0.0024570 k( 44) = ( 0.0000000 0.4056604 0.0000000), wk = 0.0024570 k( 45) = ( 0.0000000 0.4150943 0.0000000), wk = 0.0024570 k( 46) = ( 0.0000000 0.4245283 0.0000000), wk = 0.0024570 k( 47) = ( 0.0000000 0.4339623 0.0000000), wk = 0.0024570 k( 48) = ( 0.0000000 0.4433962 0.0000000), wk = 0.0024570 k( 49) = ( 0.0000000 0.4528302 0.0000000), wk = 0.0024570 k( 50) = ( 0.0000000 0.4622641 0.0000000), wk = 0.0024570 k( 51) = ( 0.0000000 0.4716981 0.0000000), wk = 0.0024570 k( 52) = ( 0.0000000 0.4811321 0.0000000), wk = 0.0024570 k( 53) = ( 0.0000000 0.4905660 0.0000000), wk = 0.0024570 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024570 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024570 k( 56) = ( 0.0094340 0.5000000 0.0000000), wk = 0.0024570 k( 57) = ( 0.0188679 0.5000000 0.0000000), wk = 0.0024570 k( 58) = ( 0.0283019 0.5000000 0.0000000), wk = 0.0024570 k( 59) = ( 0.0377359 0.5000000 0.0000000), wk = 0.0024570 k( 60) = ( 0.0471698 0.5000000 0.0000000), wk = 0.0024570 k( 61) = ( 0.0566038 0.5000000 0.0000000), wk = 0.0024570 k( 62) = ( 0.0660377 0.5000000 0.0000000), wk = 0.0024570 k( 63) = ( 0.0754717 0.5000000 0.0000000), wk = 0.0024570 k( 64) = ( 0.0849057 0.5000000 0.0000000), wk = 0.0024570 k( 65) = ( 0.0943396 0.5000000 0.0000000), wk = 0.0024570 k( 66) = ( 0.1037736 0.5000000 0.0000000), wk = 0.0024570 k( 67) = ( 0.1132076 0.5000000 0.0000000), wk = 0.0024570 k( 68) = ( 0.1226415 0.5000000 0.0000000), wk = 0.0024570 k( 69) = ( 0.1320755 0.5000000 0.0000000), wk = 0.0024570 k( 70) = ( 0.1415094 0.5000000 0.0000000), wk = 0.0024570 k( 71) = ( 0.1509434 0.5000000 0.0000000), wk = 0.0024570 k( 72) = ( 0.1603774 0.5000000 0.0000000), wk = 0.0024570 k( 73) = ( 0.1698113 0.5000000 0.0000000), wk = 0.0024570 k( 74) = ( 0.1792453 0.5000000 0.0000000), wk = 0.0024570 k( 75) = ( 0.1886792 0.5000000 0.0000000), wk = 0.0024570 k( 76) = ( 0.1981132 0.5000000 0.0000000), wk = 0.0024570 k( 77) = ( 0.2075472 0.5000000 0.0000000), wk = 0.0024570 k( 78) = ( 0.2169811 0.5000000 0.0000000), wk = 0.0024570 k( 79) = ( 0.2264151 0.5000000 0.0000000), wk = 0.0024570 k( 80) = ( 0.2358491 0.5000000 0.0000000), wk = 0.0024570 k( 81) = ( 0.2452830 0.5000000 0.0000000), wk = 0.0024570 k( 82) = ( 0.2547170 0.5000000 0.0000000), wk = 0.0024570 k( 83) = ( 0.2641509 0.5000000 0.0000000), wk = 0.0024570 k( 84) = ( 0.2735849 0.5000000 0.0000000), wk = 0.0024570 k( 85) = ( 0.2830189 0.5000000 0.0000000), wk = 0.0024570 k( 86) = ( 0.2924528 0.5000000 0.0000000), wk = 0.0024570 k( 87) = ( 0.3018868 0.5000000 0.0000000), wk = 0.0024570 k( 88) = ( 0.3113207 0.5000000 0.0000000), wk = 0.0024570 k( 89) = ( 0.3207547 0.5000000 0.0000000), wk = 0.0024570 k( 90) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0024570 k( 91) = ( 0.3396226 0.5000000 0.0000000), wk = 0.0024570 k( 92) = ( 0.3490566 0.5000000 0.0000000), wk = 0.0024570 k( 93) = ( 0.3584906 0.5000000 0.0000000), wk = 0.0024570 k( 94) = ( 0.3679245 0.5000000 0.0000000), wk = 0.0024570 k( 95) = ( 0.3773585 0.5000000 0.0000000), wk = 0.0024570 k( 96) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0024570 k( 97) = ( 0.3962264 0.5000000 0.0000000), wk = 0.0024570 k( 98) = ( 0.4056604 0.5000000 0.0000000), wk = 0.0024570 k( 99) = ( 0.4150943 0.5000000 0.0000000), wk = 0.0024570 k( 100) = ( 0.4245283 0.5000000 0.0000000), wk = 0.0024570 k( 101) = ( 0.4339623 0.5000000 0.0000000), wk = 0.0024570 k( 102) = ( 0.4433962 0.5000000 0.0000000), wk = 0.0024570 k( 103) = ( 0.4528302 0.5000000 0.0000000), wk = 0.0024570 k( 104) = ( 0.4622641 0.5000000 0.0000000), wk = 0.0024570 k( 105) = ( 0.4716981 0.5000000 0.0000000), wk = 0.0024570 k( 106) = ( 0.4811321 0.5000000 0.0000000), wk = 0.0024570 k( 107) = ( 0.4905660 0.5000000 0.0000000), wk = 0.0024570 k( 108) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024570 k( 109) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024570 k( 110) = ( 0.4933333 0.4933333 0.0000000), wk = 0.0024570 k( 111) = ( 0.4866667 0.4866667 0.0000000), wk = 0.0024570 k( 112) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0024570 k( 113) = ( 0.4733333 0.4733333 0.0000000), wk = 0.0024570 k( 114) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0024570 k( 115) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0024570 k( 116) = ( 0.4533333 0.4533333 0.0000000), wk = 0.0024570 k( 117) = ( 0.4466667 0.4466667 0.0000000), wk = 0.0024570 k( 118) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0024570 k( 119) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0024570 k( 120) = ( 0.4266667 0.4266667 0.0000000), wk = 0.0024570 k( 121) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0024570 k( 122) = ( 0.4133333 0.4133333 0.0000000), wk = 0.0024570 k( 123) = ( 0.4066667 0.4066667 0.0000000), wk = 0.0024570 k( 124) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0024570 k( 125) = ( 0.3933333 0.3933333 0.0000000), wk = 0.0024570 k( 126) = ( 0.3866667 0.3866667 0.0000000), wk = 0.0024570 k( 127) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0024570 k( 128) = ( 0.3733333 0.3733333 0.0000000), wk = 0.0024570 k( 129) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0024570 k( 130) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0024570 k( 131) = ( 0.3533333 0.3533333 0.0000000), wk = 0.0024570 k( 132) = ( 0.3466667 0.3466667 0.0000000), wk = 0.0024570 k( 133) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0024570 k( 134) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024570 k( 135) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0024570 k( 136) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0024570 k( 137) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0024570 k( 138) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0024570 k( 139) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0024570 k( 140) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0024570 k( 141) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0024570 k( 142) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0024570 k( 143) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0024570 k( 144) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0024570 k( 145) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0024570 k( 146) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0024570 k( 147) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0024570 k( 148) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0024570 k( 149) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0024570 k( 150) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0024570 k( 151) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0024570 k( 152) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0024570 k( 153) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0024570 k( 154) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0024570 k( 155) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0024570 k( 156) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0024570 k( 157) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0024570 k( 158) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0024570 k( 159) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0024570 k( 160) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0024570 k( 161) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0024570 k( 162) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0024570 k( 163) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0024570 k( 164) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0024570 k( 165) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0024570 k( 166) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0024570 k( 167) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0024570 k( 168) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0024570 k( 169) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0024570 k( 170) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0024570 k( 171) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0024570 k( 172) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0024570 k( 173) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0024570 k( 174) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0024570 k( 175) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0024570 k( 176) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0024570 k( 177) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0024570 k( 178) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0024570 k( 179) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0024570 k( 180) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0024570 k( 181) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0024570 k( 182) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0024570 k( 183) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0024570 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 186) = ( 0.0054348 0.0054348 0.0054348), wk = 0.0024570 k( 187) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0024570 k( 188) = ( 0.0163043 0.0163043 0.0163043), wk = 0.0024570 k( 189) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0024570 k( 190) = ( 0.0271739 0.0271739 0.0271739), wk = 0.0024570 k( 191) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0024570 k( 192) = ( 0.0380435 0.0380435 0.0380435), wk = 0.0024570 k( 193) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0024570 k( 194) = ( 0.0489130 0.0489130 0.0489130), wk = 0.0024570 k( 195) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0024570 k( 196) = ( 0.0597826 0.0597826 0.0597826), wk = 0.0024570 k( 197) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0024570 k( 198) = ( 0.0706522 0.0706522 0.0706522), wk = 0.0024570 k( 199) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0024570 k( 200) = ( 0.0815217 0.0815217 0.0815217), wk = 0.0024570 k( 201) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0024570 k( 202) = ( 0.0923913 0.0923913 0.0923913), wk = 0.0024570 k( 203) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0024570 k( 204) = ( 0.1032609 0.1032609 0.1032609), wk = 0.0024570 k( 205) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0024570 k( 206) = ( 0.1141304 0.1141304 0.1141304), wk = 0.0024570 k( 207) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0024570 k( 208) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0024570 k( 209) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0024570 k( 210) = ( 0.1358696 0.1358696 0.1358696), wk = 0.0024570 k( 211) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0024570 k( 212) = ( 0.1467391 0.1467391 0.1467391), wk = 0.0024570 k( 213) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0024570 k( 214) = ( 0.1576087 0.1576087 0.1576087), wk = 0.0024570 k( 215) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0024570 k( 216) = ( 0.1684783 0.1684783 0.1684783), wk = 0.0024570 k( 217) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0024570 k( 218) = ( 0.1793478 0.1793478 0.1793478), wk = 0.0024570 k( 219) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0024570 k( 220) = ( 0.1902174 0.1902174 0.1902174), wk = 0.0024570 k( 221) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0024570 k( 222) = ( 0.2010870 0.2010870 0.2010870), wk = 0.0024570 k( 223) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0024570 k( 224) = ( 0.2119565 0.2119565 0.2119565), wk = 0.0024570 k( 225) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0024570 k( 226) = ( 0.2228261 0.2228261 0.2228261), wk = 0.0024570 k( 227) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0024570 k( 228) = ( 0.2336957 0.2336957 0.2336957), wk = 0.0024570 k( 229) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0024570 k( 230) = ( 0.2445652 0.2445652 0.2445652), wk = 0.0024570 k( 231) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024570 k( 232) = ( 0.2554348 0.2554348 0.2554348), wk = 0.0024570 k( 233) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0024570 k( 234) = ( 0.2663044 0.2663044 0.2663044), wk = 0.0024570 k( 235) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0024570 k( 236) = ( 0.2771739 0.2771739 0.2771739), wk = 0.0024570 k( 237) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0024570 k( 238) = ( 0.2880435 0.2880435 0.2880435), wk = 0.0024570 k( 239) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0024570 k( 240) = ( 0.2989130 0.2989130 0.2989130), wk = 0.0024570 k( 241) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0024570 k( 242) = ( 0.3097826 0.3097826 0.3097826), wk = 0.0024570 k( 243) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0024570 k( 244) = ( 0.3206522 0.3206522 0.3206522), wk = 0.0024570 k( 245) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0024570 k( 246) = ( 0.3315217 0.3315217 0.3315217), wk = 0.0024570 k( 247) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0024570 k( 248) = ( 0.3423913 0.3423913 0.3423913), wk = 0.0024570 k( 249) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0024570 k( 250) = ( 0.3532609 0.3532609 0.3532609), wk = 0.0024570 k( 251) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0024570 k( 252) = ( 0.3641304 0.3641304 0.3641304), wk = 0.0024570 k( 253) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0024570 k( 254) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0024570 k( 255) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0024570 k( 256) = ( 0.3858696 0.3858696 0.3858696), wk = 0.0024570 k( 257) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0024570 k( 258) = ( 0.3967391 0.3967391 0.3967391), wk = 0.0024570 k( 259) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0024570 k( 260) = ( 0.4076087 0.4076087 0.4076087), wk = 0.0024570 k( 261) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0024570 k( 262) = ( 0.4184783 0.4184783 0.4184783), wk = 0.0024570 k( 263) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0024570 k( 264) = ( 0.4293478 0.4293478 0.4293478), wk = 0.0024570 k( 265) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0024570 k( 266) = ( 0.4402174 0.4402174 0.4402174), wk = 0.0024570 k( 267) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0024570 k( 268) = ( 0.4510870 0.4510870 0.4510870), wk = 0.0024570 k( 269) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0024570 k( 270) = ( 0.4619565 0.4619565 0.4619565), wk = 0.0024570 k( 271) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0024570 k( 272) = ( 0.4728261 0.4728261 0.4728261), wk = 0.0024570 k( 273) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0024570 k( 274) = ( 0.4836956 0.4836956 0.4836956), wk = 0.0024570 k( 275) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0024570 k( 276) = ( 0.4945652 0.4945652 0.4945652), wk = 0.0024570 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 279) = ( 0.4933333 0.5000000 0.4933333), wk = 0.0024570 k( 280) = ( 0.4866667 0.5000000 0.4866667), wk = 0.0024570 k( 281) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0024570 k( 282) = ( 0.4733333 0.5000000 0.4733333), wk = 0.0024570 k( 283) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0024570 k( 284) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0024570 k( 285) = ( 0.4533333 0.5000000 0.4533333), wk = 0.0024570 k( 286) = ( 0.4466667 0.5000000 0.4466667), wk = 0.0024570 k( 287) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0024570 k( 288) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0024570 k( 289) = ( 0.4266667 0.5000000 0.4266667), wk = 0.0024570 k( 290) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0024570 k( 291) = ( 0.4133333 0.5000000 0.4133333), wk = 0.0024570 k( 292) = ( 0.4066667 0.5000000 0.4066667), wk = 0.0024570 k( 293) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0024570 k( 294) = ( 0.3933333 0.5000000 0.3933333), wk = 0.0024570 k( 295) = ( 0.3866667 0.5000000 0.3866667), wk = 0.0024570 k( 296) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0024570 k( 297) = ( 0.3733333 0.5000000 0.3733333), wk = 0.0024570 k( 298) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0024570 k( 299) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0024570 k( 300) = ( 0.3533333 0.5000000 0.3533333), wk = 0.0024570 k( 301) = ( 0.3466667 0.5000000 0.3466667), wk = 0.0024570 k( 302) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0024570 k( 303) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0024570 k( 304) = ( 0.3266667 0.5000000 0.3266667), wk = 0.0024570 k( 305) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0024570 k( 306) = ( 0.3133333 0.5000000 0.3133333), wk = 0.0024570 k( 307) = ( 0.3066667 0.5000000 0.3066667), wk = 0.0024570 k( 308) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0024570 k( 309) = ( 0.2933333 0.5000000 0.2933333), wk = 0.0024570 k( 310) = ( 0.2866667 0.5000000 0.2866667), wk = 0.0024570 k( 311) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0024570 k( 312) = ( 0.2733333 0.5000000 0.2733333), wk = 0.0024570 k( 313) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0024570 k( 314) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0024570 k( 315) = ( 0.2533333 0.5000000 0.2533333), wk = 0.0024570 k( 316) = ( 0.2466667 0.5000000 0.2466667), wk = 0.0024570 k( 317) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0024570 k( 318) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0024570 k( 319) = ( 0.2266667 0.5000000 0.2266667), wk = 0.0024570 k( 320) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0024570 k( 321) = ( 0.2133333 0.5000000 0.2133333), wk = 0.0024570 k( 322) = ( 0.2066667 0.5000000 0.2066667), wk = 0.0024570 k( 323) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0024570 k( 324) = ( 0.1933333 0.5000000 0.1933333), wk = 0.0024570 k( 325) = ( 0.1866667 0.5000000 0.1866667), wk = 0.0024570 k( 326) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0024570 k( 327) = ( 0.1733333 0.5000000 0.1733333), wk = 0.0024570 k( 328) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0024570 k( 329) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0024570 k( 330) = ( 0.1533333 0.5000000 0.1533333), wk = 0.0024570 k( 331) = ( 0.1466667 0.5000000 0.1466667), wk = 0.0024570 k( 332) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0024570 k( 333) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0024570 k( 334) = ( 0.1266667 0.5000000 0.1266667), wk = 0.0024570 k( 335) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0024570 k( 336) = ( 0.1133333 0.5000000 0.1133333), wk = 0.0024570 k( 337) = ( 0.1066667 0.5000000 0.1066667), wk = 0.0024570 k( 338) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0024570 k( 339) = ( 0.0933333 0.5000000 0.0933333), wk = 0.0024570 k( 340) = ( 0.0866667 0.5000000 0.0866667), wk = 0.0024570 k( 341) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0024570 k( 342) = ( 0.0733333 0.5000000 0.0733333), wk = 0.0024570 k( 343) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0024570 k( 344) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0024570 k( 345) = ( 0.0533333 0.5000000 0.0533333), wk = 0.0024570 k( 346) = ( 0.0466667 0.5000000 0.0466667), wk = 0.0024570 k( 347) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0024570 k( 348) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0024570 k( 349) = ( 0.0266667 0.5000000 0.0266667), wk = 0.0024570 k( 350) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0024570 k( 351) = ( 0.0133333 0.5000000 0.0133333), wk = 0.0024570 k( 352) = ( 0.0066667 0.5000000 0.0066667), wk = 0.0024570 k( 353) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024570 k( 354) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024570 k( 355) = ( 0.5000000 0.5000000 0.0094340), wk = 0.0024570 k( 356) = ( 0.5000000 0.5000000 0.0188679), wk = 0.0024570 k( 357) = ( 0.5000000 0.5000000 0.0283019), wk = 0.0024570 k( 358) = ( 0.5000000 0.5000000 0.0377359), wk = 0.0024570 k( 359) = ( 0.5000000 0.5000000 0.0471698), wk = 0.0024570 k( 360) = ( 0.5000000 0.5000000 0.0566038), wk = 0.0024570 k( 361) = ( 0.5000000 0.5000000 0.0660377), wk = 0.0024570 k( 362) = ( 0.5000000 0.5000000 0.0754717), wk = 0.0024570 k( 363) = ( 0.5000000 0.5000000 0.0849057), wk = 0.0024570 k( 364) = ( 0.5000000 0.5000000 0.0943396), wk = 0.0024570 k( 365) = ( 0.5000000 0.5000000 0.1037736), wk = 0.0024570 k( 366) = ( 0.5000000 0.5000000 0.1132076), wk = 0.0024570 k( 367) = ( 0.5000000 0.5000000 0.1226415), wk = 0.0024570 k( 368) = ( 0.5000000 0.5000000 0.1320755), wk = 0.0024570 k( 369) = ( 0.5000000 0.5000000 0.1415094), wk = 0.0024570 k( 370) = ( 0.5000000 0.5000000 0.1509434), wk = 0.0024570 k( 371) = ( 0.5000000 0.5000000 0.1603774), wk = 0.0024570 k( 372) = ( 0.5000000 0.5000000 0.1698113), wk = 0.0024570 k( 373) = ( 0.5000000 0.5000000 0.1792453), wk = 0.0024570 k( 374) = ( 0.5000000 0.5000000 0.1886792), wk = 0.0024570 k( 375) = ( 0.5000000 0.5000000 0.1981132), wk = 0.0024570 k( 376) = ( 0.5000000 0.5000000 0.2075472), wk = 0.0024570 k( 377) = ( 0.5000000 0.5000000 0.2169811), wk = 0.0024570 k( 378) = ( 0.5000000 0.5000000 0.2264151), wk = 0.0024570 k( 379) = ( 0.5000000 0.5000000 0.2358491), wk = 0.0024570 k( 380) = ( 0.5000000 0.5000000 0.2452830), wk = 0.0024570 k( 381) = ( 0.5000000 0.5000000 0.2547170), wk = 0.0024570 k( 382) = ( 0.5000000 0.5000000 0.2641509), wk = 0.0024570 k( 383) = ( 0.5000000 0.5000000 0.2735849), wk = 0.0024570 k( 384) = ( 0.5000000 0.5000000 0.2830189), wk = 0.0024570 k( 385) = ( 0.5000000 0.5000000 0.2924528), wk = 0.0024570 k( 386) = ( 0.5000000 0.5000000 0.3018868), wk = 0.0024570 k( 387) = ( 0.5000000 0.5000000 0.3113207), wk = 0.0024570 k( 388) = ( 0.5000000 0.5000000 0.3207547), wk = 0.0024570 k( 389) = ( 0.5000000 0.5000000 0.3301887), wk = 0.0024570 k( 390) = ( 0.5000000 0.5000000 0.3396226), wk = 0.0024570 k( 391) = ( 0.5000000 0.5000000 0.3490566), wk = 0.0024570 k( 392) = ( 0.5000000 0.5000000 0.3584906), wk = 0.0024570 k( 393) = ( 0.5000000 0.5000000 0.3679245), wk = 0.0024570 k( 394) = ( 0.5000000 0.5000000 0.3773585), wk = 0.0024570 k( 395) = ( 0.5000000 0.5000000 0.3867925), wk = 0.0024570 k( 396) = ( 0.5000000 0.5000000 0.3962264), wk = 0.0024570 k( 397) = ( 0.5000000 0.5000000 0.4056604), wk = 0.0024570 k( 398) = ( 0.5000000 0.5000000 0.4150943), wk = 0.0024570 k( 399) = ( 0.5000000 0.5000000 0.4245283), wk = 0.0024570 k( 400) = ( 0.5000000 0.5000000 0.4339623), wk = 0.0024570 k( 401) = ( 0.5000000 0.5000000 0.4433962), wk = 0.0024570 k( 402) = ( 0.5000000 0.5000000 0.4528302), wk = 0.0024570 k( 403) = ( 0.5000000 0.5000000 0.4622641), wk = 0.0024570 k( 404) = ( 0.5000000 0.5000000 0.4716981), wk = 0.0024570 k( 405) = ( 0.5000000 0.5000000 0.4811321), wk = 0.0024570 k( 406) = ( 0.5000000 0.5000000 0.4905660), wk = 0.0024570 k( 407) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 Dense grid: 17077 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 128, 28) NL pseudopotentials 0.07 Mb ( 64, 68) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 476) G-vector shells 0.00 Mb ( 141) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 128, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.06 Mb ( 68, 2, 28) The potential is recalculated from file : ./TiFe.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 10 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.6 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 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.6 secs Computing kpt #: 11 total cpu time spent up to now is 3.8 secs Computing kpt #: 12 total cpu time spent up to now is 4.0 secs Computing kpt #: 13 total cpu time spent up to now is 4.2 secs Computing kpt #: 14 total cpu time spent up to now is 4.5 secs Computing kpt #: 15 total cpu time spent up to now is 4.7 secs Computing kpt #: 16 total cpu time spent up to now is 4.9 secs Computing kpt #: 17 total cpu time spent up to now is 5.2 secs Computing kpt #: 18 total cpu time spent up to now is 5.4 secs Computing kpt #: 19 total cpu time spent up to now is 5.6 secs Computing kpt #: 20 total cpu time spent up to now is 5.8 secs Computing kpt #: 21 total cpu time spent up to now is 6.0 secs Computing kpt #: 22 total cpu time spent up to now is 6.2 secs Computing kpt #: 23 total cpu time spent up to now is 6.4 secs Computing kpt #: 24 total cpu time spent up to now is 6.6 secs Computing kpt #: 25 total cpu time spent up to now is 6.9 secs Computing kpt #: 26 total cpu time spent up to now is 7.0 secs Computing kpt #: 27 total cpu time spent up to now is 7.2 secs Computing kpt #: 28 total cpu time spent up to now is 7.4 secs Computing kpt #: 29 total cpu time spent up to now is 7.6 secs Computing kpt #: 30 total cpu time spent up to now is 7.7 secs Computing kpt #: 31 total cpu time spent up to now is 7.9 secs Computing kpt #: 32 total cpu time spent up to now is 8.0 secs Computing kpt #: 33 total cpu time spent up to now is 8.2 secs Computing kpt #: 34 total cpu time spent up to now is 8.3 secs Computing kpt #: 35 total cpu time spent up to now is 8.5 secs Computing kpt #: 36 total cpu time spent up to now is 8.6 secs Computing kpt #: 37 total cpu time spent up to now is 8.8 secs Computing kpt #: 38 total cpu time spent up to now is 9.0 secs Computing kpt #: 39 total cpu time spent up to now is 9.1 secs Computing kpt #: 40 total cpu time spent up to now is 9.3 secs Computing kpt #: 41 total cpu time spent up to now is 9.4 secs Computing kpt #: 42 total cpu time spent up to now is 9.6 secs Computing kpt #: 43 total cpu time spent up to now is 9.7 secs Computing kpt #: 44 total cpu time spent up to now is 9.9 secs Computing kpt #: 45 total cpu time spent up to now is 10.0 secs Computing kpt #: 46 total cpu time spent up to now is 10.2 secs Computing kpt #: 47 total cpu time spent up to now is 10.3 secs Computing kpt #: 48 total cpu time spent up to now is 10.5 secs Computing kpt #: 49 total cpu time spent up to now is 10.6 secs Computing kpt #: 50 total cpu time spent up to now is 10.8 secs Computing kpt #: 51 total cpu time spent up to now is 10.9 secs Computing kpt #: 52 total cpu time spent up to now is 11.1 secs Computing kpt #: 53 total cpu time spent up to now is 11.2 secs Computing kpt #: 54 total cpu time spent up to now is 11.3 secs Computing kpt #: 55 total cpu time spent up to now is 11.5 secs Computing kpt #: 56 total cpu time spent up to now is 11.6 secs Computing kpt #: 57 total cpu time spent up to now is 11.8 secs Computing kpt #: 58 total cpu time spent up to now is 11.9 secs Computing kpt #: 59 total cpu time spent up to now is 12.0 secs Computing kpt #: 60 total cpu time spent up to now is 12.2 secs Computing kpt #: 61 total cpu time spent up to now is 12.3 secs Computing kpt #: 62 total cpu time spent up to now is 12.5 secs Computing kpt #: 63 total cpu time spent up to now is 12.6 secs Computing kpt #: 64 total cpu time spent up to now is 12.7 secs Computing kpt #: 65 total cpu time spent up to now is 12.9 secs Computing kpt #: 66 total cpu time spent up to now is 13.0 secs Computing kpt #: 67 total cpu time spent up to now is 13.2 secs Computing kpt #: 68 total cpu time spent up to now is 13.3 secs Computing kpt #: 69 total cpu time spent up to now is 13.5 secs Computing kpt #: 70 total cpu time spent up to now is 13.7 secs Computing kpt #: 71 total cpu time spent up to now is 13.8 secs Computing kpt #: 72 total cpu time spent up to now is 14.0 secs Computing kpt #: 73 total cpu time spent up to now is 14.1 secs Computing kpt #: 74 total cpu time spent up to now is 14.3 secs Computing kpt #: 75 total cpu time spent up to now is 14.4 secs Computing kpt #: 76 total cpu time spent up to now is 14.6 secs Computing kpt #: 77 total cpu time spent up to now is 14.7 secs Computing kpt #: 78 total cpu time spent up to now is 14.9 secs Computing kpt #: 79 total cpu time spent up to now is 15.0 secs Computing kpt #: 80 total cpu time spent up to now is 15.2 secs Computing kpt #: 81 total cpu time spent up to now is 15.3 secs Computing kpt #: 82 total cpu time spent up to now is 15.5 secs Computing kpt #: 83 total cpu time spent up to now is 15.6 secs Computing kpt #: 84 total cpu time spent up to now is 15.8 secs Computing kpt #: 85 total cpu time spent up to now is 15.9 secs Computing kpt #: 86 total cpu time spent up to now is 16.1 secs Computing kpt #: 87 total cpu time spent up to now is 16.2 secs Computing kpt #: 88 total cpu time spent up to now is 16.4 secs Computing kpt #: 89 total cpu time spent up to now is 16.5 secs Computing kpt #: 90 total cpu time spent up to now is 16.7 secs Computing kpt #: 91 total cpu time spent up to now is 16.9 secs Computing kpt #: 92 total cpu time spent up to now is 17.0 secs Computing kpt #: 93 total cpu time spent up to now is 17.2 secs Computing kpt #: 94 total cpu time spent up to now is 17.4 secs Computing kpt #: 95 total cpu time spent up to now is 17.6 secs Computing kpt #: 96 total cpu time spent up to now is 17.8 secs Computing kpt #: 97 total cpu time spent up to now is 18.0 secs Computing kpt #: 98 total cpu time spent up to now is 18.2 secs Computing kpt #: 99 total cpu time spent up to now is 18.5 secs Computing kpt #: 100 total cpu time spent up to now is 18.7 secs Computing kpt #: 101 total cpu time spent up to now is 19.0 secs Computing kpt #: 102 total cpu time spent up to now is 19.2 secs Computing kpt #: 103 total cpu time spent up to now is 19.5 secs Computing kpt #: 104 total cpu time spent up to now is 19.7 secs Computing kpt #: 105 total cpu time spent up to now is 20.0 secs Computing kpt #: 106 total cpu time spent up to now is 20.3 secs Computing kpt #: 107 total cpu time spent up to now is 20.5 secs Computing kpt #: 108 total cpu time spent up to now is 20.8 secs Computing kpt #: 109 total cpu time spent up to now is 21.0 secs Computing kpt #: 110 total cpu time spent up to now is 21.3 secs Computing kpt #: 111 total cpu time spent up to now is 21.5 secs Computing kpt #: 112 total cpu time spent up to now is 21.8 secs Computing kpt #: 113 total cpu time spent up to now is 22.0 secs Computing kpt #: 114 total cpu time spent up to now is 22.3 secs Computing kpt #: 115 total cpu time spent up to now is 22.6 secs Computing kpt #: 116 total cpu time spent up to now is 22.8 secs Computing kpt #: 117 total cpu time spent up to now is 23.1 secs Computing kpt #: 118 total cpu time spent up to now is 23.4 secs Computing kpt #: 119 total cpu time spent up to now is 23.6 secs Computing kpt #: 120 total cpu time spent up to now is 23.9 secs Computing kpt #: 121 total cpu time spent up to now is 24.2 secs Computing kpt #: 122 total cpu time spent up to now is 24.4 secs Computing kpt #: 123 total cpu time spent up to now is 24.6 secs Computing kpt #: 124 total cpu time spent up to now is 24.8 secs Computing kpt #: 125 total cpu time spent up to now is 25.1 secs Computing kpt #: 126 total cpu time spent up to now is 25.3 secs Computing kpt #: 127 total cpu time spent up to now is 25.5 secs Computing kpt #: 128 total cpu time spent up to now is 25.7 secs Computing kpt #: 129 total cpu time spent up to now is 25.9 secs Computing kpt #: 130 total cpu time spent up to now is 26.1 secs Computing kpt #: 131 total cpu time spent up to now is 26.3 secs Computing kpt #: 132 total cpu time spent up to now is 26.5 secs Computing kpt #: 133 total cpu time spent up to now is 26.8 secs Computing kpt #: 134 total cpu time spent up to now is 27.0 secs Computing kpt #: 135 total cpu time spent up to now is 27.2 secs Computing kpt #: 136 total cpu time spent up to now is 27.4 secs Computing kpt #: 137 total cpu time spent up to now is 27.6 secs Computing kpt #: 138 total cpu time spent up to now is 27.9 secs Computing kpt #: 139 total cpu time spent up to now is 28.0 secs Computing kpt #: 140 total cpu time spent up to now is 28.2 secs Computing kpt #: 141 total cpu time spent up to now is 28.3 secs Computing kpt #: 142 total cpu time spent up to now is 28.5 secs Computing kpt #: 143 total cpu time spent up to now is 28.6 secs Computing kpt #: 144 total cpu time spent up to now is 28.8 secs Computing kpt #: 145 total cpu time spent up to now is 28.9 secs Computing kpt #: 146 total cpu time spent up to now is 29.1 secs Computing kpt #: 147 total cpu time spent up to now is 29.2 secs Computing kpt #: 148 total cpu time spent up to now is 29.4 secs Computing kpt #: 149 total cpu time spent up to now is 29.5 secs Computing kpt #: 150 total cpu time spent up to now is 29.7 secs Computing kpt #: 151 total cpu time spent up to now is 29.8 secs Computing kpt #: 152 total cpu time spent up to now is 29.9 secs Computing kpt #: 153 total cpu time spent up to now is 30.1 secs Computing kpt #: 154 total cpu time spent up to now is 30.3 secs Computing kpt #: 155 total cpu time spent up to now is 30.4 secs Computing kpt #: 156 total cpu time spent up to now is 30.5 secs Computing kpt #: 157 total cpu time spent up to now is 30.7 secs Computing kpt #: 158 total cpu time spent up to now is 30.9 secs Computing kpt #: 159 total cpu time spent up to now is 31.0 secs Computing kpt #: 160 total cpu time spent up to now is 31.2 secs Computing kpt #: 161 total cpu time spent up to now is 31.4 secs Computing kpt #: 162 total cpu time spent up to now is 31.6 secs Computing kpt #: 163 total cpu time spent up to now is 31.8 secs Computing kpt #: 164 total cpu time spent up to now is 32.0 secs Computing kpt #: 165 total cpu time spent up to now is 32.3 secs Computing kpt #: 166 total cpu time spent up to now is 32.5 secs Computing kpt #: 167 total cpu time spent up to now is 32.7 secs Computing kpt #: 168 total cpu time spent up to now is 33.0 secs Computing kpt #: 169 total cpu time spent up to now is 33.2 secs Computing kpt #: 170 total cpu time spent up to now is 33.4 secs Computing kpt #: 171 total cpu time spent up to now is 33.7 secs Computing kpt #: 172 total cpu time spent up to now is 33.9 secs Computing kpt #: 173 total cpu time spent up to now is 34.2 secs Computing kpt #: 174 total cpu time spent up to now is 34.4 secs Computing kpt #: 175 total cpu time spent up to now is 34.6 secs Computing kpt #: 176 total cpu time spent up to now is 34.8 secs Computing kpt #: 177 total cpu time spent up to now is 35.1 secs Computing kpt #: 178 total cpu time spent up to now is 35.3 secs Computing kpt #: 179 total cpu time spent up to now is 35.5 secs Computing kpt #: 180 total cpu time spent up to now is 35.7 secs Computing kpt #: 181 total cpu time spent up to now is 35.9 secs Computing kpt #: 182 total cpu time spent up to now is 36.1 secs Computing kpt #: 183 total cpu time spent up to now is 36.3 secs Computing kpt #: 184 total cpu time spent up to now is 36.4 secs Computing kpt #: 185 total cpu time spent up to now is 36.6 secs Computing kpt #: 186 total cpu time spent up to now is 36.8 secs Computing kpt #: 187 total cpu time spent up to now is 36.9 secs Computing kpt #: 188 total cpu time spent up to now is 37.2 secs Computing kpt #: 189 total cpu time spent up to now is 37.4 secs Computing kpt #: 190 total cpu time spent up to now is 37.6 secs Computing kpt #: 191 total cpu time spent up to now is 37.8 secs Computing kpt #: 192 total cpu time spent up to now is 38.1 secs Computing kpt #: 193 total cpu time spent up to now is 38.3 secs Computing kpt #: 194 total cpu time spent up to now is 38.5 secs Computing kpt #: 195 total cpu time spent up to now is 38.8 secs Computing kpt #: 196 total cpu time spent up to now is 39.0 secs Computing kpt #: 197 total cpu time spent up to now is 39.3 secs Computing kpt #: 198 total cpu time spent up to now is 39.5 secs Computing kpt #: 199 total cpu time spent up to now is 39.7 secs Computing kpt #: 200 total cpu time spent up to now is 40.0 secs Computing kpt #: 201 total cpu time spent up to now is 40.2 secs Computing kpt #: 202 total cpu time spent up to now is 40.4 secs Computing kpt #: 203 total cpu time spent up to now is 40.6 secs Computing kpt #: 204 total cpu time spent up to now is 40.8 secs Computing kpt #: 205 total cpu time spent up to now is 41.0 secs Computing kpt #: 206 total cpu time spent up to now is 41.2 secs Computing kpt #: 207 total cpu time spent up to now is 41.3 secs Computing kpt #: 208 total cpu time spent up to now is 41.5 secs Computing kpt #: 209 total cpu time spent up to now is 41.7 secs Computing kpt #: 210 total cpu time spent up to now is 41.8 secs Computing kpt #: 211 total cpu time spent up to now is 42.0 secs Computing kpt #: 212 total cpu time spent up to now is 42.2 secs Computing kpt #: 213 total cpu time spent up to now is 42.4 secs Computing kpt #: 214 total cpu time spent up to now is 42.6 secs Computing kpt #: 215 total cpu time spent up to now is 42.9 secs Computing kpt #: 216 total cpu time spent up to now is 43.1 secs Computing kpt #: 217 total cpu time spent up to now is 43.4 secs Computing kpt #: 218 total cpu time spent up to now is 43.8 secs Computing kpt #: 219 total cpu time spent up to now is 44.1 secs Computing kpt #: 220 total cpu time spent up to now is 44.3 secs Computing kpt #: 221 total cpu time spent up to now is 44.6 secs Computing kpt #: 222 total cpu time spent up to now is 44.8 secs Computing kpt #: 223 total cpu time spent up to now is 45.1 secs Computing kpt #: 224 total cpu time spent up to now is 45.3 secs Computing kpt #: 225 total cpu time spent up to now is 45.6 secs Computing kpt #: 226 total cpu time spent up to now is 45.8 secs Computing kpt #: 227 total cpu time spent up to now is 46.1 secs Computing kpt #: 228 total cpu time spent up to now is 46.3 secs Computing kpt #: 229 total cpu time spent up to now is 46.6 secs Computing kpt #: 230 total cpu time spent up to now is 46.8 secs Computing kpt #: 231 total cpu time spent up to now is 47.0 secs Computing kpt #: 232 total cpu time spent up to now is 47.2 secs Computing kpt #: 233 total cpu time spent up to now is 47.5 secs Computing kpt #: 234 total cpu time spent up to now is 47.7 secs Computing kpt #: 235 total cpu time spent up to now is 47.9 secs Computing kpt #: 236 total cpu time spent up to now is 48.2 secs Computing kpt #: 237 total cpu time spent up to now is 48.4 secs Computing kpt #: 238 total cpu time spent up to now is 48.5 secs Computing kpt #: 239 total cpu time spent up to now is 48.7 secs Computing kpt #: 240 total cpu time spent up to now is 48.8 secs Computing kpt #: 241 total cpu time spent up to now is 49.0 secs Computing kpt #: 242 total cpu time spent up to now is 49.1 secs Computing kpt #: 243 total cpu time spent up to now is 49.3 secs Computing kpt #: 244 total cpu time spent up to now is 49.5 secs Computing kpt #: 245 total cpu time spent up to now is 49.6 secs Computing kpt #: 246 total cpu time spent up to now is 49.8 secs Computing kpt #: 247 total cpu time spent up to now is 49.9 secs Computing kpt #: 248 total cpu time spent up to now is 50.1 secs Computing kpt #: 249 total cpu time spent up to now is 50.2 secs Computing kpt #: 250 total cpu time spent up to now is 50.4 secs Computing kpt #: 251 total cpu time spent up to now is 50.5 secs Computing kpt #: 252 total cpu time spent up to now is 50.6 secs Computing kpt #: 253 total cpu time spent up to now is 50.8 secs Computing kpt #: 254 total cpu time spent up to now is 50.9 secs Computing kpt #: 255 total cpu time spent up to now is 51.1 secs Computing kpt #: 256 total cpu time spent up to now is 51.2 secs Computing kpt #: 257 total cpu time spent up to now is 51.4 secs Computing kpt #: 258 total cpu time spent up to now is 51.5 secs Computing kpt #: 259 total cpu time spent up to now is 51.7 secs Computing kpt #: 260 total cpu time spent up to now is 51.8 secs Computing kpt #: 261 total cpu time spent up to now is 52.0 secs Computing kpt #: 262 total cpu time spent up to now is 52.1 secs Computing kpt #: 263 total cpu time spent up to now is 52.2 secs Computing kpt #: 264 total cpu time spent up to now is 52.4 secs Computing kpt #: 265 total cpu time spent up to now is 52.5 secs Computing kpt #: 266 total cpu time spent up to now is 52.7 secs Computing kpt #: 267 total cpu time spent up to now is 52.8 secs Computing kpt #: 268 total cpu time spent up to now is 53.0 secs Computing kpt #: 269 total cpu time spent up to now is 53.1 secs Computing kpt #: 270 total cpu time spent up to now is 53.2 secs Computing kpt #: 271 total cpu time spent up to now is 53.4 secs Computing kpt #: 272 total cpu time spent up to now is 53.5 secs Computing kpt #: 273 total cpu time spent up to now is 53.7 secs Computing kpt #: 274 total cpu time spent up to now is 53.8 secs Computing kpt #: 275 total cpu time spent up to now is 54.0 secs Computing kpt #: 276 total cpu time spent up to now is 54.1 secs Computing kpt #: 277 total cpu time spent up to now is 54.2 secs Computing kpt #: 278 total cpu time spent up to now is 54.4 secs Computing kpt #: 279 total cpu time spent up to now is 54.5 secs Computing kpt #: 280 total cpu time spent up to now is 54.6 secs Computing kpt #: 281 total cpu time spent up to now is 54.8 secs Computing kpt #: 282 total cpu time spent up to now is 54.9 secs Computing kpt #: 283 total cpu time spent up to now is 55.1 secs Computing kpt #: 284 total cpu time spent up to now is 55.2 secs Computing kpt #: 285 total cpu time spent up to now is 55.3 secs Computing kpt #: 286 total cpu time spent up to now is 55.5 secs Computing kpt #: 287 total cpu time spent up to now is 55.6 secs Computing kpt #: 288 total cpu time spent up to now is 55.8 secs Computing kpt #: 289 total cpu time spent up to now is 55.9 secs Computing kpt #: 290 total cpu time spent up to now is 56.0 secs Computing kpt #: 291 total cpu time spent up to now is 56.2 secs Computing kpt #: 292 total cpu time spent up to now is 56.3 secs Computing kpt #: 293 total cpu time spent up to now is 56.5 secs Computing kpt #: 294 total cpu time spent up to now is 56.6 secs Computing kpt #: 295 total cpu time spent up to now is 56.8 secs Computing kpt #: 296 total cpu time spent up to now is 56.9 secs Computing kpt #: 297 total cpu time spent up to now is 57.1 secs Computing kpt #: 298 total cpu time spent up to now is 57.2 secs Computing kpt #: 299 total cpu time spent up to now is 57.4 secs Computing kpt #: 300 total cpu time spent up to now is 57.5 secs Computing kpt #: 301 total cpu time spent up to now is 57.7 secs Computing kpt #: 302 total cpu time spent up to now is 57.8 secs Computing kpt #: 303 total cpu time spent up to now is 58.0 secs Computing kpt #: 304 total cpu time spent up to now is 58.1 secs Computing kpt #: 305 total cpu time spent up to now is 58.2 secs Computing kpt #: 306 total cpu time spent up to now is 58.4 secs Computing kpt #: 307 total cpu time spent up to now is 58.5 secs Computing kpt #: 308 total cpu time spent up to now is 58.7 secs Computing kpt #: 309 total cpu time spent up to now is 58.8 secs Computing kpt #: 310 total cpu time spent up to now is 59.0 secs Computing kpt #: 311 total cpu time spent up to now is 59.1 secs Computing kpt #: 312 total cpu time spent up to now is 59.3 secs Computing kpt #: 313 total cpu time spent up to now is 59.4 secs Computing kpt #: 314 total cpu time spent up to now is 59.6 secs Computing kpt #: 315 total cpu time spent up to now is 59.7 secs Computing kpt #: 316 total cpu time spent up to now is 59.9 secs Computing kpt #: 317 total cpu time spent up to now is 60.0 secs Computing kpt #: 318 total cpu time spent up to now is 60.2 secs Computing kpt #: 319 total cpu time spent up to now is 60.3 secs Computing kpt #: 320 total cpu time spent up to now is 60.5 secs Computing kpt #: 321 total cpu time spent up to now is 60.6 secs Computing kpt #: 322 total cpu time spent up to now is 60.8 secs Computing kpt #: 323 total cpu time spent up to now is 60.9 secs Computing kpt #: 324 total cpu time spent up to now is 61.1 secs Computing kpt #: 325 total cpu time spent up to now is 61.2 secs Computing kpt #: 326 total cpu time spent up to now is 61.4 secs Computing kpt #: 327 total cpu time spent up to now is 61.6 secs Computing kpt #: 328 total cpu time spent up to now is 61.7 secs Computing kpt #: 329 total cpu time spent up to now is 61.9 secs Computing kpt #: 330 total cpu time spent up to now is 62.1 secs Computing kpt #: 331 total cpu time spent up to now is 62.2 secs Computing kpt #: 332 total cpu time spent up to now is 62.4 secs Computing kpt #: 333 total cpu time spent up to now is 62.5 secs Computing kpt #: 334 total cpu time spent up to now is 62.7 secs Computing kpt #: 335 total cpu time spent up to now is 62.8 secs Computing kpt #: 336 total cpu time spent up to now is 63.0 secs Computing kpt #: 337 total cpu time spent up to now is 63.1 secs Computing kpt #: 338 total cpu time spent up to now is 63.3 secs Computing kpt #: 339 total cpu time spent up to now is 63.4 secs Computing kpt #: 340 total cpu time spent up to now is 63.6 secs Computing kpt #: 341 total cpu time spent up to now is 63.7 secs Computing kpt #: 342 total cpu time spent up to now is 63.8 secs Computing kpt #: 343 total cpu time spent up to now is 64.0 secs Computing kpt #: 344 total cpu time spent up to now is 64.1 secs Computing kpt #: 345 total cpu time spent up to now is 64.3 secs Computing kpt #: 346 total cpu time spent up to now is 64.4 secs Computing kpt #: 347 total cpu time spent up to now is 64.6 secs Computing kpt #: 348 total cpu time spent up to now is 64.7 secs Computing kpt #: 349 total cpu time spent up to now is 64.8 secs Computing kpt #: 350 total cpu time spent up to now is 65.0 secs Computing kpt #: 351 total cpu time spent up to now is 65.1 secs Computing kpt #: 352 total cpu time spent up to now is 65.3 secs Computing kpt #: 353 total cpu time spent up to now is 65.4 secs Computing kpt #: 354 total cpu time spent up to now is 65.6 secs Computing kpt #: 355 total cpu time spent up to now is 65.9 secs Computing kpt #: 356 total cpu time spent up to now is 66.2 secs Computing kpt #: 357 total cpu time spent up to now is 66.4 secs Computing kpt #: 358 total cpu time spent up to now is 66.7 secs Computing kpt #: 359 total cpu time spent up to now is 66.9 secs Computing kpt #: 360 total cpu time spent up to now is 67.2 secs Computing kpt #: 361 total cpu time spent up to now is 67.4 secs Computing kpt #: 362 total cpu time spent up to now is 67.6 secs Computing kpt #: 363 total cpu time spent up to now is 67.9 secs Computing kpt #: 364 total cpu time spent up to now is 68.1 secs Computing kpt #: 365 total cpu time spent up to now is 68.3 secs Computing kpt #: 366 total cpu time spent up to now is 68.4 secs Computing kpt #: 367 total cpu time spent up to now is 68.7 secs Computing kpt #: 368 total cpu time spent up to now is 68.8 secs Computing kpt #: 369 total cpu time spent up to now is 69.1 secs Computing kpt #: 370 total cpu time spent up to now is 69.2 secs Computing kpt #: 371 total cpu time spent up to now is 69.4 secs Computing kpt #: 372 total cpu time spent up to now is 69.6 secs Computing kpt #: 373 total cpu time spent up to now is 69.7 secs Computing kpt #: 374 total cpu time spent up to now is 69.9 secs Computing kpt #: 375 total cpu time spent up to now is 70.1 secs Computing kpt #: 376 total cpu time spent up to now is 70.2 secs Computing kpt #: 377 total cpu time spent up to now is 70.4 secs Computing kpt #: 378 total cpu time spent up to now is 70.6 secs Computing kpt #: 379 total cpu time spent up to now is 70.8 secs Computing kpt #: 380 total cpu time spent up to now is 70.9 secs Computing kpt #: 381 total cpu time spent up to now is 71.1 secs Computing kpt #: 382 total cpu time spent up to now is 71.2 secs Computing kpt #: 383 total cpu time spent up to now is 71.4 secs Computing kpt #: 384 total cpu time spent up to now is 71.6 secs Computing kpt #: 385 total cpu time spent up to now is 71.7 secs Computing kpt #: 386 total cpu time spent up to now is 71.9 secs Computing kpt #: 387 total cpu time spent up to now is 72.0 secs Computing kpt #: 388 total cpu time spent up to now is 72.2 secs Computing kpt #: 389 total cpu time spent up to now is 72.3 secs Computing kpt #: 390 total cpu time spent up to now is 72.5 secs Computing kpt #: 391 total cpu time spent up to now is 72.6 secs Computing kpt #: 392 total cpu time spent up to now is 72.8 secs Computing kpt #: 393 total cpu time spent up to now is 72.9 secs Computing kpt #: 394 total cpu time spent up to now is 73.1 secs Computing kpt #: 395 total cpu time spent up to now is 73.2 secs Computing kpt #: 396 total cpu time spent up to now is 73.4 secs Computing kpt #: 397 total cpu time spent up to now is 73.5 secs Computing kpt #: 398 total cpu time spent up to now is 73.7 secs Computing kpt #: 399 total cpu time spent up to now is 73.9 secs Computing kpt #: 400 total cpu time spent up to now is 74.0 secs Computing kpt #: 401 total cpu time spent up to now is 74.2 secs Computing kpt #: 402 total cpu time spent up to now is 74.3 secs Computing kpt #: 403 total cpu time spent up to now is 74.5 secs Computing kpt #: 404 total cpu time spent up to now is 74.6 secs Computing kpt #: 405 total cpu time spent up to now is 74.7 secs Computing kpt #: 406 total cpu time spent up to now is 74.9 secs Computing kpt #: 407 total cpu time spent up to now is 75.0 secs ethr = 5.00E-08, avg # of iterations = 22.3 total cpu time spent up to now is 75.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -42.0353 -42.0353 -18.5900 -18.5900 -17.9295 -17.9295 -17.9295 -17.9295 7.4220 7.4220 11.2235 11.2235 11.2235 11.2235 13.8351 13.8351 13.8351 13.8351 13.9154 13.9154 16.1136 16.1136 16.1136 16.1136 17.9517 17.9517 17.9517 17.9517 k = 0.0000 0.0094-0.0000 ( 2108 PWs) bands (ev): -42.0353 -42.0353 -18.5901 -18.5901 -17.9297 -17.9297 -17.9295 -17.9295 7.4238 7.4238 11.2244 11.2244 11.2244 11.2244 13.8350 13.8350 13.8354 13.8354 13.9155 13.9155 16.1126 16.1126 16.1141 16.1141 17.9489 17.9489 17.9505 17.9505 k = 0.0000 0.0189-0.0000 ( 2108 PWs) bands (ev): -42.0352 -42.0352 -18.5903 -18.5903 -17.9303 -17.9303 -17.9295 -17.9295 7.4292 7.4292 11.2269 11.2269 11.2271 11.2271 13.8346 13.8346 13.8360 13.8360 13.9156 13.9156 16.1094 16.1094 16.1153 16.1153 17.9407 17.9407 17.9464 17.9464 k = 0.0000 0.0283-0.0000 ( 2108 PWs) bands (ev): -42.0351 -42.0351 -18.5907 -18.5907 -17.9312 -17.9312 -17.9294 -17.9294 7.4382 7.4382 11.2313 11.2313 11.2317 11.2317 13.8339 13.8339 13.8370 13.8370 13.9158 13.9158 16.1040 16.1040 16.1174 16.1174 17.9270 17.9270 17.9387 17.9387 k = 0.0000 0.0377-0.0000 ( 2108 PWs) bands (ev): -42.0349 -42.0349 -18.5912 -18.5912 -17.9325 -17.9325 -17.9292 -17.9292 7.4509 7.4509 11.2373 11.2373 11.2381 11.2381 13.8329 13.8329 13.8384 13.8384 13.9163 13.9163 16.0965 16.0965 16.1203 16.1203 17.9080 17.9080 17.9259 17.9259 k = 0.0000 0.0472-0.0000 ( 2108 PWs) bands (ev): -42.0346 -42.0346 -18.5919 -18.5919 -17.9341 -17.9341 -17.9290 -17.9290 7.4671 7.4671 11.2451 11.2451 11.2462 11.2462 13.8316 13.8316 13.8400 13.8400 13.9169 13.9169 16.0869 16.0869 16.1239 16.1239 17.8839 17.8839 17.9068 17.9068 k = 0.0000 0.0566-0.0000 ( 2108 PWs) bands (ev): -42.0343 -42.0343 -18.5928 -18.5928 -17.9361 -17.9361 -17.9288 -17.9288 7.4869 7.4869 11.2546 11.2546 11.2560 11.2560 13.8301 13.8301 13.8417 13.8417 13.9180 13.9180 16.0752 16.0752 16.1284 16.1284 17.8549 17.8549 17.8814 17.8814 k = 0.0000 0.0660-0.0000 ( 2116 PWs) bands (ev): -42.0339 -42.0339 -18.5938 -18.5938 -17.9384 -17.9384 -17.9286 -17.9286 7.5102 7.5102 11.2657 11.2657 11.2675 11.2675 13.8284 13.8284 13.8436 13.8436 13.9194 13.9194 16.0614 16.0614 16.1335 16.1335 17.8214 17.8214 17.8502 17.8502 k = 0.0000 0.0755-0.0000 ( 2116 PWs) bands (ev): -42.0335 -42.0335 -18.5950 -18.5950 -17.9411 -17.9411 -17.9283 -17.9283 7.5371 7.5371 11.2786 11.2786 11.2807 11.2807 13.8264 13.8264 13.8453 13.8453 13.9215 13.9215 16.0455 16.0455 16.1394 16.1394 17.7835 17.7835 17.8140 17.8140 k = 0.0000 0.0849-0.0000 ( 2124 PWs) bands (ev): -42.0330 -42.0330 -18.5963 -18.5963 -17.9440 -17.9440 -17.9280 -17.9280 7.5674 7.5674 11.2932 11.2932 11.2954 11.2954 13.8241 13.8241 13.8468 13.8468 13.9243 13.9243 16.0275 16.0275 16.1458 16.1458 17.7416 17.7416 17.7734 17.7734 k = 0.0000 0.0943-0.0000 ( 2132 PWs) bands (ev): -42.0325 -42.0325 -18.5978 -18.5978 -17.9473 -17.9473 -17.9276 -17.9276 7.6013 7.6013 11.3094 11.3094 11.3116 11.3116 13.8217 13.8217 13.8480 13.8480 13.9280 13.9280 16.0075 16.0075 16.1529 16.1529 17.6960 17.6960 17.7288 17.7288 k = 0.0000 0.1038-0.0000 ( 2132 PWs) bands (ev): -42.0319 -42.0319 -18.5994 -18.5994 -17.9508 -17.9508 -17.9272 -17.9272 7.6385 7.6385 11.3273 11.3273 11.3293 11.3293 13.8191 13.8191 13.8488 13.8488 13.9327 13.9327 15.9854 15.9854 16.1605 16.1605 17.6471 17.6471 17.6807 17.6807 k = 0.0000 0.1132-0.0000 ( 2132 PWs) bands (ev): -42.0313 -42.0313 -18.6012 -18.6012 -17.9546 -17.9546 -17.9268 -17.9268 7.6792 7.6792 11.3469 11.3469 11.3483 11.3483 13.8164 13.8164 13.8490 13.8490 13.9384 13.9384 15.9614 15.9614 16.1685 16.1685 17.5952 17.5952 17.6295 17.6295 k = 0.0000 0.1226-0.0000 ( 2140 PWs) bands (ev): -42.0306 -42.0306 -18.6032 -18.6032 -17.9586 -17.9586 -17.9263 -17.9263 7.7232 7.7232 11.3681 11.3681 11.3685 11.3685 13.8135 13.8135 13.8488 13.8488 13.9451 13.9451 15.9354 15.9354 16.1768 16.1768 17.5407 17.5407 17.5755 17.5755 k = 0.0000 0.1321-0.0000 ( 2140 PWs) bands (ev): -42.0299 -42.0299 -18.6053 -18.6053 -17.9628 -17.9628 -17.9258 -17.9258 7.7706 7.7706 11.3899 11.3899 11.3909 11.3909 13.8104 13.8104 13.8481 13.8481 13.9528 13.9528 15.9074 15.9074 16.1855 16.1855 17.4838 17.4838 17.5191 17.5191 k = 0.0000 0.1415-0.0000 ( 2148 PWs) bands (ev): -42.0291 -42.0291 -18.6076 -18.6076 -17.9672 -17.9672 -17.9253 -17.9253 7.8212 7.8212 11.4123 11.4123 11.4153 11.4153 13.8073 13.8073 13.8469 13.8469 13.9614 13.9614 15.8776 15.8776 16.1943 16.1943 17.4249 17.4249 17.4606 17.4606 k = 0.0000 0.1509-0.0000 ( 2140 PWs) bands (ev): -42.0283 -42.0283 -18.6100 -18.6100 -17.9718 -17.9718 -17.9248 -17.9248 7.8750 7.8750 11.4356 11.4356 11.4412 11.4412 13.8041 13.8041 13.8455 13.8455 13.9709 13.9709 15.8459 15.8459 16.2031 16.2031 17.3643 17.3643 17.4004 17.4004 k = 0.0000 0.1604-0.0000 ( 2140 PWs) bands (ev): -42.0275 -42.0275 -18.6126 -18.6126 -17.9765 -17.9765 -17.9242 -17.9242 7.9320 7.9320 11.4598 11.4598 11.4687 11.4687 13.8009 13.8009 13.8437 13.8437 13.9813 13.9813 15.8123 15.8123 16.2119 16.2119 17.3024 17.3024 17.3388 17.3388 k = 0.0000 0.1698-0.0000 ( 2140 PWs) bands (ev): -42.0267 -42.0267 -18.6154 -18.6154 -17.9813 -17.9813 -17.9237 -17.9237 7.9921 7.9921 11.4845 11.4845 11.4978 11.4978 13.7976 13.7976 13.8417 13.8417 13.9924 13.9924 15.7770 15.7770 16.2205 16.2205 17.2393 17.2393 17.2759 17.2759 k = 0.0000 0.1792-0.0000 ( 2132 PWs) bands (ev): -42.0258 -42.0258 -18.6182 -18.6182 -17.9862 -17.9862 -17.9231 -17.9231 8.0552 8.0552 11.5098 11.5098 11.5283 11.5283 13.7944 13.7944 13.8396 13.8396 14.0042 14.0042 15.7399 15.7399 16.2287 16.2287 17.1754 17.1754 17.2122 17.2122 k = 0.0000 0.1887-0.0000 ( 2132 PWs) bands (ev): -42.0249 -42.0249 -18.6213 -18.6213 -17.9912 -17.9912 -17.9224 -17.9224 8.1213 8.1213 11.5354 11.5354 11.5603 11.5603 13.7911 13.7911 13.8374 13.8374 14.0165 14.0165 15.7012 15.7012 16.2364 16.2364 17.1109 17.1109 17.1479 17.1479 k = 0.0000 0.1981-0.0000 ( 2140 PWs) bands (ev): -42.0239 -42.0239 -18.6244 -18.6244 -17.9963 -17.9963 -17.9218 -17.9218 8.1903 8.1903 11.5611 11.5611 11.5937 11.5937 13.7879 13.7879 13.8350 13.8350 14.0295 14.0295 15.6608 15.6608 16.2433 16.2433 17.0460 17.0460 17.0831 17.0831 k = 0.0000 0.2075-0.0000 ( 2132 PWs) bands (ev): -42.0230 -42.0230 -18.6277 -18.6277 -18.0014 -18.0014 -17.9212 -17.9212 8.2622 8.2622 11.5869 11.5869 11.6285 11.6285 13.7848 13.7848 13.8327 13.8327 14.0429 14.0429 15.6189 15.6189 16.2494 16.2494 16.9811 16.9811 17.0182 17.0182 k = 0.0000 0.2170-0.0000 ( 2136 PWs) bands (ev): -42.0220 -42.0220 -18.6311 -18.6311 -18.0064 -18.0064 -17.9205 -17.9205 8.3367 8.3367 11.6125 11.6125 11.6647 11.6647 13.7817 13.7817 13.8304 13.8304 14.0568 14.0568 15.5754 15.5754 16.2544 16.2544 16.9162 16.9162 16.9534 16.9534 k = 0.0000 0.2264-0.0000 ( 2136 PWs) bands (ev): -42.0210 -42.0210 -18.6347 -18.6347 -18.0115 -18.0115 -17.9199 -17.9199 8.4139 8.4139 11.6378 11.6378 11.7022 11.7022 13.7788 13.7788 13.8282 13.8282 14.0711 14.0711 15.5305 15.5305 16.2581 16.2581 16.8516 16.8516 16.8888 16.8888 k = 0.0000 0.2358-0.0000 ( 2136 PWs) bands (ev): -42.0200 -42.0200 -18.6383 -18.6383 -18.0165 -18.0165 -17.9192 -17.9192 8.4937 8.4937 11.6625 11.6625 11.7410 11.7410 13.7760 13.7760 13.8260 13.8260 14.0858 14.0858 15.4842 15.4842 16.2602 16.2602 16.7875 16.7875 16.8246 16.8246 k = 0.0000 0.2453-0.0000 ( 2144 PWs) bands (ev): -42.0190 -42.0190 -18.6420 -18.6420 -18.0215 -18.0215 -17.9185 -17.9185 8.5760 8.5760 11.6864 11.6864 11.7810 11.7810 13.7734 13.7734 13.8240 13.8240 14.1007 14.1007 15.4366 15.4366 16.2606 16.2606 16.7241 16.7241 16.7611 16.7611 k = 0.0000 0.2547-0.0000 ( 2148 PWs) bands (ev): -42.0180 -42.0180 -18.6458 -18.6458 -18.0263 -18.0263 -17.9178 -17.9178 8.6606 8.6606 11.7093 11.7093 11.8221 11.8221 13.7709 13.7709 13.8221 13.8221 14.1158 14.1158 15.3878 15.3878 16.2589 16.2589 16.6615 16.6615 16.6984 16.6984 k = 0.0000 0.2642-0.0000 ( 2148 PWs) bands (ev): -42.0170 -42.0170 -18.6497 -18.6497 -18.0311 -18.0311 -17.9172 -17.9172 8.7475 8.7475 11.7310 11.7310 11.8644 11.8644 13.7686 13.7686 13.8203 13.8203 14.1311 14.1311 15.3379 15.3379 16.2550 16.2550 16.6000 16.6000 16.6367 16.6367 k = 0.0000 0.2736-0.0000 ( 2148 PWs) bands (ev): -42.0160 -42.0160 -18.6536 -18.6536 -18.0358 -18.0358 -17.9165 -17.9165 8.8366 8.8366 11.7513 11.7513 11.9077 11.9077 13.7665 13.7665 13.8188 13.8188 14.1466 14.1466 15.2869 15.2869 16.2487 16.2487 16.5396 16.5396 16.5760 16.5760 k = 0.0000 0.2830-0.0000 ( 2148 PWs) bands (ev): -42.0151 -42.0151 -18.6576 -18.6576 -18.0404 -18.0404 -17.9158 -17.9158 8.9276 8.9276 11.7699 11.7699 11.9520 11.9520 13.7647 13.7647 13.8174 13.8174 14.1621 14.1621 15.2350 15.2350 16.2397 16.2397 16.4805 16.4805 16.5166 16.5166 k = 0.0000 0.2925-0.0000 ( 2148 PWs) bands (ev): -42.0141 -42.0141 -18.6615 -18.6615 -18.0448 -18.0448 -17.9152 -17.9152 9.0206 9.0206 11.7865 11.7865 11.9971 11.9971 13.7630 13.7630 13.8163 13.8163 14.1775 14.1775 15.1822 15.1822 16.2278 16.2278 16.4228 16.4228 16.4587 16.4587 k = 0.0000 0.3019-0.0000 ( 2140 PWs) bands (ev): -42.0131 -42.0131 -18.6655 -18.6655 -18.0490 -18.0490 -17.9145 -17.9145 9.1154 9.1154 11.8009 11.8009 12.0431 12.0431 13.7615 13.7615 13.8153 13.8153 14.1930 14.1930 15.1287 15.1287 16.2129 16.2129 16.3668 16.3668 16.4022 16.4022 k = 0.0000 0.3113-0.0000 ( 2140 PWs) bands (ev): -42.0122 -42.0122 -18.6695 -18.6695 -18.0531 -18.0531 -17.9139 -17.9139 9.2117 9.2117 11.8129 11.8129 12.0898 12.0898 13.7603 13.7603 13.8146 13.8146 14.2083 14.2083 15.0747 15.0747 16.1948 16.1948 16.3126 16.3126 16.3474 16.3474 k = 0.0000 0.3208-0.0000 ( 2148 PWs) bands (ev): -42.0113 -42.0113 -18.6734 -18.6734 -18.0571 -18.0571 -17.9133 -17.9133 9.3096 9.3096 11.8220 11.8220 12.1372 12.1372 13.7593 13.7593 13.8141 13.8141 14.2234 14.2234 15.0201 15.0201 16.1735 16.1735 16.2603 16.2603 16.2944 16.2944 k = 0.0000 0.3302-0.0000 ( 2148 PWs) bands (ev): -42.0104 -42.0104 -18.6773 -18.6773 -18.0608 -18.0608 -17.9127 -17.9127 9.4087 9.4087 11.8282 11.8282 12.1850 12.1850 13.7585 13.7585 13.8138 13.8138 14.2383 14.2383 14.9652 14.9652 16.1489 16.1489 16.2102 16.2102 16.2433 16.2433 k = 0.0000 0.3396-0.0000 ( 2144 PWs) bands (ev): -42.0095 -42.0095 -18.6812 -18.6812 -18.0644 -18.0644 -17.9121 -17.9121 9.5090 9.5090 11.8311 11.8311 12.2331 12.2331 13.7579 13.7579 13.8138 13.8138 14.2528 14.2528 14.9102 14.9102 16.1209 16.1209 16.1628 16.1628 16.1941 16.1941 k = 0.0000 0.3491-0.0000 ( 2144 PWs) bands (ev): -42.0087 -42.0087 -18.6849 -18.6849 -18.0678 -18.0678 -17.9115 -17.9115 9.6102 9.6102 11.8305 11.8305 12.2815 12.2815 13.7575 13.7575 13.8139 13.8139 14.2670 14.2670 14.8553 14.8553 16.0891 16.0891 16.1185 16.1185 16.1471 16.1471 k = 0.0000 0.3585-0.0000 ( 2136 PWs) bands (ev): -42.0079 -42.0079 -18.6885 -18.6885 -18.0709 -18.0709 -17.9110 -17.9110 9.7121 9.7121 11.8260 11.8260 12.3298 12.3298 13.7573 13.7573 13.8142 13.8142 14.2807 14.2807 14.8005 14.8005 16.0537 16.0537 16.0779 16.0779 16.1024 16.1024 k = 0.0000 0.3679-0.0000 ( 2144 PWs) bands (ev): -42.0071 -42.0071 -18.6920 -18.6920 -18.0739 -18.0739 -17.9105 -17.9105 9.8146 9.8146 11.8175 11.8175 12.3781 12.3781 13.7572 13.7572 13.8147 13.8147 14.2938 14.2938 14.7462 14.7462 16.0160 16.0160 16.0400 16.0400 16.0599 16.0599 k = 0.0000 0.3774-0.0000 ( 2136 PWs) bands (ev): -42.0064 -42.0064 -18.6954 -18.6954 -18.0767 -18.0767 -17.9100 -17.9100 9.9173 9.9173 11.8046 11.8046 12.4259 12.4259 13.7574 13.7574 13.8153 13.8153 14.3064 14.3064 14.6926 14.6926 15.9782 15.9782 16.0031 16.0031 16.0199 16.0199 k = 0.0000 0.3868-0.0000 ( 2136 PWs) bands (ev): -42.0057 -42.0057 -18.6985 -18.6985 -18.0793 -18.0793 -17.9096 -17.9096 10.0201 10.0201 11.7873 11.7873 12.4731 12.4731 13.7576 13.7576 13.8161 13.8161 14.3183 14.3183 14.6400 14.6400 15.9418 15.9418 15.9666 15.9666 15.9824 15.9824 k = 0.0000 0.3962-0.0000 ( 2136 PWs) bands (ev): -42.0051 -42.0051 -18.7015 -18.7015 -18.0816 -18.0816 -17.9091 -17.9091 10.1227 10.1227 11.7652 11.7652 12.5193 12.5193 13.7579 13.7579 13.8169 13.8169 14.3295 14.3295 14.5888 14.5888 15.9072 15.9072 15.9307 15.9307 15.9475 15.9475 k = 0.0000 0.4057-0.0000 ( 2136 PWs) bands (ev): -42.0045 -42.0045 -18.7043 -18.7043 -18.0838 -18.0838 -17.9087 -17.9087 10.2247 10.2247 11.7383 11.7383 12.5642 12.5642 13.7583 13.7583 13.8179 13.8179 14.3397 14.3397 14.5394 14.5394 15.8746 15.8746 15.8958 15.8958 15.9153 15.9153 k = 0.0000 0.4151-0.0000 ( 2136 PWs) bands (ev): -42.0040 -42.0040 -18.7069 -18.7069 -18.0858 -18.0858 -17.9084 -17.9084 10.3259 10.3259 11.7064 11.7064 12.6074 12.6074 13.7588 13.7588 13.8189 13.8189 14.3489 14.3489 14.4923 14.4923 15.8437 15.8437 15.8630 15.8630 15.8859 15.8859 k = 0.0000 0.4245-0.0000 ( 2132 PWs) bands (ev): -42.0035 -42.0035 -18.7093 -18.7093 -18.0875 -18.0875 -17.9081 -17.9081 10.4259 10.4259 11.6695 11.6695 12.6485 12.6485 13.7593 13.7593 13.8199 13.8199 14.3566 14.3566 14.4485 14.4485 15.8143 15.8143 15.8332 15.8332 15.8594 15.8594 k = 0.0000 0.4340-0.0000 ( 2132 PWs) bands (ev): -42.0031 -42.0031 -18.7114 -18.7114 -18.0891 -18.0891 -17.9078 -17.9078 10.5243 10.5243 11.6277 11.6277 12.6869 12.6869 13.7599 13.7599 13.8209 13.8209 14.3608 14.3608 14.4101 14.4101 15.7863 15.7863 15.8074 15.8074 15.8358 15.8358 k = 0.0000 0.4434-0.0000 ( 2132 PWs) bands (ev): -42.0027 -42.0027 -18.7133 -18.7133 -18.0904 -18.0904 -17.9075 -17.9075 10.6206 10.6206 11.5810 11.5810 12.7221 12.7221 13.7604 13.7604 13.8218 13.8218 14.3516 14.3516 14.3880 14.3880 15.7601 15.7601 15.7855 15.7855 15.8152 15.8152 k = 0.0000 0.4528-0.0000 ( 2132 PWs) bands (ev): -42.0024 -42.0024 -18.7148 -18.7148 -18.0915 -18.0915 -17.9073 -17.9073 10.7143 10.7143 11.5299 11.5299 12.7534 12.7534 13.7608 13.7608 13.8227 13.8227 14.3250 14.3250 14.3865 14.3865 15.7366 15.7366 15.7672 15.7672 15.7976 15.7976 k = 0.0000 0.4623-0.0000 ( 2132 PWs) bands (ev): -42.0021 -42.0021 -18.7162 -18.7162 -18.0925 -18.0925 -17.9071 -17.9071 10.8044 10.8044 11.4749 11.4749 12.7802 12.7802 13.7613 13.7613 13.8235 13.8235 14.2978 14.2978 14.3895 14.3895 15.7166 15.7166 15.7524 15.7524 15.7832 15.7832 k = 0.0000 0.4717-0.0000 ( 2124 PWs) bands (ev): -42.0019 -42.0019 -18.7172 -18.7172 -18.0932 -18.0932 -17.9070 -17.9070 10.8897 10.8897 11.4172 11.4172 12.8019 12.8019 13.7616 13.7616 13.8242 13.8242 14.2751 14.2751 14.3926 14.3926 15.7006 15.7006 15.7409 15.7409 15.7720 15.7720 k = 0.0000 0.4811-0.0000 ( 2116 PWs) bands (ev): -42.0018 -42.0018 -18.7179 -18.7179 -18.0937 -18.0937 -17.9069 -17.9069 10.9671 10.9671 11.3596 11.3596 12.8179 12.8179 13.7619 13.7619 13.8247 13.8247 14.2582 14.2582 14.3950 14.3950 15.6889 15.6889 15.7327 15.7327 15.7639 15.7639 k = 0.0000 0.4906-0.0000 ( 2104 PWs) bands (ev): -42.0017 -42.0017 -18.7184 -18.7184 -18.0940 -18.0940 -17.9068 -17.9068 11.0290 11.0290 11.3096 11.3096 12.8277 12.8277 13.7620 13.7620 13.8250 13.8250 14.2477 14.2477 14.3965 14.3965 15.6818 15.6818 15.7278 15.7278 15.7590 15.7590 k = 0.0000 0.5000-0.0000 ( 2104 PWs) bands (ev): -42.0016 -42.0016 -18.7185 -18.7185 -18.0941 -18.0941 -17.9068 -17.9068 11.0556 11.0556 11.2869 11.2869 12.8310 12.8310 13.7621 13.7621 13.8251 13.8251 14.2442 14.2442 14.3971 14.3971 15.6794 15.6794 15.7262 15.7262 15.7574 15.7574 k = 0.0000 0.5000-0.0000 ( 2104 PWs) bands (ev): -42.0016 -42.0016 -18.7185 -18.7185 -18.0941 -18.0941 -17.9068 -17.9068 11.0556 11.0556 11.2869 11.2869 12.8310 12.8310 13.7621 13.7621 13.8251 13.8251 14.2442 14.2442 14.3971 14.3971 15.6794 15.6794 15.7262 15.7262 15.7574 15.7574 k = 0.0094 0.5000-0.0000 ( 2104 PWs) bands (ev): -42.0016 -42.0016 -18.7185 -18.7185 -18.0941 -18.0941 -17.9069 -17.9069 11.0561 11.0561 11.2878 11.2878 12.8307 12.8307 13.7594 13.7594 13.8221 13.8221 14.2506 14.2506 14.3935 14.3935 15.6643 15.6643 15.7366 15.7366 15.7672 15.7672 k = 0.0189 0.5000-0.0000 ( 2118 PWs) bands (ev): -42.0015 -42.0015 -18.7186 -18.7186 -18.0943 -18.0943 -17.9073 -17.9073 11.0575 11.0575 11.2904 11.2904 12.8299 12.8299 13.7511 13.7511 13.8139 13.8139 14.2689 14.2689 14.3831 14.3831 15.6369 15.6369 15.7535 15.7535 15.7930 15.7930 k = 0.0283 0.5000-0.0000 ( 2130 PWs) bands (ev): -42.0014 -42.0014 -18.7187 -18.7187 -18.0946 -18.0946 -17.9078 -17.9078 11.0598 11.0598 11.2947 11.2947 12.8285 12.8285 13.7371 13.7371 13.8027 13.8027 14.2968 14.2968 14.3666 14.3666 15.6078 15.6078 15.7747 15.7747 15.8258 15.8258 k = 0.0377 0.5000-0.0000 ( 2130 PWs) bands (ev): -42.0012 -42.0012 -18.7188 -18.7188 -18.0949 -18.0949 -17.9087 -17.9087 11.0630 11.0630 11.3007 11.3007 12.8267 12.8267 13.7181 13.7181 13.7901 13.7901 14.3260 14.3260 14.3507 14.3507 15.5789 15.5789 15.8020 15.8020 15.8614 15.8614 k = 0.0472 0.5000-0.0000 ( 2134 PWs) bands (ev): -42.0010 -42.0010 -18.7190 -18.7190 -18.0954 -18.0954 -17.9097 -17.9097 11.0669 11.0669 11.3082 11.3082 12.8247 12.8247 13.6955 13.6955 13.7768 13.7768 14.3100 14.3100 14.3805 14.3805 15.5509 15.5509 15.8351 15.8351 15.8985 15.8985 k = 0.0566 0.5000-0.0000 ( 2134 PWs) bands (ev): -42.0007 -42.0007 -18.7192 -18.7192 -18.0960 -18.0960 -17.9109 -17.9109 11.0715 11.0715 11.3171 11.3171 12.8225 12.8225 13.6711 13.6711 13.7625 13.7625 14.2777 14.2777 14.4266 14.4266 15.5240 15.5240 15.8736 15.8736 15.9365 15.9365 k = 0.0660 0.5000-0.0000 ( 2134 PWs) bands (ev): -42.0003 -42.0003 -18.7195 -18.7195 -18.0967 -18.0967 -17.9123 -17.9123 11.0766 11.0766 11.3272 11.3272 12.8204 12.8204 13.6465 13.6465 13.7471 13.7471 14.2408 14.2408 14.4770 14.4770 15.4984 15.4984 15.9167 15.9167 15.9751 15.9751 k = 0.0755 0.5000-0.0000 ( 2134 PWs) bands (ev): -42.0000 -42.0000 -18.7198 -18.7198 -18.0975 -18.0975 -17.9139 -17.9139 11.0821 11.0821 11.3384 11.3384 12.8187 12.8187 13.6227 13.6227 13.7302 13.7302 14.2004 14.2004 14.5303 14.5303 15.4740 15.4740 15.9637 15.9637 16.0141 16.0141 k = 0.0849 0.5000-0.0000 ( 2138 PWs) bands (ev): -41.9995 -41.9995 -18.7202 -18.7202 -18.0984 -18.0984 -17.9156 -17.9156 11.0879 11.0879 11.3505 11.3505 12.8175 12.8175 13.6005 13.6005 13.7118 13.7118 14.1575 14.1575 14.5859 14.5859 15.4510 15.4510 16.0139 16.0139 16.0535 16.0535 k = 0.0943 0.5000-0.0000 ( 2138 PWs) bands (ev): -41.9991 -41.9991 -18.7206 -18.7206 -18.0995 -18.0995 -17.9175 -17.9175 11.0937 11.0937 11.3632 11.3632 12.8171 12.8171 13.5808 13.5808 13.6921 13.6921 14.1125 14.1125 14.6433 14.6433 15.4293 15.4293 16.0666 16.0666 16.0932 16.0932 k = 0.1038 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9985 -41.9985 -18.7210 -18.7210 -18.1007 -18.1007 -17.9195 -17.9195 11.0994 11.0994 11.3763 11.3763 12.8180 12.8180 13.5639 13.5639 13.6710 13.6710 14.0659 14.0659 14.7022 14.7022 15.4090 15.4090 16.1194 16.1194 16.1348 16.1348 k = 0.1132 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9980 -41.9980 -18.7215 -18.7215 -18.1021 -18.1021 -17.9216 -17.9216 11.1047 11.1047 11.3896 11.3896 12.8203 12.8203 13.5503 13.5503 13.6487 13.6487 14.0182 14.0182 14.7623 14.7623 15.3900 15.3900 16.1651 16.1651 16.1851 16.1851 k = 0.1226 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9974 -41.9974 -18.7221 -18.7221 -18.1036 -18.1036 -17.9237 -17.9237 11.1095 11.1095 11.4027 11.4027 12.8244 12.8244 13.5402 13.5402 13.6254 13.6254 13.9697 13.9697 14.8234 14.8234 15.3723 15.3723 16.2045 16.2045 16.2425 16.2425 k = 0.1321 0.5000-0.0000 ( 2138 PWs) bands (ev): -41.9967 -41.9967 -18.7227 -18.7227 -18.1053 -18.1053 -17.9259 -17.9259 11.1136 11.1136 11.4154 11.4154 12.8307 12.8307 13.5335 13.5335 13.6018 13.6018 13.9208 13.9208 14.8853 14.8853 15.3559 15.3559 16.2420 16.2420 16.3022 16.3022 k = 0.1415 0.5000-0.0000 ( 2140 PWs) bands (ev): -41.9960 -41.9960 -18.7234 -18.7234 -18.1071 -18.1071 -17.9281 -17.9281 11.1166 11.1166 11.4274 11.4274 12.8394 12.8394 13.5291 13.5291 13.5793 13.5793 13.8716 13.8716 14.9477 14.9477 15.3408 15.3408 16.2783 16.2783 16.3631 16.3631 k = 0.1509 0.5000-0.0000 ( 2144 PWs) bands (ev): -41.9953 -41.9953 -18.7241 -18.7241 -18.1091 -18.1091 -17.9303 -17.9303 11.1185 11.1185 11.4385 11.4385 12.8509 12.8509 13.5220 13.5220 13.5634 13.5634 13.8225 13.8225 15.0105 15.0105 15.3269 15.3269 16.3132 16.3132 16.4248 16.4248 k = 0.1604 0.5000-0.0000 ( 2144 PWs) bands (ev): -41.9946 -41.9946 -18.7249 -18.7249 -18.1113 -18.1113 -17.9325 -17.9325 11.1190 11.1190 11.4484 11.4484 12.8655 12.8655 13.5043 13.5043 13.5624 13.5624 13.7736 13.7736 15.0735 15.0735 15.3144 15.3144 16.3468 16.3468 16.4870 16.4870 k = 0.1698 0.5000-0.0000 ( 2144 PWs) bands (ev): -41.9938 -41.9938 -18.7258 -18.7258 -18.1136 -18.1136 -17.9346 -17.9346 11.1181 11.1181 11.4569 11.4569 12.8833 12.8833 13.4792 13.4792 13.5731 13.5731 13.7253 13.7253 15.1363 15.1363 15.3034 15.3034 16.3789 16.3789 16.5494 16.5494 k = 0.1792 0.5000-0.0000 ( 2144 PWs) bands (ev): -41.9930 -41.9930 -18.7268 -18.7268 -18.1162 -18.1162 -17.9367 -17.9367 11.1155 11.1155 11.4639 11.4639 12.9047 12.9047 13.4513 13.4513 13.5908 13.5908 13.6780 13.6780 15.1977 15.1977 15.2950 15.2950 16.4092 16.4092 16.6119 16.6119 k = 0.1887 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9922 -41.9922 -18.7278 -18.7278 -18.1188 -18.1188 -17.9387 -17.9387 11.1113 11.1113 11.4691 11.4691 12.9297 12.9297 13.4221 13.4221 13.6084 13.6084 13.6379 13.6379 15.2496 15.2496 15.2969 15.2969 16.4375 16.4375 16.6743 16.6743 k = 0.1981 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9913 -41.9913 -18.7289 -18.7289 -18.1216 -18.1216 -17.9406 -17.9406 11.1054 11.1054 11.4727 11.4727 12.9585 12.9585 13.3922 13.3922 13.5786 13.5786 13.6517 13.6517 15.2625 15.2625 15.3387 15.3387 16.4638 16.4638 16.7364 16.7364 k = 0.2075 0.5000-0.0000 ( 2150 PWs) bands (ev): -41.9905 -41.9905 -18.7300 -18.7300 -18.1246 -18.1246 -17.9424 -17.9424 11.0977 11.0977 11.4744 11.4744 12.9912 12.9912 13.3619 13.3619 13.5341 13.5341 13.6869 13.6869 15.2581 15.2581 15.3984 15.3984 16.4877 16.4877 16.7981 16.7981 k = 0.2170 0.5000-0.0000 ( 2150 PWs) bands (ev): -41.9896 -41.9896 -18.7313 -18.7313 -18.1277 -18.1277 -17.9441 -17.9441 11.0884 11.0884 11.4744 11.4744 13.0276 13.0276 13.3314 13.3314 13.4896 13.4896 13.7286 13.7286 15.2520 15.2520 15.4603 15.4603 16.5092 16.5092 16.8592 16.8592 k = 0.2264 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9887 -41.9887 -18.7326 -18.7326 -18.1309 -18.1309 -17.9457 -17.9457 11.0775 11.0775 11.4727 11.4727 13.0677 13.0677 13.3008 13.3008 13.4461 13.4461 13.7759 13.7759 15.2460 15.2460 15.5223 15.5223 16.5280 16.5280 16.9197 16.9197 k = 0.2358 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9878 -41.9878 -18.7339 -18.7339 -18.1342 -18.1342 -17.9471 -17.9471 11.0651 11.0651 11.4693 11.4693 13.1111 13.1111 13.2704 13.2704 13.4038 13.4038 13.8284 13.8284 15.2404 15.2404 15.5840 15.5840 16.5440 16.5440 16.9794 16.9794 k = 0.2453 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9869 -41.9869 -18.7353 -18.7353 -18.1376 -18.1376 -17.9484 -17.9484 11.0513 11.0513 11.4644 11.4644 13.1567 13.1567 13.2410 13.2410 13.3634 13.3634 13.8858 13.8858 15.2354 15.2354 15.6450 15.6450 16.5570 16.5570 17.0381 17.0381 k = 0.2547 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9860 -41.9860 -18.7368 -18.7368 -18.1411 -18.1411 -17.9496 -17.9496 11.0364 11.0364 11.4582 11.4582 13.1934 13.1934 13.2215 13.2215 13.3270 13.3270 13.9479 13.9479 15.2310 15.2310 15.7053 15.7053 16.5668 16.5668 17.0958 17.0958 k = 0.2642 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9851 -41.9851 -18.7384 -18.7384 -18.1446 -18.1446 -17.9507 -17.9507 11.0203 11.0203 11.4508 11.4508 13.1754 13.1754 13.2437 13.2437 13.3086 13.3086 14.0142 14.0142 15.2271 15.2271 15.7647 15.7647 16.5733 16.5733 17.1523 17.1523 k = 0.2736 0.5000-0.0000 ( 2150 PWs) bands (ev): -41.9842 -41.9842 -18.7400 -18.7400 -18.1481 -18.1481 -17.9517 -17.9517 11.0034 11.0034 11.4423 11.4423 13.1470 13.1470 13.2287 13.2287 13.3431 13.3431 14.0845 14.0845 15.2237 15.2237 15.8229 15.8229 16.5763 16.5763 17.2076 17.2076 k = 0.2830 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9833 -41.9833 -18.7416 -18.7416 -18.1516 -18.1516 -17.9525 -17.9525 10.9858 10.9858 11.4329 11.4329 13.1182 13.1182 13.1964 13.1964 13.4001 13.4001 14.1585 14.1585 15.2208 15.2208 15.8799 15.8799 16.5758 16.5758 17.2615 17.2615 k = 0.2925 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9825 -41.9825 -18.7433 -18.7433 -18.1551 -18.1551 -17.9532 -17.9532 10.9676 10.9676 11.4228 11.4228 13.0898 13.0898 13.1624 13.1624 13.4634 13.4634 14.2357 14.2357 15.2184 15.2184 15.9355 15.9355 16.5715 16.5715 17.3139 17.3139 k = 0.3019 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9816 -41.9816 -18.7450 -18.7450 -18.1586 -18.1586 -17.9539 -17.9539 10.9491 10.9491 11.4121 11.4121 13.0620 13.0620 13.1290 13.1290 13.5304 13.5304 14.3159 14.3159 15.2164 15.2164 15.9895 15.9895 16.5635 16.5635 17.3648 17.3648 k = 0.3113 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9807 -41.9807 -18.7467 -18.7467 -18.1621 -18.1621 -17.9544 -17.9544 10.9304 10.9304 11.4011 11.4011 13.0349 13.0349 13.0967 13.0967 13.6003 13.6003 14.3986 14.3986 15.2148 15.2148 16.0419 16.0419 16.5515 16.5515 17.4141 17.4141 k = 0.3208 0.5000-0.0000 ( 2142 PWs) bands (ev): -41.9799 -41.9799 -18.7485 -18.7485 -18.1654 -18.1654 -17.9548 -17.9548 10.9117 10.9117 11.3898 11.3898 13.0086 13.0086 13.0657 13.0657 13.6729 13.6729 14.4834 14.4834 15.2136 15.2136 16.0924 16.0924 16.5356 16.5356 17.4616 17.4616 k = 0.3302 0.5000-0.0000 ( 2148 PWs) bands (ev): -41.9791 -41.9791 -18.7502 -18.7502 -18.1687 -18.1687 -17.9552 -17.9552 10.8930 10.8930 11.3783 11.3783 12.9831 12.9831 13.0361 13.0361 13.7477 13.7477 14.5700 14.5700 15.2128 15.2128 16.1408 16.1408 16.5158 16.5158 17.5072 17.5072 k = 0.3396 0.5000-0.0000 ( 2144 PWs) bands (ev): -41.9783 -41.9783 -18.7520 -18.7520 -18.1719 -18.1719 -17.9555 -17.9555 10.8746 10.8746 11.3669 11.3669 12.9586 12.9586 13.0080 13.0080 13.8244 13.8244 14.6579 14.6579 15.2124 15.2124 16.1870 16.1870 16.4920 16.4920 17.5510 17.5510 k = 0.3491 0.5000-0.0000 ( 2140 PWs) bands (ev): -41.9776 -41.9776 -18.7537 -18.7537 -18.1749 -18.1749 -17.9557 -17.9557 10.8566 10.8566 11.3555 11.3555 12.9351 12.9351 12.9814 12.9814 13.9027 13.9027 14.7468 14.7468 15.2123 15.2123 16.2308 16.2308 16.4643 16.4643 17.5927 17.5927 k = 0.3585 0.5000-0.0000 ( 2140 PWs) bands (ev): -41.9769 -41.9769 -18.7554 -18.7554 -18.1778 -18.1778 -17.9559 -17.9559 10.8392 10.8392 11.3444 11.3444 12.9126 12.9126 12.9564 12.9564 13.9825 13.9825 14.8360 14.8360 15.2127 15.2127 16.2719 16.2719 16.4329 16.4329 17.6323 17.6323 k = 0.3679 0.5000-0.0000 ( 2140 PWs) bands (ev): -41.9762 -41.9762 -18.7570 -18.7570 -18.1806 -18.1806 -17.9561 -17.9561 10.8223 10.8223 11.3336 11.3336 12.8913 12.8913 12.9329 12.9329 14.0632 14.0632 14.9252 14.9252 15.2134 15.2134 16.3095 16.3095 16.3984 16.3984 17.6698 17.6698 k = 0.3774 0.5000-0.0000 ( 2140 PWs) bands (ev): -41.9755 -41.9755 -18.7586 -18.7586 -18.1832 -18.1832 -17.9562 -17.9562 10.8062 10.8062 11.3232 11.3232 12.8712 12.8712 12.9110 12.9110 14.1447 14.1447 15.0137 15.0137 15.2146 15.2146 16.3366 16.3366 16.3679 16.3679 17.7050 17.7050 k = 0.3868 0.5000-0.0000 ( 2146 PWs) bands (ev): -41.9749 -41.9749 -18.7602 -18.7602 -18.1857 -18.1857 -17.9562 -17.9562 10.7909 10.7909 11.3133 11.3133 12.8523 12.8523 12.8908 12.8908 14.2264 14.2264 15.1011 15.1011 15.2164 15.2164 16.3102 16.3102 16.3844 16.3844 17.7379 17.7379 k = 0.3962 0.5000-0.0000 ( 2152 PWs) bands (ev): -41.9744 -41.9744 -18.7616 -18.7616 -18.1879 -18.1879 -17.9562 -17.9562 10.7765 10.7765 11.3040 11.3040 12.8347 12.8347 12.8721 12.8721 14.3079 14.3079 15.1858 15.1858 15.2197 15.2197 16.2657 16.2657 16.4126 16.4126 17.7685 17.7685 k = 0.4057 0.5000-0.0000 ( 2148 PWs) bands (ev): -41.9738 -41.9738 -18.7630 -18.7630 -18.1900 -18.1900 -17.9563 -17.9563 10.7631 10.7631 11.2952 11.2952 12.8185 12.8185 12.8550 12.8550 14.3888 14.3888 15.2203 15.2203 15.2714 15.2714 16.2170 16.2170 16.4387 16.4387 17.7966 17.7966 k = 0.4151 0.5000-0.0000 ( 2148 PWs) bands (ev): -41.9734 -41.9734 -18.7643 -18.7643 -18.1920 -18.1920 -17.9563 -17.9563 10.7508 10.7508 11.2872 11.2872 12.8037 12.8037 12.8396 12.8396 14.4683 14.4683 15.2247 15.2247 15.3510 15.3510 16.1654 16.1654 16.4616 16.4616 17.8221 17.8221 k = 0.4245 0.5000-0.0000 ( 2152 PWs) bands (ev): -41.9729 -41.9729 -18.7655 -18.7655 -18.1937 -18.1937 -17.9562 -17.9562 10.7396 10.7396 11.2799 11.2799 12.7903 12.7903 12.8257 12.8257 14.5455 14.5455 15.2299 15.2299 15.4269 15.4269 16.1116 16.1116 16.4813 16.4813 17.8451 17.8451 k = 0.4340 0.5000-0.0000 ( 2152 PWs) bands (ev): -41.9725 -41.9725 -18.7666 -18.7666 -18.1952 -18.1952 -17.9562 -17.9562 10.7296 10.7296 11.2733 11.2733 12.7785 12.7785 12.8135 12.8135 14.6195 14.6195 15.2365 15.2365 15.4981 15.4981 16.0562 16.0562 16.4976 16.4976 17.8655 17.8655 k = 0.4434 0.5000-0.0000 ( 2156 PWs) bands (ev): -41.9722 -41.9722 -18.7675 -18.7675 -18.1965 -18.1965 -17.9562 -17.9562 10.7209 10.7209 11.2675 11.2675 12.7681 12.7681 12.8029 12.8029 14.6889 14.6889 15.2450 15.2450 15.5633 15.5633 16.0003 16.0003 16.5106 16.5106 17.8832 17.8832 k = 0.4528 0.5000-0.0000 ( 2156 PWs) bands (ev): -41.9719 -41.9719 -18.7683 -18.7683 -18.1977 -18.1977 -17.9562 -17.9562 10.7134 10.7134 11.2626 11.2626 12.7593 12.7593 12.7939 12.7939 14.7521 14.7521 15.2559 15.2559 15.6215 15.6215 15.9448 15.9448 16.5205 16.5205 17.8982 17.8982 k = 0.4623 0.5000-0.0000 ( 2168 PWs) bands (ev): -41.9717 -41.9717 -18.7690 -18.7690 -18.1986 -18.1986 -17.9561 -17.9561 10.7072 10.7072 11.2585 11.2585 12.7521 12.7521 12.7866 12.7866 14.8070 14.8070 15.2693 15.2693 15.6714 15.6714 15.8917 15.8917 16.5277 16.5277 17.9102 17.9102 k = 0.4717 0.5000-0.0000 ( 2160 PWs) bands (ev): -41.9715 -41.9715 -18.7695 -18.7695 -18.1993 -18.1993 -17.9561 -17.9561 10.7024 10.7024 11.2553 11.2553 12.7465 12.7465 12.7809 12.7809 14.8518 14.8518 15.2847 15.2847 15.7119 15.7119 15.8434 15.8434 16.5326 16.5326 17.9193 17.9193 k = 0.4811 0.5000-0.0000 ( 2160 PWs) bands (ev): -41.9713 -41.9713 -18.7699 -18.7699 -18.1998 -18.1998 -17.9561 -17.9561 10.6989 10.6989 11.2531 11.2531 12.7424 12.7424 12.7768 12.7768 14.8847 14.8847 15.3004 15.3004 15.7417 15.7417 15.8035 15.8035 16.5355 16.5355 17.9252 17.9252 k = 0.4906 0.5000-0.0000 ( 2160 PWs) bands (ev): -41.9713 -41.9713 -18.7701 -18.7701 -18.2002 -18.2002 -17.9561 -17.9561 10.6968 10.6968 11.2517 11.2517 12.7400 12.7400 12.7743 12.7743 14.9047 14.9047 15.3126 15.3126 15.7593 15.7593 15.7772 15.7772 16.5371 16.5371 17.9283 17.9283 k = 0.5000 0.5000-0.0000 ( 2160 PWs) bands (ev): -41.9712 -41.9712 -18.7702 -18.7702 -18.2003 -18.2003 -17.9561 -17.9561 10.6961 10.6961 11.2512 11.2512 12.7392 12.7392 12.7735 12.7735 14.9114 14.9114 15.3173 15.3173 15.7622 15.7622 15.7708 15.7708 16.5376 16.5376 17.9292 17.9292 k = 0.5000 0.5000-0.0000 ( 2160 PWs) bands (ev): -41.9712 -41.9712 -18.7702 -18.7702 -18.2003 -18.2003 -17.9561 -17.9561 10.6961 10.6961 11.2512 11.2512 12.7392 12.7392 12.7735 12.7735 14.9114 14.9114 15.3173 15.3173 15.7622 15.7622 15.7708 15.7708 16.5376 16.5376 17.9292 17.9293 k = 0.4933 0.4933-0.0000 ( 2160 PWs) bands (ev): -41.9713 -41.9713 -18.7701 -18.7701 -18.2002 -18.2002 -17.9561 -17.9561 10.6968 10.6968 11.2517 11.2517 12.7400 12.7400 12.7743 12.7743 14.9048 14.9048 15.3124 15.3124 15.7635 15.7635 15.7731 15.7731 16.5371 16.5371 17.9282 17.9282 k = 0.4867 0.4867-0.0000 ( 2160 PWs) bands (ev): -41.9713 -41.9713 -18.7699 -18.7699 -18.1998 -18.1998 -17.9561 -17.9561 10.6989 10.6989 11.2531 11.2531 12.7424 12.7424 12.7768 12.7768 14.8853 14.8853 15.2978 15.2978 15.7632 15.7632 15.7838 15.7838 16.5356 16.5356 17.9244 17.9244 k = 0.4800 0.4800-0.0000 ( 2162 PWs) bands (ev): -41.9715 -41.9715 -18.7695 -18.7695 -18.1993 -18.1993 -17.9561 -17.9561 10.7023 10.7023 11.2554 11.2554 12.7462 12.7462 12.7811 12.7811 14.8543 14.8543 15.2737 15.2737 15.7604 15.7604 15.8028 15.8028 16.5331 16.5331 17.9167 17.9167 k = 0.4733 0.4733-0.0000 ( 2166 PWs) bands (ev): -41.9717 -41.9717 -18.7690 -18.7690 -18.1986 -18.1986 -17.9561 -17.9561 10.7069 10.7069 11.2586 11.2586 12.7512 12.7512 12.7874 12.7874 14.8133 14.8133 15.2404 15.2404 15.7563 15.7563 15.8274 15.8274 16.5292 16.5292 17.9050 17.9050 k = 0.4667 0.4667-0.0000 ( 2154 PWs) bands (ev): -41.9719 -41.9719 -18.7683 -18.7683 -18.1977 -18.1977 -17.9562 -17.9562 10.7126 10.7126 11.2629 11.2629 12.7573 12.7573 12.7959 12.7959 14.7642 14.7642 15.1984 15.1984 15.7513 15.7513 15.8558 15.8558 16.5238 16.5238 17.8898 17.8898 k = 0.4600 0.4600-0.0000 ( 2154 PWs) bands (ev): -41.9722 -41.9722 -18.7675 -18.7675 -18.1965 -18.1965 -17.9562 -17.9562 10.7192 10.7192 11.2682 11.2682 12.7642 12.7642 12.8068 12.8068 14.7085 14.7085 15.1484 15.1484 15.7455 15.7455 15.8862 15.8862 16.5167 16.5167 17.8711 17.8711 k = 0.4533 0.4533-0.0000 ( 2154 PWs) bands (ev): -41.9725 -41.9725 -18.7665 -18.7665 -18.1952 -18.1952 -17.9562 -17.9562 10.7265 10.7265 11.2745 11.2745 12.7718 12.7718 12.8201 12.8201 14.6475 14.6475 15.0910 15.0910 15.7393 15.7393 15.9175 15.9175 16.5077 16.5077 17.8492 17.8492 k = 0.4467 0.4467-0.0000 ( 2158 PWs) bands (ev): -41.9729 -41.9729 -18.7653 -18.7653 -18.1937 -18.1937 -17.9563 -17.9563 10.7342 10.7342 11.2819 11.2819 12.7799 12.7799 12.8359 12.8359 14.5824 14.5824 15.0272 15.0272 15.7327 15.7327 15.9487 15.9487 16.4966 16.4966 17.8242 17.8242 k = 0.4400 0.4400-0.0000 ( 2150 PWs) bands (ev): -41.9734 -41.9734 -18.7640 -18.7640 -18.1919 -18.1919 -17.9564 -17.9564 10.7420 10.7420 11.2906 11.2906 12.7888 12.7888 12.8542 12.8542 14.5140 14.5140 14.9578 14.9578 15.7257 15.7257 15.9790 15.9790 16.4833 16.4833 17.7961 17.7961 k = 0.4333 0.4333-0.0000 ( 2150 PWs) bands (ev): -41.9739 -41.9739 -18.7626 -18.7626 -18.1900 -18.1900 -17.9564 -17.9564 10.7497 10.7497 11.3006 11.3006 12.7982 12.7982 12.8749 12.8749 14.4431 14.4431 14.8837 14.8837 15.7184 15.7184 16.0079 16.0079 16.4679 16.4679 17.7652 17.7652 k = 0.4267 0.4267-0.0000 ( 2148 PWs) bands (ev): -41.9744 -41.9744 -18.7610 -18.7610 -18.1878 -18.1878 -17.9565 -17.9565 10.7566 10.7566 11.3120 11.3120 12.8084 12.8084 12.8979 12.8979 14.3701 14.3701 14.8059 14.8059 15.7108 15.7108 16.0351 16.0351 16.4503 16.4503 17.7316 17.7316 k = 0.4200 0.4200-0.0000 ( 2148 PWs) bands (ev): -41.9750 -41.9750 -18.7593 -18.7593 -18.1855 -18.1855 -17.9565 -17.9565 10.7624 10.7624 11.3249 11.3249 12.8193 12.8193 12.9231 12.9231 14.2955 14.2955 14.7251 14.7251 15.7030 15.7030 16.0602 16.0602 16.4307 16.4307 17.6954 17.6954 k = 0.4133 0.4133-0.0000 ( 2148 PWs) bands (ev): -41.9757 -41.9757 -18.7575 -18.7575 -18.1830 -18.1830 -17.9566 -17.9566 10.7667 10.7667 11.3395 11.3395 12.8310 12.8310 12.9504 12.9504 14.2197 14.2197 14.6423 14.6423 15.6950 15.6950 16.0832 16.0832 16.4092 16.4092 17.6568 17.6568 k = 0.4067 0.4067-0.0000 ( 2148 PWs) bands (ev): -41.9764 -41.9764 -18.7555 -18.7555 -18.1803 -18.1803 -17.9566 -17.9566 10.7688 10.7688 11.3558 11.3558 12.8433 12.8433 12.9798 12.9798 14.1430 14.1430 14.5584 14.5584 15.6868 15.6868 16.1040 16.1040 16.3860 16.3860 17.6160 17.6160 k = 0.4000 0.4000-0.0000 ( 2144 PWs) bands (ev): -41.9771 -41.9771 -18.7534 -18.7534 -18.1774 -18.1774 -17.9567 -17.9567 10.7682 10.7682 11.3740 11.3740 12.8564 12.8564 13.0112 13.0112 14.0657 14.0657 14.4742 14.4742 15.6785 15.6785 16.1225 16.1225 16.3613 16.3613 17.5732 17.5732 k = 0.3933 0.3933-0.0000 ( 2148 PWs) bands (ev): -41.9779 -41.9779 -18.7511 -18.7511 -18.1743 -18.1743 -17.9567 -17.9567 10.7646 10.7646 11.3940 11.3940 12.8703 12.8703 13.0444 13.0444 13.9880 13.9880 14.3904 14.3904 15.6702 15.6702 16.1389 16.1389 16.3353 16.3353 17.5285 17.5285 k = 0.3867 0.3867-0.0000 ( 2148 PWs) bands (ev): -41.9787 -41.9787 -18.7488 -18.7488 -18.1711 -18.1711 -17.9567 -17.9567 10.7573 10.7573 11.4159 11.4159 12.8848 12.8848 13.0795 13.0795 13.9101 13.9101 14.3079 14.3079 15.6620 15.6620 16.1530 16.1530 16.3084 16.3084 17.4822 17.4822 k = 0.3800 0.3800-0.0000 ( 2146 PWs) bands (ev): -41.9796 -41.9796 -18.7463 -18.7463 -18.1676 -18.1676 -17.9568 -17.9568 10.7459 10.7459 11.4396 11.4396 12.9001 12.9001 13.1164 13.1164 13.8321 13.8321 14.2274 14.2274 15.6539 15.6539 16.1648 16.1648 16.2810 16.2810 17.4344 17.4345 k = 0.3733 0.3733-0.0000 ( 2154 PWs) bands (ev): -41.9805 -41.9805 -18.7436 -18.7436 -18.1640 -18.1640 -17.9568 -17.9568 10.7300 10.7300 11.4649 11.4649 12.9160 12.9160 13.1548 13.1548 13.7542 13.7542 14.1495 14.1495 15.6461 15.6461 16.1739 16.1739 16.2538 16.2538 17.3855 17.3855 k = 0.3667 0.3667-0.0000 ( 2150 PWs) bands (ev): -41.9814 -41.9814 -18.7409 -18.7409 -18.1602 -18.1602 -17.9568 -17.9568 10.7094 10.7094 11.4917 11.4917 12.9326 12.9326 13.1947 13.1947 13.6767 13.6767 14.0750 14.0750 15.6387 15.6387 16.1788 16.1788 16.2288 16.2288 17.3355 17.3355 k = 0.3600 0.3600-0.0000 ( 2142 PWs) bands (ev): -41.9824 -41.9824 -18.7381 -18.7381 -18.1563 -18.1563 -17.9568 -17.9568 10.6837 10.6837 11.5197 11.5197 12.9499 12.9499 13.2359 13.2359 13.5995 13.5995 14.0044 14.0044 15.6320 15.6320 16.1732 16.1732 16.2126 16.2126 17.2848 17.2848 k = 0.3533 0.3533-0.0000 ( 2142 PWs) bands (ev): -41.9834 -41.9834 -18.7351 -18.7351 -18.1522 -18.1522 -17.9567 -17.9567 10.6527 10.6527 11.5486 11.5486 12.9677 12.9677 13.2782 13.2782 13.5230 13.5230 13.9382 13.9382 15.6260 15.6260 16.1531 16.1531 16.2097 16.2097 17.2336 17.2336 k = 0.3467 0.3467-0.0000 ( 2142 PWs) bands (ev): -41.9845 -41.9845 -18.7321 -18.7321 -18.1480 -18.1480 -17.9567 -17.9567 10.6163 10.6163 11.5781 11.5781 12.9861 12.9861 13.3208 13.3208 13.4479 13.4479 13.8769 13.8769 15.6210 15.6210 16.1272 16.1272 16.2116 16.2116 17.1821 17.1821 k = 0.3400 0.3400-0.0000 ( 2136 PWs) bands (ev): -41.9856 -41.9856 -18.7290 -18.7290 -18.1436 -18.1436 -17.9566 -17.9566 10.5745 10.5745 11.6079 11.6079 13.0050 13.0050 13.3509 13.3509 13.3868 13.3868 13.8209 13.8209 15.6172 15.6172 16.1002 16.1002 16.2139 16.2139 17.1305 17.1305 k = 0.3333 0.3333-0.0000 ( 2135 PWs) bands (ev): -41.9867 -41.9867 -18.7258 -18.7258 -18.1391 -18.1391 -17.9565 -17.9565 10.5272 10.5272 11.6375 11.6375 13.0244 13.0244 13.2921 13.2921 13.4161 13.4161 13.7706 13.7706 15.6149 15.6149 16.0734 16.0734 16.2157 16.2157 17.0792 17.0792 k = 0.3267 0.3267-0.0000 ( 2135 PWs) bands (ev): -41.9878 -41.9878 -18.7225 -18.7225 -18.1344 -18.1344 -17.9563 -17.9563 10.4747 10.4747 11.6667 11.6667 13.0440 13.0440 13.2195 13.2195 13.4603 13.4603 13.7265 13.7265 15.6143 15.6143 16.0473 16.0473 16.2169 16.2169 17.0284 17.0284 k = 0.3200 0.3200-0.0000 ( 2135 PWs) bands (ev): -41.9890 -41.9890 -18.7191 -18.7191 -18.1296 -18.1296 -17.9562 -17.9562 10.4170 10.4170 11.6949 11.6949 13.0630 13.0630 13.1480 13.1480 13.5046 13.5046 13.6892 13.6892 15.6157 15.6157 16.0221 16.0221 16.2173 16.2173 16.9784 16.9784 k = 0.3133 0.3133-0.0000 ( 2135 PWs) bands (ev): -41.9902 -41.9902 -18.7156 -18.7156 -18.1247 -18.1247 -17.9560 -17.9560 10.3543 10.3543 11.7219 11.7219 13.0626 13.0626 13.0969 13.0969 13.5456 13.5456 13.6614 13.6614 15.6195 15.6195 15.9981 15.9981 16.2171 16.2171 16.9295 16.9295 k = 0.3067 0.3067-0.0000 ( 2135 PWs) bands (ev): -41.9914 -41.9914 -18.7121 -18.7121 -18.1197 -18.1197 -17.9558 -17.9558 10.2871 10.2871 11.7473 11.7473 12.9987 12.9987 13.1106 13.1106 13.5734 13.5734 13.6527 13.6527 15.6259 15.6259 15.9753 15.9753 16.2163 16.2163 16.8820 16.8820 k = 0.3000 0.3000-0.0000 ( 2143 PWs) bands (ev): -41.9927 -41.9927 -18.7085 -18.7085 -18.1146 -18.1146 -17.9556 -17.9556 10.2156 10.2156 11.7707 11.7707 12.9290 12.9290 13.1313 13.1313 13.5744 13.5744 13.6760 13.6760 15.6351 15.6351 15.9541 15.9541 16.2149 16.2149 16.8363 16.8363 k = 0.2933 0.2933-0.0000 ( 2145 PWs) bands (ev): -41.9940 -41.9940 -18.7049 -18.7049 -18.1094 -18.1094 -17.9553 -17.9553 10.1402 10.1402 11.7919 11.7919 12.8597 12.8597 13.1531 13.1531 13.5635 13.5635 13.7158 13.7158 15.6475 15.6475 15.9344 15.9344 16.2130 16.2130 16.7926 16.7926 k = 0.2867 0.2867-0.0000 ( 2149 PWs) bands (ev): -41.9952 -41.9952 -18.7012 -18.7012 -18.1041 -18.1041 -17.9550 -17.9550 10.0613 10.0613 11.8104 11.8104 12.7912 12.7912 13.1752 13.1752 13.5528 13.5528 13.7596 13.7596 15.6632 15.6632 15.9164 15.9164 16.2107 16.2107 16.7513 16.7513 k = 0.2800 0.2800-0.0000 ( 2141 PWs) bands (ev): -41.9965 -41.9965 -18.6975 -18.6975 -18.0987 -18.0987 -17.9546 -17.9546 9.9794 9.9794 11.8262 11.8262 12.7238 12.7238 13.1977 13.1977 13.5451 13.5451 13.8040 13.8040 15.6825 15.6825 15.9003 15.9003 16.2080 16.2080 16.7129 16.7129 k = 0.2733 0.2733-0.0000 ( 2137 PWs) bands (ev): -41.9979 -41.9979 -18.6937 -18.6937 -18.0933 -18.0933 -17.9543 -17.9543 9.8949 9.8949 11.8390 11.8390 12.6574 12.6574 13.2205 13.2205 13.5408 13.5408 13.8478 13.8478 15.7052 15.7052 15.8862 15.8862 16.2051 16.2051 16.6775 16.6775 k = 0.2667 0.2667-0.0000 ( 2137 PWs) bands (ev): -41.9992 -41.9992 -18.6899 -18.6899 -18.0877 -18.0877 -17.9539 -17.9539 9.8082 9.8082 11.8486 11.8486 12.5922 12.5922 13.2434 13.2434 13.5398 13.5398 13.8903 13.8903 15.7311 15.7311 15.8748 15.8748 16.2019 16.2019 16.6458 16.6458 k = 0.2600 0.2600-0.0000 ( 2137 PWs) bands (ev): -42.0005 -42.0005 -18.6861 -18.6861 -18.0822 -18.0822 -17.9534 -17.9534 9.7197 9.7197 11.8550 11.8550 12.5283 12.5283 13.2665 13.2665 13.5419 13.5419 13.9311 13.9311 15.7590 15.7590 15.8672 15.8672 16.1985 16.1985 16.6180 16.6180 k = 0.2533 0.2533-0.0000 ( 2137 PWs) bands (ev): -42.0019 -42.0019 -18.6823 -18.6823 -18.0765 -18.0765 -17.9530 -17.9530 9.6299 9.6299 11.8582 11.8582 12.4655 12.4655 13.2896 13.2896 13.5468 13.5468 13.9696 13.9696 15.7857 15.7857 15.8670 15.8670 16.1949 16.1949 16.5945 16.5945 k = 0.2467 0.2467-0.0000 ( 2135 PWs) bands (ev): -42.0032 -42.0032 -18.6785 -18.6785 -18.0709 -18.0709 -17.9524 -17.9524 9.5391 9.5391 11.8581 11.8581 12.4040 12.4040 13.3128 13.3128 13.5541 13.5541 14.0056 14.0056 15.8034 15.8034 15.8817 15.8817 16.1912 16.1912 16.5758 16.5758 k = 0.2400 0.2400-0.0000 ( 2143 PWs) bands (ev): -42.0045 -42.0045 -18.6747 -18.6747 -18.0652 -18.0652 -17.9519 -17.9519 9.4477 9.4477 11.8549 11.8549 12.3439 12.3439 13.3359 13.3359 13.5636 13.5636 14.0386 14.0386 15.8091 15.8091 15.9144 15.9144 16.1875 16.1875 16.5621 16.5621 k = 0.2333 0.2333-0.0000 ( 2143 PWs) bands (ev): -42.0059 -42.0059 -18.6709 -18.6709 -18.0595 -18.0595 -17.9513 -17.9513 9.3560 9.3560 11.8487 11.8487 12.2850 12.2850 13.3591 13.3591 13.5747 13.5747 14.0684 14.0684 15.8092 15.8092 15.9586 15.9586 16.1837 16.1837 16.5538 16.5538 k = 0.2267 0.2267-0.0000 ( 2139 PWs) bands (ev): -42.0072 -42.0072 -18.6671 -18.6671 -18.0538 -18.0538 -17.9507 -17.9507 9.2644 9.2644 11.8395 11.8395 12.2276 12.2276 13.3821 13.3821 13.5873 13.5873 14.0946 14.0946 15.8081 15.8081 16.0096 16.0096 16.1799 16.1799 16.5511 16.5511 k = 0.2200 0.2200-0.0000 ( 2139 PWs) bands (ev): -42.0086 -42.0086 -18.6633 -18.6633 -18.0481 -18.0481 -17.9501 -17.9501 9.1730 9.1730 11.8277 11.8277 12.1715 12.1715 13.4050 13.4050 13.6009 13.6009 14.1171 14.1171 15.8075 15.8075 16.0657 16.0657 16.1762 16.1762 16.5542 16.5542 k = 0.2133 0.2133-0.0000 ( 2143 PWs) bands (ev): -42.0099 -42.0099 -18.6596 -18.6596 -18.0424 -18.0424 -17.9494 -17.9494 9.0824 9.0824 11.8133 11.8133 12.1168 12.1168 13.4277 13.4277 13.6154 13.6154 14.1357 14.1357 15.8079 15.8079 16.1260 16.1260 16.1725 16.1725 16.5634 16.5634 k = 0.2067 0.2067-0.0000 ( 2145 PWs) bands (ev): -42.0112 -42.0112 -18.6559 -18.6559 -18.0368 -18.0368 -17.9487 -17.9487 8.9925 8.9925 11.7967 11.7967 12.0636 12.0636 13.4502 13.4502 13.6303 13.6303 14.1503 14.1503 15.8096 15.8096 16.1683 16.1683 16.1906 16.1906 16.5785 16.5785 k = 0.2000 0.2000-0.0000 ( 2157 PWs) bands (ev): -42.0125 -42.0125 -18.6522 -18.6522 -18.0312 -18.0312 -17.9480 -17.9480 8.9038 8.9038 11.7780 11.7780 12.0119 12.0119 13.4724 13.4724 13.6456 13.6456 14.1610 14.1610 15.8125 15.8125 16.1649 16.1649 16.2577 16.2577 16.5995 16.5995 k = 0.1933 0.1933-0.0000 ( 2147 PWs) bands (ev): -42.0138 -42.0138 -18.6486 -18.6486 -18.0256 -18.0256 -17.9472 -17.9472 8.8164 8.8164 11.7575 11.7575 11.9616 11.9616 13.4944 13.4944 13.6609 13.6609 14.1678 14.1678 15.8169 15.8169 16.1614 16.1614 16.3280 16.3280 16.6263 16.6263 k = 0.1867 0.1867-0.0000 ( 2147 PWs) bands (ev): -42.0151 -42.0151 -18.6451 -18.6451 -18.0201 -18.0201 -17.9464 -17.9464 8.7305 8.7305 11.7355 11.7355 11.9128 11.9128 13.5159 13.5159 13.6762 13.6762 14.1710 14.1710 15.8225 15.8225 16.1579 16.1579 16.4007 16.4007 16.6587 16.6587 k = 0.1800 0.1800-0.0000 ( 2147 PWs) bands (ev): -42.0163 -42.0163 -18.6416 -18.6416 -18.0146 -18.0146 -17.9456 -17.9456 8.6463 8.6463 11.7121 11.7121 11.8656 11.8656 13.5371 13.5371 13.6911 13.6911 14.1708 14.1708 15.8295 15.8295 16.1546 16.1546 16.4755 16.4755 16.6964 16.6964 k = 0.1733 0.1733-0.0000 ( 2147 PWs) bands (ev): -42.0175 -42.0175 -18.6382 -18.6382 -18.0093 -18.0093 -17.9448 -17.9448 8.5640 8.5640 11.6877 11.6877 11.8200 11.8200 13.5579 13.5579 13.7057 13.7057 14.1674 14.1674 15.8377 15.8377 16.1513 16.1513 16.5519 16.5519 16.7390 16.7390 k = 0.1667 0.1667-0.0000 ( 2155 PWs) bands (ev): -42.0187 -42.0187 -18.6348 -18.6348 -18.0040 -18.0040 -17.9440 -17.9440 8.4837 8.4837 11.6625 11.6625 11.7759 11.7759 13.5782 13.5782 13.7198 13.7198 14.1612 14.1612 15.8470 15.8470 16.1482 16.1482 16.6296 16.6296 16.7860 16.7860 k = 0.1600 0.1600-0.0000 ( 2145 PWs) bands (ev): -42.0199 -42.0199 -18.6316 -18.6316 -17.9988 -17.9988 -17.9432 -17.9432 8.4056 8.4056 11.6366 11.6366 11.7334 11.7334 13.5980 13.5980 13.7333 13.7333 14.1526 14.1526 15.8575 15.8575 16.1453 16.1453 16.7082 16.7082 16.8372 16.8372 k = 0.1533 0.1533-0.0000 ( 2145 PWs) bands (ev): -42.0211 -42.0211 -18.6284 -18.6284 -17.9938 -17.9938 -17.9423 -17.9423 8.3298 8.3298 11.6103 11.6103 11.6925 11.6925 13.6172 13.6172 13.7461 13.7461 14.1418 14.1418 15.8689 15.8689 16.1424 16.1424 16.7870 16.7870 16.8921 16.8921 k = 0.1467 0.1467-0.0000 ( 2145 PWs) bands (ev): -42.0222 -42.0222 -18.6254 -18.6254 -17.9888 -17.9888 -17.9415 -17.9415 8.2565 8.2565 11.5839 11.5839 11.6532 11.6532 13.6358 13.6358 13.7582 13.7582 14.1292 14.1292 15.8812 15.8812 16.1398 16.1398 16.8657 16.8657 16.9502 16.9502 k = 0.1400 0.1400-0.0000 ( 2149 PWs) bands (ev): -42.0233 -42.0233 -18.6224 -18.6224 -17.9840 -17.9840 -17.9406 -17.9406 8.1857 8.1857 11.5574 11.5574 11.6156 11.6156 13.6538 13.6538 13.7695 13.7695 14.1152 14.1152 15.8942 15.8942 16.1372 16.1372 16.9438 16.9438 17.0113 17.0113 k = 0.1333 0.1333-0.0000 ( 2147 PWs) bands (ev): -42.0243 -42.0243 -18.6195 -18.6195 -17.9794 -17.9794 -17.9398 -17.9398 8.1175 8.1175 11.5311 11.5311 11.5796 11.5796 13.6712 13.6712 13.7801 13.7801 14.1001 14.1001 15.9078 15.9078 16.1348 16.1348 17.0206 17.0206 17.0749 17.0749 k = 0.1267 0.1267-0.0000 ( 2147 PWs) bands (ev): -42.0253 -42.0253 -18.6168 -18.6168 -17.9748 -17.9748 -17.9390 -17.9390 8.0521 8.0521 11.5051 11.5051 11.5452 11.5452 13.6878 13.6878 13.7900 13.7900 14.0842 14.0842 15.9220 15.9220 16.1326 16.1326 17.0955 17.0955 17.1409 17.1409 k = 0.1200 0.1200-0.0000 ( 2143 PWs) bands (ev): -42.0263 -42.0263 -18.6142 -18.6142 -17.9705 -17.9705 -17.9381 -17.9381 7.9896 7.9896 11.4796 11.4796 11.5126 11.5126 13.7036 13.7036 13.7990 13.7990 14.0678 14.0678 15.9365 15.9365 16.1305 16.1305 17.1681 17.1681 17.2087 17.2087 k = 0.1133 0.1133-0.0000 ( 2139 PWs) bands (ev): -42.0272 -42.0272 -18.6116 -18.6116 -17.9663 -17.9663 -17.9373 -17.9373 7.9300 7.9300 11.4547 11.4547 11.4817 11.4817 13.7187 13.7187 13.8073 13.8073 14.0512 14.0512 15.9512 15.9512 16.1285 16.1285 17.2384 17.2384 17.2775 17.2775 k = 0.1067 0.1067-0.0000 ( 2131 PWs) bands (ev): -42.0281 -42.0281 -18.6092 -18.6092 -17.9624 -17.9624 -17.9366 -17.9366 7.8734 7.8734 11.4307 11.4307 11.4524 11.4524 13.7329 13.7329 13.8149 13.8149 14.0346 14.0346 15.9660 15.9660 16.1267 16.1267 17.3065 17.3065 17.3463 17.3463 k = 0.1000 0.1000-0.0000 ( 2135 PWs) bands (ev): -42.0290 -42.0290 -18.6070 -18.6070 -17.9586 -17.9586 -17.9358 -17.9358 7.8199 7.8199 11.4075 11.4075 11.4249 11.4249 13.7462 13.7462 13.8216 13.8216 14.0183 14.0183 15.9807 15.9807 16.1250 16.1250 17.3728 17.3728 17.4140 17.4140 k = 0.0933 0.0933-0.0000 ( 2137 PWs) bands (ev): -42.0298 -42.0298 -18.6048 -18.6048 -17.9550 -17.9550 -17.9351 -17.9351 7.7696 7.7696 11.3853 11.3853 11.3991 11.3991 13.7587 13.7587 13.8277 13.8277 14.0026 14.0026 15.9952 15.9952 16.1234 16.1234 17.4372 17.4372 17.4797 17.4797 k = 0.0867 0.0867-0.0000 ( 2133 PWs) bands (ev): -42.0305 -42.0305 -18.6028 -18.6028 -17.9516 -17.9516 -17.9344 -17.9344 7.7224 7.7224 11.3642 11.3642 11.3750 11.3750 13.7702 13.7702 13.8330 13.8330 13.9875 13.9875 16.0094 16.0094 16.1220 16.1220 17.4995 17.4995 17.5429 17.5429 k = 0.0800 0.0800-0.0000 ( 2133 PWs) bands (ev): -42.0312 -42.0312 -18.6010 -18.6010 -17.9484 -17.9484 -17.9337 -17.9337 7.6786 7.6786 11.3444 11.3444 11.3527 11.3527 13.7807 13.7807 13.8375 13.8375 13.9735 13.9735 16.0231 16.0231 16.1207 16.1207 17.5594 17.5594 17.6029 17.6029 k = 0.0733 0.0733-0.0000 ( 2133 PWs) bands (ev): -42.0319 -42.0319 -18.5992 -18.5992 -17.9455 -17.9455 -17.9331 -17.9331 7.6381 7.6381 11.3258 11.3258 11.3321 11.3321 13.7902 13.7902 13.8412 13.8412 13.9607 13.9607 16.0363 16.0363 16.1195 16.1195 17.6166 17.6166 17.6594 17.6594 k = 0.0667 0.0667-0.0000 ( 2133 PWs) bands (ev): -42.0324 -42.0324 -18.5977 -18.5977 -17.9428 -17.9428 -17.9325 -17.9325 7.6009 7.6009 11.3086 11.3086 11.3133 11.3133 13.7988 13.7988 13.8439 13.8439 13.9493 13.9493 16.0487 16.0487 16.1185 16.1185 17.6706 17.6706 17.7120 17.7120 k = 0.0600 0.0600-0.0000 ( 2123 PWs) bands (ev): -42.0330 -42.0330 -18.5962 -18.5962 -17.9403 -17.9403 -17.9319 -17.9319 7.5672 7.5672 11.2928 11.2928 11.2963 11.2963 13.8063 13.8063 13.8456 13.8456 13.9396 13.9396 16.0603 16.0603 16.1175 16.1175 17.7210 17.7210 17.7605 17.7605 k = 0.0533 0.0533-0.0000 ( 2115 PWs) bands (ev): -42.0335 -42.0335 -18.5949 -18.5949 -17.9381 -17.9381 -17.9315 -17.9315 7.5369 7.5369 11.2785 11.2785 11.2811 11.2811 13.8128 13.8128 13.8463 13.8463 13.9317 13.9317 16.0710 16.0710 16.1167 16.1167 17.7674 17.7674 17.8045 17.8045 k = 0.0467 0.0467-0.0000 ( 2113 PWs) bands (ev): -42.0339 -42.0339 -18.5938 -18.5938 -17.9361 -17.9361 -17.9310 -17.9310 7.5101 7.5101 11.2658 11.2658 11.2676 11.2676 13.8184 13.8184 13.8459 13.8459 13.9257 13.9257 16.0806 16.0806 16.1160 16.1160 17.8092 17.8092 17.8435 17.8435 k = 0.0400 0.0400-0.0000 ( 2107 PWs) bands (ev): -42.0343 -42.0343 -18.5928 -18.5928 -17.9344 -17.9344 -17.9306 -17.9306 7.4868 7.4868 11.2547 11.2547 11.2559 11.2559 13.8231 13.8231 13.8446 13.8446 13.9214 13.9214 16.0891 16.0891 16.1153 16.1153 17.8462 17.8462 17.8773 17.8773 k = 0.0333 0.0333-0.0000 ( 2107 PWs) bands (ev): -42.0346 -42.0346 -18.5919 -18.5919 -17.9329 -17.9329 -17.9303 -17.9303 7.4670 7.4670 11.2452 11.2452 11.2460 11.2460 13.8269 13.8269 13.8426 13.8426 13.9186 13.9186 16.0965 16.0965 16.1148 16.1148 17.8780 17.8781 17.9050 17.9050 k = 0.0267 0.0267-0.0000 ( 2107 PWs) bands (ev): -42.0349 -42.0349 -18.5912 -18.5912 -17.9317 -17.9317 -17.9300 -17.9300 7.4508 7.4508 11.2375 11.2375 11.2379 11.2379 13.8300 13.8300 13.8404 13.8404 13.9169 13.9169 16.1026 16.1026 16.1144 16.1144 17.9043 17.9043 17.9258 17.9258 k = 0.0200 0.0200-0.0000 ( 2107 PWs) bands (ev): -42.0351 -42.0351 -18.5907 -18.5907 -17.9307 -17.9307 -17.9298 -17.9298 7.4382 7.4382 11.2314 11.2314 11.2316 11.2316 13.8323 13.8323 13.8383 13.8383 13.9161 13.9161 16.1074 16.1074 16.1141 16.1141 17.9250 17.9250 17.9395 17.9395 k = 0.0133 0.0133-0.0000 ( 2107 PWs) bands (ev): -42.0352 -42.0352 -18.5903 -18.5903 -17.9301 -17.9301 -17.9297 -17.9297 7.4292 7.4292 11.2270 11.2270 11.2271 11.2271 13.8339 13.8339 13.8366 13.8366 13.9156 13.9156 16.1109 16.1109 16.1138 16.1138 17.9398 17.9398 17.9471 17.9471 k = 0.0067 0.0067-0.0000 ( 2107 PWs) bands (ev): -42.0353 -42.0353 -18.5901 -18.5901 -17.9297 -17.9297 -17.9296 -17.9296 7.4238 7.4238 11.2244 11.2244 11.2244 11.2244 13.8348 13.8348 13.8355 13.8355 13.9155 13.9155 16.1130 16.1130 16.1137 16.1137 17.9487 17.9487 17.9507 17.9507 k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -42.0353 -42.0353 -18.5900 -18.5900 -17.9295 -17.9295 -17.9295 -17.9295 7.4220 7.4220 11.2235 11.2235 11.2235 11.2235 13.8351 13.8351 13.8351 13.8351 13.9154 13.9154 16.1136 16.1136 16.1136 16.1136 17.9517 17.9517 17.9517 17.9517 k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -42.0353 -42.0353 -18.5900 -18.5900 -17.9295 -17.9295 -17.9295 -17.9295 7.4220 7.4220 11.2235 11.2235 11.2235 11.2235 13.8351 13.8351 13.8351 13.8351 13.9154 13.9154 16.1136 16.1136 16.1136 16.1136 17.9517 17.9517 17.9517 17.9517 k = 0.0054 0.0054 0.0054 ( 2109 PWs) bands (ev): -42.0353 -42.0353 -18.5901 -18.5901 -17.9296 -17.9296 -17.9296 -17.9296 7.4238 7.4238 11.2244 11.2244 11.2244 11.2244 13.8348 13.8348 13.8356 13.8356 13.9155 13.9155 16.1133 16.1133 16.1133 16.1133 17.9486 17.9486 17.9508 17.9508 k = 0.0109 0.0109 0.0109 ( 2106 PWs) bands (ev): -42.0352 -42.0352 -18.5903 -18.5903 -17.9299 -17.9299 -17.9298 -17.9298 7.4292 7.4292 11.2270 11.2270 11.2270 11.2270 13.8337 13.8337 13.8368 13.8368 13.9156 13.9156 16.1123 16.1123 16.1124 16.1124 17.9390 17.9390 17.9479 17.9479 k = 0.0163 0.0163 0.0163 ( 2106 PWs) bands (ev): -42.0351 -42.0351 -18.5907 -18.5907 -17.9304 -17.9304 -17.9302 -17.9302 7.4382 7.4382 11.2315 11.2315 11.2315 11.2315 13.8320 13.8320 13.8386 13.8386 13.9161 13.9161 16.1106 16.1106 16.1109 16.1109 17.9220 17.9220 17.9431 17.9431 k = 0.0217 0.0217 0.0217 ( 2106 PWs) bands (ev): -42.0349 -42.0349 -18.5912 -18.5912 -17.9310 -17.9310 -17.9307 -17.9307 7.4507 7.4507 11.2376 11.2376 11.2377 11.2377 13.8295 13.8295 13.8406 13.8406 13.9172 13.9172 16.1082 16.1082 16.1089 16.1089 17.8970 17.8970 17.9365 17.9365 k = 0.0272 0.0272 0.0272 ( 2106 PWs) bands (ev): -42.0346 -42.0346 -18.5919 -18.5919 -17.9318 -17.9318 -17.9314 -17.9314 7.4669 7.4669 11.2456 11.2456 11.2456 11.2456 13.8263 13.8263 13.8426 13.8426 13.9192 13.9192 16.1053 16.1053 16.1062 16.1062 17.8640 17.8640 17.9280 17.9280 k = 0.0326 0.0326 0.0326 ( 2106 PWs) bands (ev): -42.0343 -42.0343 -18.5928 -18.5928 -17.9328 -17.9328 -17.9322 -17.9322 7.4866 7.4866 11.2552 11.2552 11.2553 11.2553 13.8223 13.8223 13.8438 13.8438 13.9227 13.9227 16.1017 16.1017 16.1031 16.1031 17.8234 17.8234 17.9176 17.9176 k = 0.0380 0.0380 0.0380 ( 2112 PWs) bands (ev): -42.0339 -42.0339 -18.5937 -18.5937 -17.9340 -17.9340 -17.9331 -17.9331 7.5098 7.5098 11.2666 11.2666 11.2667 11.2667 13.8176 13.8176 13.8437 13.8437 13.9281 13.9281 16.0977 16.0977 16.0995 16.0995 17.7758 17.7758 17.9054 17.9054 k = 0.0435 0.0435 0.0435 ( 2118 PWs) bands (ev): -42.0335 -42.0335 -18.5949 -18.5949 -17.9353 -17.9353 -17.9342 -17.9342 7.5365 7.5365 11.2797 11.2797 11.2798 11.2798 13.8122 13.8122 13.8421 13.8421 13.9357 13.9357 16.0931 16.0931 16.0955 16.0955 17.7218 17.7218 17.8914 17.8914 k = 0.0489 0.0489 0.0489 ( 2118 PWs) bands (ev): -42.0330 -42.0330 -18.5962 -18.5962 -17.9368 -17.9368 -17.9355 -17.9355 7.5667 7.5667 11.2944 11.2944 11.2945 11.2945 13.8059 13.8059 13.8389 13.8389 13.9454 13.9454 16.0881 16.0881 16.0912 16.0912 17.6619 17.6619 17.8757 17.8757 k = 0.0543 0.0543 0.0543 ( 2130 PWs) bands (ev): -42.0324 -42.0324 -18.5976 -18.5976 -17.9385 -17.9385 -17.9368 -17.9368 7.6003 7.6003 11.3108 11.3108 11.3110 11.3110 13.7989 13.7989 13.8339 13.8339 13.9571 13.9571 16.0828 16.0828 16.0866 16.0866 17.5969 17.5969 17.8582 17.8583 k = 0.0598 0.0598 0.0598 ( 2130 PWs) bands (ev): -42.0318 -42.0318 -18.5991 -18.5991 -17.9403 -17.9403 -17.9384 -17.9384 7.6374 7.6374 11.3289 11.3289 11.3290 11.3290 13.7911 13.7911 13.8275 13.8275 13.9705 13.9705 16.0772 16.0772 16.0817 16.0817 17.5273 17.5273 17.8390 17.8390 k = 0.0652 0.0652 0.0652 ( 2130 PWs) bands (ev): -42.0312 -42.0312 -18.6008 -18.6008 -17.9423 -17.9423 -17.9400 -17.9400 7.6778 7.6778 11.3485 11.3485 11.3487 11.3487 13.7824 13.7824 13.8197 13.8197 13.9853 13.9853 16.0714 16.0714 16.0768 16.0768 17.4538 17.4538 17.8183 17.8183 k = 0.0707 0.0707 0.0707 ( 2139 PWs) bands (ev): -42.0305 -42.0305 -18.6027 -18.6027 -17.9444 -17.9444 -17.9418 -17.9418 7.7215 7.7215 11.3697 11.3697 11.3699 11.3699 13.7730 13.7730 13.8105 13.8105 14.0012 14.0012 16.0655 16.0655 16.0717 16.0717 17.3770 17.3770 17.7959 17.7959 k = 0.0761 0.0761 0.0761 ( 2139 PWs) bands (ev): -42.0297 -42.0297 -18.6046 -18.6046 -17.9467 -17.9467 -17.9437 -17.9437 7.7685 7.7685 11.3924 11.3924 11.3926 11.3926 13.7626 13.7626 13.8002 13.8002 14.0178 14.0178 16.0596 16.0596 16.0667 16.0667 17.2978 17.2978 17.7721 17.7721 k = 0.0815 0.0815 0.0815 ( 2145 PWs) bands (ev): -42.0289 -42.0289 -18.6067 -18.6067 -17.9491 -17.9491 -17.9457 -17.9457 7.8187 7.8187 11.4167 11.4167 11.4168 11.4168 13.7514 13.7514 13.7887 13.7887 14.0349 14.0349 16.0537 16.0537 16.0618 16.0618 17.2167 17.2167 17.7467 17.7467 k = 0.0870 0.0870 0.0870 ( 2133 PWs) bands (ev): -42.0281 -42.0281 -18.6089 -18.6089 -17.9517 -17.9517 -17.9479 -17.9479 7.8721 7.8721 11.4423 11.4423 11.4425 11.4425 13.7394 13.7394 13.7762 13.7762 14.0520 14.0520 16.0479 16.0479 16.0571 16.0571 17.1346 17.1346 17.7200 17.7200 k = 0.0924 0.0924 0.0924 ( 2133 PWs) bands (ev): -42.0272 -42.0272 -18.6113 -18.6113 -17.9544 -17.9544 -17.9502 -17.9502 7.9286 7.9286 11.4694 11.4694 11.4696 11.4696 13.7264 13.7264 13.7626 13.7626 14.0689 14.0689 16.0424 16.0424 16.0526 16.0526 17.0522 17.0522 17.6919 17.6919 k = 0.0978 0.0978 0.0978 ( 2142 PWs) bands (ev): -42.0262 -42.0262 -18.6137 -18.6137 -17.9572 -17.9572 -17.9526 -17.9526 7.9882 7.9882 11.4978 11.4978 11.4980 11.4980 13.7126 13.7126 13.7479 13.7479 14.0849 14.0849 16.0372 16.0372 16.0484 16.0484 16.9704 16.9704 17.6626 17.6626 k = 0.1033 0.1033 0.1033 ( 2136 PWs) bands (ev): -42.0252 -42.0252 -18.6162 -18.6162 -17.9601 -17.9601 -17.9552 -17.9552 8.0507 8.0507 11.5275 11.5275 11.5277 11.5277 13.6978 13.6978 13.7322 13.7322 14.0998 14.0998 16.0323 16.0323 16.0446 16.0446 16.8900 16.8900 17.6321 17.6323 k = 0.1087 0.1087 0.1087 ( 2136 PWs) bands (ev): -42.0242 -42.0242 -18.6189 -18.6189 -17.9631 -17.9631 -17.9578 -17.9578 8.1162 8.1162 11.5585 11.5585 11.5586 11.5586 13.6822 13.6822 13.7156 13.7156 14.1130 14.1130 16.0279 16.0279 16.0414 16.0414 16.8119 16.8119 17.6004 17.6004 k = 0.1141 0.1141 0.1141 ( 2139 PWs) bands (ev): -42.0231 -42.0231 -18.6216 -18.6216 -17.9663 -17.9663 -17.9606 -17.9606 8.1845 8.1845 11.5907 11.5907 11.5907 11.5907 13.6656 13.6656 13.6979 13.6979 14.1238 14.1238 16.0241 16.0241 16.0386 16.0386 16.7371 16.7371 17.5677 17.5677 k = 0.1196 0.1196 0.1196 ( 2133 PWs) bands (ev): -42.0219 -42.0219 -18.6245 -18.6245 -17.9695 -17.9695 -17.9634 -17.9634 8.2555 8.2555 11.6240 11.6240 11.6240 11.6240 13.6482 13.6482 13.6793 13.6793 14.1317 14.1317 16.0209 16.0209 16.0364 16.0364 16.6664 16.6664 17.5341 17.5341 k = 0.1250 0.1250 0.1250 ( 2139 PWs) bands (ev): -42.0208 -42.0208 -18.6274 -18.6274 -17.9728 -17.9728 -17.9664 -17.9664 8.3293 8.3293 11.6583 11.6583 11.6583 11.6583 13.6300 13.6300 13.6598 13.6598 14.1360 14.1360 16.0183 16.0183 16.0349 16.0349 16.6008 16.6008 17.4995 17.4995 k = 0.1304 0.1304 0.1304 ( 2133 PWs) bands (ev): -42.0196 -42.0196 -18.6305 -18.6305 -17.9762 -17.9762 -17.9694 -17.9694 8.4057 8.4057 11.6935 11.6935 11.6937 11.6937 13.6108 13.6108 13.6394 13.6394 14.1361 14.1361 16.0164 16.0164 16.0341 16.0341 16.5414 16.5414 17.4642 17.4642 k = 0.1359 0.1359 0.1359 ( 2133 PWs) bands (ev): -42.0183 -42.0183 -18.6336 -18.6336 -17.9797 -17.9797 -17.9726 -17.9726 8.4846 8.4846 11.7297 11.7297 11.7300 11.7300 13.5909 13.5909 13.6181 13.6181 14.1312 14.1312 16.0153 16.0153 16.0340 16.0340 16.4891 16.4891 17.4282 17.4282 k = 0.1413 0.1413 0.1413 ( 2127 PWs) bands (ev): -42.0171 -42.0171 -18.6367 -18.6367 -17.9832 -17.9832 -17.9758 -17.9758 8.5659 8.5659 11.7668 11.7668 11.7671 11.7671 13.5701 13.5701 13.5960 13.5960 14.1209 14.1209 16.0150 16.0150 16.0346 16.0346 16.4446 16.4446 17.3917 17.3917 k = 0.1467 0.1467 0.1467 ( 2130 PWs) bands (ev): -42.0158 -42.0158 -18.6400 -18.6400 -17.9868 -17.9868 -17.9792 -17.9792 8.6496 8.6496 11.8046 11.8046 11.8051 11.8051 13.5486 13.5486 13.5731 13.5731 14.1047 14.1047 16.0155 16.0155 16.0359 16.0359 16.4087 16.4087 17.3546 17.3546 k = 0.1522 0.1522 0.1522 ( 2130 PWs) bands (ev): -42.0144 -42.0144 -18.6433 -18.6433 -17.9905 -17.9905 -17.9826 -17.9826 8.7356 8.7356 11.8431 11.8431 11.8438 11.8438 13.5264 13.5264 13.5495 13.5495 14.0822 14.0822 16.0169 16.0169 16.0380 16.0380 16.3821 16.3821 17.3172 17.3174 k = 0.1576 0.1576 0.1576 ( 2130 PWs) bands (ev): -42.0130 -42.0130 -18.6467 -18.6467 -17.9942 -17.9942 -17.9861 -17.9861 8.8237 8.8237 11.8822 11.8822 11.8831 11.8831 13.5035 13.5035 13.5251 13.5251 14.0533 14.0533 16.0190 16.0190 16.0408 16.0408 16.3649 16.3649 17.2796 17.2796 k = 0.1630 0.1630 0.1630 ( 2130 PWs) bands (ev): -42.0116 -42.0116 -18.6501 -18.6501 -17.9980 -17.9980 -17.9897 -17.9897 8.9139 8.9139 11.9219 11.9219 11.9229 11.9229 13.4799 13.4799 13.5002 13.5002 14.0180 14.0180 16.0219 16.0219 16.0443 16.0443 16.3574 16.3574 17.2419 17.2419 k = 0.1685 0.1685 0.1685 ( 2142 PWs) bands (ev): -42.0102 -42.0102 -18.6536 -18.6536 -18.0018 -18.0018 -17.9933 -17.9933 9.0060 9.0060 11.9620 11.9620 11.9632 11.9632 13.4558 13.4558 13.4747 13.4747 13.9767 13.9767 16.0256 16.0256 16.0485 16.0485 16.3595 16.3595 17.2032 17.2032 k = 0.1739 0.1739 0.1739 ( 2142 PWs) bands (ev): -42.0088 -42.0088 -18.6572 -18.6572 -18.0056 -18.0056 -17.9970 -17.9970 9.1000 9.1000 12.0024 12.0024 12.0039 12.0039 13.4311 13.4311 13.4486 13.4486 13.9297 13.9297 16.0299 16.0299 16.0532 16.0532 16.3710 16.3710 17.1643 17.1643 k = 0.1793 0.1793 0.1793 ( 2142 PWs) bands (ev): -42.0073 -42.0073 -18.6608 -18.6608 -18.0095 -18.0095 -18.0008 -18.0008 9.1957 9.1957 12.0431 12.0431 12.0449 12.0449 13.4060 13.4060 13.4221 13.4221 13.8776 13.8776 16.0348 16.0348 16.0584 16.0584 16.3914 16.3914 17.1260 17.1260 k = 0.1848 0.1848 0.1848 ( 2142 PWs) bands (ev): -42.0058 -42.0058 -18.6644 -18.6644 -18.0134 -18.0134 -18.0046 -18.0046 9.2931 9.2931 12.0841 12.0841 12.0861 12.0861 13.3804 13.3804 13.3952 13.3952 13.8211 13.8211 16.0401 16.0401 16.0639 16.0639 16.4202 16.4202 17.0883 17.0883 k = 0.1902 0.1902 0.1902 ( 2142 PWs) bands (ev): -42.0043 -42.0043 -18.6680 -18.6680 -18.0173 -18.0173 -18.0085 -18.0085 9.3920 9.3920 12.1251 12.1251 12.1274 12.1274 13.3546 13.3546 13.3679 13.3679 13.7608 13.7608 16.0457 16.0457 16.0696 16.0696 16.4569 16.4569 17.0517 17.0517 k = 0.1957 0.1957 0.1957 ( 2145 PWs) bands (ev): -42.0027 -42.0027 -18.6717 -18.6717 -18.0213 -18.0213 -18.0124 -18.0124 9.4922 9.4922 12.1661 12.1661 12.1687 12.1687 13.3284 13.3284 13.3404 13.3404 13.6976 13.6976 16.0514 16.0514 16.0751 16.0751 16.5010 16.5010 17.0165 17.0165 k = 0.2011 0.2011 0.2011 ( 2145 PWs) bands (ev): -42.0012 -42.0012 -18.6754 -18.6754 -18.0252 -18.0252 -18.0164 -18.0164 9.5938 9.5938 12.2070 12.2070 12.2100 12.2100 13.3021 13.3021 13.3126 13.3126 13.6321 13.6321 16.0568 16.0568 16.0802 16.0802 16.5519 16.5519 16.9829 16.9829 k = 0.2065 0.2065 0.2065 ( 2151 PWs) bands (ev): -41.9996 -41.9996 -18.6792 -18.6792 -18.0292 -18.0292 -18.0204 -18.0204 9.6964 9.6964 12.2477 12.2477 12.2511 12.2511 13.2756 13.2756 13.2846 13.2846 13.5650 13.5650 16.0617 16.0617 16.0846 16.0846 16.6089 16.6089 16.9514 16.9514 k = 0.2120 0.2120 0.2120 ( 2145 PWs) bands (ev): -41.9981 -41.9981 -18.6829 -18.6829 -18.0331 -18.0331 -18.0244 -18.0244 9.8001 9.8001 12.2882 12.2882 12.2919 12.2919 13.2490 13.2490 13.2564 13.2564 13.4969 13.4969 16.0658 16.0658 16.0878 16.0878 16.6718 16.6718 16.9225 16.9225 k = 0.2174 0.2174 0.2174 ( 2151 PWs) bands (ev): -41.9965 -41.9965 -18.6867 -18.6867 -18.0371 -18.0371 -18.0285 -18.0285 9.9047 9.9047 12.3283 12.3283 12.3324 12.3324 13.2225 13.2225 13.2279 13.2279 13.4287 13.4287 16.0686 16.0686 16.0894 16.0894 16.7398 16.7398 16.8967 16.8967 k = 0.2228 0.2228 0.2228 ( 2157 PWs) bands (ev): -41.9949 -41.9949 -18.6904 -18.6904 -18.0410 -18.0410 -18.0325 -18.0325 10.0100 10.0100 12.3679 12.3679 12.3724 12.3724 13.1960 13.1960 13.1991 13.1991 13.3609 13.3609 16.0696 16.0696 16.0889 16.0889 16.8124 16.8124 16.8749 16.8749 k = 0.2283 0.2283 0.2283 ( 2151 PWs) bands (ev): -41.9933 -41.9933 -18.6942 -18.6942 -18.0450 -18.0450 -18.0366 -18.0366 10.1158 10.1158 12.4071 12.4071 12.4118 12.4118 13.1696 13.1696 13.1696 13.1696 13.2944 13.2944 16.0685 16.0685 16.0859 16.0859 16.8541 16.8541 16.8648 16.8648 k = 0.2337 0.2337 0.2337 ( 2157 PWs) bands (ev): -41.9917 -41.9917 -18.6980 -18.6980 -18.0489 -18.0489 -18.0408 -18.0408 10.2222 10.2222 12.4455 12.4455 12.4506 12.4506 13.1384 13.1384 13.1435 13.1435 13.2308 13.2308 16.0648 16.0648 16.0799 16.0799 16.8415 16.8415 16.8503 16.8503 k = 0.2391 0.2391 0.2391 ( 2157 PWs) bands (ev): -41.9901 -41.9901 -18.7018 -18.7018 -18.0528 -18.0528 -18.0449 -18.0449 10.3288 10.3288 12.4833 12.4833 12.4886 12.4886 13.1027 13.1027 13.1177 13.1177 13.1731 13.1731 16.0581 16.0581 16.0706 16.0706 16.8328 16.8328 16.8403 16.8403 k = 0.2446 0.2446 0.2446 ( 2157 PWs) bands (ev): -41.9884 -41.9884 -18.7055 -18.7055 -18.0567 -18.0567 -18.0490 -18.0490 10.4356 10.4356 12.5203 12.5203 12.5258 12.5258 13.0584 13.0584 13.0922 13.0922 13.1261 13.1261 16.0481 16.0481 16.0578 16.0578 16.8291 16.8291 16.8353 16.8353 k = 0.2500 0.2500 0.2500 ( 2157 PWs) bands (ev): -41.9868 -41.9868 -18.7093 -18.7093 -18.0606 -18.0606 -18.0531 -18.0531 10.5424 10.5424 12.5563 12.5563 12.5619 12.5619 13.0055 13.0055 13.0671 13.0671 13.0899 13.0899 16.0347 16.0347 16.0415 16.0415 16.8306 16.8306 16.8354 16.8354 k = 0.2554 0.2554 0.2554 ( 2157 PWs) bands (ev): -41.9852 -41.9852 -18.7131 -18.7131 -18.0645 -18.0645 -18.0572 -18.0572 10.6490 10.6490 12.5915 12.5915 12.5969 12.5969 12.9492 12.9492 13.0426 13.0426 13.0600 13.0600 16.0179 16.0179 16.0217 16.0217 16.8373 16.8373 16.8405 16.8405 k = 0.2609 0.2609 0.2609 ( 2157 PWs) bands (ev): -41.9836 -41.9836 -18.7168 -18.7168 -18.0683 -18.0683 -18.0614 -18.0614 10.7553 10.7553 12.6255 12.6255 12.6305 12.6305 12.8931 12.8931 13.0186 13.0186 13.0330 13.0330 15.9979 15.9979 15.9987 15.9987 16.8488 16.8488 16.8506 16.8506 k = 0.2663 0.2663 0.2663 ( 2166 PWs) bands (ev): -41.9820 -41.9820 -18.7205 -18.7205 -18.0721 -18.0721 -18.0654 -18.0654 10.8610 10.8610 12.6584 12.6584 12.6621 12.6621 12.8389 12.8389 12.9952 12.9952 13.0079 13.0079 15.9729 15.9729 15.9748 15.9748 16.8648 16.8648 16.8654 16.8654 k = 0.2717 0.2717 0.2717 ( 2160 PWs) bands (ev): -41.9804 -41.9804 -18.7242 -18.7242 -18.0759 -18.0759 -18.0695 -18.0695 10.9661 10.9661 12.6900 12.6900 12.6901 12.6901 12.7891 12.7891 12.9726 12.9726 12.9843 12.9843 15.9445 15.9445 15.9490 15.9490 16.8846 16.8846 16.8851 16.8851 k = 0.2772 0.2772 0.2772 ( 2160 PWs) bands (ev): -41.9788 -41.9788 -18.7279 -18.7279 -18.0796 -18.0796 -18.0736 -18.0736 11.0702 11.0702 12.7023 12.7023 12.7204 12.7204 12.7557 12.7557 12.9509 12.9509 12.9622 12.9622 15.9140 15.9140 15.9209 15.9209 16.9077 16.9077 16.9092 16.9092 k = 0.2826 0.2826 0.2826 ( 2160 PWs) bands (ev): -41.9773 -41.9773 -18.7315 -18.7315 -18.0833 -18.0833 -18.0776 -18.0776 11.1733 11.1733 12.6732 12.6732 12.7491 12.7491 12.7642 12.7642 12.9302 12.9302 12.9419 12.9419 15.8818 15.8818 15.8909 15.8909 16.9345 16.9345 16.9367 16.9367 k = 0.2880 0.2880 0.2880 ( 2166 PWs) bands (ev): -41.9757 -41.9757 -18.7351 -18.7351 -18.0870 -18.0870 -18.0816 -18.0816 11.2751 11.2751 12.6315 12.6315 12.7758 12.7758 12.7854 12.7854 12.9111 12.9111 12.9239 12.9239 15.8482 15.8482 15.8592 15.8592 16.9644 16.9644 16.9672 16.9672 k = 0.2935 0.2935 0.2935 ( 2160 PWs) bands (ev): -41.9741 -41.9741 -18.7387 -18.7387 -18.0906 -18.0906 -18.0855 -18.0855 11.3755 11.3755 12.5903 12.5903 12.7995 12.7995 12.8046 12.8046 12.8944 12.8944 12.9100 12.9100 15.8136 15.8136 15.8262 15.8262 16.9973 16.9973 17.0004 17.0004 k = 0.2989 0.2989 0.2989 ( 2160 PWs) bands (ev): -41.9726 -41.9726 -18.7422 -18.7422 -18.0942 -18.0942 -18.0894 -18.0894 11.4741 11.4741 12.5516 12.5516 12.8168 12.8168 12.8173 12.8173 12.8831 12.8831 12.9034 12.9034 15.7781 15.7781 15.7922 15.7922 17.0327 17.0327 17.0360 17.0360 k = 0.3043 0.3043 0.3043 ( 2160 PWs) bands (ev): -41.9711 -41.9711 -18.7457 -18.7457 -18.0977 -18.0977 -18.0933 -18.0933 11.5708 11.5708 12.5159 12.5159 12.8184 12.8184 12.8229 12.8229 12.8836 12.8836 12.9071 12.9071 15.7421 15.7421 15.7574 15.7574 17.0704 17.0704 17.0737 17.0737 k = 0.3098 0.3098 0.3098 ( 2157 PWs) bands (ev): -41.9696 -41.9696 -18.7491 -18.7491 -18.1012 -18.1012 -18.0971 -18.0971 11.6653 11.6653 12.4834 12.4834 12.8112 12.8112 12.8158 12.8158 12.8962 12.8962 12.9193 12.9193 15.7058 15.7058 15.7222 15.7222 17.1100 17.1100 17.1133 17.1133 k = 0.3152 0.3152 0.3152 ( 2157 PWs) bands (ev): -41.9681 -41.9681 -18.7525 -18.7525 -18.1047 -18.1047 -18.1008 -18.1008 11.7573 11.7573 12.4544 12.4544 12.7998 12.7998 12.8035 12.8035 12.9136 12.9136 12.9353 12.9353 15.6694 15.6694 15.6866 15.6866 17.1513 17.1513 17.1545 17.1545 k = 0.3207 0.3207 0.3207 ( 2157 PWs) bands (ev): -41.9667 -41.9667 -18.7558 -18.7558 -18.1081 -18.1081 -18.1045 -18.1045 11.8464 11.8464 12.4292 12.4292 12.7871 12.7871 12.7899 12.7899 12.9318 12.9318 12.9522 12.9522 15.6329 15.6329 15.6508 15.6508 17.1940 17.1940 17.1971 17.1971 k = 0.3261 0.3261 0.3261 ( 2151 PWs) bands (ev): -41.9652 -41.9652 -18.7591 -18.7591 -18.1114 -18.1114 -18.1082 -18.1082 11.9321 11.9321 12.4080 12.4080 12.7741 12.7741 12.7764 12.7764 12.9494 12.9494 12.9689 12.9689 15.5967 15.5967 15.6151 15.6151 17.2380 17.2380 17.2408 17.2408 k = 0.3315 0.3315 0.3315 ( 2151 PWs) bands (ev): -41.9638 -41.9638 -18.7624 -18.7624 -18.1147 -18.1147 -18.1117 -18.1117 12.0135 12.0135 12.3917 12.3917 12.7616 12.7616 12.7635 12.7635 12.9660 12.9660 12.9846 12.9846 15.5608 15.5608 15.5795 15.5795 17.2831 17.2831 17.2856 17.2856 k = 0.3370 0.3370 0.3370 ( 2151 PWs) bands (ev): -41.9625 -41.9625 -18.7655 -18.7655 -18.1179 -18.1179 -18.1152 -18.1152 12.0891 12.0891 12.3815 12.3815 12.7497 12.7497 12.7513 12.7513 12.9814 12.9814 12.9993 12.9993 15.5253 15.5253 15.5443 15.5443 17.3289 17.3289 17.3311 17.3311 k = 0.3424 0.3424 0.3424 ( 2148 PWs) bands (ev): -41.9611 -41.9611 -18.7686 -18.7686 -18.1210 -18.1210 -18.1186 -18.1186 12.1560 12.1560 12.3801 12.3801 12.7387 12.7387 12.7400 12.7400 12.9955 12.9955 13.0127 13.0127 15.4903 15.4903 15.5094 15.5094 17.3754 17.3754 17.3772 17.3772 k = 0.3478 0.3478 0.3478 ( 2154 PWs) bands (ev): -41.9598 -41.9598 -18.7717 -18.7717 -18.1241 -18.1241 -18.1219 -18.1219 12.2090 12.2090 12.3925 12.3925 12.7285 12.7285 12.7296 12.7296 13.0083 13.0083 13.0247 13.0247 15.4560 15.4560 15.4750 15.4750 17.4223 17.4223 17.4238 17.4238 k = 0.3533 0.3533 0.3533 ( 2154 PWs) bands (ev): -41.9585 -41.9585 -18.7746 -18.7746 -18.1271 -18.1271 -18.1252 -18.1252 12.2432 12.2432 12.4236 12.4236 12.7194 12.7194 12.7202 12.7202 13.0197 13.0197 13.0353 13.0353 15.4224 15.4224 15.4412 15.4412 17.4694 17.4694 17.4706 17.4706 k = 0.3587 0.3587 0.3587 ( 2169 PWs) bands (ev): -41.9572 -41.9572 -18.7775 -18.7775 -18.1301 -18.1301 -18.1284 -18.1284 12.2614 12.2614 12.4701 12.4701 12.7113 12.7113 12.7117 12.7117 13.0298 13.0298 13.0445 13.0445 15.3896 15.3896 15.4081 15.4081 17.5166 17.5166 17.5174 17.5174 k = 0.3641 0.3641 0.3641 ( 2169 PWs) bands (ev): -41.9560 -41.9560 -18.7803 -18.7803 -18.1330 -18.1330 -18.1314 -18.1314 12.2716 12.2716 12.5240 12.5240 12.7042 12.7042 12.7042 12.7042 13.0385 13.0385 13.0522 13.0522 15.3577 15.3577 15.3757 15.3757 17.5637 17.5637 17.5643 17.5643 k = 0.3696 0.3696 0.3696 ( 2175 PWs) bands (ev): -41.9548 -41.9548 -18.7831 -18.7831 -18.1358 -18.1358 -18.1344 -18.1344 12.2793 12.2793 12.5796 12.5796 12.6978 12.6978 12.6982 12.6982 13.0459 13.0459 13.0586 13.0586 15.3267 15.3267 15.3442 15.3442 17.6106 17.6106 17.6108 17.6108 k = 0.3750 0.3750 0.3750 ( 2175 PWs) bands (ev): -41.9537 -41.9537 -18.7857 -18.7857 -18.1385 -18.1385 -18.1373 -18.1373 12.2870 12.2870 12.6338 12.6338 12.6923 12.6923 12.6934 12.6934 13.0520 13.0520 13.0635 13.0635 15.2967 15.2967 15.3136 15.3136 17.6569 17.6569 17.6570 17.6570 k = 0.3804 0.3804 0.3804 ( 2176 PWs) bands (ev): -41.9526 -41.9526 -18.7883 -18.7883 -18.1411 -18.1411 -18.1401 -18.1401 12.2958 12.2958 12.6813 12.6813 12.6878 12.6878 12.6941 12.6941 13.0568 13.0568 13.0671 13.0671 15.2677 15.2677 15.2840 15.2840 17.7025 17.7025 17.7028 17.7028 k = 0.3859 0.3859 0.3859 ( 2182 PWs) bands (ev): -41.9515 -41.9515 -18.7907 -18.7907 -18.1436 -18.1436 -18.1428 -18.1428 12.3064 12.3064 12.6843 12.6843 12.6849 12.6849 12.7365 12.7365 13.0604 13.0604 13.0693 13.0693 15.2399 15.2399 15.2554 15.2554 17.7473 17.7473 17.7478 17.7478 k = 0.3913 0.3913 0.3913 ( 2182 PWs) bands (ev): -41.9505 -41.9505 -18.7931 -18.7931 -18.1461 -18.1461 -18.1454 -18.1454 12.3189 12.3189 12.6817 12.6817 12.6832 12.6832 12.7816 12.7816 13.0628 13.0628 13.0703 13.0703 15.2132 15.2132 15.2279 15.2279 17.7913 17.7913 17.7919 17.7919 k = 0.3967 0.3967 0.3967 ( 2182 PWs) bands (ev): -41.9495 -41.9495 -18.7954 -18.7954 -18.1485 -18.1485 -18.1478 -18.1478 12.3334 12.3334 12.6800 12.6800 12.6823 12.6823 12.8231 12.8231 13.0640 13.0640 13.0700 13.0700 15.1877 15.1877 15.2015 15.2015 17.8342 17.8342 17.8349 17.8349 k = 0.4022 0.4022 0.4022 ( 2170 PWs) bands (ev): -41.9485 -41.9485 -18.7976 -18.7976 -18.1507 -18.1507 -18.1502 -18.1502 12.3498 12.3498 12.6792 12.6792 12.6823 12.6823 12.8608 12.8608 13.0642 13.0642 13.0686 13.0686 15.1635 15.1635 15.1763 15.1763 17.8759 17.8759 17.8768 17.8768 k = 0.4076 0.4076 0.4076 ( 2170 PWs) bands (ev): -41.9476 -41.9476 -18.7997 -18.7997 -18.1529 -18.1529 -18.1525 -18.1525 12.3682 12.3682 12.6793 12.6793 12.6832 12.6832 12.8944 12.8944 13.0634 13.0634 13.0661 13.0661 15.1404 15.1404 15.1522 15.1522 17.9162 17.9162 17.9172 17.9172 k = 0.4130 0.4130 0.4130 ( 2170 PWs) bands (ev): -41.9468 -41.9468 -18.8017 -18.8017 -18.1549 -18.1549 -18.1546 -18.1546 12.3883 12.3883 12.6801 12.6801 12.6850 12.6850 12.9240 12.9240 13.0615 13.0615 13.0625 13.0625 15.1187 15.1187 15.1295 15.1295 17.9551 17.9551 17.9561 17.9561 k = 0.4185 0.4185 0.4185 ( 2170 PWs) bands (ev): -41.9460 -41.9460 -18.8035 -18.8035 -18.1569 -18.1569 -18.1566 -18.1566 12.4100 12.4100 12.6817 12.6817 12.6876 12.6876 12.9494 12.9494 13.0581 13.0581 13.0589 13.0589 15.0982 15.0982 15.1080 15.1080 17.9924 17.9924 17.9934 17.9934 k = 0.4239 0.4239 0.4239 ( 2170 PWs) bands (ev): -41.9452 -41.9452 -18.8053 -18.8053 -18.1587 -18.1587 -18.1585 -18.1585 12.4333 12.4333 12.6840 12.6840 12.6910 12.6910 12.9706 12.9706 13.0530 13.0530 13.0554 13.0554 15.0791 15.0791 15.0878 15.0878 18.0279 18.0279 18.0289 18.0289 k = 0.4293 0.4293 0.4293 ( 2170 PWs) bands (ev): -41.9445 -41.9445 -18.8070 -18.8070 -18.1604 -18.1604 -18.1603 -18.1603 12.4578 12.4578 12.6869 12.6869 12.6951 12.6951 12.9875 12.9875 13.0474 13.0474 13.0512 13.0512 15.0613 15.0613 15.0690 15.0690 18.0616 18.0616 18.0625 18.0625 k = 0.4348 0.4348 0.4348 ( 2179 PWs) bands (ev): -41.9438 -41.9438 -18.8085 -18.8085 -18.1621 -18.1621 -18.1619 -18.1619 12.4834 12.4834 12.6903 12.6903 12.6999 12.6999 13.0000 13.0000 13.0418 13.0418 13.0465 13.0465 15.0447 15.0447 15.0515 15.0515 18.0932 18.0932 18.0941 18.0941 k = 0.4402 0.4402 0.4402 ( 2191 PWs) bands (ev): -41.9432 -41.9432 -18.8099 -18.8099 -18.1635 -18.1635 -18.1635 -18.1635 12.5098 12.5098 12.6942 12.6942 12.7053 12.7053 13.0073 13.0073 13.0370 13.0370 13.0412 13.0412 15.0296 15.0296 15.0354 15.0354 18.1228 18.1228 18.1236 18.1236 k = 0.4457 0.4457 0.4457 ( 2197 PWs) bands (ev): -41.9426 -41.9426 -18.8113 -18.8113 -18.1649 -18.1649 -18.1649 -18.1649 12.5368 12.5368 12.6985 12.6985 12.7112 12.7112 13.0086 13.0086 13.0344 13.0344 13.0356 13.0356 15.0157 15.0157 15.0206 15.0206 18.1501 18.1501 18.1508 18.1508 k = 0.4511 0.4511 0.4511 ( 2200 PWs) bands (ev): -41.9421 -41.9421 -18.8124 -18.8124 -18.1662 -18.1662 -18.1661 -18.1661 12.5641 12.5641 12.7030 12.7030 12.7175 12.7175 13.0047 13.0047 13.0298 13.0298 13.0333 13.0333 15.0032 15.0032 15.0072 15.0072 18.1752 18.1752 18.1758 18.1758 k = 0.4565 0.4565 0.4565 ( 2200 PWs) bands (ev): -41.9417 -41.9417 -18.8135 -18.8135 -18.1673 -18.1673 -18.1673 -18.1673 12.5912 12.5912 12.7076 12.7076 12.7241 12.7241 12.9980 12.9980 13.0240 13.0240 13.0317 13.0317 14.9921 14.9921 14.9953 14.9953 18.1978 18.1978 18.1983 18.1983 k = 0.4620 0.4620 0.4620 ( 2194 PWs) bands (ev): -41.9413 -41.9413 -18.8145 -18.8145 -18.1683 -18.1683 -18.1683 -18.1683 12.6180 12.6180 12.7123 12.7123 12.7308 12.7308 12.9902 12.9902 13.0182 13.0182 13.0287 13.0287 14.9822 14.9822 14.9847 14.9847 18.2180 18.2180 18.2184 18.2184 k = 0.4674 0.4674 0.4674 ( 2188 PWs) bands (ev): -41.9409 -41.9409 -18.8153 -18.8153 -18.1692 -18.1692 -18.1691 -18.1691 12.6437 12.6437 12.7168 12.7168 12.7376 12.7376 12.9820 12.9820 13.0127 13.0127 13.0240 13.0240 14.9737 14.9737 14.9756 14.9756 18.2356 18.2356 18.2359 18.2359 k = 0.4728 0.4728 0.4728 ( 2182 PWs) bands (ev): -41.9406 -41.9406 -18.8160 -18.8160 -18.1699 -18.1699 -18.1699 -18.1699 12.6677 12.6677 12.7209 12.7209 12.7443 12.7443 12.9739 12.9739 13.0076 13.0076 13.0181 13.0181 14.9665 14.9665 14.9678 14.9678 18.2507 18.2507 18.2509 18.2509 k = 0.4783 0.4783 0.4783 ( 2176 PWs) bands (ev): -41.9404 -41.9404 -18.8166 -18.8166 -18.1705 -18.1705 -18.1705 -18.1705 12.6894 12.6894 12.7246 12.7246 12.7507 12.7507 12.9661 12.9661 13.0031 13.0031 13.0114 13.0114 14.9606 14.9606 14.9615 14.9615 18.2630 18.2630 18.2632 18.2632 k = 0.4837 0.4837 0.4837 ( 2176 PWs) bands (ev): -41.9402 -41.9402 -18.8170 -18.8170 -18.1710 -18.1710 -18.1710 -18.1710 12.7075 12.7075 12.7277 12.7277 12.7567 12.7567 12.9591 12.9591 12.9994 12.9994 13.0049 13.0049 14.9560 14.9560 14.9565 14.9565 18.2727 18.2727 18.2728 18.2728 k = 0.4891 0.4891 0.4891 ( 2176 PWs) bands (ev): -41.9400 -41.9400 -18.8173 -18.8173 -18.1713 -18.1713 -18.1713 -18.1713 12.7210 12.7210 12.7300 12.7300 12.7620 12.7620 12.9533 12.9533 12.9967 12.9967 12.9994 12.9994 14.9528 14.9528 14.9530 14.9530 18.2796 18.2796 18.2797 18.2797 k = 0.4946 0.4946 0.4946 ( 2176 PWs) bands (ev): -41.9399 -41.9399 -18.8175 -18.8175 -18.1715 -18.1715 -18.1715 -18.1715 12.7292 12.7292 12.7314 12.7314 12.7660 12.7660 12.9494 12.9494 12.9949 12.9949 12.9957 12.9957 14.9508 14.9508 14.9509 14.9509 18.2838 18.2838 18.2838 18.2838 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): -41.9399 -41.9399 -18.8176 -18.8176 -18.1716 -18.1716 -18.1716 -18.1716 12.7319 12.7319 12.7319 12.7319 12.7675 12.7675 12.9480 12.9480 12.9944 12.9944 12.9944 12.9944 14.9502 14.9502 14.9502 14.9502 18.2852 18.2852 18.2852 18.2852 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): -41.9399 -41.9399 -18.8176 -18.8176 -18.1716 -18.1716 -18.1716 -18.1716 12.7319 12.7319 12.7319 12.7319 12.7675 12.7675 12.9480 12.9480 12.9944 12.9944 12.9944 12.9944 14.9502 14.9502 14.9502 14.9502 18.2852 18.2852 18.2852 18.2852 k = 0.4933 0.5000 0.4933 ( 2176 PWs) bands (ev): -41.9399 -41.9399 -18.8175 -18.8175 -18.1716 -18.1716 -18.1715 -18.1715 12.7294 12.7294 12.7313 12.7313 12.7660 12.7660 12.9494 12.9494 12.9941 12.9941 12.9965 12.9965 14.9505 14.9505 14.9512 14.9512 18.2831 18.2831 18.2845 18.2845 k = 0.4867 0.5000 0.4867 ( 2176 PWs) bands (ev): -41.9400 -41.9400 -18.8173 -18.8173 -18.1715 -18.1715 -18.1711 -18.1711 12.7220 12.7220 12.7291 12.7291 12.7620 12.7620 12.9526 12.9526 12.9935 12.9935 13.0032 13.0032 14.9515 14.9515 14.9543 14.9543 18.2770 18.2770 18.2823 18.2823 k = 0.4800 0.5000 0.4800 ( 2176 PWs) bands (ev): -41.9402 -41.9402 -18.8170 -18.8170 -18.1714 -18.1714 -18.1706 -18.1706 12.7104 12.7104 12.7246 12.7246 12.7568 12.7568 12.9561 12.9561 12.9929 12.9929 13.0146 13.0146 14.9531 14.9531 14.9595 14.9595 18.2668 18.2668 18.2786 18.2786 k = 0.4733 0.5000 0.4733 ( 2176 PWs) bands (ev): -41.9404 -41.9404 -18.8166 -18.8166 -18.1712 -18.1712 -18.1698 -18.1698 12.6955 12.6955 12.7167 12.7167 12.7521 12.7521 12.9581 12.9581 12.9927 12.9927 13.0304 13.0304 14.9553 14.9553 14.9666 14.9666 18.2526 18.2526 18.2735 18.2735 k = 0.4667 0.5000 0.4667 ( 2184 PWs) bands (ev): -41.9406 -41.9406 -18.8160 -18.8160 -18.1710 -18.1710 -18.1687 -18.1687 12.6783 12.6783 12.7050 12.7050 12.7487 12.7487 12.9578 12.9578 12.9936 12.9936 13.0496 13.0496 14.9581 14.9581 14.9757 14.9757 18.2346 18.2346 18.2670 18.2670 k = 0.4600 0.5000 0.4600 ( 2188 PWs) bands (ev): -41.9409 -41.9409 -18.8153 -18.8153 -18.1708 -18.1708 -18.1675 -18.1675 12.6595 12.6595 12.6900 12.6900 12.7465 12.7465 12.9551 12.9551 12.9957 12.9957 13.0713 13.0713 14.9616 14.9616 14.9867 14.9867 18.2128 18.2128 18.2591 18.2591 k = 0.4533 0.5000 0.4533 ( 2192 PWs) bands (ev): -41.9413 -41.9413 -18.8145 -18.8145 -18.1705 -18.1705 -18.1660 -18.1660 12.6396 12.6396 12.6723 12.6723 12.7449 12.7449 12.9502 12.9502 12.9988 12.9988 13.0949 13.0949 14.9656 14.9656 14.9994 14.9994 18.1873 18.1873 18.2497 18.2497 k = 0.4467 0.5000 0.4467 ( 2192 PWs) bands (ev): -41.9417 -41.9417 -18.8135 -18.8135 -18.1702 -18.1702 -18.1643 -18.1643 12.6188 12.6188 12.6525 12.6525 12.7437 12.7437 12.9438 12.9438 13.0024 13.0024 13.1197 13.1197 14.9702 14.9702 15.0138 15.0138 18.1584 18.1584 18.2390 18.2390 k = 0.4400 0.5000 0.4400 ( 2200 PWs) bands (ev): -41.9421 -41.9421 -18.8125 -18.8125 -18.1698 -18.1698 -18.1624 -18.1624 12.5975 12.5975 12.6310 12.6310 12.7428 12.7428 12.9360 12.9360 13.0062 13.0062 13.1454 13.1454 14.9753 14.9753 15.0299 15.0299 18.1261 18.1261 18.2270 18.2270 k = 0.4333 0.5000 0.4333 ( 2186 PWs) bands (ev): -41.9426 -41.9426 -18.8113 -18.8113 -18.1694 -18.1694 -18.1603 -18.1603 12.5754 12.5754 12.6084 12.6084 12.7420 12.7420 12.9273 12.9273 13.0101 13.0101 13.1717 13.1717 14.9809 14.9809 15.0474 15.0474 18.0906 18.0906 18.2136 18.2136 k = 0.4267 0.5000 0.4267 ( 2194 PWs) bands (ev): -41.9432 -41.9432 -18.8100 -18.8100 -18.1690 -18.1690 -18.1579 -18.1579 12.5526 12.5526 12.5850 12.5850 12.7413 12.7413 12.9178 12.9178 13.0139 13.0139 13.1985 13.1985 14.9871 14.9871 15.0663 15.0663 18.0522 18.0522 18.1990 18.1990 k = 0.4200 0.5000 0.4200 ( 2190 PWs) bands (ev): -41.9438 -41.9438 -18.8087 -18.8087 -18.1685 -18.1685 -18.1554 -18.1554 12.5286 12.5286 12.5615 12.5615 12.7408 12.7408 12.9077 12.9077 13.0176 13.0176 13.2254 13.2254 14.9936 14.9936 15.0864 15.0864 18.0110 18.0110 18.1831 18.1831 k = 0.4133 0.5000 0.4133 ( 2186 PWs) bands (ev): -41.9445 -41.9445 -18.8072 -18.8072 -18.1680 -18.1680 -18.1527 -18.1527 12.5031 12.5031 12.5384 12.5384 12.7403 12.7403 12.8971 12.8971 13.0212 13.0212 13.2524 13.2524 15.0006 15.0006 15.1076 15.1076 17.9671 17.9671 18.1661 18.1661 k = 0.4067 0.5000 0.4067 ( 2186 PWs) bands (ev): -41.9452 -41.9452 -18.8056 -18.8056 -18.1674 -18.1674 -18.1497 -18.1497 12.4759 12.4759 12.5160 12.5160 12.7400 12.7400 12.8861 12.8861 13.0247 13.0247 13.2794 13.2794 15.0081 15.0081 15.1298 15.1298 17.9208 17.9208 18.1479 18.1479 k = 0.4000 0.5000 0.4000 ( 2174 PWs) bands (ev): -41.9459 -41.9459 -18.8039 -18.8039 -18.1667 -18.1667 -18.1466 -18.1466 12.4470 12.4470 12.4946 12.4946 12.7398 12.7398 12.8749 12.8749 13.0282 13.0282 13.3061 13.3061 15.0159 15.0159 15.1529 15.1529 17.8722 17.8722 18.1288 18.1288 k = 0.3933 0.5000 0.3933 ( 2174 PWs) bands (ev): -41.9467 -41.9467 -18.8022 -18.8022 -18.1661 -18.1661 -18.1433 -18.1433 12.4166 12.4166 12.4739 12.4739 12.7397 12.7397 12.8635 12.8635 13.0315 13.0315 13.3325 13.3325 15.0241 15.0241 15.1767 15.1767 17.8215 17.8215 18.1087 18.1087 k = 0.3867 0.5000 0.3867 ( 2170 PWs) bands (ev): -41.9475 -41.9475 -18.8003 -18.8003 -18.1654 -18.1654 -18.1398 -18.1398 12.3850 12.3850 12.4538 12.4538 12.7397 12.7397 12.8521 12.8521 13.0349 13.0349 13.3585 13.3585 15.0326 15.0326 15.2012 15.2012 17.7688 17.7688 18.0878 18.0878 k = 0.3800 0.5000 0.3800 ( 2174 PWs) bands (ev): -41.9484 -41.9484 -18.7984 -18.7984 -18.1646 -18.1646 -18.1361 -18.1361 12.3525 12.3525 12.4342 12.4342 12.7400 12.7400 12.8407 12.8407 13.0383 13.0383 13.3840 13.3840 15.0414 15.0414 15.2261 15.2261 17.7144 17.7144 18.0661 18.0661 k = 0.3733 0.5000 0.3733 ( 2176 PWs) bands (ev): -41.9493 -41.9493 -18.7964 -18.7964 -18.1638 -18.1638 -18.1323 -18.1323 12.3192 12.3192 12.4150 12.4150 12.7404 12.7404 12.8294 12.8294 13.0417 13.0417 13.4088 13.4088 15.0506 15.0506 15.2514 15.2514 17.6583 17.6583 18.0438 18.0438 k = 0.3667 0.5000 0.3667 ( 2168 PWs) bands (ev): -41.9503 -41.9503 -18.7944 -18.7944 -18.1630 -18.1630 -18.1283 -18.1283 12.2852 12.2852 12.3961 12.3961 12.7409 12.7409 12.8184 12.8184 13.0453 13.0453 13.4329 13.4329 15.0600 15.0600 15.2770 15.2770 17.6007 17.6007 18.0210 18.0210 k = 0.3600 0.5000 0.3600 ( 2172 PWs) bands (ev): -41.9513 -41.9513 -18.7923 -18.7923 -18.1621 -18.1621 -18.1241 -18.1241 12.2507 12.2507 12.3775 12.3775 12.7417 12.7417 12.8078 12.8078 13.0491 13.0491 13.4562 13.4562 15.0697 15.0697 15.3027 15.3027 17.5417 17.5417 17.9978 17.9978 k = 0.3533 0.5000 0.3533 ( 2172 PWs) bands (ev): -41.9523 -41.9523 -18.7901 -18.7901 -18.1611 -18.1611 -18.1198 -18.1198 12.2158 12.2158 12.3591 12.3591 12.7425 12.7425 12.7976 12.7976 13.0531 13.0531 13.4785 13.4785 15.0796 15.0796 15.3285 15.3285 17.4814 17.4814 17.9744 17.9744 k = 0.3467 0.5000 0.3467 ( 2170 PWs) bands (ev): -41.9534 -41.9534 -18.7879 -18.7879 -18.1601 -18.1601 -18.1153 -18.1153 12.1806 12.1806 12.3407 12.3407 12.7433 12.7433 12.7881 12.7881 13.0574 13.0574 13.4998 13.4998 15.0897 15.0897 15.3542 15.3542 17.4200 17.4200 17.9510 17.9510 k = 0.3400 0.5000 0.3400 ( 2170 PWs) bands (ev): -41.9544 -41.9544 -18.7857 -18.7857 -18.1591 -18.1591 -18.1107 -18.1107 12.1452 12.1452 12.3225 12.3225 12.7438 12.7438 12.7797 12.7797 13.0620 13.0620 13.5200 13.5200 15.1000 15.1000 15.3797 15.3797 17.3575 17.3575 17.9276 17.9276 k = 0.3333 0.5000 0.3333 ( 2158 PWs) bands (ev): -41.9556 -41.9556 -18.7834 -18.7834 -18.1581 -18.1581 -18.1060 -18.1060 12.1097 12.1097 12.3043 12.3043 12.7434 12.7434 12.7731 12.7731 13.0671 13.0671 13.5391 13.5391 15.1105 15.1105 15.4050 15.4050 17.2941 17.2941 17.9044 17.9044 k = 0.3267 0.5000 0.3267 ( 2162 PWs) bands (ev): -41.9567 -41.9567 -18.7811 -18.7811 -18.1569 -18.1569 -18.1012 -18.1012 12.0742 12.0742 12.2861 12.2861 12.7412 12.7412 12.7692 12.7692 13.0727 13.0727 13.5570 13.5570 15.1212 15.1212 15.4299 15.4299 17.2298 17.2298 17.8816 17.8816 k = 0.3200 0.5000 0.3200 ( 2162 PWs) bands (ev): -41.9579 -41.9579 -18.7788 -18.7788 -18.1558 -18.1558 -18.0963 -18.0963 12.0387 12.0387 12.2678 12.2678 12.7369 12.7369 12.7683 12.7683 13.0788 13.0788 13.5736 13.5736 15.1320 15.1320 15.4544 15.4544 17.1648 17.1648 17.8593 17.8593 k = 0.3133 0.5000 0.3133 ( 2156 PWs) bands (ev): -41.9591 -41.9591 -18.7765 -18.7765 -18.1546 -18.1546 -18.0912 -18.0912 12.0034 12.0034 12.2493 12.2493 12.7313 12.7313 12.7699 12.7699 13.0855 13.0855 13.5889 13.5889 15.1430 15.1430 15.4784 15.4784 17.0991 17.0991 17.8377 17.8377 k = 0.3067 0.5000 0.3067 ( 2156 PWs) bands (ev): -41.9603 -41.9603 -18.7742 -18.7742 -18.1533 -18.1533 -18.0861 -18.0861 11.9682 11.9682 12.2307 12.2307 12.7252 12.7252 12.7731 12.7731 13.0928 13.0928 13.6029 13.6029 15.1540 15.1540 15.5018 15.5018 17.0327 17.0327 17.8169 17.8169 k = 0.3000 0.5000 0.3000 ( 2158 PWs) bands (ev): -41.9615 -41.9615 -18.7718 -18.7718 -18.1521 -18.1521 -18.0809 -18.0809 11.9332 11.9332 12.2118 12.2118 12.7191 12.7191 12.7774 12.7774 13.1009 13.1009 13.6156 13.6156 15.1652 15.1652 15.5245 15.5245 16.9658 16.9658 17.7970 17.7970 k = 0.2933 0.5000 0.2933 ( 2158 PWs) bands (ev): -41.9627 -41.9627 -18.7695 -18.7695 -18.1507 -18.1507 -18.0756 -18.0756 11.8985 11.8985 12.1926 12.1926 12.7133 12.7133 12.7826 12.7826 13.1098 13.1098 13.6269 13.6269 15.1764 15.1764 15.5464 15.5464 16.8984 16.8984 17.7781 17.7781 k = 0.2867 0.5000 0.2867 ( 2154 PWs) bands (ev): -41.9640 -41.9640 -18.7672 -18.7672 -18.1494 -18.1494 -18.0702 -18.0702 11.8642 11.8642 12.1730 12.1730 12.7081 12.7081 12.7886 12.7886 13.1195 13.1195 13.6370 13.6370 15.1877 15.1877 15.5676 15.5676 16.8306 16.8306 17.7603 17.7603 k = 0.2800 0.5000 0.2800 ( 2162 PWs) bands (ev): -41.9653 -41.9653 -18.7649 -18.7649 -18.1480 -18.1480 -18.0648 -18.0648 11.8303 11.8303 12.1530 12.1530 12.7033 12.7033 12.7954 12.7954 13.1301 13.1301 13.6459 13.6459 15.1991 15.1991 15.5879 15.5879 16.7624 16.7624 17.7436 17.7436 k = 0.2733 0.5000 0.2733 ( 2162 PWs) bands (ev): -41.9666 -41.9666 -18.7626 -18.7626 -18.1465 -18.1465 -18.0594 -18.0594 11.7968 11.7968 12.1326 12.1326 12.6991 12.6991 12.8030 12.8030 13.1417 13.1417 13.6536 13.6536 15.2104 15.2104 15.6074 15.6074 16.6939 16.6939 17.7282 17.7282 k = 0.2667 0.5000 0.2667 ( 2162 PWs) bands (ev): -41.9678 -41.9678 -18.7604 -18.7604 -18.1450 -18.1450 -18.0539 -18.0539 11.7638 11.7638 12.1117 12.1117 12.6956 12.6956 12.8114 12.8114 13.1543 13.1543 13.6601 13.6601 15.2218 15.2218 15.6259 15.6259 16.6251 16.6251 17.7139 17.7139 k = 0.2600 0.5000 0.2600 ( 2166 PWs) bands (ev): -41.9691 -41.9691 -18.7582 -18.7582 -18.1435 -18.1435 -18.0484 -18.0484 11.7312 11.7312 12.0903 12.0903 12.6927 12.6927 12.8206 12.8206 13.1680 13.1680 13.6657 13.6657 15.2332 15.2332 15.6434 15.6434 16.5561 16.5561 17.7007 17.7007 k = 0.2533 0.5000 0.2533 ( 2166 PWs) bands (ev): -41.9704 -41.9704 -18.7560 -18.7560 -18.1420 -18.1420 -18.0428 -18.0428 11.6993 11.6993 12.0682 12.0682 12.6904 12.6904 12.8306 12.8306 13.1828 13.1828 13.6704 13.6704 15.2445 15.2445 15.6599 15.6599 16.4869 16.4869 17.6887 17.6887 k = 0.2467 0.5000 0.2467 ( 2166 PWs) bands (ev): -41.9717 -41.9717 -18.7539 -18.7539 -18.1404 -18.1404 -18.0373 -18.0373 11.6679 11.6679 12.0456 12.0456 12.6888 12.6888 12.8414 12.8414 13.1987 13.1987 13.6743 13.6743 15.2559 15.2559 15.6754 15.6754 16.4176 16.4176 17.6778 17.6778 k = 0.2400 0.5000 0.2400 ( 2166 PWs) bands (ev): -41.9730 -41.9730 -18.7519 -18.7519 -18.1388 -18.1388 -18.0318 -18.0318 11.6371 11.6371 12.0224 12.0224 12.6878 12.6878 12.8531 12.8531 13.2159 13.2159 13.6775 13.6775 15.2671 15.2671 15.6898 15.6898 16.3482 16.3482 17.6678 17.6678 k = 0.2333 0.5000 0.2333 ( 2154 PWs) bands (ev): -41.9743 -41.9743 -18.7498 -18.7498 -18.1372 -18.1372 -18.0262 -18.0262 11.6069 11.6069 11.9986 11.9986 12.6874 12.6874 12.8657 12.8657 13.2343 13.2343 13.6801 13.6801 15.2783 15.2783 15.7032 15.7032 16.2787 16.2787 17.6586 17.6586 k = 0.2267 0.5000 0.2267 ( 2158 PWs) bands (ev): -41.9756 -41.9756 -18.7479 -18.7479 -18.1355 -18.1355 -18.0207 -18.0207 11.5774 11.5774 11.9742 11.9742 12.6877 12.6877 12.8791 12.8791 13.2541 13.2541 13.6823 13.6823 15.2894 15.2894 15.7154 15.7154 16.2092 16.2092 17.6502 17.6502 k = 0.2200 0.5000 0.2200 ( 2158 PWs) bands (ev): -41.9768 -41.9768 -18.7460 -18.7460 -18.1338 -18.1338 -18.0152 -18.0152 11.5485 11.5485 11.9492 11.9492 12.6886 12.6886 12.8935 12.8935 13.2752 13.2752 13.6842 13.6842 15.3004 15.3004 15.7266 15.7266 16.1397 16.1397 17.6424 17.6424 k = 0.2133 0.5000 0.2133 ( 2158 PWs) bands (ev): -41.9781 -41.9781 -18.7441 -18.7441 -18.1321 -18.1321 -18.0098 -18.0098 11.5204 11.5204 11.9236 11.9236 12.6900 12.6900 12.9089 12.9089 13.2976 13.2976 13.6858 13.6858 15.3113 15.3113 15.7368 15.7368 16.0703 16.0703 17.6349 17.6349 k = 0.2067 0.5000 0.2067 ( 2142 PWs) bands (ev): -41.9793 -41.9793 -18.7424 -18.7424 -18.1304 -18.1304 -18.0044 -18.0044 11.4929 11.4929 11.8975 11.8975 12.6921 12.6921 12.9252 12.9252 13.3215 13.3215 13.6874 13.6874 15.3220 15.3220 15.7458 15.7458 16.0010 16.0010 17.6277 17.6277 k = 0.2000 0.5000 0.2000 ( 2142 PWs) bands (ev): -41.9806 -41.9806 -18.7407 -18.7407 -18.1287 -18.1287 -17.9991 -17.9991 11.4662 11.4662 11.8709 11.8709 12.6947 12.6947 12.9425 12.9425 13.3467 13.3467 13.6889 13.6889 15.3326 15.3326 15.7539 15.7539 15.9319 15.9319 17.6206 17.6206 k = 0.1933 0.5000 0.1933 ( 2146 PWs) bands (ev): -41.9818 -41.9818 -18.7390 -18.7390 -18.1270 -18.1270 -17.9938 -17.9938 11.4402 11.4402 11.8439 11.8439 12.6978 12.6978 12.9608 12.9608 13.3734 13.3734 13.6906 13.6906 15.3430 15.3430 15.7608 15.7608 15.8630 15.8630 17.6133 17.6133 k = 0.1867 0.5000 0.1867 ( 2150 PWs) bands (ev): -41.9830 -41.9830 -18.7374 -18.7374 -18.1253 -18.1253 -17.9886 -17.9886 11.4150 11.4150 11.8165 11.8165 12.7014 12.7014 12.9802 12.9802 13.4015 13.4015 13.6924 13.6924 15.3532 15.3532 15.7666 15.7666 15.7945 15.7945 17.6059 17.6059 k = 0.1800 0.5000 0.1800 ( 2146 PWs) bands (ev): -41.9842 -41.9842 -18.7359 -18.7359 -18.1235 -18.1235 -17.9835 -17.9835 11.3905 11.3905 11.7888 11.7888 12.7054 12.7054 13.0005 13.0005 13.4311 13.4311 13.6945 13.6945 15.3631 15.3631 15.7256 15.7256 15.7721 15.7721 17.5980 17.5980 k = 0.1733 0.5000 0.1733 ( 2142 PWs) bands (ev): -41.9853 -41.9853 -18.7345 -18.7345 -18.1218 -18.1218 -17.9785 -17.9785 11.3669 11.3669 11.7610 11.7610 12.7099 12.7099 13.0219 13.0219 13.4622 13.4622 13.6968 13.6968 15.3728 15.3728 15.6577 15.6577 15.7761 15.7761 17.5895 17.5895 k = 0.1667 0.5000 0.1667 ( 2142 PWs) bands (ev): -41.9864 -41.9864 -18.7331 -18.7331 -18.1201 -18.1201 -17.9737 -17.9737 11.3440 11.3440 11.7330 11.7330 12.7148 12.7148 13.0444 13.0444 13.4946 13.4946 13.6995 13.6995 15.3819 15.3819 15.5903 15.5903 15.7793 15.7793 17.5802 17.5802 k = 0.1600 0.5000 0.1600 ( 2142 PWs) bands (ev): -41.9875 -41.9875 -18.7318 -18.7318 -18.1184 -18.1184 -17.9689 -17.9689 11.3219 11.3219 11.7051 11.7051 12.7200 12.7200 13.0679 13.0679 13.5284 13.5284 13.7026 13.7026 15.3900 15.3900 15.5241 15.5241 15.7817 15.7817 17.5692 17.5692 k = 0.1533 0.5000 0.1533 ( 2146 PWs) bands (ev): -41.9886 -41.9886 -18.7306 -18.7306 -18.1167 -18.1167 -17.9642 -17.9642 11.3007 11.3007 11.6772 11.6772 12.7255 12.7255 13.0924 13.0924 13.5636 13.5636 13.7062 13.7062 15.3945 15.3945 15.4618 15.4618 15.7833 15.7833 17.5291 17.5292 k = 0.1467 0.5000 0.1467 ( 2154 PWs) bands (ev): -41.9896 -41.9896 -18.7295 -18.7295 -18.1151 -18.1151 -17.9597 -17.9597 11.2802 11.2802 11.6496 11.6496 12.7313 12.7313 13.1181 13.1181 13.6000 13.6000 13.7102 13.7102 15.3725 15.3725 15.4261 15.4261 15.7841 15.7841 17.4295 17.4295 k = 0.1400 0.5000 0.1400 ( 2146 PWs) bands (ev): -41.9906 -41.9906 -18.7284 -18.7284 -18.1135 -18.1135 -17.9553 -17.9553 11.2606 11.2606 11.6222 11.6222 12.7372 12.7372 13.1447 13.1447 13.6373 13.6373 13.7150 13.7150 15.3143 15.3143 15.4269 15.4269 15.7843 15.7843 17.3277 17.3277 k = 0.1333 0.5000 0.1333 ( 2142 PWs) bands (ev): -41.9916 -41.9916 -18.7274 -18.7274 -18.1119 -18.1119 -17.9511 -17.9511 11.2419 11.2419 11.5953 11.5953 12.7434 12.7434 13.1725 13.1725 13.6747 13.6747 13.7214 13.7214 15.2503 15.2503 15.4339 15.4339 15.7838 15.7838 17.2269 17.2269 k = 0.1267 0.5000 0.1267 ( 2146 PWs) bands (ev): -41.9925 -41.9925 -18.7264 -18.7264 -18.1103 -18.1103 -17.9470 -17.9470 11.2240 11.2240 11.5690 11.5690 12.7497 12.7497 13.2013 13.2013 13.7066 13.7066 13.7347 13.7347 15.1858 15.1858 15.4418 15.4418 15.7828 15.7828 17.1273 17.1273 k = 0.1200 0.5000 0.1200 ( 2146 PWs) bands (ev): -41.9934 -41.9934 -18.7255 -18.7255 -18.1088 -18.1088 -17.9431 -17.9431 11.2070 11.2070 11.5432 11.5432 12.7561 12.7561 13.2311 13.2311 13.7213 13.7213 13.7666 13.7666 15.1214 15.1214 15.4500 15.4500 15.7813 15.7813 17.0292 17.0292 k = 0.1133 0.5000 0.1133 ( 2148 PWs) bands (ev): -41.9943 -41.9943 -18.7247 -18.7247 -18.1074 -18.1074 -17.9394 -17.9394 11.1908 11.1908 11.5182 11.5182 12.7625 12.7625 13.2619 13.2619 13.7287 13.7287 13.8071 13.8071 15.0576 15.0576 15.4582 15.4582 15.7794 15.7794 16.9326 16.9326 k = 0.1067 0.5000 0.1067 ( 2148 PWs) bands (ev): -41.9951 -41.9951 -18.7239 -18.7239 -18.1060 -18.1060 -17.9358 -17.9358 11.1756 11.1756 11.4940 11.4940 12.7688 12.7688 13.2937 13.2937 13.7348 13.7348 13.8499 13.8499 14.9944 14.9944 15.4665 15.4665 15.7771 15.7771 16.8377 16.8377 k = 0.1000 0.5000 0.1000 ( 2148 PWs) bands (ev): -41.9958 -41.9958 -18.7232 -18.7232 -18.1046 -18.1046 -17.9324 -17.9324 11.1612 11.1612 11.4708 11.4708 12.7751 12.7751 13.3265 13.3265 13.7407 13.7407 13.8938 13.8938 14.9319 14.9319 15.4747 15.4747 15.7745 15.7745 16.7446 16.7446 k = 0.0933 0.5000 0.0933 ( 2148 PWs) bands (ev): -41.9966 -41.9966 -18.7226 -18.7226 -18.1034 -18.1034 -17.9292 -17.9292 11.1477 11.1477 11.4486 11.4486 12.7813 12.7813 13.3602 13.3602 13.7464 13.7464 13.9385 13.9385 14.8703 14.8703 15.4830 15.4830 15.7717 15.7717 16.6535 16.6535 k = 0.0867 0.5000 0.0867 ( 2150 PWs) bands (ev): -41.9972 -41.9972 -18.7220 -18.7220 -18.1022 -18.1022 -17.9262 -17.9262 11.1351 11.1351 11.4276 11.4276 12.7873 12.7873 13.3947 13.3947 13.7521 13.7521 13.9835 13.9835 14.8095 14.8095 15.4915 15.4915 15.7687 15.7687 16.5645 16.5645 k = 0.0800 0.5000 0.0800 ( 2146 PWs) bands (ev): -41.9979 -41.9979 -18.7214 -18.7214 -18.1010 -18.1010 -17.9234 -17.9234 11.1234 11.1234 11.4078 11.4078 12.7931 12.7931 13.4299 13.4299 13.7576 13.7576 14.0287 14.0287 14.7498 14.7498 15.5001 15.5001 15.7656 15.7656 16.4779 16.4779 k = 0.0733 0.5000 0.0733 ( 2146 PWs) bands (ev): -41.9985 -41.9985 -18.7210 -18.7210 -18.0999 -18.0999 -17.9208 -17.9208 11.1126 11.1126 11.3892 11.3892 12.7986 12.7986 13.4658 13.4658 13.7631 13.7631 14.0736 14.0736 14.6912 14.6912 15.5091 15.5091 15.7625 15.7625 16.3937 16.3937 k = 0.0667 0.5000 0.0667 ( 2146 PWs) bands (ev): -41.9990 -41.9990 -18.7205 -18.7205 -18.0990 -18.0990 -17.9184 -17.9184 11.1028 11.1028 11.3720 11.3720 12.8038 12.8038 13.5022 13.5022 13.7684 13.7684 14.1179 14.1179 14.6340 14.6340 15.5185 15.5185 15.7594 15.7594 16.3124 16.3124 k = 0.0600 0.5000 0.0600 ( 2134 PWs) bands (ev): -41.9995 -41.9995 -18.7201 -18.7201 -18.0981 -18.0981 -17.9162 -17.9162 11.0939 11.0939 11.3563 11.3563 12.8087 12.8087 13.5388 13.5388 13.7736 13.7736 14.1612 14.1612 14.5783 14.5783 15.5285 15.5285 15.7565 15.7565 16.2340 16.2340 k = 0.0533 0.5000 0.0533 ( 2134 PWs) bands (ev): -41.9999 -41.9999 -18.7198 -18.7198 -18.0972 -18.0972 -17.9143 -17.9143 11.0858 11.0858 11.3420 11.3420 12.8132 12.8132 13.5755 13.5755 13.7786 13.7786 14.2028 14.2028 14.5244 14.5244 15.5394 15.5394 15.7536 15.7536 16.1590 16.1590 k = 0.0467 0.5000 0.0467 ( 2130 PWs) bands (ev): -42.0003 -42.0003 -18.7195 -18.7195 -18.0965 -18.0965 -17.9125 -17.9125 11.0788 11.0788 11.3293 11.3293 12.8172 12.8172 13.6117 13.6117 13.7835 13.7835 14.2422 14.2422 14.4726 14.4726 15.5515 15.5515 15.7510 15.7510 16.0877 16.0877 k = 0.0400 0.5000 0.0400 ( 2122 PWs) bands (ev): -42.0007 -42.0007 -18.7192 -18.7192 -18.0959 -18.0959 -17.9110 -17.9110 11.0726 11.0726 11.3182 11.3182 12.8208 12.8208 13.6469 13.6469 13.7884 13.7884 14.2785 14.2785 14.4237 14.4237 15.5650 15.5650 15.7485 15.7485 16.0205 16.0205 k = 0.0333 0.5000 0.0333 ( 2126 PWs) bands (ev): -42.0010 -42.0010 -18.7190 -18.7190 -18.0953 -18.0953 -17.9097 -17.9097 11.0674 11.0674 11.3087 11.3087 12.8238 12.8238 13.6800 13.6800 13.7935 13.7935 14.3102 14.3102 14.3788 14.3788 15.5804 15.5804 15.7463 15.7463 15.9577 15.9577 k = 0.0267 0.5000 0.0267 ( 2126 PWs) bands (ev): -42.0012 -42.0012 -18.7188 -18.7188 -18.0949 -18.0949 -17.9087 -17.9087 11.0632 11.0632 11.3009 11.3009 12.8264 12.8264 13.7096 13.7096 13.7993 13.7993 14.3252 14.3252 14.3507 14.3507 15.5980 15.5980 15.7444 15.7444 15.8998 15.8998 k = 0.0200 0.5000 0.0200 ( 2120 PWs) bands (ev): -42.0014 -42.0014 -18.7187 -18.7187 -18.0945 -18.0945 -17.9079 -17.9079 11.0599 11.0599 11.2948 11.2948 12.8284 12.8284 13.7337 13.7337 13.8064 13.8064 14.2964 14.2964 14.3667 14.3667 15.6182 15.6182 15.7425 15.7425 15.8476 15.8476 k = 0.0133 0.5000 0.0133 ( 2120 PWs) bands (ev): -42.0015 -42.0015 -18.7186 -18.7186 -18.0943 -18.0943 -17.9073 -17.9073 11.0575 11.0575 11.2904 11.2904 12.8298 12.8298 13.7503 13.7503 13.8148 13.8148 14.2688 14.2688 14.3831 14.3831 15.6410 15.6410 15.7401 15.7401 15.8023 15.8023 k = 0.0067 0.5000 0.0067 ( 2104 PWs) bands (ev): -42.0016 -42.0016 -18.7185 -18.7185 -18.0941 -18.0941 -17.9069 -17.9069 11.0561 11.0561 11.2878 11.2878 12.8307 12.8307 13.7593 13.7593 13.8221 13.8221 14.2506 14.2506 14.3935 14.3935 15.6649 15.6649 15.7346 15.7346 15.7686 15.7686 k = 0.0000 0.5000-0.0000 ( 2104 PWs) bands (ev): -42.0016 -42.0016 -18.7185 -18.7185 -18.0941 -18.0941 -17.9068 -17.9068 11.0556 11.0556 11.2869 11.2869 12.8310 12.8310 13.7621 13.7621 13.8251 13.8251 14.2442 14.2442 14.3971 14.3971 15.6794 15.6794 15.7262 15.7262 15.7574 15.7574 k = 0.5000 0.5000-0.0000 ( 2160 PWs) bands (ev): -41.9712 -41.9712 -18.7702 -18.7702 -18.2003 -18.2003 -17.9561 -17.9561 10.6961 10.6961 11.2512 11.2512 12.7392 12.7392 12.7735 12.7735 14.9114 14.9114 15.3173 15.3173 15.7622 15.7622 15.7708 15.7708 16.5376 16.5376 17.9292 17.9292 k = 0.5000 0.5000 0.0094 ( 2160 PWs) bands (ev): -41.9712 -41.9712 -18.7702 -18.7702 -18.2002 -18.2002 -17.9563 -17.9563 10.6976 10.6976 11.2526 11.2526 12.7390 12.7390 12.7733 12.7733 14.9115 14.9115 15.3173 15.3173 15.7566 15.7566 15.7653 15.7653 16.5384 16.5384 17.9360 17.9360 k = 0.5000 0.5000 0.0189 ( 2160 PWs) bands (ev): -41.9711 -41.9711 -18.7703 -18.7703 -18.2002 -18.2002 -17.9569 -17.9569 10.7019 10.7019 11.2566 11.2566 12.7382 12.7382 12.7725 12.7725 14.9116 14.9116 15.3174 15.3174 15.7401 15.7401 15.7490 15.7490 16.5411 16.5411 17.9561 17.9563 k = 0.5000 0.5000 0.0283 ( 2164 PWs) bands (ev): -41.9710 -41.9710 -18.7704 -18.7704 -18.2000 -18.2000 -17.9580 -17.9580 10.7090 10.7090 11.2633 11.2633 12.7371 12.7371 12.7713 12.7713 14.9117 14.9117 15.3174 15.3174 15.7134 15.7134 15.7224 15.7224 16.5455 16.5455 17.9890 17.9890 k = 0.5000 0.5000 0.0377 ( 2164 PWs) bands (ev): -41.9708 -41.9708 -18.7706 -18.7706 -18.1999 -18.1999 -17.9595 -17.9595 10.7190 10.7190 11.2727 11.2727 12.7354 12.7354 12.7697 12.7697 14.9120 14.9120 15.3175 15.3175 15.6773 15.6773 15.6865 15.6865 16.5517 16.5517 18.0337 18.0337 k = 0.5000 0.5000 0.0472 ( 2156 PWs) bands (ev): -41.9706 -41.9706 -18.7708 -18.7708 -18.1996 -18.1996 -17.9613 -17.9613 10.7319 10.7319 11.2847 11.2847 12.7333 12.7333 12.7675 12.7675 14.9122 14.9122 15.3176 15.3176 15.6329 15.6329 15.6424 15.6424 16.5597 16.5597 18.0890 18.0890 k = 0.5000 0.5000 0.0566 ( 2164 PWs) bands (ev): -41.9703 -41.9703 -18.7711 -18.7711 -18.1994 -18.1994 -17.9636 -17.9636 10.7475 10.7475 11.2993 11.2993 12.7308 12.7308 12.7649 12.7649 14.9126 14.9126 15.3176 15.3176 15.5814 15.5814 15.5911 15.5911 16.5695 16.5695 18.1526 18.1526 k = 0.5000 0.5000 0.0660 ( 2164 PWs) bands (ev): -41.9699 -41.9699 -18.7714 -18.7714 -18.1990 -18.1990 -17.9663 -17.9663 10.7660 10.7660 11.3164 11.3164 12.7279 12.7279 12.7619 12.7619 14.9130 14.9130 15.3174 15.3174 15.5240 15.5240 15.5338 15.5338 16.5810 16.5810 18.2039 18.2039 k = 0.5000 0.5000 0.0755 ( 2164 PWs) bands (ev): -41.9695 -41.9695 -18.7717 -18.7717 -18.1987 -18.1987 -17.9694 -17.9694 10.7872 10.7872 11.3359 11.3359 12.7245 12.7245 12.7584 12.7584 14.9134 14.9134 15.3170 15.3170 15.4620 15.4620 15.4716 15.4716 16.5944 16.5944 18.2103 18.2103 k = 0.5000 0.5000 0.0849 ( 2164 PWs) bands (ev): -41.9691 -41.9691 -18.7721 -18.7721 -18.1983 -18.1983 -17.9728 -17.9728 10.8111 10.8111 11.3579 11.3579 12.7208 12.7208 12.7546 12.7546 14.9139 14.9139 15.3152 15.3152 15.3971 15.3971 15.4055 15.4055 16.6096 16.6096 18.2123 18.2123 k = 0.5000 0.5000 0.0943 ( 2164 PWs) bands (ev): -41.9686 -41.9686 -18.7726 -18.7726 -18.1978 -18.1978 -17.9766 -17.9766 10.8378 10.8378 11.3822 11.3822 12.7167 12.7167 12.7504 12.7504 14.9144 14.9144 15.3033 15.3033 15.3361 15.3361 15.3393 15.3393 16.6266 16.6266 18.2138 18.2138 k = 0.5000 0.5000 0.1038 ( 2156 PWs) bands (ev): -41.9680 -41.9680 -18.7731 -18.7731 -18.1973 -18.1973 -17.9807 -17.9807 10.8672 10.8672 11.4087 11.4087 12.7123 12.7123 12.7459 12.7459 14.9150 14.9150 15.2463 15.2463 15.2644 15.2644 15.3239 15.3239 16.6454 16.6454 18.2153 18.2153 k = 0.5000 0.5000 0.1132 ( 2160 PWs) bands (ev): -41.9675 -41.9675 -18.7736 -18.7736 -18.1968 -18.1968 -17.9851 -17.9851 10.8992 10.8992 11.4374 11.4374 12.7077 12.7077 12.7411 12.7411 14.9156 14.9156 15.1743 15.1743 15.1908 15.1908 15.3216 15.3216 16.6661 16.6661 18.2168 18.2168 k = 0.5000 0.5000 0.1226 ( 2160 PWs) bands (ev): -41.9668 -41.9668 -18.7743 -18.7743 -18.1962 -18.1962 -17.9899 -17.9899 10.9337 10.9337 11.4681 11.4681 12.7027 12.7027 12.7361 12.7361 14.9160 14.9160 15.0995 15.0995 15.1161 15.1161 15.3206 15.3206 16.6886 16.6886 18.2184 18.2185 k = 0.5000 0.5000 0.1321 ( 2152 PWs) bands (ev): -41.9662 -41.9662 -18.7749 -18.7749 -18.1956 -18.1956 -17.9949 -17.9949 10.9708 10.9708 11.5007 11.5007 12.6976 12.6976 12.7308 12.7308 14.9162 14.9162 15.0234 15.0234 15.0408 15.0408 15.3198 15.3198 16.7130 16.7130 18.2201 18.2201 k = 0.5000 0.5000 0.1415 ( 2152 PWs) bands (ev): -41.9655 -41.9655 -18.7757 -18.7757 -18.1950 -18.1950 -18.0001 -18.0001 11.0104 11.0104 11.5351 11.5351 12.6922 12.6922 12.7253 12.7253 14.9144 14.9144 14.9467 14.9467 14.9669 14.9669 15.3189 15.3189 16.7393 16.7393 18.2219 18.2219 k = 0.5000 0.5000 0.1509 ( 2156 PWs) bands (ev): -41.9647 -41.9647 -18.7764 -18.7764 -18.1943 -18.1943 -18.0056 -18.0056 11.0524 11.0524 11.5712 11.5712 12.6868 12.6868 12.7196 12.7196 14.8696 14.8696 14.8806 14.8806 14.9250 14.9250 15.3178 15.3178 16.7674 16.7674 18.2237 18.2237 k = 0.5000 0.5000 0.1604 ( 2164 PWs) bands (ev): -41.9640 -41.9640 -18.7773 -18.7773 -18.1936 -18.1936 -18.0113 -18.0113 11.0967 11.0967 11.6089 11.6089 12.6812 12.6812 12.7139 12.7139 14.7926 14.7926 14.8074 14.8074 14.9224 14.9224 15.3165 15.3165 16.7974 16.7974 18.2256 18.2256 k = 0.5000 0.5000 0.1698 ( 2164 PWs) bands (ev): -41.9632 -41.9632 -18.7782 -18.7782 -18.1929 -18.1929 -18.0172 -18.0172 11.1433 11.1433 11.6479 11.6479 12.6756 12.6756 12.7081 12.7081 14.7158 14.7158 14.7318 14.7318 14.9227 14.9227 15.3149 15.3149 16.8293 16.8293 18.2276 18.2276 k = 0.5000 0.5000 0.1792 ( 2164 PWs) bands (ev): -41.9623 -41.9623 -18.7791 -18.7791 -18.1921 -18.1921 -18.0232 -18.0232 11.1921 11.1921 11.6882 11.6882 12.6699 12.6699 12.7022 12.7022 14.6394 14.6394 14.6562 14.6562 14.9233 14.9233 15.3129 15.3129 16.8631 16.8631 18.2297 18.2297 k = 0.5000 0.5000 0.1887 ( 2152 PWs) bands (ev): -41.9615 -41.9615 -18.7801 -18.7801 -18.1913 -18.1913 -18.0294 -18.0294 11.2431 11.2431 11.7297 11.7297 12.6643 12.6643 12.6964 12.6964 14.5637 14.5637 14.5811 14.5811 14.9242 14.9242 15.3105 15.3105 16.8988 16.8988 18.2318 18.2318 k = 0.5000 0.5000 0.1981 ( 2152 PWs) bands (ev): -41.9606 -41.9606 -18.7812 -18.7812 -18.1905 -18.1905 -18.0357 -18.0357 11.2960 11.2960 11.7721 11.7721 12.6588 12.6588 12.6907 12.6907 14.4888 14.4888 14.5068 14.5068 14.9252 14.9252 15.3077 15.3077 16.9363 16.9363 18.2339 18.2339 k = 0.5000 0.5000 0.2075 ( 2160 PWs) bands (ev): -41.9597 -41.9597 -18.7823 -18.7823 -18.1897 -18.1897 -18.0421 -18.0421 11.3509 11.3509 11.8152 11.8152 12.6534 12.6534 12.6851 12.6851 14.4148 14.4148 14.4333 14.4333 14.9262 14.9262 15.3043 15.3043 16.9756 16.9756 18.2361 18.2361 k = 0.5000 0.5000 0.2170 ( 2160 PWs) bands (ev): -41.9588 -41.9588 -18.7835 -18.7835 -18.1889 -18.1889 -18.0485 -18.0485 11.4077 11.4077 11.8590 11.8590 12.6482 12.6482 12.6797 12.6797 14.3419 14.3419 14.3608 14.3608 14.9272 14.9272 15.3004 15.3004 17.0167 17.0167 18.2383 18.2383 k = 0.5000 0.5000 0.2264 ( 2160 PWs) bands (ev): -41.9579 -41.9579 -18.7847 -18.7847 -18.1881 -18.1881 -18.0550 -18.0550 11.4661 11.4661 11.9033 11.9033 12.6432 12.6432 12.6744 12.6744 14.2701 14.2701 14.2895 14.2895 14.9283 14.9283 15.2958 15.2958 17.0596 17.0596 18.2406 18.2406 k = 0.5000 0.5000 0.2358 ( 2160 PWs) bands (ev): -41.9570 -41.9570 -18.7860 -18.7860 -18.1872 -18.1872 -18.0615 -18.0615 11.5261 11.5261 11.9479 11.9479 12.6384 12.6384 12.6695 12.6695 14.1995 14.1995 14.2194 14.2194 14.9294 14.9294 15.2906 15.2906 17.1043 17.1043 18.2429 18.2429 k = 0.5000 0.5000 0.2453 ( 2168 PWs) bands (ev): -41.9561 -41.9561 -18.7873 -18.7873 -18.1864 -18.1864 -18.0679 -18.0679 11.5877 11.5877 11.9926 11.9926 12.6340 12.6340 12.6649 12.6649 14.1302 14.1302 14.1505 14.1505 14.9305 14.9305 15.2847 15.2847 17.1505 17.1505 18.2452 18.2452 k = 0.5000 0.5000 0.2547 ( 2168 PWs) bands (ev): -41.9551 -41.9551 -18.7887 -18.7887 -18.1855 -18.1855 -18.0743 -18.0743 11.6505 11.6505 12.0372 12.0372 12.6300 12.6300 12.6607 12.6607 14.0623 14.0623 14.0831 14.0831 14.9316 14.9316 15.2780 15.2780 17.1983 17.1983 18.2475 18.2475 k = 0.5000 0.5000 0.2642 ( 2152 PWs) bands (ev): -41.9542 -41.9542 -18.7901 -18.7901 -18.1847 -18.1847 -18.0807 -18.0807 11.7145 11.7145 12.0817 12.0817 12.6264 12.6264 12.6568 12.6568 13.9958 13.9958 14.0170 14.0170 14.9327 14.9327 15.2706 15.2706 17.2476 17.2476 18.2498 18.2498 k = 0.5000 0.5000 0.2736 ( 2152 PWs) bands (ev): -41.9533 -41.9533 -18.7916 -18.7916 -18.1838 -18.1838 -18.0870 -18.0870 11.7796 11.7796 12.1258 12.1258 12.6233 12.6233 12.6535 12.6535 13.9308 13.9308 13.9524 13.9524 14.9338 14.9338 15.2623 15.2623 17.2983 17.2983 18.2520 18.2520 k = 0.5000 0.5000 0.2830 ( 2156 PWs) bands (ev): -41.9524 -41.9524 -18.7930 -18.7930 -18.1830 -18.1830 -18.0931 -18.0931 11.8455 11.8455 12.1693 12.1693 12.6208 12.6208 12.6507 12.6507 13.8673 13.8673 13.8894 13.8894 14.9349 14.9349 15.2531 15.2531 17.3502 17.3502 18.2543 18.2543 k = 0.5000 0.5000 0.2925 ( 2152 PWs) bands (ev): -41.9515 -41.9515 -18.7945 -18.7945 -18.1822 -18.1822 -18.0992 -18.0992 11.9121 11.9121 12.2121 12.2121 12.6188 12.6188 12.6484 12.6484 13.8055 13.8055 13.8280 13.8280 14.9360 14.9360 15.2430 15.2430 17.4032 17.4032 18.2565 18.2565 k = 0.5000 0.5000 0.3019 ( 2152 PWs) bands (ev): -41.9506 -41.9506 -18.7960 -18.7960 -18.1814 -18.1814 -18.1051 -18.1051 11.9791 11.9791 12.2541 12.2541 12.6174 12.6174 12.6468 12.6468 13.7453 13.7453 13.7682 13.7682 14.9371 14.9371 15.2321 15.2321 17.4571 17.4571 18.2587 18.2587 k = 0.5000 0.5000 0.3113 ( 2152 PWs) bands (ev): -41.9497 -41.9497 -18.7976 -18.7976 -18.1806 -18.1806 -18.1108 -18.1108 12.0465 12.0465 12.2951 12.2951 12.6167 12.6167 12.6459 12.6459 13.6867 13.6867 13.7100 13.7100 14.9382 14.9382 15.2202 15.2202 17.5117 17.5117 18.2609 18.2609 k = 0.5000 0.5000 0.3208 ( 2160 PWs) bands (ev): -41.9489 -41.9489 -18.7991 -18.7991 -18.1798 -18.1798 -18.1163 -18.1163 12.1138 12.1138 12.3349 12.3349 12.6167 12.6167 12.6456 12.6456 13.6299 13.6299 13.6535 13.6535 14.9392 14.9392 15.2074 15.2074 17.5668 17.5668 18.2630 18.2630 k = 0.5000 0.5000 0.3302 ( 2160 PWs) bands (ev): -41.9480 -41.9480 -18.8006 -18.8006 -18.1790 -18.1790 -18.1217 -18.1217 12.1810 12.1810 12.3735 12.3735 12.6175 12.6175 12.6461 12.6461 13.5748 13.5748 13.5988 13.5988 14.9402 14.9402 15.1937 15.1937 17.6222 17.6222 18.2650 18.2650 k = 0.5000 0.5000 0.3396 ( 2160 PWs) bands (ev): -41.9472 -41.9472 -18.8021 -18.8021 -18.1783 -18.1783 -18.1268 -18.1268 12.2477 12.2477 12.4106 12.4106 12.6192 12.6192 12.6474 12.6474 13.5214 13.5214 13.5459 13.5459 14.9412 14.9412 15.1792 15.1792 17.6776 17.6776 18.2670 18.2670 k = 0.5000 0.5000 0.3491 ( 2160 PWs) bands (ev): -41.9465 -41.9465 -18.8036 -18.8036 -18.1776 -18.1776 -18.1317 -18.1317 12.3136 12.3136 12.4462 12.4462 12.6217 12.6217 12.6496 12.6496 13.4699 13.4699 13.4947 13.4947 14.9421 14.9421 15.1638 15.1638 17.7327 17.7327 18.2689 18.2689 k = 0.5000 0.5000 0.3585 ( 2176 PWs) bands (ev): -41.9457 -41.9457 -18.8050 -18.8050 -18.1769 -18.1769 -18.1364 -18.1364 12.3784 12.3784 12.4800 12.4800 12.6252 12.6252 12.6526 12.6526 13.4202 13.4202 13.4454 13.4454 14.9430 14.9430 15.1478 15.1478 17.7873 17.7873 18.2708 18.2708 k = 0.5000 0.5000 0.3679 ( 2168 PWs) bands (ev): -41.9450 -41.9450 -18.8065 -18.8065 -18.1763 -18.1763 -18.1408 -18.1408 12.4416 12.4416 12.5121 12.5121 12.6299 12.6299 12.6566 12.6566 13.3724 13.3724 13.3979 13.3979 14.9439 14.9439 15.1311 15.1311 17.8409 17.8409 18.2725 18.2725 k = 0.5000 0.5000 0.3774 ( 2168 PWs) bands (ev): -41.9444 -41.9444 -18.8078 -18.8078 -18.1756 -18.1756 -18.1449 -18.1449 12.5026 12.5026 12.5422 12.5422 12.6359 12.6359 12.6616 12.6616 13.3265 13.3265 13.3524 13.3524 14.9447 14.9447 15.1139 15.1139 17.8932 17.8932 18.2742 18.2742 k = 0.5000 0.5000 0.3868 ( 2184 PWs) bands (ev): -41.9437 -41.9437 -18.8091 -18.8091 -18.1751 -18.1751 -18.1488 -18.1488 12.5601 12.5601 12.5703 12.5703 12.6443 12.6443 12.6675 12.6675 13.2826 13.2826 13.3088 13.3088 14.9455 14.9455 15.0963 15.0963 17.9438 17.9438 18.2757 18.2757 k = 0.5000 0.5000 0.3962 ( 2184 PWs) bands (ev): -41.9431 -41.9431 -18.8104 -18.8104 -18.1745 -18.1745 -18.1523 -18.1523 12.5962 12.5962 12.6097 12.6097 12.6591 12.6591 12.6745 12.6745 13.2407 13.2407 13.2672 13.2672 14.9462 14.9462 15.0786 15.0786 17.9924 17.9924 18.2772 18.2772 k = 0.5000 0.5000 0.4057 ( 2192 PWs) bands (ev): -41.9426 -41.9426 -18.8116 -18.8116 -18.1740 -18.1740 -18.1556 -18.1556 12.6198 12.6198 12.6392 12.6392 12.6827 12.6827 12.6920 12.6920 13.2008 13.2008 13.2277 13.2277 14.9469 14.9469 15.0609 15.0609 18.0386 18.0386 18.2785 18.2785 k = 0.5000 0.5000 0.4151 ( 2200 PWs) bands (ev): -41.9421 -41.9421 -18.8126 -18.8126 -18.1736 -18.1736 -18.1586 -18.1586 12.6409 12.6409 12.6537 12.6537 12.6919 12.6919 12.7375 12.7375 13.1632 13.1632 13.1903 13.1903 14.9475 14.9475 15.0435 15.0435 18.0819 18.0819 18.2798 18.2798 k = 0.5000 0.5000 0.4245 ( 2200 PWs) bands (ev): -41.9417 -41.9417 -18.8136 -18.8136 -18.1732 -18.1732 -18.1613 -18.1613 12.6594 12.6594 12.6650 12.6650 12.7022 12.7022 12.7831 12.7831 13.1278 13.1278 13.1552 13.1552 14.9480 14.9480 15.0267 15.0267 18.1219 18.1219 18.2809 18.2809 k = 0.5000 0.5000 0.4340 ( 2192 PWs) bands (ev): -41.9413 -41.9413 -18.8145 -18.8145 -18.1728 -18.1728 -18.1637 -18.1637 12.6756 12.6756 12.6758 12.6758 12.7132 12.7132 12.8257 12.8257 13.0950 13.0950 13.1226 13.1226 14.9485 14.9485 15.0108 15.0108 18.1584 18.1584 18.2819 18.2819 k = 0.5000 0.5000 0.4434 ( 2192 PWs) bands (ev): -41.9409 -41.9409 -18.8153 -18.8153 -18.1725 -18.1725 -18.1658 -18.1658 12.6866 12.6866 12.6896 12.6896 12.7246 12.7246 12.8638 12.8638 13.0650 13.0650 13.0925 13.0925 14.9490 14.9490 14.9961 14.9961 18.1908 18.1908 18.2827 18.2827 k = 0.5000 0.5000 0.4528 ( 2184 PWs) bands (ev): -41.9406 -41.9406 -18.8160 -18.8160 -18.1722 -18.1722 -18.1676 -18.1676 12.6973 12.6973 12.7016 12.7016 12.7356 12.7356 12.8967 12.8967 13.0383 13.0383 13.0655 13.0655 14.9493 14.9493 14.9829 14.9829 18.2190 18.2190 18.2835 18.2835 k = 0.5000 0.5000 0.4623 ( 2176 PWs) bands (ev): -41.9404 -41.9404 -18.8166 -18.8166 -18.1720 -18.1720 -18.1690 -18.1690 12.7077 12.7077 12.7119 12.7119 12.7458 12.7458 12.9233 12.9233 13.0159 13.0159 13.0418 13.0418 14.9496 14.9496 14.9716 14.9716 18.2424 18.2424 18.2841 18.2841 k = 0.5000 0.5000 0.4717 ( 2176 PWs) bands (ev): -41.9402 -41.9402 -18.8170 -18.8170 -18.1718 -18.1718 -18.1701 -18.1701 12.7172 12.7172 12.7204 12.7204 12.7546 12.7546 12.9418 12.9418 12.9996 12.9996 13.0221 13.0221 14.9499 14.9499 14.9625 14.9625 18.2610 18.2610 18.2846 18.2846 k = 0.5000 0.5000 0.4811 ( 2176 PWs) bands (ev): -41.9400 -41.9400 -18.8173 -18.8173 -18.1717 -18.1717 -18.1709 -18.1709 12.7249 12.7249 12.7267 12.7267 12.7615 12.7615 12.9497 12.9497 12.9926 12.9926 13.0071 13.0071 14.9500 14.9500 14.9557 14.9557 18.2744 18.2744 18.2849 18.2849 k = 0.5000 0.5000 0.4906 ( 2176 PWs) bands (ev): -41.9399 -41.9399 -18.8175 -18.8175 -18.1716 -18.1716 -18.1714 -18.1714 12.7301 12.7301 12.7306 12.7306 12.7660 12.7660 12.9492 12.9492 12.9932 12.9932 12.9976 12.9976 14.9501 14.9501 14.9516 14.9516 18.2825 18.2825 18.2851 18.2851 k = 0.5000 0.5000 0.5000 ( 2176 PWs) bands (ev): -41.9399 -41.9399 -18.8176 -18.8176 -18.1716 -18.1716 -18.1716 -18.1716 12.7319 12.7319 12.7319 12.7319 12.7675 12.7675 12.9480 12.9480 12.9944 12.9944 12.9944 12.9944 14.9502 14.9502 14.9502 14.9502 18.2852 18.2852 18.2852 18.2852 Writing output data file TiFe.save init_run : 0.09s CPU 0.24s WALL ( 1 calls) electrons : 71.93s CPU 73.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 71.93s CPU 73.73s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 407 calls) cegterg : 68.11s CPU 69.52s WALL ( 576 calls) Called by sum_band: Called by *egterg: h_psi : 33.40s CPU 34.16s WALL ( 10059 calls) s_psi : 1.08s CPU 1.12s WALL ( 10059 calls) g_psi : 0.14s CPU 0.12s WALL ( 9076 calls) cdiaghg : 29.75s CPU 30.40s WALL ( 9483 calls) cegterg:over : 2.39s CPU 2.49s WALL ( 9076 calls) cegterg:upda : 1.77s CPU 1.82s WALL ( 9076 calls) cegterg:last : 1.01s CPU 1.10s WALL ( 2025 calls) cdiaghg:chol : 1.62s CPU 1.51s WALL ( 9483 calls) cdiaghg:inve : 0.57s CPU 0.57s WALL ( 9483 calls) cdiaghg:para : 1.91s CPU 1.92s WALL ( 18966 calls) Called by h_psi: h_psi:vloc : 29.64s CPU 30.30s WALL ( 10059 calls) h_psi:vnl : 3.69s CPU 3.80s WALL ( 10059 calls) add_vuspsi : 2.13s CPU 2.23s WALL ( 10059 calls) General routines calbec : 1.53s CPU 1.55s WALL ( 10059 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 28.24s CPU 28.79s WALL ( 696636 calls) davcio : 0.09s CPU 0.10s WALL ( 814 calls) Parallel routines fft_scatter : 14.37s CPU 14.50s WALL ( 696651 calls) PWSCF : 1m20.54s CPU 1m32.64s WALL This run was terminated on: 18:15:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=