Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:11:13 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: ./TiRu.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 23 7 521 521 87 Max 24 24 8 526 526 90 Sum 861 861 261 18853 18853 3191 bravais-lattice index = 14 lattice parameter (alat) = 5.7958 a.u. unit-cell volume = 194.6874 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 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)= 5.795790 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 Ru read from file: /users/gautes/Pseudo/Ru.rel-pbe-oncvpsp.UPF MD5 check sum: 58833c0d2965a9b0fe5de673113ce18e Pseudo is Norm-conserving, Zval = 16.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1584 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for 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 Ru 16.00 101.07000 Ru( 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= 397 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 2) = ( 0.0000000 0.0096154 -0.0000000), wk = 0.0025189 k( 3) = ( 0.0000000 0.0192308 -0.0000000), wk = 0.0025189 k( 4) = ( 0.0000000 0.0288462 -0.0000000), wk = 0.0025189 k( 5) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0025189 k( 6) = ( 0.0000000 0.0480769 -0.0000000), wk = 0.0025189 k( 7) = ( 0.0000000 0.0576923 -0.0000000), wk = 0.0025189 k( 8) = ( 0.0000000 0.0673077 -0.0000000), wk = 0.0025189 k( 9) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0025189 k( 10) = ( 0.0000000 0.0865385 -0.0000000), wk = 0.0025189 k( 11) = ( 0.0000000 0.0961538 -0.0000000), wk = 0.0025189 k( 12) = ( 0.0000000 0.1057692 -0.0000000), wk = 0.0025189 k( 13) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0025189 k( 14) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0025189 k( 15) = ( 0.0000000 0.1346154 -0.0000000), wk = 0.0025189 k( 16) = ( 0.0000000 0.1442308 -0.0000000), wk = 0.0025189 k( 17) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0025189 k( 18) = ( 0.0000000 0.1634615 -0.0000000), wk = 0.0025189 k( 19) = ( 0.0000000 0.1730769 -0.0000000), wk = 0.0025189 k( 20) = ( 0.0000000 0.1826923 -0.0000000), wk = 0.0025189 k( 21) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0025189 k( 22) = ( 0.0000000 0.2019231 -0.0000000), wk = 0.0025189 k( 23) = ( 0.0000000 0.2115385 -0.0000000), wk = 0.0025189 k( 24) = ( 0.0000000 0.2211539 -0.0000000), wk = 0.0025189 k( 25) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0025189 k( 26) = ( 0.0000000 0.2403846 -0.0000000), wk = 0.0025189 k( 27) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025189 k( 28) = ( 0.0000000 0.2596154 -0.0000000), wk = 0.0025189 k( 29) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0025189 k( 30) = ( 0.0000000 0.2788462 -0.0000000), wk = 0.0025189 k( 31) = ( 0.0000000 0.2884615 -0.0000000), wk = 0.0025189 k( 32) = ( 0.0000000 0.2980769 -0.0000000), wk = 0.0025189 k( 33) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0025189 k( 34) = ( 0.0000000 0.3173077 -0.0000000), wk = 0.0025189 k( 35) = ( 0.0000000 0.3269231 -0.0000000), wk = 0.0025189 k( 36) = ( 0.0000000 0.3365385 -0.0000000), wk = 0.0025189 k( 37) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0025189 k( 38) = ( 0.0000000 0.3557692 -0.0000000), wk = 0.0025189 k( 39) = ( 0.0000000 0.3653846 -0.0000000), wk = 0.0025189 k( 40) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0025189 k( 41) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0025189 k( 42) = ( 0.0000000 0.3942308 -0.0000000), wk = 0.0025189 k( 43) = ( 0.0000000 0.4038462 -0.0000000), wk = 0.0025189 k( 44) = ( 0.0000000 0.4134615 -0.0000000), wk = 0.0025189 k( 45) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0025189 k( 46) = ( 0.0000000 0.4326923 -0.0000000), wk = 0.0025189 k( 47) = ( 0.0000000 0.4423077 -0.0000000), wk = 0.0025189 k( 48) = ( 0.0000000 0.4519231 -0.0000000), wk = 0.0025189 k( 49) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0025189 k( 50) = ( 0.0000000 0.4711538 -0.0000000), wk = 0.0025189 k( 51) = ( 0.0000000 0.4807692 -0.0000000), wk = 0.0025189 k( 52) = ( 0.0000000 0.4903846 -0.0000000), wk = 0.0025189 k( 53) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025189 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025189 k( 55) = ( 0.0096154 0.5000000 -0.0000000), wk = 0.0025189 k( 56) = ( 0.0192308 0.5000000 -0.0000000), wk = 0.0025189 k( 57) = ( 0.0288462 0.5000000 -0.0000000), wk = 0.0025189 k( 58) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0025189 k( 59) = ( 0.0480769 0.5000000 -0.0000000), wk = 0.0025189 k( 60) = ( 0.0576923 0.5000000 -0.0000000), wk = 0.0025189 k( 61) = ( 0.0673077 0.5000000 -0.0000000), wk = 0.0025189 k( 62) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0025189 k( 63) = ( 0.0865385 0.5000000 -0.0000000), wk = 0.0025189 k( 64) = ( 0.0961538 0.5000000 -0.0000000), wk = 0.0025189 k( 65) = ( 0.1057692 0.5000000 -0.0000000), wk = 0.0025189 k( 66) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0025189 k( 67) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0025189 k( 68) = ( 0.1346154 0.5000000 -0.0000000), wk = 0.0025189 k( 69) = ( 0.1442308 0.5000000 -0.0000000), wk = 0.0025189 k( 70) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0025189 k( 71) = ( 0.1634615 0.5000000 -0.0000000), wk = 0.0025189 k( 72) = ( 0.1730769 0.5000000 -0.0000000), wk = 0.0025189 k( 73) = ( 0.1826923 0.5000000 -0.0000000), wk = 0.0025189 k( 74) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0025189 k( 75) = ( 0.2019231 0.5000000 -0.0000000), wk = 0.0025189 k( 76) = ( 0.2115385 0.5000000 -0.0000000), wk = 0.0025189 k( 77) = ( 0.2211539 0.5000000 -0.0000000), wk = 0.0025189 k( 78) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0025189 k( 79) = ( 0.2403846 0.5000000 -0.0000000), wk = 0.0025189 k( 80) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025189 k( 81) = ( 0.2596154 0.5000000 -0.0000000), wk = 0.0025189 k( 82) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0025189 k( 83) = ( 0.2788462 0.5000000 -0.0000000), wk = 0.0025189 k( 84) = ( 0.2884615 0.5000000 -0.0000000), wk = 0.0025189 k( 85) = ( 0.2980769 0.5000000 -0.0000000), wk = 0.0025189 k( 86) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0025189 k( 87) = ( 0.3173077 0.5000000 -0.0000000), wk = 0.0025189 k( 88) = ( 0.3269231 0.5000000 -0.0000000), wk = 0.0025189 k( 89) = ( 0.3365385 0.5000000 -0.0000000), wk = 0.0025189 k( 90) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0025189 k( 91) = ( 0.3557692 0.5000000 -0.0000000), wk = 0.0025189 k( 92) = ( 0.3653846 0.5000000 -0.0000000), wk = 0.0025189 k( 93) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0025189 k( 94) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0025189 k( 95) = ( 0.3942308 0.5000000 -0.0000000), wk = 0.0025189 k( 96) = ( 0.4038462 0.5000000 -0.0000000), wk = 0.0025189 k( 97) = ( 0.4134615 0.5000000 -0.0000000), wk = 0.0025189 k( 98) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0025189 k( 99) = ( 0.4326923 0.5000000 -0.0000000), wk = 0.0025189 k( 100) = ( 0.4423077 0.5000000 -0.0000000), wk = 0.0025189 k( 101) = ( 0.4519231 0.5000000 -0.0000000), wk = 0.0025189 k( 102) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0025189 k( 103) = ( 0.4711538 0.5000000 -0.0000000), wk = 0.0025189 k( 104) = ( 0.4807692 0.5000000 -0.0000000), wk = 0.0025189 k( 105) = ( 0.4903846 0.5000000 -0.0000000), wk = 0.0025189 k( 106) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 107) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 108) = ( 0.4931507 0.4931507 -0.0000000), wk = 0.0025189 k( 109) = ( 0.4863014 0.4863014 -0.0000000), wk = 0.0025189 k( 110) = ( 0.4794521 0.4794520 -0.0000000), wk = 0.0025189 k( 111) = ( 0.4726027 0.4726027 -0.0000000), wk = 0.0025189 k( 112) = ( 0.4657534 0.4657534 -0.0000000), wk = 0.0025189 k( 113) = ( 0.4589041 0.4589041 -0.0000000), wk = 0.0025189 k( 114) = ( 0.4520548 0.4520548 -0.0000000), wk = 0.0025189 k( 115) = ( 0.4452055 0.4452055 -0.0000000), wk = 0.0025189 k( 116) = ( 0.4383562 0.4383562 -0.0000000), wk = 0.0025189 k( 117) = ( 0.4315068 0.4315068 -0.0000000), wk = 0.0025189 k( 118) = ( 0.4246575 0.4246575 -0.0000000), wk = 0.0025189 k( 119) = ( 0.4178082 0.4178082 -0.0000000), wk = 0.0025189 k( 120) = ( 0.4109589 0.4109589 -0.0000000), wk = 0.0025189 k( 121) = ( 0.4041096 0.4041096 -0.0000000), wk = 0.0025189 k( 122) = ( 0.3972603 0.3972603 -0.0000000), wk = 0.0025189 k( 123) = ( 0.3904110 0.3904110 -0.0000000), wk = 0.0025189 k( 124) = ( 0.3835616 0.3835616 -0.0000000), wk = 0.0025189 k( 125) = ( 0.3767123 0.3767123 -0.0000000), wk = 0.0025189 k( 126) = ( 0.3698630 0.3698630 -0.0000000), wk = 0.0025189 k( 127) = ( 0.3630137 0.3630137 -0.0000000), wk = 0.0025189 k( 128) = ( 0.3561644 0.3561644 -0.0000000), wk = 0.0025189 k( 129) = ( 0.3493151 0.3493151 -0.0000000), wk = 0.0025189 k( 130) = ( 0.3424658 0.3424657 -0.0000000), wk = 0.0025189 k( 131) = ( 0.3356164 0.3356164 -0.0000000), wk = 0.0025189 k( 132) = ( 0.3287671 0.3287671 -0.0000000), wk = 0.0025189 k( 133) = ( 0.3219178 0.3219178 -0.0000000), wk = 0.0025189 k( 134) = ( 0.3150685 0.3150685 -0.0000000), wk = 0.0025189 k( 135) = ( 0.3082192 0.3082192 -0.0000000), wk = 0.0025189 k( 136) = ( 0.3013699 0.3013699 -0.0000000), wk = 0.0025189 k( 137) = ( 0.2945205 0.2945205 -0.0000000), wk = 0.0025189 k( 138) = ( 0.2876712 0.2876712 -0.0000000), wk = 0.0025189 k( 139) = ( 0.2808219 0.2808219 -0.0000000), wk = 0.0025189 k( 140) = ( 0.2739726 0.2739726 -0.0000000), wk = 0.0025189 k( 141) = ( 0.2671233 0.2671233 -0.0000000), wk = 0.0025189 k( 142) = ( 0.2602740 0.2602740 -0.0000000), wk = 0.0025189 k( 143) = ( 0.2534247 0.2534247 -0.0000000), wk = 0.0025189 k( 144) = ( 0.2465753 0.2465753 -0.0000000), wk = 0.0025189 k( 145) = ( 0.2397260 0.2397260 -0.0000000), wk = 0.0025189 k( 146) = ( 0.2328767 0.2328767 -0.0000000), wk = 0.0025189 k( 147) = ( 0.2260274 0.2260274 -0.0000000), wk = 0.0025189 k( 148) = ( 0.2191781 0.2191781 -0.0000000), wk = 0.0025189 k( 149) = ( 0.2123288 0.2123288 -0.0000000), wk = 0.0025189 k( 150) = ( 0.2054795 0.2054794 -0.0000000), wk = 0.0025189 k( 151) = ( 0.1986301 0.1986301 -0.0000000), wk = 0.0025189 k( 152) = ( 0.1917808 0.1917808 -0.0000000), wk = 0.0025189 k( 153) = ( 0.1849315 0.1849315 -0.0000000), wk = 0.0025189 k( 154) = ( 0.1780822 0.1780822 -0.0000000), wk = 0.0025189 k( 155) = ( 0.1712329 0.1712329 -0.0000000), wk = 0.0025189 k( 156) = ( 0.1643836 0.1643836 -0.0000000), wk = 0.0025189 k( 157) = ( 0.1575342 0.1575342 -0.0000000), wk = 0.0025189 k( 158) = ( 0.1506849 0.1506849 -0.0000000), wk = 0.0025189 k( 159) = ( 0.1438356 0.1438356 -0.0000000), wk = 0.0025189 k( 160) = ( 0.1369863 0.1369863 -0.0000000), wk = 0.0025189 k( 161) = ( 0.1301370 0.1301370 -0.0000000), wk = 0.0025189 k( 162) = ( 0.1232877 0.1232877 -0.0000000), wk = 0.0025189 k( 163) = ( 0.1164384 0.1164384 -0.0000000), wk = 0.0025189 k( 164) = ( 0.1095890 0.1095890 -0.0000000), wk = 0.0025189 k( 165) = ( 0.1027397 0.1027397 -0.0000000), wk = 0.0025189 k( 166) = ( 0.0958904 0.0958904 -0.0000000), wk = 0.0025189 k( 167) = ( 0.0890411 0.0890411 -0.0000000), wk = 0.0025189 k( 168) = ( 0.0821918 0.0821918 -0.0000000), wk = 0.0025189 k( 169) = ( 0.0753425 0.0753425 -0.0000000), wk = 0.0025189 k( 170) = ( 0.0684932 0.0684932 -0.0000000), wk = 0.0025189 k( 171) = ( 0.0616438 0.0616438 -0.0000000), wk = 0.0025189 k( 172) = ( 0.0547945 0.0547945 -0.0000000), wk = 0.0025189 k( 173) = ( 0.0479452 0.0479452 -0.0000000), wk = 0.0025189 k( 174) = ( 0.0410959 0.0410959 -0.0000000), wk = 0.0025189 k( 175) = ( 0.0342466 0.0342466 -0.0000000), wk = 0.0025189 k( 176) = ( 0.0273973 0.0273973 -0.0000000), wk = 0.0025189 k( 177) = ( 0.0205479 0.0205479 -0.0000000), wk = 0.0025189 k( 178) = ( 0.0136986 0.0136986 -0.0000000), wk = 0.0025189 k( 179) = ( 0.0068493 0.0068493 -0.0000000), wk = 0.0025189 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 182) = ( 0.0056180 0.0056180 0.0056180), wk = 0.0025189 k( 183) = ( 0.0112360 0.0112360 0.0112360), wk = 0.0025189 k( 184) = ( 0.0168539 0.0168539 0.0168539), wk = 0.0025189 k( 185) = ( 0.0224719 0.0224719 0.0224719), wk = 0.0025189 k( 186) = ( 0.0280899 0.0280899 0.0280899), wk = 0.0025189 k( 187) = ( 0.0337079 0.0337079 0.0337079), wk = 0.0025189 k( 188) = ( 0.0393258 0.0393258 0.0393258), wk = 0.0025189 k( 189) = ( 0.0449438 0.0449438 0.0449438), wk = 0.0025189 k( 190) = ( 0.0505618 0.0505618 0.0505618), wk = 0.0025189 k( 191) = ( 0.0561798 0.0561798 0.0561798), wk = 0.0025189 k( 192) = ( 0.0617977 0.0617977 0.0617977), wk = 0.0025189 k( 193) = ( 0.0674157 0.0674157 0.0674157), wk = 0.0025189 k( 194) = ( 0.0730337 0.0730337 0.0730337), wk = 0.0025189 k( 195) = ( 0.0786517 0.0786517 0.0786517), wk = 0.0025189 k( 196) = ( 0.0842697 0.0842697 0.0842697), wk = 0.0025189 k( 197) = ( 0.0898876 0.0898876 0.0898876), wk = 0.0025189 k( 198) = ( 0.0955056 0.0955056 0.0955056), wk = 0.0025189 k( 199) = ( 0.1011236 0.1011236 0.1011236), wk = 0.0025189 k( 200) = ( 0.1067416 0.1067416 0.1067416), wk = 0.0025189 k( 201) = ( 0.1123596 0.1123595 0.1123595), wk = 0.0025189 k( 202) = ( 0.1179775 0.1179775 0.1179775), wk = 0.0025189 k( 203) = ( 0.1235955 0.1235955 0.1235955), wk = 0.0025189 k( 204) = ( 0.1292135 0.1292135 0.1292135), wk = 0.0025189 k( 205) = ( 0.1348315 0.1348315 0.1348315), wk = 0.0025189 k( 206) = ( 0.1404494 0.1404494 0.1404494), wk = 0.0025189 k( 207) = ( 0.1460674 0.1460674 0.1460674), wk = 0.0025189 k( 208) = ( 0.1516854 0.1516854 0.1516854), wk = 0.0025189 k( 209) = ( 0.1573034 0.1573034 0.1573034), wk = 0.0025189 k( 210) = ( 0.1629213 0.1629213 0.1629213), wk = 0.0025189 k( 211) = ( 0.1685393 0.1685393 0.1685393), wk = 0.0025189 k( 212) = ( 0.1741573 0.1741573 0.1741573), wk = 0.0025189 k( 213) = ( 0.1797753 0.1797753 0.1797753), wk = 0.0025189 k( 214) = ( 0.1853933 0.1853933 0.1853933), wk = 0.0025189 k( 215) = ( 0.1910112 0.1910112 0.1910112), wk = 0.0025189 k( 216) = ( 0.1966292 0.1966292 0.1966292), wk = 0.0025189 k( 217) = ( 0.2022472 0.2022472 0.2022472), wk = 0.0025189 k( 218) = ( 0.2078652 0.2078652 0.2078652), wk = 0.0025189 k( 219) = ( 0.2134832 0.2134831 0.2134831), wk = 0.0025189 k( 220) = ( 0.2191011 0.2191011 0.2191011), wk = 0.0025189 k( 221) = ( 0.2247191 0.2247191 0.2247191), wk = 0.0025189 k( 222) = ( 0.2303371 0.2303371 0.2303371), wk = 0.0025189 k( 223) = ( 0.2359551 0.2359551 0.2359551), wk = 0.0025189 k( 224) = ( 0.2415730 0.2415730 0.2415730), wk = 0.0025189 k( 225) = ( 0.2471910 0.2471910 0.2471910), wk = 0.0025189 k( 226) = ( 0.2528090 0.2528090 0.2528090), wk = 0.0025189 k( 227) = ( 0.2584270 0.2584270 0.2584270), wk = 0.0025189 k( 228) = ( 0.2640449 0.2640449 0.2640449), wk = 0.0025189 k( 229) = ( 0.2696629 0.2696629 0.2696629), wk = 0.0025189 k( 230) = ( 0.2752809 0.2752809 0.2752809), wk = 0.0025189 k( 231) = ( 0.2808989 0.2808989 0.2808989), wk = 0.0025189 k( 232) = ( 0.2865168 0.2865168 0.2865168), wk = 0.0025189 k( 233) = ( 0.2921348 0.2921348 0.2921348), wk = 0.0025189 k( 234) = ( 0.2977528 0.2977528 0.2977528), wk = 0.0025189 k( 235) = ( 0.3033708 0.3033708 0.3033708), wk = 0.0025189 k( 236) = ( 0.3089888 0.3089888 0.3089888), wk = 0.0025189 k( 237) = ( 0.3146067 0.3146067 0.3146067), wk = 0.0025189 k( 238) = ( 0.3202247 0.3202247 0.3202247), wk = 0.0025189 k( 239) = ( 0.3258427 0.3258427 0.3258427), wk = 0.0025189 k( 240) = ( 0.3314607 0.3314607 0.3314607), wk = 0.0025189 k( 241) = ( 0.3370786 0.3370786 0.3370786), wk = 0.0025189 k( 242) = ( 0.3426966 0.3426966 0.3426966), wk = 0.0025189 k( 243) = ( 0.3483146 0.3483146 0.3483146), wk = 0.0025189 k( 244) = ( 0.3539326 0.3539326 0.3539326), wk = 0.0025189 k( 245) = ( 0.3595506 0.3595506 0.3595506), wk = 0.0025189 k( 246) = ( 0.3651685 0.3651685 0.3651685), wk = 0.0025189 k( 247) = ( 0.3707865 0.3707865 0.3707865), wk = 0.0025189 k( 248) = ( 0.3764045 0.3764045 0.3764045), wk = 0.0025189 k( 249) = ( 0.3820225 0.3820225 0.3820225), wk = 0.0025189 k( 250) = ( 0.3876405 0.3876404 0.3876404), wk = 0.0025189 k( 251) = ( 0.3932584 0.3932584 0.3932584), wk = 0.0025189 k( 252) = ( 0.3988764 0.3988764 0.3988764), wk = 0.0025189 k( 253) = ( 0.4044944 0.4044944 0.4044944), wk = 0.0025189 k( 254) = ( 0.4101124 0.4101124 0.4101124), wk = 0.0025189 k( 255) = ( 0.4157303 0.4157303 0.4157303), wk = 0.0025189 k( 256) = ( 0.4213483 0.4213483 0.4213483), wk = 0.0025189 k( 257) = ( 0.4269663 0.4269663 0.4269663), wk = 0.0025189 k( 258) = ( 0.4325843 0.4325843 0.4325843), wk = 0.0025189 k( 259) = ( 0.4382023 0.4382022 0.4382022), wk = 0.0025189 k( 260) = ( 0.4438202 0.4438202 0.4438202), wk = 0.0025189 k( 261) = ( 0.4494382 0.4494382 0.4494382), wk = 0.0025189 k( 262) = ( 0.4550562 0.4550562 0.4550562), wk = 0.0025189 k( 263) = ( 0.4606742 0.4606742 0.4606742), wk = 0.0025189 k( 264) = ( 0.4662921 0.4662921 0.4662921), wk = 0.0025189 k( 265) = ( 0.4719101 0.4719101 0.4719101), wk = 0.0025189 k( 266) = ( 0.4775281 0.4775281 0.4775281), wk = 0.0025189 k( 267) = ( 0.4831461 0.4831461 0.4831461), wk = 0.0025189 k( 268) = ( 0.4887640 0.4887640 0.4887640), wk = 0.0025189 k( 269) = ( 0.4943820 0.4943820 0.4943820), wk = 0.0025189 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025189 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025189 k( 272) = ( 0.4931507 0.5000000 0.4931507), wk = 0.0025189 k( 273) = ( 0.4863014 0.5000000 0.4863014), wk = 0.0025189 k( 274) = ( 0.4794521 0.5000000 0.4794520), wk = 0.0025189 k( 275) = ( 0.4726027 0.5000000 0.4726027), wk = 0.0025189 k( 276) = ( 0.4657534 0.5000000 0.4657534), wk = 0.0025189 k( 277) = ( 0.4589041 0.5000000 0.4589041), wk = 0.0025189 k( 278) = ( 0.4520548 0.5000000 0.4520548), wk = 0.0025189 k( 279) = ( 0.4452055 0.5000000 0.4452055), wk = 0.0025189 k( 280) = ( 0.4383562 0.5000000 0.4383562), wk = 0.0025189 k( 281) = ( 0.4315068 0.5000000 0.4315068), wk = 0.0025189 k( 282) = ( 0.4246575 0.5000000 0.4246575), wk = 0.0025189 k( 283) = ( 0.4178082 0.5000000 0.4178082), wk = 0.0025189 k( 284) = ( 0.4109589 0.5000000 0.4109589), wk = 0.0025189 k( 285) = ( 0.4041096 0.5000000 0.4041096), wk = 0.0025189 k( 286) = ( 0.3972603 0.5000000 0.3972603), wk = 0.0025189 k( 287) = ( 0.3904110 0.5000000 0.3904110), wk = 0.0025189 k( 288) = ( 0.3835616 0.5000000 0.3835616), wk = 0.0025189 k( 289) = ( 0.3767123 0.5000000 0.3767123), wk = 0.0025189 k( 290) = ( 0.3698630 0.5000000 0.3698630), wk = 0.0025189 k( 291) = ( 0.3630137 0.5000000 0.3630137), wk = 0.0025189 k( 292) = ( 0.3561644 0.5000000 0.3561644), wk = 0.0025189 k( 293) = ( 0.3493151 0.5000000 0.3493151), wk = 0.0025189 k( 294) = ( 0.3424658 0.5000000 0.3424657), wk = 0.0025189 k( 295) = ( 0.3356164 0.5000000 0.3356164), wk = 0.0025189 k( 296) = ( 0.3287671 0.5000000 0.3287671), wk = 0.0025189 k( 297) = ( 0.3219178 0.5000000 0.3219178), wk = 0.0025189 k( 298) = ( 0.3150685 0.5000000 0.3150685), wk = 0.0025189 k( 299) = ( 0.3082192 0.5000000 0.3082192), wk = 0.0025189 k( 300) = ( 0.3013699 0.5000000 0.3013699), wk = 0.0025189 k( 301) = ( 0.2945205 0.5000000 0.2945205), wk = 0.0025189 k( 302) = ( 0.2876712 0.5000000 0.2876712), wk = 0.0025189 k( 303) = ( 0.2808219 0.5000000 0.2808219), wk = 0.0025189 k( 304) = ( 0.2739726 0.5000000 0.2739726), wk = 0.0025189 k( 305) = ( 0.2671233 0.5000000 0.2671233), wk = 0.0025189 k( 306) = ( 0.2602740 0.5000000 0.2602740), wk = 0.0025189 k( 307) = ( 0.2534247 0.5000000 0.2534247), wk = 0.0025189 k( 308) = ( 0.2465753 0.5000000 0.2465753), wk = 0.0025189 k( 309) = ( 0.2397260 0.5000000 0.2397260), wk = 0.0025189 k( 310) = ( 0.2328767 0.5000000 0.2328767), wk = 0.0025189 k( 311) = ( 0.2260274 0.5000000 0.2260274), wk = 0.0025189 k( 312) = ( 0.2191781 0.5000000 0.2191781), wk = 0.0025189 k( 313) = ( 0.2123288 0.5000000 0.2123288), wk = 0.0025189 k( 314) = ( 0.2054795 0.5000000 0.2054794), wk = 0.0025189 k( 315) = ( 0.1986301 0.5000000 0.1986301), wk = 0.0025189 k( 316) = ( 0.1917808 0.5000000 0.1917808), wk = 0.0025189 k( 317) = ( 0.1849315 0.5000000 0.1849315), wk = 0.0025189 k( 318) = ( 0.1780822 0.5000000 0.1780822), wk = 0.0025189 k( 319) = ( 0.1712329 0.5000000 0.1712329), wk = 0.0025189 k( 320) = ( 0.1643836 0.5000000 0.1643836), wk = 0.0025189 k( 321) = ( 0.1575342 0.5000000 0.1575342), wk = 0.0025189 k( 322) = ( 0.1506849 0.5000000 0.1506849), wk = 0.0025189 k( 323) = ( 0.1438356 0.5000000 0.1438356), wk = 0.0025189 k( 324) = ( 0.1369863 0.5000000 0.1369863), wk = 0.0025189 k( 325) = ( 0.1301370 0.5000000 0.1301370), wk = 0.0025189 k( 326) = ( 0.1232877 0.5000000 0.1232877), wk = 0.0025189 k( 327) = ( 0.1164384 0.5000000 0.1164384), wk = 0.0025189 k( 328) = ( 0.1095890 0.5000000 0.1095890), wk = 0.0025189 k( 329) = ( 0.1027397 0.5000000 0.1027397), wk = 0.0025189 k( 330) = ( 0.0958904 0.5000000 0.0958904), wk = 0.0025189 k( 331) = ( 0.0890411 0.5000000 0.0890411), wk = 0.0025189 k( 332) = ( 0.0821918 0.5000000 0.0821918), wk = 0.0025189 k( 333) = ( 0.0753425 0.5000000 0.0753425), wk = 0.0025189 k( 334) = ( 0.0684932 0.5000000 0.0684931), wk = 0.0025189 k( 335) = ( 0.0616438 0.5000000 0.0616438), wk = 0.0025189 k( 336) = ( 0.0547945 0.5000000 0.0547945), wk = 0.0025189 k( 337) = ( 0.0479452 0.5000000 0.0479452), wk = 0.0025189 k( 338) = ( 0.0410959 0.5000000 0.0410959), wk = 0.0025189 k( 339) = ( 0.0342466 0.5000000 0.0342466), wk = 0.0025189 k( 340) = ( 0.0273973 0.5000000 0.0273973), wk = 0.0025189 k( 341) = ( 0.0205479 0.5000000 0.0205479), wk = 0.0025189 k( 342) = ( 0.0136986 0.5000000 0.0136986), wk = 0.0025189 k( 343) = ( 0.0068493 0.5000000 0.0068493), wk = 0.0025189 k( 344) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025189 k( 345) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 346) = ( 0.5000000 0.5000000 0.0096154), wk = 0.0025189 k( 347) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0025189 k( 348) = ( 0.5000000 0.5000000 0.0288461), wk = 0.0025189 k( 349) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0025189 k( 350) = ( 0.5000000 0.5000000 0.0480769), wk = 0.0025189 k( 351) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0025189 k( 352) = ( 0.5000000 0.5000000 0.0673077), wk = 0.0025189 k( 353) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0025189 k( 354) = ( 0.5000000 0.5000000 0.0865385), wk = 0.0025189 k( 355) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0025189 k( 356) = ( 0.5000000 0.5000000 0.1057692), wk = 0.0025189 k( 357) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0025189 k( 358) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0025189 k( 359) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0025189 k( 360) = ( 0.5000000 0.5000000 0.1442308), wk = 0.0025189 k( 361) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0025189 k( 362) = ( 0.5000000 0.5000000 0.1634615), wk = 0.0025189 k( 363) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0025189 k( 364) = ( 0.5000000 0.5000000 0.1826923), wk = 0.0025189 k( 365) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0025189 k( 366) = ( 0.5000000 0.5000000 0.2019231), wk = 0.0025189 k( 367) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0025189 k( 368) = ( 0.5000000 0.5000000 0.2211538), wk = 0.0025189 k( 369) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0025189 k( 370) = ( 0.5000000 0.5000000 0.2403846), wk = 0.0025189 k( 371) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025189 k( 372) = ( 0.5000000 0.5000000 0.2596154), wk = 0.0025189 k( 373) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0025189 k( 374) = ( 0.5000000 0.5000000 0.2788461), wk = 0.0025189 k( 375) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0025189 k( 376) = ( 0.5000000 0.5000000 0.2980769), wk = 0.0025189 k( 377) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0025189 k( 378) = ( 0.5000000 0.5000000 0.3173077), wk = 0.0025189 k( 379) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0025189 k( 380) = ( 0.5000000 0.5000000 0.3365385), wk = 0.0025189 k( 381) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0025189 k( 382) = ( 0.5000000 0.5000000 0.3557692), wk = 0.0025189 k( 383) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0025189 k( 384) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0025189 k( 385) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0025189 k( 386) = ( 0.5000000 0.5000000 0.3942308), wk = 0.0025189 k( 387) = ( 0.5000000 0.5000000 0.4038461), wk = 0.0025189 k( 388) = ( 0.5000000 0.5000000 0.4134615), wk = 0.0025189 k( 389) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0025189 k( 390) = ( 0.5000000 0.5000000 0.4326923), wk = 0.0025189 k( 391) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0025189 k( 392) = ( 0.5000000 0.5000000 0.4519231), wk = 0.0025189 k( 393) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0025189 k( 394) = ( 0.5000000 0.5000000 0.4711538), wk = 0.0025189 k( 395) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0025189 k( 396) = ( 0.5000000 0.5000000 0.4903846), wk = 0.0025189 k( 397) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025189 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 2) = ( 0.0000000 0.0096154 0.0000000), wk = 0.0025189 k( 3) = ( 0.0000000 0.0192308 0.0000000), wk = 0.0025189 k( 4) = ( 0.0000000 0.0288462 0.0000000), wk = 0.0025189 k( 5) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0025189 k( 6) = ( 0.0000000 0.0480769 0.0000000), wk = 0.0025189 k( 7) = ( 0.0000000 0.0576923 0.0000000), wk = 0.0025189 k( 8) = ( 0.0000000 0.0673077 0.0000000), wk = 0.0025189 k( 9) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0025189 k( 10) = ( 0.0000000 0.0865385 0.0000000), wk = 0.0025189 k( 11) = ( 0.0000000 0.0961538 0.0000000), wk = 0.0025189 k( 12) = ( 0.0000000 0.1057692 0.0000000), wk = 0.0025189 k( 13) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0025189 k( 14) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0025189 k( 15) = ( 0.0000000 0.1346154 0.0000000), wk = 0.0025189 k( 16) = ( 0.0000000 0.1442308 0.0000000), wk = 0.0025189 k( 17) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0025189 k( 18) = ( 0.0000000 0.1634615 0.0000000), wk = 0.0025189 k( 19) = ( 0.0000000 0.1730769 0.0000000), wk = 0.0025189 k( 20) = ( 0.0000000 0.1826923 0.0000000), wk = 0.0025189 k( 21) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0025189 k( 22) = ( 0.0000000 0.2019231 0.0000000), wk = 0.0025189 k( 23) = ( 0.0000000 0.2115385 0.0000000), wk = 0.0025189 k( 24) = ( 0.0000000 0.2211539 0.0000000), wk = 0.0025189 k( 25) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0025189 k( 26) = ( 0.0000000 0.2403846 0.0000000), wk = 0.0025189 k( 27) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0025189 k( 28) = ( 0.0000000 0.2596154 0.0000000), wk = 0.0025189 k( 29) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0025189 k( 30) = ( 0.0000000 0.2788462 0.0000000), wk = 0.0025189 k( 31) = ( 0.0000000 0.2884615 0.0000000), wk = 0.0025189 k( 32) = ( 0.0000000 0.2980769 0.0000000), wk = 0.0025189 k( 33) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0025189 k( 34) = ( 0.0000000 0.3173077 0.0000000), wk = 0.0025189 k( 35) = ( 0.0000000 0.3269231 0.0000000), wk = 0.0025189 k( 36) = ( 0.0000000 0.3365385 0.0000000), wk = 0.0025189 k( 37) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0025189 k( 38) = ( 0.0000000 0.3557692 0.0000000), wk = 0.0025189 k( 39) = ( 0.0000000 0.3653846 0.0000000), wk = 0.0025189 k( 40) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0025189 k( 41) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0025189 k( 42) = ( 0.0000000 0.3942308 0.0000000), wk = 0.0025189 k( 43) = ( 0.0000000 0.4038462 0.0000000), wk = 0.0025189 k( 44) = ( 0.0000000 0.4134615 0.0000000), wk = 0.0025189 k( 45) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0025189 k( 46) = ( 0.0000000 0.4326923 0.0000000), wk = 0.0025189 k( 47) = ( 0.0000000 0.4423077 0.0000000), wk = 0.0025189 k( 48) = ( 0.0000000 0.4519231 0.0000000), wk = 0.0025189 k( 49) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0025189 k( 50) = ( 0.0000000 0.4711538 0.0000000), wk = 0.0025189 k( 51) = ( 0.0000000 0.4807692 0.0000000), wk = 0.0025189 k( 52) = ( 0.0000000 0.4903846 0.0000000), wk = 0.0025189 k( 53) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025189 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025189 k( 55) = ( 0.0096154 0.5000000 0.0000000), wk = 0.0025189 k( 56) = ( 0.0192308 0.5000000 0.0000000), wk = 0.0025189 k( 57) = ( 0.0288462 0.5000000 0.0000000), wk = 0.0025189 k( 58) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0025189 k( 59) = ( 0.0480769 0.5000000 0.0000000), wk = 0.0025189 k( 60) = ( 0.0576923 0.5000000 0.0000000), wk = 0.0025189 k( 61) = ( 0.0673077 0.5000000 0.0000000), wk = 0.0025189 k( 62) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0025189 k( 63) = ( 0.0865385 0.5000000 0.0000000), wk = 0.0025189 k( 64) = ( 0.0961538 0.5000000 0.0000000), wk = 0.0025189 k( 65) = ( 0.1057692 0.5000000 0.0000000), wk = 0.0025189 k( 66) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0025189 k( 67) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0025189 k( 68) = ( 0.1346154 0.5000000 0.0000000), wk = 0.0025189 k( 69) = ( 0.1442308 0.5000000 0.0000000), wk = 0.0025189 k( 70) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0025189 k( 71) = ( 0.1634615 0.5000000 0.0000000), wk = 0.0025189 k( 72) = ( 0.1730769 0.5000000 0.0000000), wk = 0.0025189 k( 73) = ( 0.1826923 0.5000000 0.0000000), wk = 0.0025189 k( 74) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0025189 k( 75) = ( 0.2019231 0.5000000 0.0000000), wk = 0.0025189 k( 76) = ( 0.2115385 0.5000000 0.0000000), wk = 0.0025189 k( 77) = ( 0.2211539 0.5000000 0.0000000), wk = 0.0025189 k( 78) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0025189 k( 79) = ( 0.2403846 0.5000000 0.0000000), wk = 0.0025189 k( 80) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0025189 k( 81) = ( 0.2596154 0.5000000 0.0000000), wk = 0.0025189 k( 82) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0025189 k( 83) = ( 0.2788462 0.5000000 0.0000000), wk = 0.0025189 k( 84) = ( 0.2884615 0.5000000 0.0000000), wk = 0.0025189 k( 85) = ( 0.2980769 0.5000000 0.0000000), wk = 0.0025189 k( 86) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0025189 k( 87) = ( 0.3173077 0.5000000 0.0000000), wk = 0.0025189 k( 88) = ( 0.3269231 0.5000000 0.0000000), wk = 0.0025189 k( 89) = ( 0.3365385 0.5000000 0.0000000), wk = 0.0025189 k( 90) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0025189 k( 91) = ( 0.3557692 0.5000000 -0.0000000), wk = 0.0025189 k( 92) = ( 0.3653846 0.5000000 0.0000000), wk = 0.0025189 k( 93) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0025189 k( 94) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0025189 k( 95) = ( 0.3942308 0.5000000 0.0000000), wk = 0.0025189 k( 96) = ( 0.4038462 0.5000000 0.0000000), wk = 0.0025189 k( 97) = ( 0.4134615 0.5000000 0.0000000), wk = 0.0025189 k( 98) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0025189 k( 99) = ( 0.4326923 0.5000000 0.0000000), wk = 0.0025189 k( 100) = ( 0.4423077 0.5000000 0.0000000), wk = 0.0025189 k( 101) = ( 0.4519231 0.5000000 0.0000000), wk = 0.0025189 k( 102) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0025189 k( 103) = ( 0.4711538 0.5000000 0.0000000), wk = 0.0025189 k( 104) = ( 0.4807692 0.5000000 0.0000000), wk = 0.0025189 k( 105) = ( 0.4903846 0.5000000 0.0000000), wk = 0.0025189 k( 106) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025189 k( 107) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025189 k( 108) = ( 0.4931507 0.4931507 0.0000000), wk = 0.0025189 k( 109) = ( 0.4863014 0.4863014 0.0000000), wk = 0.0025189 k( 110) = ( 0.4794521 0.4794521 0.0000000), wk = 0.0025189 k( 111) = ( 0.4726027 0.4726027 0.0000000), wk = 0.0025189 k( 112) = ( 0.4657534 0.4657534 0.0000000), wk = 0.0025189 k( 113) = ( 0.4589041 0.4589041 0.0000000), wk = 0.0025189 k( 114) = ( 0.4520548 0.4520548 0.0000000), wk = 0.0025189 k( 115) = ( 0.4452055 0.4452055 -0.0000000), wk = 0.0025189 k( 116) = ( 0.4383562 0.4383562 0.0000000), wk = 0.0025189 k( 117) = ( 0.4315068 0.4315068 0.0000000), wk = 0.0025189 k( 118) = ( 0.4246575 0.4246575 0.0000000), wk = 0.0025189 k( 119) = ( 0.4178082 0.4178082 -0.0000000), wk = 0.0025189 k( 120) = ( 0.4109589 0.4109589 0.0000000), wk = 0.0025189 k( 121) = ( 0.4041096 0.4041096 0.0000000), wk = 0.0025189 k( 122) = ( 0.3972603 0.3972603 0.0000000), wk = 0.0025189 k( 123) = ( 0.3904110 0.3904110 0.0000000), wk = 0.0025189 k( 124) = ( 0.3835616 0.3835616 0.0000000), wk = 0.0025189 k( 125) = ( 0.3767123 0.3767123 0.0000000), wk = 0.0025189 k( 126) = ( 0.3698630 0.3698630 -0.0000000), wk = 0.0025189 k( 127) = ( 0.3630137 0.3630137 0.0000000), wk = 0.0025189 k( 128) = ( 0.3561644 0.3561644 0.0000000), wk = 0.0025189 k( 129) = ( 0.3493151 0.3493151 0.0000000), wk = 0.0025189 k( 130) = ( 0.3424658 0.3424658 -0.0000000), wk = 0.0025189 k( 131) = ( 0.3356164 0.3356164 0.0000000), wk = 0.0025189 k( 132) = ( 0.3287671 0.3287671 0.0000000), wk = 0.0025189 k( 133) = ( 0.3219178 0.3219178 0.0000000), wk = 0.0025189 k( 134) = ( 0.3150685 0.3150685 0.0000000), wk = 0.0025189 k( 135) = ( 0.3082192 0.3082192 0.0000000), wk = 0.0025189 k( 136) = ( 0.3013699 0.3013699 0.0000000), wk = 0.0025189 k( 137) = ( 0.2945205 0.2945205 0.0000000), wk = 0.0025189 k( 138) = ( 0.2876712 0.2876712 0.0000000), wk = 0.0025189 k( 139) = ( 0.2808219 0.2808219 0.0000000), wk = 0.0025189 k( 140) = ( 0.2739726 0.2739726 0.0000000), wk = 0.0025189 k( 141) = ( 0.2671233 0.2671233 0.0000000), wk = 0.0025189 k( 142) = ( 0.2602740 0.2602740 0.0000000), wk = 0.0025189 k( 143) = ( 0.2534247 0.2534247 0.0000000), wk = 0.0025189 k( 144) = ( 0.2465753 0.2465753 0.0000000), wk = 0.0025189 k( 145) = ( 0.2397260 0.2397260 0.0000000), wk = 0.0025189 k( 146) = ( 0.2328767 0.2328767 0.0000000), wk = 0.0025189 k( 147) = ( 0.2260274 0.2260274 0.0000000), wk = 0.0025189 k( 148) = ( 0.2191781 0.2191781 0.0000000), wk = 0.0025189 k( 149) = ( 0.2123288 0.2123288 0.0000000), wk = 0.0025189 k( 150) = ( 0.2054795 0.2054795 0.0000000), wk = 0.0025189 k( 151) = ( 0.1986301 0.1986301 0.0000000), wk = 0.0025189 k( 152) = ( 0.1917808 0.1917808 0.0000000), wk = 0.0025189 k( 153) = ( 0.1849315 0.1849315 0.0000000), wk = 0.0025189 k( 154) = ( 0.1780822 0.1780822 0.0000000), wk = 0.0025189 k( 155) = ( 0.1712329 0.1712329 0.0000000), wk = 0.0025189 k( 156) = ( 0.1643836 0.1643836 0.0000000), wk = 0.0025189 k( 157) = ( 0.1575342 0.1575342 0.0000000), wk = 0.0025189 k( 158) = ( 0.1506849 0.1506849 0.0000000), wk = 0.0025189 k( 159) = ( 0.1438356 0.1438356 0.0000000), wk = 0.0025189 k( 160) = ( 0.1369863 0.1369863 0.0000000), wk = 0.0025189 k( 161) = ( 0.1301370 0.1301370 0.0000000), wk = 0.0025189 k( 162) = ( 0.1232877 0.1232877 0.0000000), wk = 0.0025189 k( 163) = ( 0.1164384 0.1164384 0.0000000), wk = 0.0025189 k( 164) = ( 0.1095890 0.1095890 0.0000000), wk = 0.0025189 k( 165) = ( 0.1027397 0.1027397 0.0000000), wk = 0.0025189 k( 166) = ( 0.0958904 0.0958904 0.0000000), wk = 0.0025189 k( 167) = ( 0.0890411 0.0890411 -0.0000000), wk = 0.0025189 k( 168) = ( 0.0821918 0.0821918 0.0000000), wk = 0.0025189 k( 169) = ( 0.0753425 0.0753425 0.0000000), wk = 0.0025189 k( 170) = ( 0.0684932 0.0684932 0.0000000), wk = 0.0025189 k( 171) = ( 0.0616438 0.0616438 0.0000000), wk = 0.0025189 k( 172) = ( 0.0547945 0.0547945 0.0000000), wk = 0.0025189 k( 173) = ( 0.0479452 0.0479452 0.0000000), wk = 0.0025189 k( 174) = ( 0.0410959 0.0410959 0.0000000), wk = 0.0025189 k( 175) = ( 0.0342466 0.0342466 0.0000000), wk = 0.0025189 k( 176) = ( 0.0273973 0.0273973 0.0000000), wk = 0.0025189 k( 177) = ( 0.0205479 0.0205479 0.0000000), wk = 0.0025189 k( 178) = ( 0.0136986 0.0136986 0.0000000), wk = 0.0025189 k( 179) = ( 0.0068493 0.0068493 0.0000000), wk = 0.0025189 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 182) = ( 0.0056180 0.0056180 0.0056180), wk = 0.0025189 k( 183) = ( 0.0112360 0.0112360 0.0112360), wk = 0.0025189 k( 184) = ( 0.0168539 0.0168539 0.0168539), wk = 0.0025189 k( 185) = ( 0.0224719 0.0224719 0.0224719), wk = 0.0025189 k( 186) = ( 0.0280899 0.0280899 0.0280899), wk = 0.0025189 k( 187) = ( 0.0337079 0.0337079 0.0337079), wk = 0.0025189 k( 188) = ( 0.0393258 0.0393258 0.0393258), wk = 0.0025189 k( 189) = ( 0.0449438 0.0449438 0.0449438), wk = 0.0025189 k( 190) = ( 0.0505618 0.0505618 0.0505618), wk = 0.0025189 k( 191) = ( 0.0561798 0.0561798 0.0561798), wk = 0.0025189 k( 192) = ( 0.0617977 0.0617977 0.0617977), wk = 0.0025189 k( 193) = ( 0.0674157 0.0674157 0.0674157), wk = 0.0025189 k( 194) = ( 0.0730337 0.0730337 0.0730337), wk = 0.0025189 k( 195) = ( 0.0786517 0.0786517 0.0786517), wk = 0.0025189 k( 196) = ( 0.0842697 0.0842697 0.0842697), wk = 0.0025189 k( 197) = ( 0.0898876 0.0898876 0.0898876), wk = 0.0025189 k( 198) = ( 0.0955056 0.0955056 0.0955056), wk = 0.0025189 k( 199) = ( 0.1011236 0.1011236 0.1011236), wk = 0.0025189 k( 200) = ( 0.1067416 0.1067416 0.1067416), wk = 0.0025189 k( 201) = ( 0.1123596 0.1123596 0.1123596), wk = 0.0025189 k( 202) = ( 0.1179775 0.1179775 0.1179775), wk = 0.0025189 k( 203) = ( 0.1235955 0.1235955 0.1235955), wk = 0.0025189 k( 204) = ( 0.1292135 0.1292135 0.1292135), wk = 0.0025189 k( 205) = ( 0.1348315 0.1348315 0.1348315), wk = 0.0025189 k( 206) = ( 0.1404494 0.1404494 0.1404494), wk = 0.0025189 k( 207) = ( 0.1460674 0.1460674 0.1460674), wk = 0.0025189 k( 208) = ( 0.1516854 0.1516854 0.1516854), wk = 0.0025189 k( 209) = ( 0.1573034 0.1573034 0.1573034), wk = 0.0025189 k( 210) = ( 0.1629213 0.1629213 0.1629213), wk = 0.0025189 k( 211) = ( 0.1685393 0.1685393 0.1685393), wk = 0.0025189 k( 212) = ( 0.1741573 0.1741573 0.1741573), wk = 0.0025189 k( 213) = ( 0.1797753 0.1797753 0.1797753), wk = 0.0025189 k( 214) = ( 0.1853933 0.1853933 0.1853933), wk = 0.0025189 k( 215) = ( 0.1910112 0.1910112 0.1910112), wk = 0.0025189 k( 216) = ( 0.1966292 0.1966292 0.1966292), wk = 0.0025189 k( 217) = ( 0.2022472 0.2022472 0.2022472), wk = 0.0025189 k( 218) = ( 0.2078652 0.2078652 0.2078652), wk = 0.0025189 k( 219) = ( 0.2134832 0.2134832 0.2134832), wk = 0.0025189 k( 220) = ( 0.2191011 0.2191011 0.2191011), wk = 0.0025189 k( 221) = ( 0.2247191 0.2247191 0.2247191), wk = 0.0025189 k( 222) = ( 0.2303371 0.2303371 0.2303371), wk = 0.0025189 k( 223) = ( 0.2359551 0.2359551 0.2359551), wk = 0.0025189 k( 224) = ( 0.2415730 0.2415730 0.2415730), wk = 0.0025189 k( 225) = ( 0.2471910 0.2471910 0.2471910), wk = 0.0025189 k( 226) = ( 0.2528090 0.2528090 0.2528090), wk = 0.0025189 k( 227) = ( 0.2584270 0.2584270 0.2584270), wk = 0.0025189 k( 228) = ( 0.2640449 0.2640449 0.2640449), wk = 0.0025189 k( 229) = ( 0.2696629 0.2696629 0.2696629), wk = 0.0025189 k( 230) = ( 0.2752809 0.2752809 0.2752809), wk = 0.0025189 k( 231) = ( 0.2808989 0.2808989 0.2808989), wk = 0.0025189 k( 232) = ( 0.2865168 0.2865168 0.2865168), wk = 0.0025189 k( 233) = ( 0.2921348 0.2921348 0.2921348), wk = 0.0025189 k( 234) = ( 0.2977528 0.2977528 0.2977528), wk = 0.0025189 k( 235) = ( 0.3033708 0.3033708 0.3033708), wk = 0.0025189 k( 236) = ( 0.3089888 0.3089888 0.3089888), wk = 0.0025189 k( 237) = ( 0.3146067 0.3146067 0.3146067), wk = 0.0025189 k( 238) = ( 0.3202247 0.3202247 0.3202247), wk = 0.0025189 k( 239) = ( 0.3258427 0.3258427 0.3258427), wk = 0.0025189 k( 240) = ( 0.3314607 0.3314607 0.3314607), wk = 0.0025189 k( 241) = ( 0.3370786 0.3370786 0.3370786), wk = 0.0025189 k( 242) = ( 0.3426966 0.3426966 0.3426966), wk = 0.0025189 k( 243) = ( 0.3483146 0.3483146 0.3483146), wk = 0.0025189 k( 244) = ( 0.3539326 0.3539326 0.3539326), wk = 0.0025189 k( 245) = ( 0.3595506 0.3595506 0.3595506), wk = 0.0025189 k( 246) = ( 0.3651685 0.3651685 0.3651685), wk = 0.0025189 k( 247) = ( 0.3707865 0.3707865 0.3707865), wk = 0.0025189 k( 248) = ( 0.3764045 0.3764045 0.3764045), wk = 0.0025189 k( 249) = ( 0.3820225 0.3820225 0.3820225), wk = 0.0025189 k( 250) = ( 0.3876405 0.3876405 0.3876405), wk = 0.0025189 k( 251) = ( 0.3932584 0.3932584 0.3932584), wk = 0.0025189 k( 252) = ( 0.3988764 0.3988764 0.3988764), wk = 0.0025189 k( 253) = ( 0.4044944 0.4044944 0.4044944), wk = 0.0025189 k( 254) = ( 0.4101124 0.4101124 0.4101124), wk = 0.0025189 k( 255) = ( 0.4157303 0.4157303 0.4157303), wk = 0.0025189 k( 256) = ( 0.4213483 0.4213483 0.4213483), wk = 0.0025189 k( 257) = ( 0.4269663 0.4269663 0.4269663), wk = 0.0025189 k( 258) = ( 0.4325843 0.4325843 0.4325843), wk = 0.0025189 k( 259) = ( 0.4382023 0.4382023 0.4382023), wk = 0.0025189 k( 260) = ( 0.4438202 0.4438202 0.4438202), wk = 0.0025189 k( 261) = ( 0.4494382 0.4494382 0.4494382), wk = 0.0025189 k( 262) = ( 0.4550562 0.4550562 0.4550562), wk = 0.0025189 k( 263) = ( 0.4606742 0.4606742 0.4606742), wk = 0.0025189 k( 264) = ( 0.4662921 0.4662921 0.4662921), wk = 0.0025189 k( 265) = ( 0.4719101 0.4719101 0.4719101), wk = 0.0025189 k( 266) = ( 0.4775281 0.4775281 0.4775281), wk = 0.0025189 k( 267) = ( 0.4831461 0.4831461 0.4831461), wk = 0.0025189 k( 268) = ( 0.4887640 0.4887640 0.4887640), wk = 0.0025189 k( 269) = ( 0.4943820 0.4943820 0.4943820), wk = 0.0025189 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025189 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025189 k( 272) = ( 0.4931507 0.5000000 0.4931507), wk = 0.0025189 k( 273) = ( 0.4863014 0.5000000 0.4863014), wk = 0.0025189 k( 274) = ( 0.4794521 0.5000000 0.4794521), wk = 0.0025189 k( 275) = ( 0.4726027 0.5000000 0.4726027), wk = 0.0025189 k( 276) = ( 0.4657534 0.5000000 0.4657534), wk = 0.0025189 k( 277) = ( 0.4589041 0.5000000 0.4589041), wk = 0.0025189 k( 278) = ( 0.4520548 0.5000000 0.4520548), wk = 0.0025189 k( 279) = ( 0.4452055 0.5000000 0.4452055), wk = 0.0025189 k( 280) = ( 0.4383562 0.5000000 0.4383562), wk = 0.0025189 k( 281) = ( 0.4315068 0.5000000 0.4315068), wk = 0.0025189 k( 282) = ( 0.4246575 0.5000000 0.4246575), wk = 0.0025189 k( 283) = ( 0.4178082 0.5000000 0.4178082), wk = 0.0025189 k( 284) = ( 0.4109589 0.5000000 0.4109589), wk = 0.0025189 k( 285) = ( 0.4041096 0.5000000 0.4041096), wk = 0.0025189 k( 286) = ( 0.3972603 0.5000000 0.3972603), wk = 0.0025189 k( 287) = ( 0.3904110 0.5000000 0.3904110), wk = 0.0025189 k( 288) = ( 0.3835616 0.5000000 0.3835616), wk = 0.0025189 k( 289) = ( 0.3767123 0.5000000 0.3767123), wk = 0.0025189 k( 290) = ( 0.3698630 0.5000000 0.3698630), wk = 0.0025189 k( 291) = ( 0.3630137 0.5000000 0.3630137), wk = 0.0025189 k( 292) = ( 0.3561644 0.5000000 0.3561644), wk = 0.0025189 k( 293) = ( 0.3493151 0.5000000 0.3493151), wk = 0.0025189 k( 294) = ( 0.3424658 0.5000000 0.3424658), wk = 0.0025189 k( 295) = ( 0.3356164 0.5000000 0.3356164), wk = 0.0025189 k( 296) = ( 0.3287671 0.5000000 0.3287671), wk = 0.0025189 k( 297) = ( 0.3219178 0.5000000 0.3219178), wk = 0.0025189 k( 298) = ( 0.3150685 0.5000000 0.3150685), wk = 0.0025189 k( 299) = ( 0.3082192 0.5000000 0.3082192), wk = 0.0025189 k( 300) = ( 0.3013699 0.5000000 0.3013699), wk = 0.0025189 k( 301) = ( 0.2945205 0.5000000 0.2945205), wk = 0.0025189 k( 302) = ( 0.2876712 0.5000000 0.2876712), wk = 0.0025189 k( 303) = ( 0.2808219 0.5000000 0.2808219), wk = 0.0025189 k( 304) = ( 0.2739726 0.5000000 0.2739726), wk = 0.0025189 k( 305) = ( 0.2671233 0.5000000 0.2671233), wk = 0.0025189 k( 306) = ( 0.2602740 0.5000000 0.2602740), wk = 0.0025189 k( 307) = ( 0.2534247 0.5000000 0.2534247), wk = 0.0025189 k( 308) = ( 0.2465753 0.5000000 0.2465753), wk = 0.0025189 k( 309) = ( 0.2397260 0.5000000 0.2397260), wk = 0.0025189 k( 310) = ( 0.2328767 0.5000000 0.2328767), wk = 0.0025189 k( 311) = ( 0.2260274 0.5000000 0.2260274), wk = 0.0025189 k( 312) = ( 0.2191781 0.5000000 0.2191781), wk = 0.0025189 k( 313) = ( 0.2123288 0.5000000 0.2123288), wk = 0.0025189 k( 314) = ( 0.2054795 0.5000000 0.2054795), wk = 0.0025189 k( 315) = ( 0.1986301 0.5000000 0.1986301), wk = 0.0025189 k( 316) = ( 0.1917808 0.5000000 0.1917808), wk = 0.0025189 k( 317) = ( 0.1849315 0.5000000 0.1849315), wk = 0.0025189 k( 318) = ( 0.1780822 0.5000000 0.1780822), wk = 0.0025189 k( 319) = ( 0.1712329 0.5000000 0.1712329), wk = 0.0025189 k( 320) = ( 0.1643836 0.5000000 0.1643836), wk = 0.0025189 k( 321) = ( 0.1575342 0.5000000 0.1575342), wk = 0.0025189 k( 322) = ( 0.1506849 0.5000000 0.1506849), wk = 0.0025189 k( 323) = ( 0.1438356 0.5000000 0.1438356), wk = 0.0025189 k( 324) = ( 0.1369863 0.5000000 0.1369863), wk = 0.0025189 k( 325) = ( 0.1301370 0.5000000 0.1301370), wk = 0.0025189 k( 326) = ( 0.1232877 0.5000000 0.1232877), wk = 0.0025189 k( 327) = ( 0.1164384 0.5000000 0.1164384), wk = 0.0025189 k( 328) = ( 0.1095890 0.5000000 0.1095890), wk = 0.0025189 k( 329) = ( 0.1027397 0.5000000 0.1027397), wk = 0.0025189 k( 330) = ( 0.0958904 0.5000000 0.0958904), wk = 0.0025189 k( 331) = ( 0.0890411 0.5000000 0.0890411), wk = 0.0025189 k( 332) = ( 0.0821918 0.5000000 0.0821918), wk = 0.0025189 k( 333) = ( 0.0753425 0.5000000 0.0753425), wk = 0.0025189 k( 334) = ( 0.0684932 0.5000000 0.0684932), wk = 0.0025189 k( 335) = ( 0.0616438 0.5000000 0.0616438), wk = 0.0025189 k( 336) = ( 0.0547945 0.5000000 0.0547945), wk = 0.0025189 k( 337) = ( 0.0479452 0.5000000 0.0479452), wk = 0.0025189 k( 338) = ( 0.0410959 0.5000000 0.0410959), wk = 0.0025189 k( 339) = ( 0.0342466 0.5000000 0.0342466), wk = 0.0025189 k( 340) = ( 0.0273973 0.5000000 0.0273973), wk = 0.0025189 k( 341) = ( 0.0205479 0.5000000 0.0205479), wk = 0.0025189 k( 342) = ( 0.0136986 0.5000000 0.0136986), wk = 0.0025189 k( 343) = ( 0.0068493 0.5000000 0.0068493), wk = 0.0025189 k( 344) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025189 k( 345) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025189 k( 346) = ( 0.5000000 0.5000000 0.0096154), wk = 0.0025189 k( 347) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0025189 k( 348) = ( 0.5000000 0.5000000 0.0288462), wk = 0.0025189 k( 349) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0025189 k( 350) = ( 0.5000000 0.5000000 0.0480769), wk = 0.0025189 k( 351) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0025189 k( 352) = ( 0.5000000 0.5000000 0.0673077), wk = 0.0025189 k( 353) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0025189 k( 354) = ( 0.5000000 0.5000000 0.0865385), wk = 0.0025189 k( 355) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0025189 k( 356) = ( 0.5000000 0.5000000 0.1057692), wk = 0.0025189 k( 357) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0025189 k( 358) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0025189 k( 359) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0025189 k( 360) = ( 0.5000000 0.5000000 0.1442308), wk = 0.0025189 k( 361) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0025189 k( 362) = ( 0.5000000 0.5000000 0.1634615), wk = 0.0025189 k( 363) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0025189 k( 364) = ( 0.5000000 0.5000000 0.1826923), wk = 0.0025189 k( 365) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0025189 k( 366) = ( 0.5000000 0.5000000 0.2019231), wk = 0.0025189 k( 367) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0025189 k( 368) = ( 0.5000000 0.5000000 0.2211539), wk = 0.0025189 k( 369) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0025189 k( 370) = ( 0.5000000 0.5000000 0.2403846), wk = 0.0025189 k( 371) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025189 k( 372) = ( 0.5000000 0.5000000 0.2596154), wk = 0.0025189 k( 373) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0025189 k( 374) = ( 0.5000000 0.5000000 0.2788462), wk = 0.0025189 k( 375) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0025189 k( 376) = ( 0.5000000 0.5000000 0.2980769), wk = 0.0025189 k( 377) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0025189 k( 378) = ( 0.5000000 0.5000000 0.3173077), wk = 0.0025189 k( 379) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0025189 k( 380) = ( 0.5000000 0.5000000 0.3365385), wk = 0.0025189 k( 381) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0025189 k( 382) = ( 0.5000000 0.5000000 0.3557692), wk = 0.0025189 k( 383) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0025189 k( 384) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0025189 k( 385) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0025189 k( 386) = ( 0.5000000 0.5000000 0.3942308), wk = 0.0025189 k( 387) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0025189 k( 388) = ( 0.5000000 0.5000000 0.4134615), wk = 0.0025189 k( 389) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0025189 k( 390) = ( 0.5000000 0.5000000 0.4326923), wk = 0.0025189 k( 391) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0025189 k( 392) = ( 0.5000000 0.5000000 0.4519231), wk = 0.0025189 k( 393) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0025189 k( 394) = ( 0.5000000 0.5000000 0.4711538), wk = 0.0025189 k( 395) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0025189 k( 396) = ( 0.5000000 0.5000000 0.4903846), wk = 0.0025189 k( 397) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025189 Dense grid: 18853 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 144, 36) NL pseudopotentials 0.07 Mb ( 72, 68) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 526) G-vector shells 0.00 Mb ( 151) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 144, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.07 Mb ( 68, 2, 36) The potential is recalculated from file : ./TiRu.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs + 16 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.0 secs Computing kpt #: 2 total cpu time spent up to now is 1.2 secs Computing kpt #: 3 total cpu time spent up to now is 1.5 secs Computing kpt #: 4 total cpu time spent up to now is 1.7 secs Computing kpt #: 5 total cpu time spent up to now is 1.9 secs Computing kpt #: 6 total cpu time spent up to now is 2.1 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.8 secs Computing kpt #: 10 total cpu time spent up to now is 3.0 secs Computing kpt #: 11 total cpu time spent up to now is 3.3 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.7 secs Computing kpt #: 14 total cpu time spent up to now is 3.9 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.4 secs Computing kpt #: 17 total cpu time spent up to now is 4.6 secs Computing kpt #: 18 total cpu time spent up to now is 4.9 secs Computing kpt #: 19 total cpu time spent up to now is 5.1 secs Computing kpt #: 20 total cpu time spent up to now is 5.3 secs Computing kpt #: 21 total cpu time spent up to now is 5.5 secs Computing kpt #: 22 total cpu time spent up to now is 5.7 secs Computing kpt #: 23 total cpu time spent up to now is 5.9 secs Computing kpt #: 24 total cpu time spent up to now is 6.1 secs Computing kpt #: 25 total cpu time spent up to now is 6.5 secs Computing kpt #: 26 total cpu time spent up to now is 6.7 secs Computing kpt #: 27 total cpu time spent up to now is 6.9 secs Computing kpt #: 28 total cpu time spent up to now is 7.1 secs Computing kpt #: 29 total cpu time spent up to now is 7.3 secs Computing kpt #: 30 total cpu time spent up to now is 7.5 secs Computing kpt #: 31 total cpu time spent up to now is 7.7 secs Computing kpt #: 32 total cpu time spent up to now is 7.9 secs Computing kpt #: 33 total cpu time spent up to now is 8.1 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 8.4 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 9.1 secs Computing kpt #: 39 total cpu time spent up to now is 9.3 secs Computing kpt #: 40 total cpu time spent up to now is 9.5 secs Computing kpt #: 41 total cpu time spent up to now is 9.7 secs Computing kpt #: 42 total cpu time spent up to now is 9.9 secs Computing kpt #: 43 total cpu time spent up to now is 10.1 secs Computing kpt #: 44 total cpu time spent up to now is 10.4 secs Computing kpt #: 45 total cpu time spent up to now is 10.6 secs Computing kpt #: 46 total cpu time spent up to now is 10.8 secs Computing kpt #: 47 total cpu time spent up to now is 11.1 secs Computing kpt #: 48 total cpu time spent up to now is 11.3 secs Computing kpt #: 49 total cpu time spent up to now is 11.6 secs Computing kpt #: 50 total cpu time spent up to now is 11.9 secs Computing kpt #: 51 total cpu time spent up to now is 12.1 secs Computing kpt #: 52 total cpu time spent up to now is 12.3 secs Computing kpt #: 53 total cpu time spent up to now is 12.4 secs Computing kpt #: 54 total cpu time spent up to now is 12.6 secs Computing kpt #: 55 total cpu time spent up to now is 12.8 secs Computing kpt #: 56 total cpu time spent up to now is 13.1 secs Computing kpt #: 57 total cpu time spent up to now is 13.4 secs Computing kpt #: 58 total cpu time spent up to now is 13.6 secs Computing kpt #: 59 total cpu time spent up to now is 13.9 secs Computing kpt #: 60 total cpu time spent up to now is 14.2 secs Computing kpt #: 61 total cpu time spent up to now is 14.4 secs Computing kpt #: 62 total cpu time spent up to now is 14.7 secs Computing kpt #: 63 total cpu time spent up to now is 15.0 secs Computing kpt #: 64 total cpu time spent up to now is 15.2 secs Computing kpt #: 65 total cpu time spent up to now is 15.4 secs Computing kpt #: 66 total cpu time spent up to now is 15.6 secs Computing kpt #: 67 total cpu time spent up to now is 15.8 secs Computing kpt #: 68 total cpu time spent up to now is 16.0 secs Computing kpt #: 69 total cpu time spent up to now is 16.2 secs Computing kpt #: 70 total cpu time spent up to now is 16.4 secs Computing kpt #: 71 total cpu time spent up to now is 16.6 secs Computing kpt #: 72 total cpu time spent up to now is 16.8 secs Computing kpt #: 73 total cpu time spent up to now is 17.0 secs Computing kpt #: 74 total cpu time spent up to now is 17.2 secs Computing kpt #: 75 total cpu time spent up to now is 17.4 secs Computing kpt #: 76 total cpu time spent up to now is 17.6 secs Computing kpt #: 77 total cpu time spent up to now is 17.8 secs Computing kpt #: 78 total cpu time spent up to now is 18.0 secs Computing kpt #: 79 total cpu time spent up to now is 18.2 secs Computing kpt #: 80 total cpu time spent up to now is 18.4 secs Computing kpt #: 81 total cpu time spent up to now is 18.7 secs Computing kpt #: 82 total cpu time spent up to now is 18.9 secs Computing kpt #: 83 total cpu time spent up to now is 19.1 secs Computing kpt #: 84 total cpu time spent up to now is 19.3 secs Computing kpt #: 85 total cpu time spent up to now is 19.5 secs Computing kpt #: 86 total cpu time spent up to now is 19.7 secs Computing kpt #: 87 total cpu time spent up to now is 19.9 secs Computing kpt #: 88 total cpu time spent up to now is 20.1 secs Computing kpt #: 89 total cpu time spent up to now is 20.3 secs Computing kpt #: 90 total cpu time spent up to now is 20.5 secs Computing kpt #: 91 total cpu time spent up to now is 20.8 secs Computing kpt #: 92 total cpu time spent up to now is 21.0 secs Computing kpt #: 93 total cpu time spent up to now is 21.2 secs Computing kpt #: 94 total cpu time spent up to now is 21.4 secs Computing kpt #: 95 total cpu time spent up to now is 21.7 secs Computing kpt #: 96 total cpu time spent up to now is 21.9 secs Computing kpt #: 97 total cpu time spent up to now is 22.1 secs Computing kpt #: 98 total cpu time spent up to now is 22.3 secs Computing kpt #: 99 total cpu time spent up to now is 22.6 secs Computing kpt #: 100 total cpu time spent up to now is 22.8 secs Computing kpt #: 101 total cpu time spent up to now is 23.0 secs Computing kpt #: 102 total cpu time spent up to now is 23.2 secs Computing kpt #: 103 total cpu time spent up to now is 23.5 secs Computing kpt #: 104 total cpu time spent up to now is 23.7 secs Computing kpt #: 105 total cpu time spent up to now is 23.9 secs Computing kpt #: 106 total cpu time spent up to now is 24.1 secs Computing kpt #: 107 total cpu time spent up to now is 24.3 secs Computing kpt #: 108 total cpu time spent up to now is 24.6 secs Computing kpt #: 109 total cpu time spent up to now is 24.8 secs Computing kpt #: 110 total cpu time spent up to now is 25.0 secs Computing kpt #: 111 total cpu time spent up to now is 25.2 secs Computing kpt #: 112 total cpu time spent up to now is 25.4 secs Computing kpt #: 113 total cpu time spent up to now is 25.7 secs Computing kpt #: 114 total cpu time spent up to now is 25.9 secs Computing kpt #: 115 total cpu time spent up to now is 26.1 secs Computing kpt #: 116 total cpu time spent up to now is 26.3 secs Computing kpt #: 117 total cpu time spent up to now is 26.6 secs Computing kpt #: 118 total cpu time spent up to now is 26.8 secs Computing kpt #: 119 total cpu time spent up to now is 27.1 secs Computing kpt #: 120 total cpu time spent up to now is 27.3 secs Computing kpt #: 121 total cpu time spent up to now is 27.6 secs Computing kpt #: 122 total cpu time spent up to now is 27.8 secs Computing kpt #: 123 total cpu time spent up to now is 28.0 secs Computing kpt #: 124 total cpu time spent up to now is 28.3 secs Computing kpt #: 125 total cpu time spent up to now is 28.5 secs Computing kpt #: 126 total cpu time spent up to now is 28.7 secs Computing kpt #: 127 total cpu time spent up to now is 28.9 secs Computing kpt #: 128 total cpu time spent up to now is 29.1 secs Computing kpt #: 129 total cpu time spent up to now is 29.4 secs Computing kpt #: 130 total cpu time spent up to now is 29.6 secs Computing kpt #: 131 total cpu time spent up to now is 29.8 secs Computing kpt #: 132 total cpu time spent up to now is 30.0 secs Computing kpt #: 133 total cpu time spent up to now is 30.2 secs Computing kpt #: 134 total cpu time spent up to now is 30.4 secs Computing kpt #: 135 total cpu time spent up to now is 30.6 secs Computing kpt #: 136 total cpu time spent up to now is 30.8 secs Computing kpt #: 137 total cpu time spent up to now is 31.0 secs Computing kpt #: 138 total cpu time spent up to now is 31.1 secs Computing kpt #: 139 total cpu time spent up to now is 31.3 secs Computing kpt #: 140 total cpu time spent up to now is 31.5 secs Computing kpt #: 141 total cpu time spent up to now is 31.7 secs Computing kpt #: 142 total cpu time spent up to now is 31.8 secs Computing kpt #: 143 total cpu time spent up to now is 32.0 secs Computing kpt #: 144 total cpu time spent up to now is 32.2 secs Computing kpt #: 145 total cpu time spent up to now is 32.4 secs Computing kpt #: 146 total cpu time spent up to now is 32.6 secs Computing kpt #: 147 total cpu time spent up to now is 32.7 secs Computing kpt #: 148 total cpu time spent up to now is 32.9 secs Computing kpt #: 149 total cpu time spent up to now is 33.1 secs Computing kpt #: 150 total cpu time spent up to now is 33.3 secs Computing kpt #: 151 total cpu time spent up to now is 33.5 secs Computing kpt #: 152 total cpu time spent up to now is 33.6 secs Computing kpt #: 153 total cpu time spent up to now is 33.8 secs Computing kpt #: 154 total cpu time spent up to now is 34.0 secs Computing kpt #: 155 total cpu time spent up to now is 34.2 secs Computing kpt #: 156 total cpu time spent up to now is 34.4 secs Computing kpt #: 157 total cpu time spent up to now is 34.6 secs Computing kpt #: 158 total cpu time spent up to now is 34.8 secs Computing kpt #: 159 total cpu time spent up to now is 35.0 secs Computing kpt #: 160 total cpu time spent up to now is 35.2 secs Computing kpt #: 161 total cpu time spent up to now is 35.4 secs Computing kpt #: 162 total cpu time spent up to now is 35.6 secs Computing kpt #: 163 total cpu time spent up to now is 35.8 secs Computing kpt #: 164 total cpu time spent up to now is 36.0 secs Computing kpt #: 165 total cpu time spent up to now is 36.2 secs Computing kpt #: 166 total cpu time spent up to now is 36.5 secs Computing kpt #: 167 total cpu time spent up to now is 36.7 secs Computing kpt #: 168 total cpu time spent up to now is 36.9 secs Computing kpt #: 169 total cpu time spent up to now is 37.1 secs Computing kpt #: 170 total cpu time spent up to now is 37.4 secs Computing kpt #: 171 total cpu time spent up to now is 37.6 secs Computing kpt #: 172 total cpu time spent up to now is 37.8 secs Computing kpt #: 173 total cpu time spent up to now is 38.1 secs Computing kpt #: 174 total cpu time spent up to now is 38.3 secs Computing kpt #: 175 total cpu time spent up to now is 38.6 secs Computing kpt #: 176 total cpu time spent up to now is 38.9 secs Computing kpt #: 177 total cpu time spent up to now is 39.3 secs Computing kpt #: 178 total cpu time spent up to now is 39.5 secs Computing kpt #: 179 total cpu time spent up to now is 39.7 secs Computing kpt #: 180 total cpu time spent up to now is 40.0 secs Computing kpt #: 181 total cpu time spent up to now is 40.1 secs Computing kpt #: 182 total cpu time spent up to now is 40.3 secs Computing kpt #: 183 total cpu time spent up to now is 40.5 secs Computing kpt #: 184 total cpu time spent up to now is 40.7 secs Computing kpt #: 185 total cpu time spent up to now is 41.0 secs Computing kpt #: 186 total cpu time spent up to now is 41.2 secs Computing kpt #: 187 total cpu time spent up to now is 41.4 secs Computing kpt #: 188 total cpu time spent up to now is 41.6 secs Computing kpt #: 189 total cpu time spent up to now is 41.9 secs Computing kpt #: 190 total cpu time spent up to now is 42.1 secs Computing kpt #: 191 total cpu time spent up to now is 42.3 secs Computing kpt #: 192 total cpu time spent up to now is 42.6 secs Computing kpt #: 193 total cpu time spent up to now is 42.8 secs Computing kpt #: 194 total cpu time spent up to now is 43.0 secs Computing kpt #: 195 total cpu time spent up to now is 43.3 secs Computing kpt #: 196 total cpu time spent up to now is 43.5 secs Computing kpt #: 197 total cpu time spent up to now is 43.7 secs Computing kpt #: 198 total cpu time spent up to now is 43.9 secs Computing kpt #: 199 total cpu time spent up to now is 44.2 secs Computing kpt #: 200 total cpu time spent up to now is 44.4 secs Computing kpt #: 201 total cpu time spent up to now is 44.6 secs Computing kpt #: 202 total cpu time spent up to now is 44.9 secs Computing kpt #: 203 total cpu time spent up to now is 45.1 secs Computing kpt #: 204 total cpu time spent up to now is 45.3 secs Computing kpt #: 205 total cpu time spent up to now is 45.5 secs Computing kpt #: 206 total cpu time spent up to now is 45.8 secs Computing kpt #: 207 total cpu time spent up to now is 46.0 secs Computing kpt #: 208 total cpu time spent up to now is 46.2 secs Computing kpt #: 209 total cpu time spent up to now is 46.5 secs Computing kpt #: 210 total cpu time spent up to now is 46.7 secs Computing kpt #: 211 total cpu time spent up to now is 46.9 secs Computing kpt #: 212 total cpu time spent up to now is 47.2 secs Computing kpt #: 213 total cpu time spent up to now is 47.4 secs Computing kpt #: 214 total cpu time spent up to now is 47.6 secs Computing kpt #: 215 total cpu time spent up to now is 47.9 secs Computing kpt #: 216 total cpu time spent up to now is 48.1 secs Computing kpt #: 217 total cpu time spent up to now is 48.3 secs Computing kpt #: 218 total cpu time spent up to now is 48.6 secs Computing kpt #: 219 total cpu time spent up to now is 48.8 secs Computing kpt #: 220 total cpu time spent up to now is 49.1 secs Computing kpt #: 221 total cpu time spent up to now is 49.3 secs Computing kpt #: 222 total cpu time spent up to now is 49.5 secs Computing kpt #: 223 total cpu time spent up to now is 49.7 secs Computing kpt #: 224 total cpu time spent up to now is 49.9 secs Computing kpt #: 225 total cpu time spent up to now is 50.2 secs Computing kpt #: 226 total cpu time spent up to now is 50.4 secs Computing kpt #: 227 total cpu time spent up to now is 50.6 secs Computing kpt #: 228 total cpu time spent up to now is 50.8 secs Computing kpt #: 229 total cpu time spent up to now is 51.0 secs Computing kpt #: 230 total cpu time spent up to now is 51.2 secs Computing kpt #: 231 total cpu time spent up to now is 51.5 secs Computing kpt #: 232 total cpu time spent up to now is 51.7 secs Computing kpt #: 233 total cpu time spent up to now is 51.9 secs Computing kpt #: 234 total cpu time spent up to now is 52.1 secs Computing kpt #: 235 total cpu time spent up to now is 52.3 secs Computing kpt #: 236 total cpu time spent up to now is 52.5 secs Computing kpt #: 237 total cpu time spent up to now is 52.7 secs Computing kpt #: 238 total cpu time spent up to now is 52.9 secs Computing kpt #: 239 total cpu time spent up to now is 53.1 secs Computing kpt #: 240 total cpu time spent up to now is 53.3 secs Computing kpt #: 241 total cpu time spent up to now is 53.5 secs Computing kpt #: 242 total cpu time spent up to now is 53.7 secs Computing kpt #: 243 total cpu time spent up to now is 53.8 secs Computing kpt #: 244 total cpu time spent up to now is 54.0 secs Computing kpt #: 245 total cpu time spent up to now is 54.2 secs Computing kpt #: 246 total cpu time spent up to now is 54.4 secs Computing kpt #: 247 total cpu time spent up to now is 54.5 secs Computing kpt #: 248 total cpu time spent up to now is 54.7 secs Computing kpt #: 249 total cpu time spent up to now is 54.9 secs Computing kpt #: 250 total cpu time spent up to now is 55.1 secs Computing kpt #: 251 total cpu time spent up to now is 55.2 secs Computing kpt #: 252 total cpu time spent up to now is 55.4 secs Computing kpt #: 253 total cpu time spent up to now is 55.6 secs Computing kpt #: 254 total cpu time spent up to now is 55.7 secs Computing kpt #: 255 total cpu time spent up to now is 55.9 secs Computing kpt #: 256 total cpu time spent up to now is 56.1 secs Computing kpt #: 257 total cpu time spent up to now is 56.3 secs Computing kpt #: 258 total cpu time spent up to now is 56.4 secs Computing kpt #: 259 total cpu time spent up to now is 56.6 secs Computing kpt #: 260 total cpu time spent up to now is 56.8 secs Computing kpt #: 261 total cpu time spent up to now is 56.9 secs Computing kpt #: 262 total cpu time spent up to now is 57.1 secs Computing kpt #: 263 total cpu time spent up to now is 57.3 secs Computing kpt #: 264 total cpu time spent up to now is 57.4 secs Computing kpt #: 265 total cpu time spent up to now is 57.6 secs Computing kpt #: 266 total cpu time spent up to now is 57.8 secs Computing kpt #: 267 total cpu time spent up to now is 57.9 secs Computing kpt #: 268 total cpu time spent up to now is 58.1 secs Computing kpt #: 269 total cpu time spent up to now is 58.3 secs Computing kpt #: 270 total cpu time spent up to now is 58.5 secs Computing kpt #: 271 total cpu time spent up to now is 58.6 secs Computing kpt #: 272 total cpu time spent up to now is 58.8 secs Computing kpt #: 273 total cpu time spent up to now is 59.0 secs Computing kpt #: 274 total cpu time spent up to now is 59.1 secs Computing kpt #: 275 total cpu time spent up to now is 59.3 secs Computing kpt #: 276 total cpu time spent up to now is 59.5 secs Computing kpt #: 277 total cpu time spent up to now is 59.6 secs Computing kpt #: 278 total cpu time spent up to now is 59.8 secs Computing kpt #: 279 total cpu time spent up to now is 60.0 secs Computing kpt #: 280 total cpu time spent up to now is 60.1 secs Computing kpt #: 281 total cpu time spent up to now is 60.3 secs Computing kpt #: 282 total cpu time spent up to now is 60.5 secs Computing kpt #: 283 total cpu time spent up to now is 60.7 secs Computing kpt #: 284 total cpu time spent up to now is 60.8 secs Computing kpt #: 285 total cpu time spent up to now is 61.0 secs Computing kpt #: 286 total cpu time spent up to now is 61.2 secs Computing kpt #: 287 total cpu time spent up to now is 61.3 secs Computing kpt #: 288 total cpu time spent up to now is 61.5 secs Computing kpt #: 289 total cpu time spent up to now is 61.7 secs Computing kpt #: 290 total cpu time spent up to now is 61.9 secs Computing kpt #: 291 total cpu time spent up to now is 62.0 secs Computing kpt #: 292 total cpu time spent up to now is 62.2 secs Computing kpt #: 293 total cpu time spent up to now is 62.4 secs Computing kpt #: 294 total cpu time spent up to now is 62.6 secs Computing kpt #: 295 total cpu time spent up to now is 62.8 secs Computing kpt #: 296 total cpu time spent up to now is 62.9 secs Computing kpt #: 297 total cpu time spent up to now is 63.1 secs Computing kpt #: 298 total cpu time spent up to now is 63.3 secs Computing kpt #: 299 total cpu time spent up to now is 63.5 secs Computing kpt #: 300 total cpu time spent up to now is 63.7 secs Computing kpt #: 301 total cpu time spent up to now is 63.9 secs Computing kpt #: 302 total cpu time spent up to now is 64.0 secs Computing kpt #: 303 total cpu time spent up to now is 64.2 secs Computing kpt #: 304 total cpu time spent up to now is 64.4 secs Computing kpt #: 305 total cpu time spent up to now is 64.6 secs Computing kpt #: 306 total cpu time spent up to now is 64.8 secs Computing kpt #: 307 total cpu time spent up to now is 65.0 secs Computing kpt #: 308 total cpu time spent up to now is 65.2 secs Computing kpt #: 309 total cpu time spent up to now is 65.4 secs Computing kpt #: 310 total cpu time spent up to now is 65.6 secs Computing kpt #: 311 total cpu time spent up to now is 65.8 secs Computing kpt #: 312 total cpu time spent up to now is 66.0 secs Computing kpt #: 313 total cpu time spent up to now is 66.2 secs Computing kpt #: 314 total cpu time spent up to now is 66.4 secs Computing kpt #: 315 total cpu time spent up to now is 66.6 secs Computing kpt #: 316 total cpu time spent up to now is 66.8 secs Computing kpt #: 317 total cpu time spent up to now is 67.0 secs Computing kpt #: 318 total cpu time spent up to now is 67.2 secs Computing kpt #: 319 total cpu time spent up to now is 67.4 secs Computing kpt #: 320 total cpu time spent up to now is 67.6 secs Computing kpt #: 321 total cpu time spent up to now is 67.9 secs Computing kpt #: 322 total cpu time spent up to now is 68.1 secs Computing kpt #: 323 total cpu time spent up to now is 68.3 secs Computing kpt #: 324 total cpu time spent up to now is 68.5 secs Computing kpt #: 325 total cpu time spent up to now is 68.8 secs Computing kpt #: 326 total cpu time spent up to now is 69.0 secs Computing kpt #: 327 total cpu time spent up to now is 69.2 secs Computing kpt #: 328 total cpu time spent up to now is 69.4 secs Computing kpt #: 329 total cpu time spent up to now is 69.6 secs Computing kpt #: 330 total cpu time spent up to now is 69.8 secs Computing kpt #: 331 total cpu time spent up to now is 70.1 secs Computing kpt #: 332 total cpu time spent up to now is 70.3 secs Computing kpt #: 333 total cpu time spent up to now is 70.5 secs Computing kpt #: 334 total cpu time spent up to now is 70.7 secs Computing kpt #: 335 total cpu time spent up to now is 71.0 secs Computing kpt #: 336 total cpu time spent up to now is 71.3 secs Computing kpt #: 337 total cpu time spent up to now is 71.5 secs Computing kpt #: 338 total cpu time spent up to now is 71.8 secs Computing kpt #: 339 total cpu time spent up to now is 72.1 secs Computing kpt #: 340 total cpu time spent up to now is 72.4 secs Computing kpt #: 341 total cpu time spent up to now is 72.6 secs Computing kpt #: 342 total cpu time spent up to now is 72.9 secs Computing kpt #: 343 total cpu time spent up to now is 73.1 secs Computing kpt #: 344 total cpu time spent up to now is 73.3 secs Computing kpt #: 345 total cpu time spent up to now is 73.5 secs Computing kpt #: 346 total cpu time spent up to now is 73.7 secs Computing kpt #: 347 total cpu time spent up to now is 74.0 secs Computing kpt #: 348 total cpu time spent up to now is 74.2 secs Computing kpt #: 349 total cpu time spent up to now is 74.4 secs Computing kpt #: 350 total cpu time spent up to now is 74.6 secs Computing kpt #: 351 total cpu time spent up to now is 74.9 secs Computing kpt #: 352 total cpu time spent up to now is 75.1 secs Computing kpt #: 353 total cpu time spent up to now is 75.3 secs Computing kpt #: 354 total cpu time spent up to now is 75.5 secs Computing kpt #: 355 total cpu time spent up to now is 75.7 secs Computing kpt #: 356 total cpu time spent up to now is 75.9 secs Computing kpt #: 357 total cpu time spent up to now is 76.1 secs Computing kpt #: 358 total cpu time spent up to now is 76.3 secs Computing kpt #: 359 total cpu time spent up to now is 76.6 secs Computing kpt #: 360 total cpu time spent up to now is 76.8 secs Computing kpt #: 361 total cpu time spent up to now is 77.0 secs Computing kpt #: 362 total cpu time spent up to now is 77.1 secs Computing kpt #: 363 total cpu time spent up to now is 77.3 secs Computing kpt #: 364 total cpu time spent up to now is 77.5 secs Computing kpt #: 365 total cpu time spent up to now is 77.7 secs Computing kpt #: 366 total cpu time spent up to now is 77.9 secs Computing kpt #: 367 total cpu time spent up to now is 78.1 secs Computing kpt #: 368 total cpu time spent up to now is 78.3 secs Computing kpt #: 369 total cpu time spent up to now is 78.5 secs Computing kpt #: 370 total cpu time spent up to now is 78.6 secs Computing kpt #: 371 total cpu time spent up to now is 78.8 secs Computing kpt #: 372 total cpu time spent up to now is 79.0 secs Computing kpt #: 373 total cpu time spent up to now is 79.2 secs Computing kpt #: 374 total cpu time spent up to now is 79.4 secs Computing kpt #: 375 total cpu time spent up to now is 79.5 secs Computing kpt #: 376 total cpu time spent up to now is 79.7 secs Computing kpt #: 377 total cpu time spent up to now is 79.9 secs Computing kpt #: 378 total cpu time spent up to now is 80.1 secs Computing kpt #: 379 total cpu time spent up to now is 80.3 secs Computing kpt #: 380 total cpu time spent up to now is 80.4 secs Computing kpt #: 381 total cpu time spent up to now is 80.6 secs Computing kpt #: 382 total cpu time spent up to now is 80.8 secs Computing kpt #: 383 total cpu time spent up to now is 81.0 secs Computing kpt #: 384 total cpu time spent up to now is 81.1 secs Computing kpt #: 385 total cpu time spent up to now is 81.3 secs Computing kpt #: 386 total cpu time spent up to now is 81.5 secs Computing kpt #: 387 total cpu time spent up to now is 81.6 secs Computing kpt #: 388 total cpu time spent up to now is 81.8 secs Computing kpt #: 389 total cpu time spent up to now is 82.0 secs Computing kpt #: 390 total cpu time spent up to now is 82.1 secs Computing kpt #: 391 total cpu time spent up to now is 82.3 secs Computing kpt #: 392 total cpu time spent up to now is 82.5 secs Computing kpt #: 393 total cpu time spent up to now is 82.6 secs Computing kpt #: 394 total cpu time spent up to now is 82.8 secs Computing kpt #: 395 total cpu time spent up to now is 83.0 secs Computing kpt #: 396 total cpu time spent up to now is 83.2 secs Computing kpt #: 397 total cpu time spent up to now is 83.3 secs ethr = 3.57E-08, avg # of iterations = 19.7 total cpu time spent up to now is 83.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -51.9360 -51.9360 -37.4824 -37.4824 -24.4680 -24.4680 -21.2840 -21.2840 -21.2840 -21.2840 -14.0679 -14.0679 -13.4003 -13.4003 -13.4003 -13.4003 12.4965 12.4965 14.6189 14.6189 14.6189 14.6189 18.0442 18.0442 18.0442 18.0442 18.2056 18.2056 21.1589 21.1589 21.1589 21.1589 22.8623 22.8623 22.8623 22.8623 k = 0.0000 0.0096-0.0000 ( 2357 PWs) bands (ev): -51.9360 -51.9360 -37.4824 -37.4824 -24.4680 -24.4680 -21.2840 -21.2840 -21.2839 -21.2839 -14.0680 -14.0680 -13.4004 -13.4004 -13.4003 -13.4003 12.4985 12.4985 14.6199 14.6199 14.6204 14.6204 18.0439 18.0439 18.0445 18.0445 18.2056 18.2056 21.1572 21.1572 21.1596 21.1596 22.8586 22.8586 22.8605 22.8605 k = 0.0000 0.0192-0.0000 ( 2353 PWs) bands (ev): -51.9360 -51.9360 -37.4824 -37.4824 -24.4680 -24.4680 -21.2843 -21.2843 -21.2838 -21.2838 -14.0682 -14.0682 -13.4009 -13.4009 -13.4003 -13.4003 12.5043 12.5043 14.6226 14.6226 14.6248 14.6248 18.0429 18.0429 18.0454 18.0454 18.2057 18.2057 21.1518 21.1518 21.1615 21.1615 22.8476 22.8476 22.8547 22.8547 k = 0.0000 0.0288-0.0000 ( 2353 PWs) bands (ev): -51.9359 -51.9359 -37.4823 -37.4823 -24.4682 -24.4682 -21.2847 -21.2847 -21.2837 -21.2837 -14.0686 -14.0686 -13.4017 -13.4017 -13.4003 -13.4003 12.5141 12.5141 14.6272 14.6272 14.6321 14.6321 18.0412 18.0412 18.0469 18.0469 18.2058 18.2058 21.1429 21.1429 21.1647 21.1647 22.8295 22.8295 22.8445 22.8445 k = 0.0000 0.0385-0.0000 ( 2353 PWs) bands (ev): -51.9358 -51.9358 -37.4822 -37.4822 -24.4683 -24.4683 -21.2853 -21.2853 -21.2835 -21.2835 -14.0691 -14.0691 -13.4029 -13.4029 -13.4004 -13.4004 12.5277 12.5277 14.6337 14.6337 14.6423 14.6423 18.0389 18.0389 18.0488 18.0488 18.2060 18.2060 21.1304 21.1304 21.1692 21.1692 22.8044 22.8044 22.8290 22.8290 k = 0.0000 0.0481-0.0000 ( 2353 PWs) bands (ev): -51.9357 -51.9357 -37.4821 -37.4821 -24.4686 -24.4686 -21.2861 -21.2861 -21.2833 -21.2833 -14.0698 -14.0698 -13.4043 -13.4043 -13.4005 -13.4005 12.5452 12.5452 14.6419 14.6419 14.6554 14.6554 18.0359 18.0359 18.0511 18.0511 18.2065 18.2065 21.1145 21.1145 21.1750 21.1750 22.7727 22.7727 22.8069 22.8069 k = 0.0000 0.0577-0.0000 ( 2353 PWs) bands (ev): -51.9356 -51.9356 -37.4819 -37.4819 -24.4689 -24.4689 -21.2871 -21.2871 -21.2831 -21.2831 -14.0706 -14.0706 -13.4061 -13.4061 -13.4005 -13.4005 12.5665 12.5665 14.6520 14.6520 14.6714 14.6714 18.0324 18.0324 18.0536 18.0536 18.2075 18.2075 21.0951 21.0951 21.1820 21.1820 22.7347 22.7347 22.7773 22.7773 k = 0.0000 0.0673-0.0000 ( 2369 PWs) bands (ev): -51.9354 -51.9354 -37.4817 -37.4817 -24.4693 -24.4693 -21.2884 -21.2884 -21.2828 -21.2828 -14.0715 -14.0715 -13.4082 -13.4082 -13.4006 -13.4006 12.5916 12.5916 14.6639 14.6639 14.6901 14.6901 18.0282 18.0282 18.0561 18.0561 18.2091 18.2091 21.0722 21.0722 21.1902 21.1902 22.6910 22.6910 22.7402 22.7402 k = 0.0000 0.0769-0.0000 ( 2365 PWs) bands (ev): -51.9353 -51.9353 -37.4815 -37.4815 -24.4697 -24.4697 -21.2896 -21.2896 -21.2824 -21.2824 -14.0726 -14.0726 -13.4105 -13.4105 -13.4008 -13.4008 12.6204 12.6204 14.6776 14.6776 14.7116 14.7116 18.0235 18.0235 18.0584 18.0584 18.2116 18.2116 21.0460 21.0460 21.1996 21.1996 22.6418 22.6418 22.6961 22.6961 k = 0.0000 0.0865-0.0000 ( 2365 PWs) bands (ev): -51.9351 -51.9351 -37.4813 -37.4813 -24.4701 -24.4701 -21.2911 -21.2911 -21.2820 -21.2820 -14.0739 -14.0739 -13.4132 -13.4132 -13.4009 -13.4009 12.6530 12.6530 14.6932 14.6932 14.7358 14.7358 18.0182 18.0182 18.0603 18.0603 18.2152 18.2152 21.0166 21.0166 21.2101 21.2101 22.5879 22.5879 22.6460 22.6460 k = 0.0000 0.0962-0.0000 ( 2365 PWs) bands (ev): -51.9349 -51.9349 -37.4810 -37.4810 -24.4706 -24.4706 -21.2927 -21.2927 -21.2816 -21.2816 -14.0752 -14.0752 -13.4161 -13.4161 -13.4010 -13.4010 12.6892 12.6892 14.7104 14.7104 14.7627 14.7627 18.0125 18.0125 18.0616 18.0616 18.2202 18.2202 20.9839 20.9839 21.2218 21.2218 22.5295 22.5295 22.5908 22.5908 k = 0.0000 0.1058-0.0000 ( 2365 PWs) bands (ev): -51.9346 -51.9346 -37.4807 -37.4807 -24.4711 -24.4711 -21.2944 -21.2944 -21.2811 -21.2811 -14.0768 -14.0768 -13.4192 -13.4192 -13.4012 -13.4012 12.7290 12.7290 14.7295 14.7295 14.7922 14.7922 18.0062 18.0062 18.0621 18.0621 18.2266 18.2266 20.9480 20.9480 21.2345 21.2345 22.4673 22.4673 22.5310 22.5310 k = 0.0000 0.1154-0.0000 ( 2365 PWs) bands (ev): -51.9344 -51.9344 -37.4804 -37.4804 -24.4717 -24.4717 -21.2963 -21.2963 -21.2806 -21.2806 -14.0784 -14.0784 -13.4226 -13.4226 -13.4014 -13.4014 12.7723 12.7723 14.7503 14.7503 14.8241 14.8241 17.9995 17.9995 18.0616 18.0616 18.2348 18.2348 20.9092 20.9092 21.2482 21.2482 22.4018 22.4018 22.4675 22.4675 k = 0.0000 0.1250-0.0000 ( 2373 PWs) bands (ev): -51.9341 -51.9341 -37.4801 -37.4801 -24.4724 -24.4724 -21.2984 -21.2984 -21.2801 -21.2801 -14.0802 -14.0802 -13.4262 -13.4262 -13.4016 -13.4016 12.8191 12.8191 14.7728 14.7728 14.8585 14.8585 17.9924 17.9924 18.0601 18.0601 18.2447 18.2447 20.8673 20.8673 21.2629 21.2629 22.3333 22.3333 22.4007 22.4007 k = 0.0000 0.1346-0.0000 ( 2369 PWs) bands (ev): -51.9338 -51.9338 -37.4797 -37.4797 -24.4730 -24.4730 -21.3005 -21.3005 -21.2795 -21.2795 -14.0821 -14.0821 -13.4300 -13.4300 -13.4018 -13.4018 12.8693 12.8693 14.7970 14.7970 14.8953 14.8953 17.9849 17.9849 18.0576 18.0576 18.2564 18.2564 20.8226 20.8226 21.2785 21.2785 22.2625 22.2625 22.3312 22.3312 k = 0.0000 0.1442-0.0000 ( 2369 PWs) bands (ev): -51.9335 -51.9335 -37.4793 -37.4793 -24.4737 -24.4737 -21.3027 -21.3027 -21.2788 -21.2788 -14.0842 -14.0842 -13.4340 -13.4340 -13.4020 -13.4020 12.9227 12.9227 14.8228 14.8228 14.9343 14.9343 17.9771 17.9771 18.0542 18.0542 18.2698 18.2698 20.7752 20.7752 21.2949 21.2949 22.1896 22.1896 22.2595 22.2595 k = 0.0000 0.1538-0.0000 ( 2361 PWs) bands (ev): -51.9332 -51.9332 -37.4790 -37.4790 -24.4744 -24.4744 -21.3050 -21.3050 -21.2782 -21.2782 -14.0863 -14.0863 -13.4382 -13.4382 -13.4022 -13.4022 12.9793 12.9793 14.8504 14.8504 14.9755 14.9755 17.9690 17.9690 18.0500 18.0500 18.2848 18.2848 20.7252 20.7252 21.3121 21.3121 22.1152 22.1152 22.1860 22.1860 k = 0.0000 0.1635-0.0000 ( 2369 PWs) bands (ev): -51.9329 -51.9329 -37.4786 -37.4786 -24.4752 -24.4752 -21.3075 -21.3075 -21.2775 -21.2775 -14.0886 -14.0886 -13.4425 -13.4425 -13.4024 -13.4024 13.0390 13.0390 14.8795 14.8795 15.0187 15.0187 17.9607 17.9607 18.0450 18.0450 18.3014 18.3014 20.6726 20.6726 21.3300 21.3300 22.0396 22.0396 22.1111 22.1111 k = 0.0000 0.1731-0.0000 ( 2369 PWs) bands (ev): -51.9325 -51.9325 -37.4781 -37.4781 -24.4760 -24.4760 -21.3101 -21.3101 -21.2768 -21.2768 -14.0910 -14.0910 -13.4469 -13.4469 -13.4026 -13.4026 13.1016 13.1016 14.9102 14.9102 15.0638 15.0638 17.9522 17.9522 18.0395 18.0395 18.3194 18.3194 20.6177 20.6177 21.3484 21.3484 21.9631 21.9631 22.0351 22.0351 k = 0.0000 0.1827-0.0000 ( 2361 PWs) bands (ev): -51.9322 -51.9322 -37.4777 -37.4777 -24.4768 -24.4768 -21.3127 -21.3127 -21.2760 -21.2760 -14.0935 -14.0935 -13.4515 -13.4515 -13.4029 -13.4029 13.1671 13.1671 14.9425 14.9425 15.1107 15.1107 17.9436 17.9436 18.0335 18.0335 18.3387 18.3387 20.5606 20.5606 21.3673 21.3673 21.8863 21.8863 21.9585 21.9585 k = 0.0000 0.1923-0.0000 ( 2357 PWs) bands (ev): -51.9318 -51.9318 -37.4772 -37.4772 -24.4776 -24.4776 -21.3153 -21.3153 -21.2753 -21.2753 -14.0961 -14.0961 -13.4561 -13.4561 -13.4031 -13.4031 13.2353 13.2353 14.9762 14.9762 15.1594 15.1594 17.9348 17.9348 18.0270 18.0270 18.3592 18.3592 20.5013 20.5013 21.3865 21.3865 21.8093 21.8093 21.8815 21.8815 k = 0.0000 0.2019-0.0000 ( 2365 PWs) bands (ev): -51.9315 -51.9315 -37.4768 -37.4768 -24.4785 -24.4785 -21.3181 -21.3181 -21.2746 -21.2746 -14.0989 -14.0989 -13.4608 -13.4608 -13.4034 -13.4034 13.3061 13.3061 15.0114 15.0114 15.2095 15.2095 17.9260 17.9260 18.0203 18.0203 18.3809 18.3809 20.4401 20.4401 21.4058 21.4058 21.7327 21.7327 21.8045 21.8045 k = 0.0000 0.2115-0.0000 ( 2357 PWs) bands (ev): -51.9311 -51.9311 -37.4763 -37.4763 -24.4794 -24.4794 -21.3209 -21.3209 -21.2738 -21.2738 -14.1016 -14.1016 -13.4655 -13.4655 -13.4037 -13.4037 13.3793 13.3793 15.0481 15.0481 15.2611 15.2611 17.9172 17.9172 18.0134 18.0134 18.4036 18.4036 20.3770 20.3770 21.4247 21.4247 21.6570 21.6570 21.7276 21.7276 k = 0.0000 0.2212-0.0000 ( 2353 PWs) bands (ev): -51.9307 -51.9307 -37.4758 -37.4758 -24.4803 -24.4803 -21.3237 -21.3237 -21.2730 -21.2730 -14.1045 -14.1045 -13.4702 -13.4702 -13.4039 -13.4039 13.4547 13.4547 15.0861 15.0861 15.3139 15.3139 17.9084 17.9084 18.0064 18.0064 18.4273 18.4273 20.3123 20.3123 21.4419 21.4419 21.5837 21.5837 21.6512 21.6512 k = 0.0000 0.2308-0.0000 ( 2353 PWs) bands (ev): -51.9303 -51.9303 -37.4754 -37.4754 -24.4812 -24.4812 -21.3265 -21.3265 -21.2722 -21.2722 -14.1075 -14.1075 -13.4750 -13.4750 -13.4042 -13.4042 13.5322 13.5322 15.1253 15.1253 15.3679 15.3679 17.8996 17.8996 17.9993 17.9993 18.4519 18.4519 20.2461 20.2461 21.4496 21.4496 21.5206 21.5206 21.5755 21.5755 k = 0.0000 0.2404-0.0000 ( 2353 PWs) bands (ev): -51.9299 -51.9299 -37.4749 -37.4749 -24.4821 -24.4821 -21.3294 -21.3294 -21.2713 -21.2713 -14.1105 -14.1105 -13.4798 -13.4798 -13.4045 -13.4045 13.6115 13.6115 15.1659 15.1659 15.4228 15.4228 17.8910 17.8910 17.9922 17.9922 18.4772 18.4772 20.1786 20.1786 21.4125 21.4125 21.5006 21.5006 21.5033 21.5033 k = 0.0000 0.2500-0.0000 ( 2373 PWs) bands (ev): -51.9295 -51.9295 -37.4744 -37.4744 -24.4831 -24.4831 -21.3324 -21.3324 -21.2706 -21.2706 -14.1135 -14.1135 -13.4845 -13.4845 -13.4047 -13.4047 13.6925 13.6925 15.2075 15.2075 15.4785 15.4785 17.8825 17.8825 17.9851 17.9851 18.5033 18.5033 20.1099 20.1099 21.3459 21.3459 21.4269 21.4269 21.5162 21.5162 k = 0.0000 0.2596-0.0000 ( 2352 PWs) bands (ev): -51.9291 -51.9291 -37.4739 -37.4739 -24.4840 -24.4840 -21.3351 -21.3351 -21.2698 -21.2698 -14.1166 -14.1166 -13.4891 -13.4891 -13.4050 -13.4050 13.7750 13.7750 15.2503 15.2503 15.5347 15.5347 17.8742 17.8742 17.9782 17.9782 18.5299 18.5299 20.0403 20.0403 21.2761 21.2761 21.3545 21.3545 21.5335 21.5335 k = 0.0000 0.2692-0.0000 ( 2344 PWs) bands (ev): -51.9287 -51.9287 -37.4734 -37.4734 -24.4849 -24.4849 -21.3380 -21.3380 -21.2689 -21.2689 -14.1197 -14.1197 -13.4937 -13.4937 -13.4053 -13.4053 13.8587 13.8587 15.2940 15.2940 15.5915 15.5915 17.8661 17.8661 17.9714 17.9714 18.5571 18.5571 19.9698 19.9698 21.2066 21.2066 21.2836 21.2836 21.5514 21.5514 k = 0.0000 0.2788-0.0000 ( 2344 PWs) bands (ev): -51.9284 -51.9284 -37.4730 -37.4730 -24.4858 -24.4858 -21.3408 -21.3408 -21.2681 -21.2681 -14.1229 -14.1229 -13.4983 -13.4983 -13.4055 -13.4055 13.9433 13.9433 15.3387 15.3387 15.6485 15.6485 17.8582 17.8582 17.9649 17.9649 18.5848 18.5848 19.8987 19.8987 21.1383 21.1383 21.2142 21.2142 21.5689 21.5689 k = 0.0000 0.2885-0.0000 ( 2344 PWs) bands (ev): -51.9280 -51.9280 -37.4725 -37.4725 -24.4867 -24.4867 -21.3436 -21.3436 -21.2673 -21.2673 -14.1260 -14.1260 -13.5027 -13.5027 -13.4058 -13.4058 14.0287 14.0287 15.3841 15.3841 15.7055 15.7055 17.8506 17.8506 17.9585 17.9585 18.6127 18.6127 19.8273 19.8273 21.0717 21.0717 21.1467 21.1467 21.5857 21.5857 k = 0.0000 0.2981-0.0000 ( 2344 PWs) bands (ev): -51.9276 -51.9276 -37.4720 -37.4720 -24.4876 -24.4876 -21.3463 -21.3463 -21.2665 -21.2665 -14.1291 -14.1291 -13.5070 -13.5070 -13.4061 -13.4061 14.1144 14.1144 15.4303 15.4303 15.7625 15.7625 17.8432 17.8432 17.9524 17.9524 18.6410 18.6410 19.7556 19.7556 21.0070 21.0070 21.0811 21.0811 21.6015 21.6015 k = 0.0000 0.3077-0.0000 ( 2336 PWs) bands (ev): -51.9272 -51.9272 -37.4716 -37.4716 -24.4885 -24.4885 -21.3490 -21.3490 -21.2657 -21.2657 -14.1323 -14.1323 -13.5112 -13.5112 -13.4063 -13.4063 14.2002 14.2002 15.4769 15.4769 15.8191 15.8191 17.8362 17.8362 17.9466 17.9466 18.6693 18.6693 19.6840 19.6840 20.9443 20.9443 21.0176 21.0176 21.6161 21.6161 k = 0.0000 0.3173-0.0000 ( 2340 PWs) bands (ev): -51.9269 -51.9269 -37.4711 -37.4711 -24.4894 -24.4894 -21.3516 -21.3516 -21.2650 -21.2650 -14.1353 -14.1353 -13.5153 -13.5153 -13.4066 -13.4066 14.2857 14.2857 15.5240 15.5240 15.8752 15.8752 17.8295 17.8295 17.9411 17.9411 18.6976 18.6976 19.6126 19.6126 20.8839 20.8839 20.9563 20.9563 21.6292 21.6292 k = 0.0000 0.3269-0.0000 ( 2340 PWs) bands (ev): -51.9265 -51.9265 -37.4707 -37.4707 -24.4902 -24.4902 -21.3542 -21.3542 -21.2642 -21.2642 -14.1384 -14.1384 -13.5192 -13.5192 -13.4068 -13.4068 14.3707 14.3707 15.5713 15.5713 15.9306 15.9306 17.8231 17.8231 17.9360 17.9360 18.7258 18.7258 19.5417 19.5417 20.8258 20.8258 20.8973 20.8973 21.6406 21.6406 k = 0.0000 0.3365-0.0000 ( 2340 PWs) bands (ev): -51.9262 -51.9262 -37.4703 -37.4703 -24.4911 -24.4911 -21.3566 -21.3566 -21.2635 -21.2635 -14.1413 -14.1413 -13.5229 -13.5229 -13.4071 -13.4071 14.4547 14.4547 15.6187 15.6187 15.9851 15.9851 17.8170 17.8170 17.9312 17.9312 18.7538 18.7538 19.4716 19.4716 20.7701 20.7701 20.8408 20.8408 21.6502 21.6502 k = 0.0000 0.3462-0.0000 ( 2352 PWs) bands (ev): -51.9258 -51.9258 -37.4698 -37.4698 -24.4919 -24.4919 -21.3590 -21.3590 -21.2629 -21.2629 -14.1442 -14.1442 -13.5265 -13.5265 -13.4073 -13.4073 14.5373 14.5373 15.6660 15.6660 16.0385 16.0385 17.8113 17.8113 17.9267 17.9267 18.7813 18.7813 19.4025 19.4025 20.7170 20.7170 20.7868 20.7868 21.6577 21.6577 k = 0.0000 0.3558-0.0000 ( 2352 PWs) bands (ev): -51.9255 -51.9255 -37.4695 -37.4695 -24.4927 -24.4927 -21.3613 -21.3613 -21.2623 -21.2623 -14.1470 -14.1470 -13.5299 -13.5299 -13.4075 -13.4075 14.6182 14.6182 15.7130 15.7130 16.0905 16.0905 17.8059 17.8059 17.9226 17.9226 18.8083 18.8083 19.3348 19.3348 20.6666 20.6666 20.7356 20.7356 21.6630 21.6630 k = 0.0000 0.3654-0.0000 ( 2352 PWs) bands (ev): -51.9252 -51.9252 -37.4691 -37.4691 -24.4934 -24.4934 -21.3635 -21.3635 -21.2617 -21.2617 -14.1497 -14.1497 -13.5331 -13.5331 -13.4077 -13.4077 14.6968 14.6968 15.7593 15.7593 16.1410 16.1410 17.8009 17.8009 17.9188 17.9188 18.8344 18.8344 19.2689 19.2689 20.6190 20.6190 20.6870 20.6870 21.6659 21.6659 k = 0.0000 0.3750-0.0000 ( 2348 PWs) bands (ev): -51.9249 -51.9249 -37.4687 -37.4687 -24.4941 -24.4941 -21.3655 -21.3655 -21.2610 -21.2610 -14.1523 -14.1523 -13.5361 -13.5361 -13.4079 -13.4079 14.7728 14.7728 15.8049 15.8049 16.1897 16.1897 17.7962 17.7962 17.9154 17.9154 18.8595 18.8595 19.2051 19.2051 20.5743 20.5743 20.6414 20.6414 21.6665 21.6665 k = 0.0000 0.3846-0.0000 ( 2356 PWs) bands (ev): -51.9247 -51.9247 -37.4684 -37.4684 -24.4948 -24.4948 -21.3675 -21.3675 -21.2605 -21.2605 -14.1547 -14.1547 -13.5389 -13.5389 -13.4081 -13.4081 14.8457 14.8457 15.8493 15.8493 16.2363 16.2363 17.7919 17.7919 17.9124 17.9124 18.8832 18.8832 19.1442 19.1442 20.5325 20.5325 20.5988 20.5988 21.6646 21.6646 k = 0.0000 0.3942-0.0000 ( 2356 PWs) bands (ev): -51.9244 -51.9244 -37.4681 -37.4681 -24.4954 -24.4954 -21.3693 -21.3693 -21.2600 -21.2600 -14.1570 -14.1570 -13.5415 -13.5415 -13.4083 -13.4083 14.9149 14.9149 15.8922 15.8922 16.2807 16.2807 17.7879 17.7879 17.9096 17.9096 18.9046 18.9046 19.0869 19.0869 20.4937 20.4937 20.5591 20.5591 21.6604 21.6604 k = 0.0000 0.4038-0.0000 ( 2356 PWs) bands (ev): -51.9242 -51.9242 -37.4678 -37.4678 -24.4960 -24.4960 -21.3709 -21.3709 -21.2595 -21.2595 -14.1592 -14.1592 -13.5439 -13.5439 -13.4085 -13.4085 14.9802 14.9802 15.9334 15.9334 16.3225 16.3225 17.7843 17.7843 17.9073 17.9073 18.9215 18.9215 19.0359 19.0359 20.4581 20.4581 20.5227 20.5227 21.6540 21.6540 k = 0.0000 0.4135-0.0000 ( 2356 PWs) bands (ev): -51.9240 -51.9240 -37.4675 -37.4675 -24.4965 -24.4965 -21.3724 -21.3724 -21.2590 -21.2590 -14.1612 -14.1612 -13.5461 -13.5461 -13.4086 -13.4086 15.0409 15.0409 15.9724 15.9724 16.3615 16.3615 17.7810 17.7810 17.9052 17.9052 18.9253 18.9253 19.0000 19.0000 20.4257 20.4257 20.4894 20.4894 21.6457 21.6457 k = 0.0000 0.4231-0.0000 ( 2348 PWs) bands (ev): -51.9238 -51.9238 -37.4673 -37.4673 -24.4970 -24.4970 -21.3738 -21.3738 -21.2586 -21.2586 -14.1630 -14.1630 -13.5480 -13.5480 -13.4088 -13.4088 15.0966 15.0966 16.0089 16.0089 16.3975 16.3975 17.7780 17.7780 17.9034 17.9034 18.9017 18.9017 18.9937 18.9937 20.3965 20.3965 20.4595 20.4595 21.6359 21.6359 k = 0.0000 0.4327-0.0000 ( 2356 PWs) bands (ev): -51.9236 -51.9236 -37.4671 -37.4671 -24.4974 -24.4974 -21.3750 -21.3750 -21.2583 -21.2583 -14.1646 -14.1646 -13.5498 -13.5498 -13.4089 -13.4089 15.1469 15.1469 16.0424 16.0424 16.4301 16.4301 17.7753 17.7753 17.9020 17.9020 18.8646 18.8646 19.0035 19.0035 20.3706 20.3706 20.4329 20.4329 21.6208 21.6208 k = 0.0000 0.4423-0.0000 ( 2368 PWs) bands (ev): -51.9235 -51.9235 -37.4669 -37.4669 -24.4979 -24.4979 -21.3762 -21.3762 -21.2580 -21.2580 -14.1660 -14.1660 -13.5513 -13.5513 -13.4090 -13.4090 15.1914 15.1914 16.0726 16.0726 16.4591 16.4591 17.7730 17.7730 17.9007 17.9007 18.8275 18.8275 19.0161 19.0161 20.3480 20.3480 20.4097 20.4097 21.6005 21.6005 k = 0.0000 0.4519-0.0000 ( 2368 PWs) bands (ev): -51.9233 -51.9233 -37.4667 -37.4667 -24.4982 -24.4982 -21.3771 -21.3771 -21.2578 -21.2578 -14.1672 -14.1672 -13.5526 -13.5526 -13.4091 -13.4091 15.2297 15.2297 16.0989 16.0989 16.4842 16.4842 17.7710 17.7710 17.8998 17.8998 18.7940 18.7940 19.0282 19.0282 20.3289 20.3289 20.3900 20.3900 21.5830 21.5830 k = 0.0000 0.4615-0.0000 ( 2368 PWs) bands (ev): -51.9232 -51.9232 -37.4666 -37.4666 -24.4985 -24.4985 -21.3778 -21.3778 -21.2576 -21.2576 -14.1682 -14.1682 -13.5536 -13.5536 -13.4092 -13.4092 15.2616 15.2616 16.1212 16.1212 16.5052 16.5052 17.7694 17.7694 17.8990 17.8990 18.7656 18.7656 19.0386 19.0386 20.3132 20.3132 20.3738 20.3738 21.5685 21.5685 k = 0.0000 0.4712-0.0000 ( 2368 PWs) bands (ev): -51.9231 -51.9231 -37.4665 -37.4665 -24.4987 -24.4987 -21.3784 -21.3784 -21.2574 -21.2574 -14.1690 -14.1690 -13.5544 -13.5544 -13.4092 -13.4092 15.2866 15.2866 16.1389 16.1389 16.5218 16.5218 17.7681 17.7681 17.8984 17.8984 18.7429 18.7429 19.0470 19.0470 20.3009 20.3009 20.3611 20.3611 21.5571 21.5571 k = 0.0000 0.4808-0.0000 ( 2368 PWs) bands (ev): -51.9231 -51.9231 -37.4664 -37.4664 -24.4988 -24.4988 -21.3788 -21.3788 -21.2573 -21.2573 -14.1696 -14.1696 -13.5550 -13.5550 -13.4093 -13.4093 15.3046 15.3046 16.1517 16.1517 16.5337 16.5337 17.7672 17.7672 17.8981 17.8981 18.7264 18.7264 19.0531 19.0531 20.2922 20.2922 20.3521 20.3521 21.5489 21.5489 k = 0.0000 0.4904-0.0000 ( 2360 PWs) bands (ev): -51.9230 -51.9230 -37.4664 -37.4664 -24.4989 -24.4989 -21.3790 -21.3790 -21.2572 -21.2572 -14.1699 -14.1699 -13.5554 -13.5554 -13.4093 -13.4093 15.3155 15.3155 16.1596 16.1596 16.5410 16.5410 17.7666 17.7666 17.8978 17.8978 18.7164 18.7164 19.0568 19.0568 20.2869 20.2869 20.3467 20.3467 21.5439 21.5439 k = 0.0000 0.5000-0.0000 ( 2360 PWs) bands (ev): -51.9230 -51.9230 -37.4664 -37.4664 -24.4989 -24.4989 -21.3791 -21.3791 -21.2571 -21.2571 -14.1700 -14.1700 -13.5555 -13.5555 -13.4093 -13.4093 15.3192 15.3192 16.1622 16.1622 16.5434 16.5434 17.7664 17.7664 17.8978 17.8978 18.7130 18.7130 19.0581 19.0581 20.2852 20.2852 20.3449 20.3449 21.5422 21.5422 k = 0.0000 0.5000-0.0000 ( 2360 PWs) bands (ev): -51.9230 -51.9230 -37.4664 -37.4664 -24.4989 -24.4989 -21.3791 -21.3791 -21.2571 -21.2571 -14.1700 -14.1700 -13.5555 -13.5555 -13.4093 -13.4093 15.3192 15.3192 16.1622 16.1622 16.5434 16.5434 17.7664 17.7664 17.8978 17.8978 18.7130 18.7130 19.0581 19.0581 20.2852 20.2852 20.3449 20.3449 21.5422 21.5422 k = 0.0096 0.5000-0.0000 ( 2360 PWs) bands (ev): -51.9230 -51.9230 -37.4664 -37.4664 -24.4989 -24.4989 -21.3791 -21.3791 -21.2572 -21.2572 -14.1700 -14.1700 -13.5555 -13.5555 -13.4094 -13.4094 15.3201 15.3201 16.1626 16.1626 16.5408 16.5408 17.7653 17.7653 17.8959 17.8959 18.7194 18.7194 19.0503 19.0503 20.2893 20.2893 20.3489 20.3489 21.5440 21.5440 k = 0.0192 0.5000-0.0000 ( 2368 PWs) bands (ev): -51.9230 -51.9230 -37.4663 -37.4663 -24.4991 -24.4991 -21.3793 -21.3793 -21.2575 -21.2575 -14.1700 -14.1700 -13.5555 -13.5555 -13.4096 -13.4096 15.3229 15.3229 16.1639 16.1639 16.5327 16.5327 17.7620 17.7620 17.8906 17.8906 18.7381 18.7381 19.0278 19.0278 20.2983 20.2983 20.3640 20.3640 21.5490 21.5490 k = 0.0288 0.5000-0.0000 ( 2368 PWs) bands (ev): -51.9229 -51.9229 -37.4662 -37.4662 -24.4993 -24.4993 -21.3795 -21.3795 -21.2579 -21.2579 -14.1699 -14.1699 -13.5555 -13.5555 -13.4099 -13.4099 15.3274 15.3274 16.1662 16.1662 16.5192 16.5192 17.7569 17.7569 17.8826 17.8826 18.7680 18.7680 18.9923 18.9923 20.3059 20.3059 20.3947 20.3947 21.5572 21.5572 k = 0.0385 0.5000-0.0000 ( 2368 PWs) bands (ev): -51.9229 -51.9229 -37.4660 -37.4660 -24.4996 -24.4996 -21.3798 -21.3798 -21.2585 -21.2585 -14.1699 -14.1699 -13.5556 -13.5556 -13.4104 -13.4104 15.3334 15.3334 16.1697 16.1697 16.5003 16.5003 17.7503 17.7503 17.8727 17.8727 18.8071 18.8071 18.9466 18.9466 20.3102 20.3102 20.4406 20.4406 21.5681 21.5681 k = 0.0481 0.5000-0.0000 ( 2372 PWs) bands (ev): -51.9228 -51.9228 -37.4658 -37.4658 -24.5000 -24.5000 -21.3802 -21.3802 -21.2593 -21.2593 -14.1698 -14.1698 -13.5557 -13.5557 -13.4110 -13.4110 15.3407 15.3407 16.1746 16.1746 16.4762 16.4762 17.7425 17.7425 17.8625 17.8625 18.8466 18.8466 18.9003 18.9003 20.3126 20.3126 20.4983 20.4983 21.5813 21.5813 k = 0.0577 0.5000-0.0000 ( 2368 PWs) bands (ev): -51.9226 -51.9226 -37.4656 -37.4656 -24.5004 -24.5004 -21.3806 -21.3806 -21.2602 -21.2602 -14.1697 -14.1697 -13.5557 -13.5557 -13.4117 -13.4117 15.3489 15.3489 16.1813 16.1813 16.4469 16.4469 17.7329 17.7329 17.8538 17.8538 18.8177 18.8177 18.9229 18.9229 20.3142 20.3142 20.5646 20.5646 21.5964 21.5964 k = 0.0673 0.5000-0.0000 ( 2364 PWs) bands (ev): -51.9225 -51.9225 -37.4653 -37.4653 -24.5010 -24.5010 -21.3812 -21.3812 -21.2612 -21.2612 -14.1696 -14.1696 -13.5558 -13.5558 -13.4126 -13.4126 15.3577 15.3577 16.1902 16.1902 16.4126 16.4126 17.7207 17.7207 17.8488 17.8488 18.7526 18.7526 18.9824 18.9824 20.3154 20.3154 20.6374 20.6374 21.6131 21.6131 k = 0.0769 0.5000-0.0000 ( 2356 PWs) bands (ev): -51.9223 -51.9223 -37.4649 -37.4649 -24.5015 -24.5015 -21.3818 -21.3818 -21.2624 -21.2624 -14.1694 -14.1694 -13.5560 -13.5560 -13.4135 -13.4135 15.3666 15.3666 16.2017 16.2017 16.3739 16.3739 17.7046 17.7046 17.8494 17.8494 18.6816 18.6816 19.0491 19.0491 20.3165 20.3165 20.7150 20.7150 21.6314 21.6314 k = 0.0865 0.5000-0.0000 ( 2352 PWs) bands (ev): -51.9222 -51.9222 -37.4646 -37.4646 -24.5022 -24.5022 -21.3825 -21.3825 -21.2637 -21.2637 -14.1693 -14.1693 -13.5561 -13.5561 -13.4146 -13.4146 15.3751 15.3751 16.2158 16.2158 16.3316 16.3316 17.6842 17.6842 17.8570 17.8570 18.6074 18.6074 19.1201 19.1201 20.3177 20.3177 20.7962 20.7962 21.6511 21.6511 k = 0.0962 0.5000-0.0000 ( 2356 PWs) bands (ev): -51.9220 -51.9220 -37.4642 -37.4642 -24.5030 -24.5030 -21.3833 -21.3833 -21.2652 -21.2652 -14.1692 -14.1692 -13.5563 -13.5563 -13.4157 -13.4157 15.3826 15.3826 16.2305 16.2305 16.2886 16.2886 17.6597 17.6597 17.8717 17.8717 18.5312 18.5312 19.1945 19.1945 20.3190 20.3190 20.8800 20.8800 21.6722 21.6722 k = 0.1058 0.5000-0.0000 ( 2348 PWs) bands (ev): -51.9217 -51.9217 -37.4637 -37.4637 -24.5038 -24.5038 -21.3842 -21.3842 -21.2667 -21.2667 -14.1690 -14.1690 -13.5566 -13.5566 -13.4169 -13.4169 15.3887 15.3887 16.2201 16.2201 16.2718 16.2718 17.6318 17.6318 17.8933 17.8933 18.4537 18.4537 19.2714 19.2714 20.3205 20.3205 20.9658 20.9658 21.6943 21.6943 k = 0.1154 0.5000-0.0000 ( 2346 PWs) bands (ev): -51.9215 -51.9215 -37.4632 -37.4632 -24.5047 -24.5047 -21.3853 -21.3853 -21.2683 -21.2683 -14.1689 -14.1689 -13.5568 -13.5568 -13.4182 -13.4182 15.3930 15.3930 16.1725 16.1725 16.2941 16.2941 17.6011 17.6011 17.9212 17.9212 18.3756 18.3756 19.3502 19.3502 20.3223 20.3223 21.0529 21.0529 21.7175 21.7175 k = 0.1250 0.5000-0.0000 ( 2346 PWs) bands (ev): -51.9213 -51.9213 -37.4627 -37.4627 -24.5057 -24.5057 -21.3864 -21.3864 -21.2700 -21.2700 -14.1687 -14.1687 -13.5572 -13.5572 -13.4195 -13.4195 15.3951 15.3951 16.1179 16.1179 16.3264 16.3264 17.5680 17.5680 17.9551 17.9551 18.2973 18.2973 19.4306 19.4306 20.3244 20.3244 21.1409 21.1409 21.7414 21.7414 k = 0.1346 0.5000-0.0000 ( 2342 PWs) bands (ev): -51.9210 -51.9210 -37.4622 -37.4622 -24.5067 -24.5067 -21.3876 -21.3876 -21.2718 -21.2718 -14.1686 -14.1686 -13.5575 -13.5575 -13.4209 -13.4209 15.3948 15.3948 16.0604 16.0604 16.3652 16.3652 17.5331 17.5331 17.9945 17.9945 18.2194 18.2194 19.5120 19.5120 20.3269 20.3269 21.2293 21.2293 21.7659 21.7659 k = 0.1442 0.5000-0.0000 ( 2348 PWs) bands (ev): -51.9207 -51.9207 -37.4616 -37.4616 -24.5078 -24.5078 -21.3890 -21.3890 -21.2737 -21.2737 -14.1685 -14.1685 -13.5580 -13.5580 -13.4222 -13.4222 15.3918 15.3918 16.0013 16.0013 16.4099 16.4099 17.4966 17.4966 18.0382 18.0382 18.1427 18.1427 19.5940 19.5940 20.3298 20.3298 21.3180 21.3180 21.7907 21.7907 k = 0.1538 0.5000-0.0000 ( 2346 PWs) bands (ev): -51.9204 -51.9204 -37.4610 -37.4610 -24.5090 -24.5090 -21.3905 -21.3905 -21.2756 -21.2756 -14.1683 -14.1683 -13.5585 -13.5585 -13.4236 -13.4236 15.3863 15.3863 15.9409 15.9409 16.4606 16.4606 17.4589 17.4589 18.0569 18.0569 18.0968 18.0968 19.6764 19.6764 20.3330 20.3330 21.4065 21.4065 21.8156 21.8156 k = 0.1635 0.5000-0.0000 ( 2354 PWs) bands (ev): -51.9201 -51.9201 -37.4603 -37.4603 -24.5102 -24.5102 -21.3921 -21.3921 -21.2775 -21.2775 -14.1682 -14.1682 -13.5590 -13.5590 -13.4250 -13.4250 15.3783 15.3783 15.8797 15.8797 16.5171 16.5171 17.4202 17.4202 17.9857 17.9857 18.1463 18.1463 19.7588 19.7588 20.3368 20.3368 21.4946 21.4946 21.8404 21.8404 k = 0.1731 0.5000-0.0000 ( 2354 PWs) bands (ev): -51.9198 -51.9198 -37.4597 -37.4597 -24.5115 -24.5115 -21.3938 -21.3938 -21.2794 -21.2794 -14.1682 -14.1682 -13.5597 -13.5597 -13.4263 -13.4263 15.3679 15.3679 15.8182 15.8182 16.5792 16.5792 17.3808 17.3808 17.9111 17.9111 18.2048 18.2048 19.8411 19.8411 20.3409 20.3409 21.5821 21.5821 21.8648 21.8648 k = 0.1827 0.5000-0.0000 ( 2350 PWs) bands (ev): -51.9195 -51.9195 -37.4590 -37.4590 -24.5127 -24.5127 -21.3956 -21.3956 -21.2813 -21.2813 -14.1681 -14.1681 -13.5604 -13.5604 -13.4276 -13.4276 15.3553 15.3553 15.7565 15.7565 16.6468 16.6468 17.3409 17.3409 17.8373 17.8373 18.2679 18.2679 19.9228 19.9228 20.3456 20.3456 21.6688 21.6688 21.8885 21.8885 k = 0.1923 0.5000-0.0000 ( 2354 PWs) bands (ev): -51.9191 -51.9191 -37.4583 -37.4583 -24.5141 -24.5141 -21.3975 -21.3975 -21.2832 -21.2832 -14.1681 -14.1681 -13.5611 -13.5611 -13.4289 -13.4289 15.3408 15.3408 15.6950 15.6950 16.7195 16.7195 17.3006 17.3006 17.7649 17.7649 18.3351 18.3351 20.0037 20.0037 20.3509 20.3509 21.7545 21.7545 21.9114 21.9114 k = 0.2019 0.5000-0.0000 ( 2350 PWs) bands (ev): -51.9188 -51.9188 -37.4576 -37.4576 -24.5154 -24.5154 -21.3996 -21.3996 -21.2850 -21.2850 -14.1680 -14.1680 -13.5620 -13.5620 -13.4301 -13.4301 15.3246 15.3246 15.6339 15.6339 16.7972 16.7972 17.2602 17.2602 17.6941 17.6941 18.4062 18.4062 20.0836 20.0836 20.3568 20.3568 21.8390 21.8390 21.9332 21.9332 k = 0.2115 0.5000-0.0000 ( 2354 PWs) bands (ev): -51.9184 -51.9184 -37.4568 -37.4568 -24.5169 -24.5169 -21.4018 -21.4018 -21.2868 -21.2868 -14.1681 -14.1681 -13.5629 -13.5629 -13.4313 -13.4313 15.3069 15.3069 15.5734 15.5734 16.8793 16.8793 17.2198 17.2198 17.6250 17.6250 18.4808 18.4808 20.1617 20.1617 20.3638 20.3638 21.9214 21.9214 21.9543 21.9543 k = 0.2212 0.5000-0.0000 ( 2354 PWs) bands (ev): -51.9181 -51.9181 -37.4561 -37.4561 -24.5183 -24.5183 -21.4040 -21.4040 -21.2886 -21.2886 -14.1681 -14.1681 -13.5639 -13.5639 -13.4323 -13.4323 15.2880 15.2880 15.5137 15.5137 16.9653 16.9653 17.1798 17.1798 17.5581 17.5581 18.5590 18.5590 20.2371 20.2371 20.3728 20.3728 21.9700 21.9700 22.0060 22.0060 k = 0.2308 0.5000-0.0000 ( 2354 PWs) bands (ev): -51.9177 -51.9177 -37.4553 -37.4553 -24.5197 -24.5197 -21.4064 -21.4064 -21.2903 -21.2903 -14.1682 -14.1682 -13.5649 -13.5649 -13.4333 -13.4333 15.2681 15.2681 15.4550 15.4550 17.0535 17.0535 17.1412 17.1412 17.4940 17.4940 18.6403 18.6403 20.3055 20.3055 20.3878 20.3878 21.9872 21.9872 22.0855 22.0855 k = 0.2404 0.5000-0.0000 ( 2356 PWs) bands (ev): -51.9173 -51.9173 -37.4546 -37.4546 -24.5212 -24.5212 -21.4088 -21.4088 -21.2920 -21.2920 -14.1683 -14.1683 -13.5661 -13.5661 -13.4342 -13.4342 15.2474 15.2474 15.3975 15.3975 17.0949 17.0949 17.1510 17.1510 17.4346 17.4346 18.7247 18.7247 20.3515 20.3515 20.4240 20.4240 22.0015 22.0015 22.1640 22.1640 k = 0.2500 0.5000-0.0000 ( 2356 PWs) bands (ev): -51.9170 -51.9170 -37.4538 -37.4538 -24.5226 -24.5226 -21.4113 -21.4113 -21.2936 -21.2936 -14.1684 -14.1684 -13.5672 -13.5672 -13.4351 -13.4351 15.2260 15.2260 15.3412 15.3412 17.0585 17.0585 17.2310 17.2310 17.3889 17.3889 18.8119 18.8119 20.3710 20.3710 20.4853 20.4853 22.0130 22.0130 22.2407 22.2407 k = 0.2596 0.5000-0.0000 ( 2356 PWs) bands (ev): -51.9166 -51.9166 -37.4531 -37.4531 -24.5241 -24.5241 -21.4139 -21.4139 -21.2951 -21.2951 -14.1686 -14.1686 -13.5685 -13.5685 -13.4358 -13.4358 15.2043 15.2043 15.2863 15.2863 17.0204 17.0204 17.2583 17.2583 17.4041 17.4041 18.9017 18.9017 20.3821 20.3821 20.5536 20.5536 22.0217 22.0217 22.3155 22.3155 k = 0.2692 0.5000-0.0000 ( 2352 PWs) bands (ev): -51.9162 -51.9162 -37.4523 -37.4523 -24.5255 -24.5255 -21.4165 -21.4165 -21.2965 -21.2965 -14.1688 -14.1688 -13.5698 -13.5698 -13.4365 -13.4365 15.1822 15.1822 15.2330 15.2330 16.9827 16.9827 17.2207 17.2207 17.4899 17.4899 18.9940 18.9940 20.3910 20.3910 20.6223 20.6223 22.0272 22.0272 22.3882 22.3882 k = 0.2788 0.5000-0.0000 ( 2352 PWs) bands (ev): -51.9159 -51.9159 -37.4516 -37.4516 -24.5270 -24.5270 -21.4192 -21.4192 -21.2978 -21.2978 -14.1690 -14.1690 -13.5711 -13.5711 -13.4370 -13.4370 15.1598 15.1598 15.1815 15.1815 16.9457 16.9457 17.1701 17.1701 17.5942 17.5942 19.0886 19.0886 20.3992 20.3992 20.6899 20.6899 22.0292 22.0292 22.4588 22.4588 k = 0.2885 0.5000-0.0000 ( 2352 PWs) bands (ev): -51.9155 -51.9155 -37.4508 -37.4508 -24.5284 -24.5284 -21.4219 -21.4219 -21.2991 -21.2991 -14.1693 -14.1693 -13.5724 -13.5724 -13.4375 -13.4375 15.1291 15.1291 15.1400 15.1400 16.9096 16.9096 17.1181 17.1181 17.7049 17.7049 19.1851 19.1851 20.4071 20.4071 20.7558 20.7558 22.0275 22.0275 22.5271 22.5271 k = 0.2981 0.5000-0.0000 ( 2348 PWs) bands (ev): -51.9152 -51.9152 -37.4501 -37.4501 -24.5298 -24.5298 -21.4245 -21.4245 -21.3003 -21.3003 -14.1696 -14.1696 -13.5738 -13.5738 -13.4379 -13.4379 15.0818 15.0818 15.1171 15.1171 16.8745 16.8745 17.0672 17.0672 17.8197 17.8197 19.2835 19.2835 20.4149 20.4149 20.8197 20.8197 22.0218 22.0218 22.5930 22.5930 k = 0.3077 0.5000-0.0000 ( 2348 PWs) bands (ev): -51.9148 -51.9148 -37.4494 -37.4494 -24.5312 -24.5312 -21.4273 -21.4273 -21.3014 -21.3014 -14.1699 -14.1699 -13.5751 -13.5751 -13.4382 -13.4382 15.0354 15.0354 15.0955 15.0955 16.8404 16.8404 17.0179 17.0179 17.9377 17.9377 19.3835 19.3835 20.4226 20.4226 20.8813 20.8813 22.0119 22.0119 22.6564 22.6564 k = 0.3173 0.5000-0.0000 ( 2344 PWs) bands (ev): -51.9145 -51.9145 -37.4487 -37.4487 -24.5325 -24.5325 -21.4299 -21.4299 -21.3024 -21.3024 -14.1702 -14.1702 -13.5765 -13.5765 -13.4385 -13.4385 14.9908 14.9908 15.0743 15.0743 16.8073 16.8073 16.9707 16.9707 18.0582 18.0582 19.4848 19.4848 20.4303 20.4303 20.9407 20.9407 21.9974 21.9974 22.7172 22.7172 k = 0.3269 0.5000-0.0000 ( 2348 PWs) bands (ev): -51.9141 -51.9141 -37.4480 -37.4480 -24.5339 -24.5339 -21.4326 -21.4326 -21.3034 -21.3034 -14.1706 -14.1706 -13.5779 -13.5779 -13.4387 -13.4387 14.9481 14.9481 15.0538 15.0538 16.7755 16.7755 16.9256 16.9256 18.1809 18.1809 19.5872 19.5872 20.4379 20.4379 20.9975 20.9975 21.9783 21.9783 22.7752 22.7752 k = 0.3365 0.5000-0.0000 ( 2360 PWs) bands (ev): -51.9138 -51.9138 -37.4473 -37.4473 -24.5352 -24.5352 -21.4353 -21.4353 -21.3043 -21.3043 -14.1710 -14.1710 -13.5792 -13.5792 -13.4388 -13.4388 14.9074 14.9074 15.0338 15.0338 16.7448 16.7448 16.8829 16.8829 18.3056 18.3056 19.6904 19.6904 20.4454 20.4454 21.0518 21.0518 21.9543 21.9543 22.8303 22.8303 k = 0.3462 0.5000-0.0000 ( 2356 PWs) bands (ev): -51.9135 -51.9135 -37.4467 -37.4467 -24.5365 -24.5365 -21.4378 -21.4378 -21.3051 -21.3051 -14.1714 -14.1714 -13.5805 -13.5805 -13.4389 -13.4389 14.8688 14.8688 15.0146 15.0146 16.7155 16.7155 16.8426 16.8426 18.4318 18.4318 19.7940 19.7940 20.4527 20.4527 21.1033 21.1033 21.9253 21.9253 22.8822 22.8822 k = 0.3558 0.5000-0.0000 ( 2348 PWs) bands (ev): -51.9132 -51.9132 -37.4461 -37.4461 -24.5376 -24.5376 -21.4403 -21.4403 -21.3058 -21.3058 -14.1717 -14.1717 -13.5818 -13.5818 -13.4389 -13.4389 14.8323 14.8323 14.9961 14.9961 16.6874 16.6874 16.8047 16.8047 18.5592 18.5592 19.8978 19.8978 20.4600 20.4600 21.1521 21.1521 21.8912 21.8912 22.9303 22.9303 k = 0.3654 0.5000-0.0000 ( 2356 PWs) bands (ev): -51.9129 -51.9129 -37.4455 -37.4455 -24.5388 -24.5388 -21.4427 -21.4427 -21.3065 -21.3065 -14.1721 -14.1721 -13.5830 -13.5830 -13.4390 -13.4390 14.7980 14.7980 14.9785 14.9785 16.6607 16.6607 16.7693 16.7693 18.6875 18.6875 20.0013 20.0013 20.4671 20.4671 21.1980 21.1980 21.8518 21.8518 22.9702 22.9702 k = 0.3750 0.5000-0.0000 ( 2352 PWs) bands (ev): -51.9127 -51.9127 -37.4449 -37.4449 -24.5399 -24.5399 -21.4450 -21.4450 -21.3072 -21.3072 -14.1725 -14.1725 -13.5842 -13.5842 -13.4389 -13.4389 14.7658 14.7658 14.9619 14.9619 16.6354 16.6354 16.7365 16.7365 18.8163 18.8163 20.1042 20.1042 20.4741 20.4741 21.2410 21.2410 21.8072 21.8072 22.9699 22.9699 k = 0.3846 0.5000-0.0000 ( 2356 PWs) bands (ev): -51.9124 -51.9124 -37.4444 -37.4444 -24.5409 -24.5409 -21.4472 -21.4472 -21.3077 -21.3077 -14.1729 -14.1729 -13.5853 -13.5853 -13.4389 -13.4389 14.7360 14.7360 14.9462 14.9462 16.6115 16.6115 16.7062 16.7062 18.9452 18.9452 20.2058 20.2058 20.4810 20.4810 21.2809 21.2809 21.7576 21.7576 22.9331 22.9331 k = 0.3942 0.5000-0.0000 ( 2356 PWs) bands (ev): -51.9122 -51.9122 -37.4439 -37.4439 -24.5419 -24.5419 -21.4492 -21.4492 -21.3083 -21.3083 -14.1733 -14.1733 -13.5863 -13.5863 -13.4388 -13.4388 14.7084 14.7084 14.9316 14.9316 16.5892 16.5892 16.6786 16.6786 19.0736 19.0736 20.3057 20.3057 20.4878 20.4878 21.3176 21.3176 21.7030 21.7030 22.8898 22.8898 k = 0.4038 0.5000-0.0000 ( 2360 PWs) bands (ev): -51.9120 -51.9120 -37.4435 -37.4435 -24.5428 -24.5428 -21.4511 -21.4511 -21.3087 -21.3087 -14.1736 -14.1736 -13.5873 -13.5873 -13.4387 -13.4387 14.6831 14.6831 14.9181 14.9181 16.5683 16.5683 16.6535 16.6535 19.2011 19.2011 20.4032 20.4032 20.4945 20.4945 21.3509 21.3509 21.6440 21.6440 22.8438 22.8438 k = 0.4135 0.5000-0.0000 ( 2356 PWs) bands (ev): -51.9118 -51.9118 -37.4431 -37.4431 -24.5436 -24.5436 -21.4528 -21.4528 -21.3091 -21.3091 -14.1740 -14.1740 -13.5882 -13.5882 -13.4386 -13.4386 14.6601 14.6601 14.9058 14.9058 16.5492 16.5492 16.6310 16.6310 19.3269 19.3269 20.4963 20.4963 20.5025 20.5025 21.3802 21.3802 21.5814 21.5814 22.7964 22.7964 k = 0.4231 0.5000-0.0000 ( 2364 PWs) bands (ev): -51.9116 -51.9116 -37.4427 -37.4427 -24.5444 -24.5444 -21.4544 -21.4544 -21.3096 -21.3096 -14.1743 -14.1743 -13.5890 -13.5890 -13.4385 -13.4385 14.6395 14.6395 14.8946 14.8946 16.5317 16.5317 16.6110 16.6110 19.4501 19.4501 20.5081 20.5081 20.5876 20.5876 21.4038 21.4038 21.5175 21.5175 22.7482 22.7482 k = 0.4327 0.5000-0.0000 ( 2364 PWs) bands (ev): -51.9114 -51.9114 -37.4423 -37.4423 -24.5450 -24.5450 -21.4559 -21.4559 -21.3099 -21.3099 -14.1746 -14.1746 -13.5897 -13.5897 -13.4384 -13.4384 14.6212 14.6212 14.8847 14.8847 16.5161 16.5161 16.5936 16.5936 19.5698 19.5698 20.5156 20.5156 20.6721 20.6721 21.4065 21.4065 21.4683 21.4683 22.7003 22.7003 k = 0.4423 0.5000-0.0000 ( 2358 PWs) bands (ev): -51.9113 -51.9113 -37.4421 -37.4421 -24.5456 -24.5456 -21.4571 -21.4571 -21.3101 -21.3101 -14.1749 -14.1749 -13.5904 -13.5904 -13.4383 -13.4383 14.6054 14.6054 14.8760 14.8760 16.5023 16.5023 16.5786 16.5786 19.6843 19.6843 20.5237 20.5237 20.7496 20.7496 21.3556 21.3556 21.4680 21.4680 22.6537 22.6537 k = 0.4519 0.5000-0.0000 ( 2362 PWs) bands (ev): -51.9112 -51.9112 -37.4418 -37.4418 -24.5461 -24.5461 -21.4582 -21.4582 -21.3104 -21.3104 -14.1751 -14.1751 -13.5909 -13.5909 -13.4382 -13.4382 14.5920 14.5920 14.8687 14.8687 16.4905 16.4905 16.5660 16.5660 19.7918 19.7918 20.5331 20.5331 20.8176 20.8176 21.2878 21.2878 21.4818 21.4818 22.6097 22.6097 k = 0.4615 0.5000-0.0000 ( 2358 PWs) bands (ev): -51.9111 -51.9111 -37.4416 -37.4416 -24.5465 -24.5465 -21.4590 -21.4590 -21.3105 -21.3105 -14.1753 -14.1753 -13.5914 -13.5914 -13.4382 -13.4382 14.5809 14.5809 14.8626 14.8626 16.4808 16.4808 16.5558 16.5558 19.8894 19.8894 20.5443 20.5443 20.8730 20.8730 21.2217 21.2217 21.4949 21.4949 22.5700 22.5700 k = 0.4712 0.5000-0.0000 ( 2362 PWs) bands (ev): -51.9110 -51.9110 -37.4414 -37.4414 -24.5468 -24.5468 -21.4598 -21.4598 -21.3107 -21.3107 -14.1754 -14.1754 -13.5917 -13.5917 -13.4381 -13.4381 14.5724 14.5724 14.8578 14.8578 16.4731 16.4731 16.5479 16.5479 19.9732 19.9732 20.5577 20.5577 20.9105 20.9105 21.1657 21.1657 21.5056 21.5056 22.5364 22.5364 k = 0.4808 0.5000-0.0000 ( 2360 PWs) bands (ev): -51.9109 -51.9109 -37.4413 -37.4413 -24.5470 -24.5470 -21.4602 -21.4602 -21.3108 -21.3108 -14.1755 -14.1755 -13.5920 -13.5920 -13.4380 -13.4380 14.5662 14.5662 14.8544 14.8544 16.4676 16.4676 16.5422 16.5422 20.0384 20.0384 20.5728 20.5728 20.9247 20.9247 21.1292 21.1292 21.5133 21.5133 22.5106 22.5106 k = 0.4904 0.5000-0.0000 ( 2360 PWs) bands (ev): -51.9109 -51.9109 -37.4413 -37.4413 -24.5472 -24.5472 -21.4605 -21.4605 -21.3108 -21.3108 -14.1756 -14.1756 -13.5921 -13.5921 -13.4380 -13.4380 14.5626 14.5626 14.8524 14.8524 16.4643 16.4643 16.5389 16.5389 20.0802 20.0802 20.5863 20.5863 20.9199 20.9199 21.1145 21.1145 21.5179 21.5179 22.4944 22.4944 k = 0.5000 0.5000-0.0000 ( 2360 PWs) bands (ev): -51.9109 -51.9109 -37.4412 -37.4412 -24.5472 -24.5472 -21.4606 -21.4606 -21.3109 -21.3109 -14.1756 -14.1756 -13.5922 -13.5922 -13.4380 -13.4380 14.5613 14.5613 14.8517 14.8517 16.4632 16.4632 16.5377 16.5377 20.0945 20.0945 20.5920 20.5920 20.9146 20.9146 21.1116 21.1116 21.5195 21.5195 22.4888 22.4888 k = 0.5000 0.5000-0.0000 ( 2360 PWs) bands (ev): -51.9109 -51.9109 -37.4412 -37.4412 -24.5472 -24.5472 -21.4606 -21.4606 -21.3109 -21.3109 -14.1756 -14.1756 -13.5922 -13.5922 -13.4380 -13.4380 14.5613 14.5613 14.8517 14.8517 16.4632 16.4632 16.5377 16.5377 20.0945 20.0945 20.5920 20.5920 20.9146 20.9146 21.1116 21.1116 21.5195 21.5195 22.4888 22.4888 k = 0.4932 0.4932-0.0000 ( 2360 PWs) bands (ev): -51.9109 -51.9109 -37.4413 -37.4413 -24.5472 -24.5472 -21.4605 -21.4605 -21.3108 -21.3108 -14.1756 -14.1756 -13.5921 -13.5921 -13.4380 -13.4380 14.5626 14.5626 14.8524 14.8524 16.4643 16.4643 16.5389 16.5389 20.0800 20.0800 20.5858 20.5858 20.9207 20.9207 21.1140 21.1140 21.5179 21.5179 22.4945 22.4945 k = 0.4863 0.4863-0.0000 ( 2360 PWs) bands (ev): -51.9109 -51.9109 -37.4413 -37.4413 -24.5470 -24.5470 -21.4602 -21.4602 -21.3108 -21.3108 -14.1755 -14.1755 -13.5920 -13.5920 -13.4381 -13.4381 14.5663 14.5663 14.8545 14.8545 16.4676 16.4676 16.5423 16.5423 20.0385 20.0385 20.5677 20.5677 20.9358 20.9358 21.1218 21.1218 21.5132 21.5132 22.5116 22.5116 k = 0.4795 0.4795-0.0000 ( 2362 PWs) bands (ev): -51.9110 -51.9110 -37.4414 -37.4414 -24.5468 -24.5468 -21.4597 -21.4597 -21.3107 -21.3107 -14.1754 -14.1754 -13.5917 -13.5917 -13.4381 -13.4381 14.5725 14.5725 14.8579 14.8579 16.4731 16.4731 16.5482 16.5482 19.9749 19.9749 20.5383 20.5383 20.9525 20.9525 21.1371 21.1371 21.5055 21.5055 22.5401 22.5401 k = 0.4726 0.4726-0.0000 ( 2366 PWs) bands (ev): -51.9111 -51.9111 -37.4416 -37.4416 -24.5465 -24.5465 -21.4591 -21.4591 -21.3106 -21.3106 -14.1753 -14.1753 -13.5914 -13.5914 -13.4382 -13.4382 14.5810 14.5810 14.8628 14.8628 16.4804 16.4804 16.5567 16.5567 19.8947 19.8947 20.4984 20.4984 20.9639 20.9639 21.1609 21.1609 21.4949 21.4949 22.5801 22.5801 k = 0.4658 0.4658-0.0000 ( 2362 PWs) bands (ev): -51.9112 -51.9112 -37.4418 -37.4418 -24.5461 -24.5461 -21.4581 -21.4581 -21.3104 -21.3104 -14.1751 -14.1751 -13.5909 -13.5909 -13.4382 -13.4382 14.5919 14.5919 14.8690 14.8690 16.4893 16.4893 16.5680 16.5680 19.8025 19.8025 20.4482 20.4482 20.9674 20.9674 21.1911 21.1911 21.4817 21.4817 22.6316 22.6316 k = 0.4589 0.4589-0.0000 ( 2358 PWs) bands (ev): -51.9113 -51.9113 -37.4421 -37.4421 -24.5455 -24.5455 -21.4570 -21.4570 -21.3101 -21.3101 -14.1748 -14.1748 -13.5903 -13.5903 -13.4383 -13.4383 14.6049 14.6049 14.8767 14.8767 16.4997 16.4997 16.5824 16.5824 19.7017 19.7017 20.3885 20.3885 20.9637 20.9637 21.2239 21.2239 21.4661 21.4661 22.6942 22.6942 k = 0.4521 0.4521-0.0000 ( 2346 PWs) bands (ev): -51.9114 -51.9114 -37.4424 -37.4424 -24.5449 -24.5449 -21.4557 -21.4557 -21.3098 -21.3098 -14.1745 -14.1745 -13.5896 -13.5896 -13.4384 -13.4384 14.6200 14.6200 14.8857 14.8857 16.5111 16.5111 16.6001 16.6001 19.5948 19.5948 20.3197 20.3197 20.9544 20.9544 21.2555 21.2555 21.4487 21.4487 22.7674 22.7674 k = 0.4452 0.4452-0.0000 ( 2352 PWs) bands (ev): -51.9116 -51.9116 -37.4427 -37.4427 -24.5442 -24.5442 -21.4542 -21.4542 -21.3095 -21.3095 -14.1742 -14.1742 -13.5889 -13.5889 -13.4385 -13.4385 14.6369 14.6369 14.8963 14.8963 16.5236 16.5236 16.6212 16.6212 19.4834 19.4834 20.2424 20.2424 20.9408 20.9408 21.2832 21.2832 21.4304 21.4304 22.8504 22.8504 k = 0.4384 0.4384-0.0000 ( 2352 PWs) bands (ev): -51.9118 -51.9118 -37.4431 -37.4431 -24.5435 -24.5435 -21.4526 -21.4526 -21.3092 -21.3092 -14.1738 -14.1738 -13.5880 -13.5880 -13.4387 -13.4387 14.6554 14.6554 14.9083 14.9083 16.5369 16.5369 16.6458 16.6458 19.3690 19.3690 20.1575 20.1575 20.9236 20.9236 21.3045 21.3045 21.4126 21.4126 22.9424 22.9424 k = 0.4315 0.4315-0.0000 ( 2358 PWs) bands (ev): -51.9120 -51.9120 -37.4435 -37.4435 -24.5427 -24.5427 -21.4508 -21.4508 -21.3089 -21.3089 -14.1733 -14.1733 -13.5870 -13.5870 -13.4388 -13.4388 14.6752 14.6752 14.9219 14.9219 16.5511 16.5511 16.6738 16.6738 19.2522 19.2522 20.0657 20.0657 20.9034 20.9034 21.3159 21.3159 21.3989 21.3989 23.0329 23.0329 k = 0.4247 0.4247-0.0000 ( 2356 PWs) bands (ev): -51.9122 -51.9122 -37.4440 -37.4440 -24.5418 -24.5418 -21.4487 -21.4487 -21.3085 -21.3085 -14.1728 -14.1728 -13.5859 -13.5859 -13.4389 -13.4389 14.6960 14.6960 14.9372 14.9372 16.5661 16.5661 16.7052 16.7052 19.1340 19.1340 19.9677 19.9677 20.8806 20.8806 21.3132 21.3132 21.3938 21.3938 22.9827 22.9827 k = 0.4178 0.4178-0.0000 ( 2348 PWs) bands (ev): -51.9125 -51.9125 -37.4445 -37.4445 -24.5407 -24.5407 -21.4465 -21.4465 -21.3080 -21.3080 -14.1722 -14.1722 -13.5846 -13.5846 -13.4391 -13.4391 14.7175 14.7175 14.9543 14.9543 16.5820 16.5820 16.7399 16.7399 19.0147 19.0147 19.8644 19.8644 20.8552 20.8552 21.2981 21.2981 21.3964 21.3964 22.9241 22.9241 k = 0.4110 0.4110-0.0000 ( 2348 PWs) bands (ev): -51.9127 -51.9127 -37.4450 -37.4450 -24.5397 -24.5397 -21.4442 -21.4442 -21.3075 -21.3075 -14.1716 -14.1716 -13.5833 -13.5833 -13.4392 -13.4392 14.7390 14.7390 14.9735 14.9735 16.5988 16.5988 16.7777 16.7777 18.8949 18.8949 19.7565 19.7565 20.8277 20.8277 21.2762 21.2762 21.4016 21.4016 22.8616 22.8616 k = 0.4041 0.4041-0.0000 ( 2352 PWs) bands (ev): -51.9130 -51.9130 -37.4456 -37.4456 -24.5385 -24.5385 -21.4417 -21.4417 -21.3071 -21.3071 -14.1710 -14.1710 -13.5819 -13.5819 -13.4393 -13.4393 14.7602 14.7602 14.9947 14.9947 16.6165 16.6165 16.8187 16.8187 18.7749 18.7749 19.6448 19.6448 20.7983 20.7983 21.2512 21.2512 21.4063 21.4063 22.7955 22.7955 k = 0.3973 0.3973-0.0000 ( 2352 PWs) bands (ev): -51.9133 -51.9133 -37.4462 -37.4462 -24.5373 -24.5373 -21.4391 -21.4391 -21.3065 -21.3065 -14.1702 -14.1702 -13.5803 -13.5803 -13.4394 -13.4394 14.7805 14.7805 15.0182 15.0182 16.6353 16.6353 16.8626 16.8626 18.6549 18.6549 19.5302 19.5302 20.7673 20.7673 21.2250 21.2250 21.4095 21.4095 22.7263 22.7263 k = 0.3904 0.3904-0.0000 ( 2352 PWs) bands (ev): -51.9137 -51.9137 -37.4469 -37.4469 -24.5361 -24.5361 -21.4363 -21.4363 -21.3060 -21.3060 -14.1694 -14.1694 -13.5786 -13.5786 -13.4395 -13.4395 14.7994 14.7994 15.0441 15.0441 16.6550 16.6550 16.9094 16.9094 18.5353 18.5353 19.4133 19.4133 20.7350 20.7350 21.1981 21.1981 21.4110 21.4110 22.6542 22.6542 k = 0.3836 0.3836-0.0000 ( 2352 PWs) bands (ev): -51.9140 -51.9140 -37.4475 -37.4475 -24.5347 -24.5347 -21.4334 -21.4334 -21.3054 -21.3054 -14.1685 -14.1685 -13.5768 -13.5768 -13.4396 -13.4396 14.8166 14.8166 15.0722 15.0722 16.6756 16.6756 16.9589 16.9589 18.4161 18.4161 19.2949 19.2949 20.7018 20.7018 21.1710 21.1710 21.4108 21.4108 22.5796 22.5796 k = 0.3767 0.3767-0.0000 ( 2356 PWs) bands (ev): -51.9144 -51.9144 -37.4482 -37.4482 -24.5334 -24.5334 -21.4303 -21.4303 -21.3048 -21.3048 -14.1676 -14.1676 -13.5749 -13.5749 -13.4396 -13.4396 14.8316 14.8316 15.1026 15.1026 16.6973 16.6973 17.0110 17.0110 18.2976 18.2976 19.1758 19.1758 20.6681 20.6681 21.1440 21.1440 21.4092 21.4092 22.5027 22.5027 k = 0.3699 0.3699-0.0000 ( 2352 PWs) bands (ev): -51.9148 -51.9148 -37.4490 -37.4490 -24.5319 -24.5319 -21.4272 -21.4272 -21.3042 -21.3042 -14.1666 -14.1666 -13.5728 -13.5728 -13.4396 -13.4396 14.8443 14.8443 15.1348 15.1348 16.7199 16.7199 17.0656 17.0656 18.1799 18.1799 19.0567 19.0567 20.6344 20.6344 21.1173 21.1173 21.4062 21.4062 22.4239 22.4239 k = 0.3630 0.3630-0.0000 ( 2348 PWs) bands (ev): -51.9151 -51.9151 -37.4497 -37.4497 -24.5304 -24.5304 -21.4239 -21.4239 -21.3035 -21.3035 -14.1655 -14.1655 -13.5707 -13.5707 -13.4396 -13.4396 14.8543 14.8543 15.1686 15.1686 16.7434 16.7434 17.1225 17.1225 18.0632 18.0632 18.9384 18.9384 20.6012 20.6012 21.0909 21.0909 21.4021 21.4021 22.3436 22.3436 k = 0.3562 0.3562-0.0000 ( 2346 PWs) bands (ev): -51.9156 -51.9156 -37.4505 -37.4505 -24.5289 -24.5289 -21.4205 -21.4205 -21.3029 -21.3029 -14.1644 -14.1644 -13.5684 -13.5684 -13.4396 -13.4396 14.8615 14.8615 15.2035 15.2035 16.7678 16.7678 17.1816 17.1816 17.9477 17.9477 18.8215 18.8215 20.5689 20.5689 21.0650 21.0650 21.3970 21.3970 22.2621 22.2621 k = 0.3493 0.3493-0.0000 ( 2354 PWs) bands (ev): -51.9160 -51.9160 -37.4513 -37.4513 -24.5273 -24.5273 -21.4171 -21.4171 -21.3023 -21.3023 -14.1631 -14.1631 -13.5660 -13.5660 -13.4395 -13.4395 14.8658 14.8658 15.2390 15.2390 16.7931 16.7931 17.2425 17.2425 17.8336 17.8336 18.7067 18.7067 20.5381 20.5381 21.0396 21.0396 21.3911 21.3911 22.1796 22.1796 k = 0.3425 0.3425-0.0000 ( 2342 PWs) bands (ev): -51.9164 -51.9164 -37.4521 -37.4521 -24.5257 -24.5257 -21.4135 -21.4135 -21.3016 -21.3016 -14.1618 -14.1618 -13.5634 -13.5634 -13.4394 -13.4394 14.8668 14.8668 15.2746 15.2746 16.8193 16.8193 17.3049 17.3049 17.7212 17.7212 18.5950 18.5950 20.5093 20.5093 21.0147 21.0147 21.3845 21.3845 22.0967 22.0967 k = 0.3356 0.3356-0.0000 ( 2344 PWs) bands (ev): -51.9169 -51.9169 -37.4530 -37.4530 -24.5240 -24.5240 -21.4099 -21.4099 -21.3009 -21.3009 -14.1604 -14.1604 -13.5608 -13.5608 -13.4392 -13.4392 14.8645 14.8645 15.3098 15.3098 16.8462 16.8462 17.3674 17.3674 17.6118 17.6118 18.4870 18.4870 20.4829 20.4829 20.9905 20.9905 21.3773 21.3773 22.0136 22.0136 k = 0.3288 0.3288-0.0000 ( 2344 PWs) bands (ev): -51.9173 -51.9173 -37.4538 -37.4538 -24.5224 -24.5224 -21.4062 -21.4062 -21.3002 -21.3002 -14.1590 -14.1590 -13.5580 -13.5580 -13.4390 -13.4390 14.8584 14.8584 15.3441 15.3441 16.8738 16.8738 17.4204 17.4204 17.5148 17.5148 18.3835 18.3835 20.4594 20.4594 20.9670 20.9670 21.3696 21.3696 21.9307 21.9307 k = 0.3219 0.3219-0.0000 ( 2348 PWs) bands (ev): -51.9178 -51.9178 -37.4547 -37.4547 -24.5207 -24.5207 -21.4025 -21.4025 -21.2995 -21.2995 -14.1574 -14.1574 -13.5551 -13.5551 -13.4388 -13.4388 14.8485 14.8485 15.3768 15.3768 16.9020 16.9020 17.3750 17.3750 17.5189 17.5189 18.2854 18.2854 20.4392 20.4392 20.9442 20.9442 21.3615 21.3615 21.8484 21.8484 k = 0.3151 0.3151-0.0000 ( 2344 PWs) bands (ev): -51.9183 -51.9183 -37.4556 -37.4556 -24.5190 -24.5190 -21.3987 -21.3987 -21.2988 -21.2988 -14.1558 -14.1558 -13.5521 -13.5521 -13.4385 -13.4385 14.8345 14.8345 15.4074 15.4074 16.9305 16.9305 17.2743 17.2743 17.5809 17.5809 18.1937 18.1937 20.4228 20.4228 20.9222 20.9222 21.3531 21.3531 21.7671 21.7671 k = 0.3082 0.3082-0.0000 ( 2354 PWs) bands (ev): -51.9188 -51.9188 -37.4565 -37.4565 -24.5173 -24.5173 -21.3949 -21.3949 -21.2981 -21.2981 -14.1541 -14.1541 -13.5490 -13.5490 -13.4381 -13.4381 14.8160 14.8160 15.4353 15.4353 16.9584 16.9584 17.1720 17.1720 17.6472 17.6472 18.1096 18.1096 20.4105 20.4105 20.9012 20.9012 21.3445 21.3445 21.6872 21.6872 k = 0.3014 0.3014-0.0000 ( 2350 PWs) bands (ev): -51.9193 -51.9193 -37.4574 -37.4574 -24.5155 -24.5155 -21.3911 -21.3911 -21.2974 -21.2974 -14.1523 -14.1523 -13.5457 -13.5457 -13.4377 -13.4377 14.7929 14.7929 15.4601 15.4601 16.9805 16.9805 17.0769 17.0769 17.7124 17.7124 18.0352 18.0352 20.4027 20.4027 20.8811 20.8811 21.3356 21.3356 21.6091 21.6091 k = 0.2945 0.2945-0.0000 ( 2350 PWs) bands (ev): -51.9198 -51.9198 -37.4583 -37.4583 -24.5138 -24.5138 -21.3872 -21.3872 -21.2967 -21.2967 -14.1505 -14.1505 -13.5424 -13.5424 -13.4373 -13.4373 14.7651 14.7651 15.4812 15.4812 16.9453 16.9453 17.0410 17.0410 17.7708 17.7708 17.9761 17.9761 20.3996 20.3996 20.8622 20.8622 21.3265 21.3265 21.5335 21.5335 k = 0.2877 0.2877-0.0000 ( 2350 PWs) bands (ev): -51.9203 -51.9203 -37.4592 -37.4592 -24.5120 -24.5120 -21.3833 -21.3833 -21.2961 -21.2961 -14.1485 -14.1485 -13.5389 -13.5389 -13.4368 -13.4368 14.7322 14.7322 15.4982 15.4982 16.8532 16.8532 17.0641 17.0641 17.8038 17.8038 17.9507 17.9507 20.4016 20.4016 20.8445 20.8445 21.3169 21.3169 21.4610 21.4610 k = 0.2808 0.2808-0.0000 ( 2350 PWs) bands (ev): -51.9208 -51.9208 -37.4601 -37.4601 -24.5103 -24.5103 -21.3795 -21.3795 -21.2954 -21.2954 -14.1465 -14.1465 -13.5353 -13.5353 -13.4362 -13.4362 14.6944 14.6944 15.5107 15.5107 16.7563 16.7563 17.0943 17.0943 17.7905 17.7905 17.9795 17.9795 20.4087 20.4087 20.8282 20.8282 21.3063 21.3063 21.3929 21.3929 k = 0.2740 0.2740-0.0000 ( 2342 PWs) bands (ev): -51.9214 -51.9214 -37.4610 -37.4610 -24.5085 -24.5085 -21.3755 -21.3755 -21.2947 -21.2947 -14.1444 -14.1444 -13.5316 -13.5316 -13.4356 -13.4356 14.6516 14.6516 15.5184 15.5184 16.6599 16.6599 17.1262 17.1262 17.7576 17.7576 18.0360 18.0360 20.4210 20.4210 20.8134 20.8134 21.2904 21.2904 21.3340 21.3340 k = 0.2671 0.2671-0.0000 ( 2342 PWs) bands (ev): -51.9219 -51.9219 -37.4619 -37.4619 -24.5067 -24.5067 -21.3717 -21.3717 -21.2940 -21.2940 -14.1423 -14.1423 -13.5278 -13.5278 -13.4349 -13.4349 14.6039 14.6039 15.5212 15.5212 16.5649 16.5649 17.1589 17.1589 17.7253 17.7253 18.0991 18.0991 20.4386 20.4386 20.8003 20.8003 21.2512 21.2512 21.3029 21.3029 k = 0.2603 0.2603-0.0000 ( 2342 PWs) bands (ev): -51.9224 -51.9224 -37.4628 -37.4628 -24.5050 -24.5050 -21.3679 -21.3679 -21.2934 -21.2934 -14.1400 -14.1400 -13.5240 -13.5240 -13.4341 -13.4341 14.5514 14.5514 15.5191 15.5191 16.4716 16.4716 17.1922 17.1922 17.6987 17.6987 18.1629 18.1629 20.4613 20.4613 20.7894 20.7894 21.1990 21.1990 21.2900 21.2900 k = 0.2534 0.2534-0.0000 ( 2342 PWs) bands (ev): -51.9230 -51.9230 -37.4637 -37.4637 -24.5033 -24.5033 -21.3640 -21.3640 -21.2928 -21.2928 -14.1377 -14.1377 -13.5200 -13.5200 -13.4333 -13.4333 14.4944 14.4944 15.5123 15.5123 16.3801 16.3801 17.2257 17.2257 17.6791 17.6791 18.2254 18.2254 20.4888 20.4888 20.7808 20.7808 21.1494 21.1494 21.2805 21.2805 k = 0.2466 0.2466-0.0000 ( 2342 PWs) bands (ev): -51.9235 -51.9235 -37.4646 -37.4646 -24.5016 -24.5016 -21.3603 -21.3603 -21.2922 -21.2922 -14.1354 -14.1354 -13.5160 -13.5160 -13.4325 -13.4325 14.4332 14.4332 15.5009 15.5009 16.2905 16.2905 17.2595 17.2595 17.6665 17.6665 18.2851 18.2851 20.5205 20.5205 20.7754 20.7754 21.1055 21.1055 21.2719 21.2719 k = 0.2397 0.2397-0.0000 ( 2342 PWs) bands (ev): -51.9241 -51.9241 -37.4654 -37.4654 -24.4999 -24.4999 -21.3565 -21.3565 -21.2916 -21.2916 -14.1330 -14.1330 -13.5119 -13.5119 -13.4316 -13.4316 14.3682 14.3682 15.4852 15.4852 16.2029 16.2029 17.2935 17.2935 17.6606 17.6606 18.3411 18.3411 20.5552 20.5552 20.7742 20.7742 21.0686 21.0686 21.2639 21.2639 k = 0.2329 0.2329-0.0000 ( 2342 PWs) bands (ev): -51.9246 -51.9246 -37.4663 -37.4663 -24.4982 -24.4982 -21.3528 -21.3528 -21.2910 -21.2910 -14.1305 -14.1305 -13.5077 -13.5077 -13.4307 -13.4307 14.2998 14.2998 15.4657 15.4657 16.1174 16.1174 17.3275 17.3275 17.6607 17.6607 18.3926 18.3926 20.5911 20.5911 20.7791 20.7791 21.0395 21.0395 21.2563 21.2563 k = 0.2260 0.2260-0.0000 ( 2340 PWs) bands (ev): -51.9251 -51.9251 -37.4672 -37.4672 -24.4966 -24.4966 -21.3492 -21.3492 -21.2904 -21.2904 -14.1280 -14.1280 -13.5034 -13.5034 -13.4297 -13.4297 14.2285 14.2285 15.4428 15.4428 16.0339 16.0339 17.3616 17.3616 17.6661 17.6661 18.4388 18.4388 20.6248 20.6248 20.7932 20.7932 21.0191 21.0191 21.2490 21.2490 k = 0.2192 0.2192-0.0000 ( 2340 PWs) bands (ev): -51.9257 -51.9257 -37.4680 -37.4680 -24.4950 -24.4950 -21.3456 -21.3456 -21.2899 -21.2899 -14.1255 -14.1255 -13.4991 -13.4991 -13.4287 -13.4287 14.1547 14.1547 15.4169 15.4169 15.9525 15.9525 17.3955 17.3955 17.6761 17.6761 18.4789 18.4789 20.6524 20.6524 20.8200 20.8200 21.0080 21.0080 21.2421 21.2421 k = 0.2123 0.2123-0.0000 ( 2350 PWs) bands (ev): -51.9262 -51.9262 -37.4688 -37.4688 -24.4935 -24.4935 -21.3421 -21.3421 -21.2895 -21.2895 -14.1229 -14.1229 -13.4948 -13.4948 -13.4276 -13.4276 14.0790 14.0790 15.3885 15.3885 15.8732 15.8732 17.4293 17.4293 17.6899 17.6899 18.5126 18.5126 20.6725 20.6725 20.8607 20.8607 21.0072 21.0072 21.2356 21.2356 k = 0.2055 0.2055-0.0000 ( 2348 PWs) bands (ev): -51.9267 -51.9267 -37.4696 -37.4696 -24.4919 -24.4919 -21.3387 -21.3387 -21.2890 -21.2890 -14.1204 -14.1204 -13.4904 -13.4904 -13.4265 -13.4265 14.0018 14.0018 15.3579 15.3579 15.7961 15.7961 17.4629 17.4629 17.7068 17.7068 18.5394 18.5394 20.6869 20.6869 20.9125 20.9125 21.0174 21.0174 21.2294 21.2294 k = 0.1986 0.1986-0.0000 ( 2348 PWs) bands (ev): -51.9273 -51.9273 -37.4704 -37.4704 -24.4904 -24.4904 -21.3353 -21.3353 -21.2885 -21.2885 -14.1178 -14.1178 -13.4860 -13.4860 -13.4254 -13.4254 13.9236 13.9236 15.3255 15.3255 15.7212 15.7212 17.4962 17.4962 17.7261 17.7261 18.5592 18.5592 20.6984 20.6984 20.9704 20.9704 21.0406 21.0406 21.2237 21.2237 k = 0.1918 0.1918-0.0000 ( 2348 PWs) bands (ev): -51.9278 -51.9278 -37.4712 -37.4712 -24.4889 -24.4889 -21.3320 -21.3320 -21.2881 -21.2881 -14.1151 -14.1151 -13.4816 -13.4816 -13.4242 -13.4242 13.8449 13.8449 15.2918 15.2918 15.6486 15.6486 17.5292 17.5292 17.7472 17.7472 18.5719 18.5719 20.7091 20.7091 21.0272 21.0272 21.0813 21.0813 21.2186 21.2186 k = 0.1849 0.1849-0.0000 ( 2360 PWs) bands (ev): -51.9283 -51.9283 -37.4719 -37.4719 -24.4876 -24.4876 -21.3288 -21.3288 -21.2878 -21.2878 -14.1125 -14.1125 -13.4772 -13.4772 -13.4230 -13.4230 13.7660 13.7660 15.2571 15.2571 15.5782 15.5782 17.5618 17.5618 17.7694 17.7694 18.5780 18.5780 20.7200 20.7200 21.0784 21.0784 21.1413 21.1413 21.2149 21.2149 k = 0.1781 0.1781-0.0000 ( 2360 PWs) bands (ev): -51.9288 -51.9288 -37.4727 -37.4727 -24.4862 -24.4862 -21.3257 -21.3257 -21.2874 -21.2874 -14.1099 -14.1099 -13.4728 -13.4728 -13.4218 -13.4218 13.6875 13.6875 15.2216 15.2216 15.5101 15.5101 17.5939 17.5939 17.7924 17.7924 18.5778 18.5778 20.7319 20.7319 21.1302 21.1302 21.1973 21.1973 21.2282 21.2282 k = 0.1712 0.1712-0.0000 ( 2360 PWs) bands (ev): -51.9293 -51.9293 -37.4734 -37.4734 -24.4849 -24.4849 -21.3227 -21.3227 -21.2870 -21.2870 -14.1073 -14.1073 -13.4684 -13.4684 -13.4206 -13.4206 13.6095 13.6095 15.1856 15.1856 15.4444 15.4444 17.6255 17.6255 17.8157 17.8157 18.5719 18.5719 20.7449 20.7449 21.1846 21.1846 21.2038 21.2038 21.3005 21.3005 k = 0.1644 0.1644-0.0000 ( 2365 PWs) bands (ev): -51.9297 -51.9297 -37.4741 -37.4741 -24.4836 -24.4836 -21.3198 -21.3198 -21.2867 -21.2867 -14.1047 -14.1047 -13.4640 -13.4640 -13.4194 -13.4194 13.5325 13.5325 15.1495 15.1495 15.3810 15.3810 17.6564 17.6564 17.8389 17.8389 18.5611 18.5611 20.7593 20.7593 21.1952 21.1952 21.2540 21.2540 21.3834 21.3834 k = 0.1575 0.1575-0.0000 ( 2357 PWs) bands (ev): -51.9302 -51.9302 -37.4747 -37.4747 -24.4823 -24.4823 -21.3169 -21.3169 -21.2864 -21.2864 -14.1022 -14.1022 -13.4597 -13.4597 -13.4181 -13.4181 13.4569 13.4569 15.1133 15.1133 15.3199 15.3199 17.6867 17.6867 17.8617 17.8617 18.5460 18.5460 20.7751 20.7751 21.1921 21.1921 21.3237 21.3237 21.4696 21.4696 k = 0.1507 0.1507-0.0000 ( 2357 PWs) bands (ev): -51.9307 -51.9307 -37.4754 -37.4754 -24.4811 -24.4811 -21.3142 -21.3142 -21.2861 -21.2861 -14.0997 -14.0997 -13.4554 -13.4554 -13.4169 -13.4169 13.3828 13.3828 15.0775 15.0775 15.2613 15.2613 17.7161 17.7161 17.8839 17.8839 18.5274 18.5274 20.7923 20.7923 21.1887 21.1887 21.3995 21.3995 21.5577 21.5577 k = 0.1438 0.1438-0.0000 ( 2361 PWs) bands (ev): -51.9311 -51.9311 -37.4760 -37.4760 -24.4800 -24.4800 -21.3116 -21.3116 -21.2858 -21.2858 -14.0972 -14.0972 -13.4512 -13.4512 -13.4157 -13.4157 13.3105 13.3105 15.0420 15.0420 15.2051 15.2051 17.7448 17.7448 17.9052 17.9052 18.5060 18.5060 20.8108 20.8108 21.1854 21.1854 21.4800 21.4800 21.6471 21.6471 k = 0.1370 0.1370-0.0000 ( 2367 PWs) bands (ev): -51.9315 -51.9315 -37.4766 -37.4766 -24.4789 -24.4789 -21.3091 -21.3091 -21.2856 -21.2856 -14.0948 -14.0948 -13.4471 -13.4471 -13.4145 -13.4145 13.2403 13.2403 15.0072 15.0072 15.1514 15.1514 17.7725 17.7725 17.9256 17.9256 18.4825 18.4825 20.8304 20.8304 21.1824 21.1824 21.5644 21.5644 21.7371 21.7371 k = 0.1301 0.1301-0.0000 ( 2367 PWs) bands (ev): -51.9319 -51.9319 -37.4771 -37.4771 -24.4778 -24.4778 -21.3067 -21.3067 -21.2854 -21.2854 -14.0924 -14.0924 -13.4431 -13.4431 -13.4133 -13.4133 13.1724 13.1724 14.9732 14.9732 15.1001 15.1001 17.7991 17.7991 17.9449 17.9449 18.4575 18.4575 20.8511 20.8511 21.1795 21.1795 21.6519 21.6519 21.8273 21.8273 k = 0.1233 0.1233-0.0000 ( 2375 PWs) bands (ev): -51.9323 -51.9323 -37.4777 -37.4777 -24.4769 -24.4769 -21.3045 -21.3045 -21.2852 -21.2852 -14.0901 -14.0901 -13.4392 -13.4392 -13.4121 -13.4121 13.1070 13.1070 14.9401 14.9401 15.0514 15.0514 17.8247 17.8247 17.9629 17.9629 18.4316 18.4316 20.8727 20.8727 21.1769 21.1769 21.7417 21.7417 21.9169 21.9169 k = 0.1164 0.1164-0.0000 ( 2371 PWs) bands (ev): -51.9327 -51.9327 -37.4782 -37.4782 -24.4759 -24.4759 -21.3023 -21.3023 -21.2850 -21.2850 -14.0879 -14.0879 -13.4354 -13.4354 -13.4110 -13.4110 13.0443 13.0443 14.9081 14.9081 15.0052 15.0052 17.8491 17.8491 17.9797 17.9797 18.4054 18.4054 20.8949 20.8949 21.1745 21.1745 21.8328 21.8328 22.0056 22.0056 k = 0.1096 0.1096-0.0000 ( 2379 PWs) bands (ev): -51.9331 -51.9331 -37.4787 -37.4787 -24.4750 -24.4750 -21.3003 -21.3003 -21.2849 -21.2849 -14.0858 -14.0858 -13.4317 -13.4317 -13.4099 -13.4099 12.9844 12.9844 14.8773 14.8773 14.9614 14.9614 17.8723 17.8723 17.9951 17.9951 18.3793 18.3793 20.9176 20.9176 21.1724 21.1724 21.9245 21.9245 22.0927 22.0927 k = 0.1027 0.1027-0.0000 ( 2375 PWs) bands (ev): -51.9334 -51.9334 -37.4791 -37.4791 -24.4742 -24.4742 -21.2983 -21.2983 -21.2847 -21.2847 -14.0838 -14.0838 -13.4282 -13.4282 -13.4088 -13.4088 12.9275 12.9275 14.8478 14.8478 14.9203 14.9203 17.8941 17.8941 18.0091 18.0091 18.3539 18.3539 20.9405 20.9405 21.1704 21.1704 22.0162 22.0162 22.1779 22.1779 k = 0.0959 0.0959-0.0000 ( 2377 PWs) bands (ev): -51.9337 -51.9337 -37.4795 -37.4795 -24.4734 -24.4734 -21.2965 -21.2965 -21.2846 -21.2846 -14.0819 -14.0819 -13.4248 -13.4248 -13.4078 -13.4078 12.8737 12.8737 14.8198 14.8198 14.8817 14.8817 17.9144 17.9144 18.0217 18.0217 18.3294 18.3294 20.9633 20.9633 21.1687 21.1687 22.1068 22.1068 22.2605 22.2605 k = 0.0890 0.0890-0.0000 ( 2377 PWs) bands (ev): -51.9340 -51.9340 -37.4799 -37.4799 -24.4727 -24.4727 -21.2948 -21.2948 -21.2845 -21.2845 -14.0800 -14.0800 -13.4216 -13.4216 -13.4068 -13.4068 12.8231 12.8231 14.7933 14.7933 14.8457 14.8457 17.9334 17.9334 18.0327 18.0327 18.3063 18.3063 20.9859 20.9859 21.1671 21.1671 22.1958 22.1958 22.3401 22.3401 k = 0.0822 0.0822-0.0000 ( 2375 PWs) bands (ev): -51.9343 -51.9343 -37.4803 -37.4803 -24.4720 -24.4720 -21.2932 -21.2932 -21.2844 -21.2844 -14.0783 -14.0783 -13.4186 -13.4186 -13.4059 -13.4059 12.7758 12.7758 14.7684 14.7684 14.8124 14.8124 17.9508 17.9508 18.0420 18.0420 18.2851 18.2851 21.0080 21.0080 21.1657 21.1657 22.2823 22.2823 22.4163 22.4163 k = 0.0753 0.0753-0.0000 ( 2367 PWs) bands (ev): -51.9346 -51.9346 -37.4806 -37.4806 -24.4713 -24.4713 -21.2917 -21.2917 -21.2843 -21.2843 -14.0767 -14.0767 -13.4158 -13.4158 -13.4051 -13.4051 12.7320 12.7320 14.7452 14.7452 14.7816 14.7816 17.9666 17.9666 18.0495 18.0495 18.2661 18.2661 21.0293 21.0293 21.1645 21.1645 22.3656 22.3656 22.4884 22.4884 k = 0.0685 0.0685-0.0000 ( 2367 PWs) bands (ev): -51.9348 -51.9348 -37.4809 -37.4809 -24.4707 -24.4707 -21.2904 -21.2904 -21.2842 -21.2842 -14.0752 -14.0752 -13.4132 -13.4132 -13.4043 -13.4043 12.6918 12.6918 14.7238 14.7238 14.7535 14.7535 17.9809 17.9809 18.0551 18.0551 18.2496 18.2496 21.0497 21.0497 21.1634 21.1634 22.4449 22.4449 22.5560 22.5560 k = 0.0616 0.0616-0.0000 ( 2363 PWs) bands (ev): -51.9351 -51.9351 -37.4812 -37.4812 -24.4702 -24.4702 -21.2891 -21.2891 -21.2842 -21.2842 -14.0739 -14.0739 -13.4108 -13.4108 -13.4035 -13.4035 12.6551 12.6551 14.7043 14.7043 14.7280 14.7280 17.9936 17.9936 18.0586 18.0586 18.2359 18.2359 21.0689 21.0689 21.1625 21.1625 22.5193 22.5193 22.6187 22.6187 k = 0.0548 0.0548-0.0000 ( 2363 PWs) bands (ev): -51.9353 -51.9353 -37.4815 -37.4815 -24.4697 -24.4697 -21.2881 -21.2881 -21.2841 -21.2841 -14.0726 -14.0726 -13.4086 -13.4086 -13.4029 -13.4029 12.6222 12.6222 14.6866 14.6866 14.7052 14.7052 18.0047 18.0047 18.0601 18.0601 18.2252 18.2252 21.0867 21.0867 21.1617 21.1617 22.5880 22.5880 22.6757 22.6757 k = 0.0479 0.0479-0.0000 ( 2359 PWs) bands (ev): -51.9354 -51.9354 -37.4817 -37.4817 -24.4693 -24.4693 -21.2871 -21.2871 -21.2840 -21.2840 -14.0715 -14.0715 -13.4067 -13.4067 -13.4023 -13.4023 12.5929 12.5929 14.6710 14.6710 14.6850 14.6850 18.0144 18.0144 18.0597 18.0597 18.2173 18.2173 21.1028 21.1028 21.1610 21.1610 22.6504 22.6504 22.7265 22.7265 k = 0.0411 0.0411-0.0000 ( 2351 PWs) bands (ev): -51.9356 -51.9356 -37.4819 -37.4819 -24.4689 -24.4689 -21.2862 -21.2862 -21.2840 -21.2840 -14.0706 -14.0706 -13.4050 -13.4050 -13.4017 -13.4017 12.5675 12.5675 14.6573 14.6573 14.6675 14.6675 18.0225 18.0225 18.0578 18.0578 18.2120 18.2120 21.1172 21.1172 21.1604 21.1604 22.7056 22.7056 22.7702 22.7702 k = 0.0342 0.0342-0.0000 ( 2351 PWs) bands (ev): -51.9357 -51.9357 -37.4820 -37.4820 -24.4686 -24.4686 -21.2855 -21.2855 -21.2840 -21.2840 -14.0698 -14.0698 -13.4036 -13.4036 -13.4013 -13.4013 12.5459 12.5459 14.6456 14.6456 14.6527 14.6527 18.0293 18.0293 18.0550 18.0550 18.2087 18.2087 21.1297 21.1297 21.1600 21.1600 22.7530 22.7530 22.8056 22.8056 k = 0.0274 0.0274-0.0000 ( 2351 PWs) bands (ev): -51.9358 -51.9358 -37.4822 -37.4822 -24.4683 -24.4683 -21.2849 -21.2849 -21.2839 -21.2839 -14.0691 -14.0691 -13.4024 -13.4024 -13.4009 -13.4009 12.5281 12.5281 14.6361 14.6361 14.6405 14.6405 18.0348 18.0348 18.0518 18.0518 18.2069 18.2069 21.1401 21.1401 21.1596 21.1596 22.7922 22.7922 22.8313 22.8313 k = 0.0205 0.0205-0.0000 ( 2351 PWs) bands (ev): -51.9359 -51.9359 -37.4823 -37.4823 -24.4681 -24.4681 -21.2845 -21.2845 -21.2839 -21.2839 -14.0686 -14.0686 -13.4015 -13.4015 -13.4006 -13.4006 12.5143 12.5143 14.6286 14.6286 14.6311 14.6311 18.0389 18.0389 18.0488 18.0488 18.2060 18.2060 21.1482 21.1482 21.1593 21.1593 22.8229 22.8229 22.8477 22.8477 k = 0.0137 0.0137-0.0000 ( 2359 PWs) bands (ev): -51.9360 -51.9360 -37.4824 -37.4824 -24.4681 -24.4681 -21.2842 -21.2842 -21.2840 -21.2840 -14.0682 -14.0682 -13.4008 -13.4008 -13.4004 -13.4004 12.5044 12.5044 14.6232 14.6232 14.6243 14.6243 18.0419 18.0419 18.0463 18.0463 18.2057 18.2057 21.1542 21.1542 21.1591 21.1591 22.8448 22.8448 22.8567 22.8567 k = 0.0068 0.0068-0.0000 ( 2359 PWs) bands (ev): -51.9360 -51.9360 -37.4824 -37.4824 -24.4680 -24.4680 -21.2840 -21.2840 -21.2839 -21.2839 -14.0680 -14.0680 -13.4004 -13.4004 -13.4003 -13.4003 12.4985 12.4985 14.6200 14.6200 14.6203 14.6203 18.0436 18.0436 18.0447 18.0447 18.2056 18.2056 21.1577 21.1577 21.1590 21.1590 22.8579 22.8579 22.8610 22.8610 k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -51.9360 -51.9360 -37.4824 -37.4824 -24.4680 -24.4680 -21.2840 -21.2840 -21.2840 -21.2840 -14.0679 -14.0679 -13.4003 -13.4003 -13.4003 -13.4003 12.4965 12.4965 14.6189 14.6189 14.6189 14.6189 18.0442 18.0442 18.0442 18.0442 18.2056 18.2056 21.1589 21.1589 21.1589 21.1589 22.8623 22.8623 22.8623 22.8623 k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -51.9360 -51.9360 -37.4824 -37.4824 -24.4680 -24.4680 -21.2840 -21.2840 -21.2840 -21.2840 -14.0679 -14.0679 -13.4003 -13.4003 -13.4003 -13.4003 12.4965 12.4965 14.6189 14.6189 14.6189 14.6189 18.0442 18.0442 18.0442 18.0442 18.2056 18.2056 21.1589 21.1589 21.1589 21.1589 22.8623 22.8623 22.8623 22.8623 k = 0.0056 0.0056 0.0056 ( 2364 PWs) bands (ev): -51.9360 -51.9360 -37.4824 -37.4824 -24.4680 -24.4680 -21.2840 -21.2840 -21.2840 -21.2840 -14.0680 -14.0680 -13.4004 -13.4004 -13.4003 -13.4003 12.4985 12.4985 14.6202 14.6202 14.6202 14.6202 18.0435 18.0435 18.0448 18.0448 18.2056 18.2056 21.1583 21.1583 21.1584 21.1584 22.8577 22.8577 22.8612 22.8612 k = 0.0112 0.0112 0.0112 ( 2352 PWs) bands (ev): -51.9360 -51.9360 -37.4824 -37.4824 -24.4680 -24.4680 -21.2841 -21.2841 -21.2840 -21.2840 -14.0682 -14.0682 -13.4007 -13.4007 -13.4005 -13.4005 12.5045 12.5045 14.6238 14.6238 14.6238 14.6238 18.0416 18.0416 18.0466 18.0466 18.2057 18.2057 21.1564 21.1564 21.1568 21.1568 22.8432 22.8432 22.8580 22.8580 k = 0.0169 0.0169 0.0169 ( 2352 PWs) bands (ev): -51.9359 -51.9359 -37.4823 -37.4823 -24.4682 -24.4682 -21.2843 -21.2843 -21.2841 -21.2841 -14.0686 -14.0686 -13.4013 -13.4013 -13.4008 -13.4008 12.5145 12.5145 14.6299 14.6299 14.6300 14.6300 18.0384 18.0384 18.0492 18.0492 18.2061 18.2061 21.1533 21.1533 21.1541 21.1541 22.8177 22.8177 22.8527 22.8527 k = 0.0225 0.0225 0.0225 ( 2349 PWs) bands (ev): -51.9358 -51.9358 -37.4822 -37.4822 -24.4683 -24.4683 -21.2846 -21.2846 -21.2842 -21.2842 -14.0691 -14.0691 -13.4021 -13.4021 -13.4012 -13.4012 12.5284 12.5284 14.6384 14.6384 14.6385 14.6385 18.0338 18.0338 18.0523 18.0523 18.2072 18.2072 21.1491 21.1491 21.1505 21.1505 22.7801 22.7801 22.8452 22.8452 k = 0.0281 0.0281 0.0281 ( 2349 PWs) bands (ev): -51.9357 -51.9357 -37.4820 -37.4820 -24.4686 -24.4686 -21.2850 -21.2850 -21.2844 -21.2844 -14.0698 -14.0698 -13.4031 -13.4031 -13.4018 -13.4018 12.5463 12.5463 14.6493 14.6493 14.6495 14.6495 18.0280 18.0280 18.0553 18.0553 18.2096 18.2096 21.1437 21.1437 21.1459 21.1459 22.7306 22.7306 22.8357 22.8357 k = 0.0337 0.0337 0.0337 ( 2349 PWs) bands (ev): -51.9356 -51.9356 -37.4819 -37.4819 -24.4689 -24.4689 -21.2856 -21.2856 -21.2847 -21.2847 -14.0706 -14.0706 -13.4044 -13.4044 -13.4025 -13.4025 12.5681 12.5681 14.6627 14.6627 14.6629 14.6629 18.0208 18.0208 18.0573 18.0573 18.2139 18.2139 21.1373 21.1373 21.1404 21.1404 22.6697 22.6697 22.8242 22.8242 k = 0.0393 0.0393 0.0393 ( 2355 PWs) bands (ev): -51.9354 -51.9354 -37.4817 -37.4817 -24.4693 -24.4693 -21.2862 -21.2862 -21.2850 -21.2850 -14.0716 -14.0716 -13.4058 -13.4058 -13.4033 -13.4033 12.5938 12.5938 14.6784 14.6784 14.6787 14.6787 18.0123 18.0123 18.0575 18.0575 18.2208 18.2208 21.1299 21.1299 21.1342 21.1342 22.5985 22.5985 22.8107 22.8107 k = 0.0449 0.0449 0.0449 ( 2358 PWs) bands (ev): -51.9352 -51.9352 -37.4815 -37.4815 -24.4697 -24.4697 -21.2869 -21.2869 -21.2853 -21.2853 -14.0727 -14.0727 -13.4075 -13.4075 -13.4042 -13.4042 12.6233 12.6233 14.6964 14.6964 14.6969 14.6969 18.0024 18.0024 18.0554 18.0554 18.2309 18.2309 21.1217 21.1217 21.1273 21.1273 22.5182 22.5182 22.7952 22.7952 k = 0.0506 0.0506 0.0506 ( 2358 PWs) bands (ev): -51.9350 -51.9350 -37.4812 -37.4812 -24.4702 -24.4702 -21.2876 -21.2876 -21.2857 -21.2857 -14.0739 -14.0739 -13.4093 -13.4093 -13.4052 -13.4052 12.6566 12.6566 14.7168 14.7168 14.7174 14.7174 17.9912 17.9912 18.0503 18.0503 18.2445 18.2445 21.1128 21.1128 21.1198 21.1198 22.4298 22.4298 22.7780 22.7780 k = 0.0562 0.0562 0.0562 ( 2370 PWs) bands (ev): -51.9348 -51.9348 -37.4809 -37.4809 -24.4708 -24.4708 -21.2885 -21.2885 -21.2862 -21.2862 -14.0752 -14.0752 -13.4113 -13.4113 -13.4063 -13.4063 12.6936 12.6936 14.7396 14.7396 14.7402 14.7402 17.9785 17.9785 18.0424 18.0424 18.2614 18.2614 21.1033 21.1033 21.1119 21.1119 22.3345 22.3345 22.7590 22.7590 k = 0.0618 0.0618 0.0618 ( 2370 PWs) bands (ev): -51.9346 -51.9346 -37.4806 -37.4806 -24.4714 -24.4714 -21.2895 -21.2895 -21.2868 -21.2868 -14.0767 -14.0767 -13.4135 -13.4135 -13.4076 -13.4076 12.7342 12.7342 14.7645 14.7645 14.7653 14.7653 17.9644 17.9644 18.0316 18.0316 18.2813 18.2813 21.0933 21.0933 21.1037 21.1037 22.2334 22.2334 22.7383 22.7383 k = 0.0674 0.0674 0.0674 ( 2376 PWs) bands (ev): -51.9343 -51.9343 -37.4802 -37.4802 -24.4721 -24.4721 -21.2905 -21.2905 -21.2873 -21.2873 -14.0783 -14.0783 -13.4159 -13.4159 -13.4090 -13.4090 12.7785 12.7785 14.7918 14.7918 14.7927 14.7927 17.9489 17.9489 18.0181 18.0181 18.3037 18.3037 21.0830 21.0830 21.0953 21.0953 22.1277 22.1277 22.7160 22.7160 k = 0.0730 0.0730 0.0730 ( 2382 PWs) bands (ev): -51.9340 -51.9340 -37.4799 -37.4799 -24.4728 -24.4728 -21.2917 -21.2917 -21.2880 -21.2880 -14.0800 -14.0800 -13.4184 -13.4184 -13.4105 -13.4105 12.8262 12.8262 14.8212 14.8212 14.8223 14.8223 17.9319 17.9319 18.0023 18.0023 18.3281 18.3281 21.0726 21.0726 21.0868 21.0868 22.0184 22.0184 22.6922 22.6922 k = 0.0787 0.0787 0.0787 ( 2373 PWs) bands (ev): -51.9337 -51.9337 -37.4794 -37.4794 -24.4735 -24.4735 -21.2928 -21.2928 -21.2887 -21.2887 -14.0818 -14.0818 -13.4210 -13.4210 -13.4121 -13.4121 12.8774 12.8774 14.8529 14.8529 14.8540 14.8540 17.9135 17.9135 17.9842 17.9842 18.3539 18.3539 21.0622 21.0622 21.0784 21.0784 21.9068 21.9068 22.6670 22.6670 k = 0.0843 0.0843 0.0843 ( 2373 PWs) bands (ev): -51.9334 -51.9334 -37.4790 -37.4790 -24.4743 -24.4743 -21.2941 -21.2941 -21.2895 -21.2895 -14.0837 -14.0837 -13.4238 -13.4238 -13.4138 -13.4138 12.9319 12.9319 14.8866 14.8866 14.8879 14.8879 17.8937 17.8937 17.9640 17.9640 18.3806 18.3806 21.0519 21.0519 21.0703 21.0703 21.7941 21.7941 22.6405 22.6405 k = 0.0899 0.0899 0.0899 ( 2367 PWs) bands (ev): -51.9330 -51.9330 -37.4785 -37.4785 -24.4752 -24.4752 -21.2954 -21.2954 -21.2903 -21.2903 -14.0857 -14.0857 -13.4266 -13.4266 -13.4156 -13.4156 12.9897 12.9897 14.9225 14.9225 14.9238 14.9238 17.8723 17.8723 17.9418 17.9418 18.4073 18.4073 21.0418 21.0418 21.0625 21.0625 21.6814 21.6814 22.6127 22.6127 k = 0.0955 0.0955 0.0955 ( 2367 PWs) bands (ev): -51.9326 -51.9326 -37.4780 -37.4780 -24.4761 -24.4761 -21.2968 -21.2968 -21.2913 -21.2913 -14.0878 -14.0878 -13.4296 -13.4296 -13.4176 -13.4176 13.0506 13.0506 14.9603 14.9603 14.9618 14.9618 17.8496 17.8496 17.9178 17.9178 18.4335 18.4335 21.0323 21.0323 21.0553 21.0553 21.5702 21.5702 22.5839 22.5839 k = 0.1011 0.1011 0.1011 ( 2379 PWs) bands (ev): -51.9322 -51.9322 -37.4775 -37.4775 -24.4772 -24.4772 -21.2984 -21.2984 -21.2923 -21.2923 -14.0900 -14.0900 -13.4327 -13.4327 -13.4196 -13.4196 13.1146 13.1146 15.0002 15.0002 15.0017 15.0017 17.8253 17.8253 17.8919 17.8919 18.4581 18.4581 21.0232 21.0232 21.0486 21.0486 21.4618 21.4618 22.5540 22.5540 k = 0.1067 0.1067 0.1067 ( 2370 PWs) bands (ev): -51.9318 -51.9318 -37.4769 -37.4769 -24.4782 -24.4782 -21.3000 -21.3000 -21.2934 -21.2934 -14.0922 -14.0922 -13.4358 -13.4358 -13.4218 -13.4218 13.1816 13.1816 15.0420 15.0420 15.0436 15.0436 17.7997 17.7997 17.8644 17.8644 18.4803 18.4803 21.0149 21.0149 21.0427 21.0427 21.3577 21.3577 22.5232 22.5232 k = 0.1124 0.1124 0.1124 ( 2370 PWs) bands (ev): -51.9314 -51.9314 -37.4763 -37.4763 -24.4793 -24.4793 -21.3016 -21.3016 -21.2946 -21.2946 -14.0945 -14.0945 -13.4390 -13.4390 -13.4240 -13.4240 13.2513 13.2513 15.0856 15.0856 15.0872 15.0872 17.7727 17.7727 17.8352 17.8352 18.4989 18.4989 21.0074 21.0074 21.0375 21.0375 21.2594 21.2594 22.4916 22.4916 k = 0.1180 0.1180 0.1180 ( 2364 PWs) bands (ev): -51.9310 -51.9310 -37.4757 -37.4757 -24.4805 -24.4805 -21.3033 -21.3033 -21.2959 -21.2959 -14.0969 -14.0969 -13.4422 -13.4422 -13.4263 -13.4263 13.3238 13.3238 15.1311 15.1311 15.1327 15.1327 17.7443 17.7443 17.8045 17.8045 18.5128 18.5128 21.0008 21.0008 21.0333 21.0333 21.1687 21.1687 22.4593 22.4593 k = 0.1236 0.1236 0.1236 ( 2370 PWs) bands (ev): -51.9305 -51.9305 -37.4750 -37.4750 -24.4817 -24.4817 -21.3051 -21.3051 -21.2973 -21.2973 -14.0993 -14.0993 -13.4455 -13.4455 -13.4288 -13.4288 13.3989 13.3989 15.1782 15.1782 15.1798 15.1798 17.7147 17.7147 17.7723 17.7723 18.5207 18.5207 20.9952 20.9952 21.0301 21.0301 21.0874 21.0874 22.4264 22.4264 k = 0.1292 0.1292 0.1292 ( 2364 PWs) bands (ev): -51.9300 -51.9300 -37.4743 -37.4743 -24.4830 -24.4830 -21.3069 -21.3069 -21.2988 -21.2988 -14.1018 -14.1018 -13.4488 -13.4488 -13.4313 -13.4313 13.4765 13.4765 15.2271 15.2271 15.2286 15.2286 17.6838 17.6838 17.7387 17.7387 18.5212 18.5212 20.9907 20.9907 21.0158 21.0158 21.0290 21.0290 22.3929 22.3929 k = 0.1348 0.1348 0.1348 ( 2364 PWs) bands (ev): -51.9295 -51.9295 -37.4736 -37.4736 -24.4844 -24.4844 -21.3087 -21.3087 -21.3004 -21.3004 -14.1042 -14.1042 -13.4521 -13.4521 -13.4339 -13.4339 13.5565 13.5565 15.2776 15.2776 15.2789 15.2789 17.6517 17.6517 17.7038 17.7038 18.5132 18.5132 20.9585 20.9585 20.9874 20.9874 21.0274 21.0274 22.3591 22.3591 k = 0.1404 0.1404 0.1404 ( 2358 PWs) bands (ev): -51.9290 -51.9290 -37.4728 -37.4728 -24.4857 -24.4857 -21.3107 -21.3107 -21.3020 -21.3020 -14.1068 -14.1068 -13.4554 -13.4554 -13.4366 -13.4366 13.6386 13.6386 15.3295 15.3295 15.3307 15.3307 17.6185 17.6185 17.6677 17.6677 18.4956 18.4956 20.9144 20.9144 20.9854 20.9854 21.0275 21.0275 22.3249 22.3249 k = 0.1461 0.1461 0.1461 ( 2358 PWs) bands (ev): -51.9285 -51.9285 -37.4720 -37.4720 -24.4872 -24.4872 -21.3126 -21.3126 -21.3038 -21.3038 -14.1093 -14.1093 -13.4587 -13.4587 -13.4394 -13.4394 13.7228 13.7228 15.3829 15.3829 15.3839 15.3839 17.5843 17.5843 17.6304 17.6304 18.4677 18.4677 20.8851 20.8851 20.9846 20.9846 21.0290 21.0290 22.2905 22.2905 k = 0.1517 0.1517 0.1517 ( 2358 PWs) bands (ev): -51.9279 -51.9279 -37.4712 -37.4712 -24.4887 -24.4887 -21.3147 -21.3147 -21.3057 -21.3057 -14.1119 -14.1119 -13.4620 -13.4620 -13.4423 -13.4423 13.8090 13.8090 15.4377 15.4377 15.4383 15.4383 17.5492 17.5492 17.5921 17.5921 18.4295 18.4295 20.8711 20.8711 20.9851 20.9851 21.0317 21.0317 22.2552 22.2552 k = 0.1573 0.1573 0.1573 ( 2358 PWs) bands (ev): -51.9274 -51.9274 -37.4704 -37.4704 -24.4903 -24.4903 -21.3167 -21.3167 -21.3077 -21.3077 -14.1145 -14.1145 -13.4653 -13.4653 -13.4453 -13.4453 13.8970 13.8970 15.4938 15.4938 15.4939 15.4939 17.5133 17.5133 17.5529 17.5529 18.3810 18.3810 20.8724 20.8724 20.9870 20.9870 21.0358 21.0358 22.2174 22.2174 k = 0.1629 0.1629 0.1629 ( 2358 PWs) bands (ev): -51.9268 -51.9268 -37.4695 -37.4695 -24.4919 -24.4919 -21.3189 -21.3189 -21.3098 -21.3098 -14.1172 -14.1172 -13.4685 -13.4685 -13.4483 -13.4483 13.9867 13.9867 15.5506 15.5506 15.5510 15.5510 17.4767 17.4767 17.5128 17.5128 18.3230 18.3230 20.8885 20.8885 20.9902 20.9902 21.0412 21.0412 22.1796 22.1796 k = 0.1685 0.1685 0.1685 ( 2346 PWs) bands (ev): -51.9262 -51.9262 -37.4686 -37.4686 -24.4935 -24.4935 -21.3209 -21.3209 -21.3119 -21.3119 -14.1198 -14.1198 -13.4717 -13.4717 -13.4514 -13.4514 14.0778 14.0778 15.6082 15.6082 15.6093 15.6093 17.4394 17.4394 17.4720 17.4720 18.2565 18.2565 20.9184 20.9184 20.9946 20.9946 21.0484 21.0484 22.1421 22.1421 k = 0.1742 0.1742 0.1742 ( 2346 PWs) bands (ev): -51.9257 -51.9257 -37.4677 -37.4677 -24.4952 -24.4952 -21.3231 -21.3231 -21.3142 -21.3142 -14.1224 -14.1224 -13.4749 -13.4749 -13.4546 -13.4546 14.1703 14.1703 15.6667 15.6667 15.6686 15.6686 17.4018 17.4018 17.4307 17.4307 18.1828 18.1828 20.9601 20.9601 21.0004 21.0004 21.0578 21.0578 22.1050 22.1050 k = 0.1798 0.1798 0.1798 ( 2346 PWs) bands (ev): -51.9251 -51.9251 -37.4667 -37.4667 -24.4969 -24.4969 -21.3254 -21.3254 -21.3166 -21.3166 -14.1251 -14.1251 -13.4780 -13.4780 -13.4578 -13.4578 14.2639 14.2639 15.7259 15.7259 15.7288 15.7288 17.3638 17.3638 17.3888 17.3888 18.1032 18.1032 21.0073 21.0073 21.0091 21.0091 21.0731 21.0731 22.0684 22.0684 k = 0.1854 0.1854 0.1854 ( 2346 PWs) bands (ev): -51.9245 -51.9245 -37.4657 -37.4657 -24.4987 -24.4987 -21.3276 -21.3276 -21.3190 -21.3190 -14.1278 -14.1278 -13.4811 -13.4811 -13.4611 -13.4611 14.3585 14.3585 15.7857 15.7857 15.7898 15.7898 17.3256 17.3256 17.3465 17.3465 18.0190 18.0190 21.0154 21.0154 21.0487 21.0487 21.1097 21.1097 22.0324 22.0324 k = 0.1910 0.1910 0.1910 ( 2346 PWs) bands (ev): -51.9238 -51.9238 -37.4647 -37.4647 -24.5005 -24.5005 -21.3299 -21.3299 -21.3215 -21.3215 -14.1304 -14.1304 -13.4842 -13.4842 -13.4645 -13.4645 14.4540 14.4540 15.8459 15.8459 15.8515 15.8515 17.2875 17.2875 17.3039 17.3039 17.9317 17.9317 21.0246 21.0246 21.0683 21.0683 21.1767 21.1767 21.9971 21.9971 k = 0.1966 0.1966 0.1966 ( 2349 PWs) bands (ev): -51.9232 -51.9232 -37.4637 -37.4637 -24.5024 -24.5024 -21.3322 -21.3322 -21.3241 -21.3241 -14.1331 -14.1331 -13.4872 -13.4872 -13.4679 -13.4679 14.5500 14.5500 15.9064 15.9064 15.9138 15.9138 17.2495 17.2495 17.2612 17.2612 17.8424 17.8424 21.0346 21.0346 21.0816 21.0816 21.2595 21.2595 21.9629 21.9629 k = 0.2022 0.2022 0.2022 ( 2349 PWs) bands (ev): -51.9226 -51.9226 -37.4626 -37.4626 -24.5043 -24.5043 -21.3345 -21.3345 -21.3268 -21.3268 -14.1358 -14.1358 -13.4901 -13.4901 -13.4714 -13.4714 14.6464 14.6464 15.9669 15.9669 15.9765 15.9765 17.2118 17.2118 17.2183 17.2183 17.7523 17.7523 21.0455 21.0455 21.0936 21.0936 21.3520 21.3520 21.9298 21.9298 k = 0.2079 0.2079 0.2079 ( 2349 PWs) bands (ev): -51.9220 -51.9220 -37.4616 -37.4616 -24.5062 -24.5062 -21.3369 -21.3369 -21.3295 -21.3295 -14.1385 -14.1385 -13.4931 -13.4931 -13.4749 -13.4749 14.7429 14.7429 16.0273 16.0273 16.0395 16.0395 17.1748 17.1748 17.1755 17.1755 17.6623 17.6623 21.0569 21.0569 21.1051 21.1051 21.4522 21.4522 21.8981 21.8981 k = 0.2135 0.2135 0.2135 ( 2343 PWs) bands (ev): -51.9213 -51.9213 -37.4605 -37.4605 -24.5081 -24.5081 -21.3392 -21.3392 -21.3323 -21.3323 -14.1412 -14.1412 -13.4959 -13.4959 -13.4785 -13.4785 14.8392 14.8392 16.0872 16.0872 16.1027 16.1027 17.1328 17.1328 17.1386 17.1386 17.5735 17.5735 21.0687 21.0687 21.1162 21.1162 21.5592 21.5592 21.8681 21.8681 k = 0.2191 0.2191 0.2191 ( 2349 PWs) bands (ev): -51.9207 -51.9207 -37.4594 -37.4594 -24.5101 -24.5101 -21.3416 -21.3416 -21.3352 -21.3352 -14.1439 -14.1439 -13.4987 -13.4987 -13.4821 -13.4821 14.9351 14.9351 16.1464 16.1464 16.1659 16.1659 17.0903 17.0903 17.1036 17.1036 17.4866 17.4866 21.0806 21.0806 21.1267 21.1267 21.6721 21.6721 21.8400 21.8400 k = 0.2247 0.2247 0.2247 ( 2349 PWs) bands (ev): -51.9200 -51.9200 -37.4583 -37.4583 -24.5121 -24.5121 -21.3439 -21.3439 -21.3381 -21.3381 -14.1466 -14.1466 -13.5015 -13.5015 -13.4858 -13.4858 15.0302 15.0302 16.2044 16.2044 16.2290 16.2290 17.0481 17.0481 17.0701 17.0701 17.4026 17.4026 21.0924 21.0924 21.1363 21.1363 21.7905 21.7905 21.8143 21.8143 k = 0.2303 0.2303 0.2303 ( 2349 PWs) bands (ev): -51.9194 -51.9194 -37.4571 -37.4571 -24.5141 -24.5141 -21.3463 -21.3463 -21.3410 -21.3410 -14.1494 -14.1494 -13.5043 -13.5043 -13.4895 -13.4895 15.1240 15.1240 16.2607 16.2607 16.2916 16.2916 17.0063 17.0063 17.0388 17.0388 17.3223 17.3223 21.1036 21.1036 21.1446 21.1446 21.7913 21.7913 21.8209 21.8209 k = 0.2360 0.2360 0.2360 ( 2358 PWs) bands (ev): -51.9187 -51.9187 -37.4560 -37.4560 -24.5162 -24.5162 -21.3487 -21.3487 -21.3440 -21.3440 -14.1521 -14.1521 -13.5070 -13.5070 -13.4932 -13.4932 15.2160 15.2160 16.3146 16.3146 16.3537 16.3537 16.9652 16.9652 17.0103 17.0103 17.2466 17.2466 21.1139 21.1139 21.1510 21.1510 21.7715 21.7715 21.7999 21.7999 k = 0.2416 0.2416 0.2416 ( 2347 PWs) bands (ev): -51.9181 -51.9181 -37.4548 -37.4548 -24.5181 -24.5181 -21.3510 -21.3510 -21.3469 -21.3469 -14.1549 -14.1549 -13.5097 -13.5097 -13.4969 -13.4969 15.3057 15.3057 16.3651 16.3651 16.4146 16.4146 16.9249 16.9249 16.9856 16.9856 17.1765 17.1765 21.1228 21.1228 21.1552 21.1552 21.7554 21.7554 21.7819 21.7819 k = 0.2472 0.2472 0.2472 ( 2332 PWs) bands (ev): -51.9174 -51.9174 -37.4537 -37.4537 -24.5201 -24.5201 -21.3533 -21.3533 -21.3497 -21.3497 -14.1577 -14.1577 -13.5123 -13.5123 -13.5007 -13.5007 15.3923 15.3923 16.4108 16.4108 16.4739 16.4739 16.8861 16.8861 16.9660 16.9660 17.1129 17.1129 21.1298 21.1298 21.1566 21.1566 21.7433 21.7433 21.7670 21.7670 k = 0.2528 0.2528 0.2528 ( 2332 PWs) bands (ev): -51.9168 -51.9168 -37.4525 -37.4525 -24.5221 -24.5221 -21.3557 -21.3557 -21.3527 -21.3527 -14.1605 -14.1605 -13.5150 -13.5150 -13.5045 -13.5045 15.4749 15.4749 16.4501 16.4501 16.5305 16.5305 16.8494 16.8494 16.9533 16.9533 17.0571 17.0571 21.1344 21.1344 21.1548 21.1548 21.7357 21.7357 21.7559 21.7559 k = 0.2584 0.2584 0.2584 ( 2350 PWs) bands (ev): -51.9161 -51.9161 -37.4513 -37.4513 -24.5242 -24.5242 -21.3581 -21.3581 -21.3558 -21.3558 -14.1633 -14.1633 -13.5176 -13.5176 -13.5083 -13.5083 15.5523 15.5523 16.4809 16.4809 16.5822 16.5822 16.8169 16.8169 16.9492 16.9492 17.0105 17.0105 21.1362 21.1362 21.1496 21.1496 21.7327 21.7327 21.7488 21.7488 k = 0.2640 0.2640 0.2640 ( 2344 PWs) bands (ev): -51.9155 -51.9155 -37.4501 -37.4501 -24.5262 -24.5262 -21.3604 -21.3604 -21.3587 -21.3587 -14.1661 -14.1661 -13.5202 -13.5202 -13.5120 -13.5120 15.6233 15.6233 16.5017 16.5017 16.6243 16.6243 16.7923 16.7923 16.9555 16.9555 16.9753 16.9753 21.1349 21.1349 21.1409 21.1409 21.7344 21.7344 21.7460 21.7460 k = 0.2697 0.2697 0.2697 ( 2350 PWs) bands (ev): -51.9149 -51.9149 -37.4489 -37.4489 -24.5283 -24.5283 -21.3628 -21.3628 -21.3616 -21.3616 -14.1690 -14.1690 -13.5228 -13.5228 -13.5158 -13.5158 15.6863 15.6863 16.5120 16.5120 16.6476 16.6476 16.7831 16.7831 16.9546 16.9546 16.9725 16.9725 21.1287 21.1287 21.1301 21.1301 21.7406 21.7406 21.7476 21.7476 k = 0.2753 0.2753 0.2753 ( 2350 PWs) bands (ev): -51.9142 -51.9142 -37.4478 -37.4478 -24.5303 -24.5303 -21.3651 -21.3651 -21.3645 -21.3645 -14.1719 -14.1719 -13.5255 -13.5255 -13.5196 -13.5196 15.7399 15.7399 16.5127 16.5127 16.6466 16.6466 16.7924 16.7924 16.9526 16.9526 16.9995 16.9995 21.1133 21.1133 21.1220 21.1220 21.7510 21.7510 21.7536 21.7536 k = 0.2809 0.2809 0.2809 ( 2356 PWs) bands (ev): -51.9136 -51.9136 -37.4466 -37.4466 -24.5323 -24.5323 -21.3674 -21.3674 -21.3674 -21.3674 -14.1748 -14.1748 -13.5281 -13.5281 -13.5234 -13.5234 15.7830 15.7830 16.5056 16.5056 16.6301 16.6301 16.8106 16.8106 16.9709 16.9709 17.0344 17.0344 21.0950 21.0950 21.1105 21.1105 21.7638 21.7638 21.7652 21.7652 k = 0.2865 0.2865 0.2865 ( 2356 PWs) bands (ev): -51.9130 -51.9130 -37.4454 -37.4454 -24.5342 -24.5342 -21.3702 -21.3702 -21.3696 -21.3696 -14.1777 -14.1777 -13.5308 -13.5308 -13.5272 -13.5272 15.8148 15.8148 16.4929 16.4929 16.6075 16.6075 16.8330 16.8330 17.0053 17.0053 17.0751 17.0751 21.0742 21.0742 21.0959 21.0959 21.7779 21.7779 21.7827 21.7827 k = 0.2921 0.2921 0.2921 ( 2350 PWs) bands (ev): -51.9123 -51.9123 -37.4442 -37.4442 -24.5361 -24.5361 -21.3729 -21.3729 -21.3718 -21.3718 -14.1806 -14.1806 -13.5334 -13.5334 -13.5310 -13.5310 15.8357 15.8357 16.4765 16.4765 16.5826 16.5826 16.8619 16.8619 17.0494 17.0494 17.1197 17.1197 21.0513 21.0513 21.0785 21.0785 21.7955 21.7955 21.8031 21.8031 k = 0.2978 0.2978 0.2978 ( 2353 PWs) bands (ev): -51.9117 -51.9117 -37.4431 -37.4431 -24.5380 -24.5380 -21.3757 -21.3757 -21.3740 -21.3740 -14.1836 -14.1836 -13.5361 -13.5361 -13.5347 -13.5347 15.8467 15.8467 16.4576 16.4576 16.5569 16.5569 16.8994 16.8994 17.0984 17.0984 17.1669 17.1669 21.0266 21.0266 21.0587 21.0587 21.8160 21.8160 21.8259 21.8259 k = 0.3034 0.3034 0.3034 ( 2353 PWs) bands (ev): -51.9111 -51.9111 -37.4419 -37.4419 -24.5399 -24.5399 -21.3783 -21.3783 -21.3762 -21.3762 -14.1866 -14.1866 -13.5389 -13.5389 -13.5384 -13.5384 15.8498 15.8498 16.4373 16.4373 16.5310 16.5310 16.9454 16.9454 17.1497 17.1497 17.2156 17.2156 21.0004 21.0004 21.0366 21.0366 21.8392 21.8392 21.8507 21.8507 k = 0.3090 0.3090 0.3090 ( 2353 PWs) bands (ev): -51.9105 -51.9105 -37.4408 -37.4408 -24.5417 -24.5417 -21.3809 -21.3809 -21.3783 -21.3783 -14.1896 -14.1896 -13.5421 -13.5421 -13.5416 -13.5416 15.8469 15.8469 16.4163 16.4163 16.5054 16.5054 16.9986 16.9986 17.2019 17.2019 17.2650 17.2650 20.9731 20.9731 21.0128 21.0128 21.8645 21.8645 21.8771 21.8771 k = 0.3146 0.3146 0.3146 ( 2359 PWs) bands (ev): -51.9099 -51.9099 -37.4397 -37.4397 -24.5436 -24.5436 -21.3834 -21.3834 -21.3804 -21.3804 -14.1926 -14.1926 -13.5458 -13.5458 -13.5444 -13.5444 15.8400 15.8400 16.3951 16.3951 16.4803 16.4803 17.0573 17.0573 17.2544 17.2544 17.3148 17.3148 20.9448 20.9448 20.9873 20.9873 21.8915 21.8915 21.9049 21.9049 k = 0.3202 0.3202 0.3202 ( 2359 PWs) bands (ev): -51.9093 -51.9093 -37.4386 -37.4386 -24.5453 -24.5453 -21.3858 -21.3858 -21.3824 -21.3824 -14.1956 -14.1956 -13.5494 -13.5494 -13.5472 -13.5472 15.8306 15.8306 16.3739 16.3739 16.4559 16.4559 17.1198 17.1198 17.3068 17.3068 17.3644 17.3644 20.9157 20.9157 20.9606 20.9606 21.9200 21.9200 21.9337 21.9337 k = 0.3258 0.3258 0.3258 ( 2359 PWs) bands (ev): -51.9088 -51.9088 -37.4375 -37.4375 -24.5470 -24.5470 -21.3881 -21.3881 -21.3844 -21.3844 -14.1986 -14.1986 -13.5529 -13.5529 -13.5500 -13.5500 15.8203 15.8203 16.3531 16.3531 16.4323 16.4323 17.1845 17.1845 17.3589 17.3589 17.4137 17.4137 20.8860 20.8860 20.9327 20.9327 21.9495 21.9495 21.9633 21.9633 k = 0.3315 0.3315 0.3315 ( 2365 PWs) bands (ev): -51.9082 -51.9082 -37.4364 -37.4364 -24.5487 -24.5487 -21.3904 -21.3904 -21.3864 -21.3864 -14.2017 -14.2017 -13.5564 -13.5564 -13.5529 -13.5529 15.8100 15.8100 16.3329 16.3329 16.4097 16.4097 17.2501 17.2501 17.4107 17.4107 17.4625 17.4625 20.8558 20.8558 20.9039 20.9039 21.9799 21.9799 21.9934 21.9934 k = 0.3371 0.3371 0.3371 ( 2362 PWs) bands (ev): -51.9076 -51.9076 -37.4353 -37.4353 -24.5503 -24.5503 -21.3925 -21.3925 -21.3883 -21.3883 -14.2047 -14.2047 -13.5599 -13.5599 -13.5558 -13.5558 15.8006 15.8006 16.3132 16.3132 16.3881 16.3881 17.3154 17.3154 17.4622 17.4622 17.5105 17.5105 20.8252 20.8252 20.8743 20.8743 22.0108 22.0108 22.0239 22.0239 k = 0.3427 0.3427 0.3427 ( 2362 PWs) bands (ev): -51.9071 -51.9071 -37.4343 -37.4343 -24.5519 -24.5519 -21.3945 -21.3945 -21.3902 -21.3902 -14.2078 -14.2078 -13.5633 -13.5633 -13.5587 -13.5587 15.7925 15.7925 16.2943 16.2943 16.3675 16.3675 17.3794 17.3794 17.5136 17.5136 17.5577 17.5577 20.7944 20.7944 20.8440 20.8440 22.0420 22.0420 22.0545 22.0545 k = 0.3483 0.3483 0.3483 ( 2362 PWs) bands (ev): -51.9066 -51.9066 -37.4333 -37.4333 -24.5534 -24.5534 -21.3964 -21.3964 -21.3920 -21.3920 -14.2108 -14.2108 -13.5666 -13.5666 -13.5616 -13.5616 15.7862 15.7862 16.2762 16.2762 16.3480 16.3480 17.4410 17.4410 17.5651 17.5651 17.6040 17.6040 20.7635 20.7635 20.8133 20.8133 22.0733 22.0733 22.0852 22.0852 k = 0.3539 0.3539 0.3539 ( 2359 PWs) bands (ev): -51.9061 -51.9061 -37.4323 -37.4323 -24.5549 -24.5549 -21.3983 -21.3983 -21.3937 -21.3937 -14.2138 -14.2138 -13.5699 -13.5699 -13.5645 -13.5645 15.7820 15.7820 16.2590 16.2590 16.3296 16.3296 17.4996 17.4996 17.6170 17.6170 17.6493 17.6493 20.7324 20.7324 20.7821 20.7821 22.1045 22.1045 22.1156 22.1156 k = 0.3596 0.3596 0.3596 ( 2359 PWs) bands (ev): -51.9056 -51.9056 -37.4314 -37.4314 -24.5563 -24.5563 -21.4000 -21.4000 -21.3954 -21.3954 -14.2168 -14.2168 -13.5731 -13.5731 -13.5675 -13.5675 15.7800 15.7800 16.2426 16.2426 16.3122 16.3122 17.5546 17.5546 17.6691 17.6691 17.6936 17.6936 20.7013 20.7013 20.7505 20.7505 22.1355 22.1355 22.1458 22.1458 k = 0.3652 0.3652 0.3652 ( 2359 PWs) bands (ev): -51.9051 -51.9051 -37.4304 -37.4304 -24.5577 -24.5577 -21.4016 -21.4016 -21.3970 -21.3970 -14.2198 -14.2198 -13.5762 -13.5762 -13.5704 -13.5704 15.7803 15.7803 16.2271 16.2271 16.2960 16.2960 17.6057 17.6057 17.7215 17.7215 17.7368 17.7368 20.6703 20.6703 20.7188 20.7188 22.1661 22.1661 22.1755 22.1755 k = 0.3708 0.3708 0.3708 ( 2365 PWs) bands (ev): -51.9046 -51.9046 -37.4295 -37.4295 -24.5590 -24.5590 -21.4032 -21.4032 -21.3986 -21.3986 -14.2227 -14.2227 -13.5792 -13.5792 -13.5734 -13.5734 15.7831 15.7831 16.2125 16.2125 16.2807 16.2807 17.6533 17.6533 17.7735 17.7735 17.7788 17.7788 20.6395 20.6395 20.6869 20.6869 22.1961 22.1961 22.2047 22.2047 k = 0.3764 0.3764 0.3764 ( 2365 PWs) bands (ev): -51.9042 -51.9042 -37.4287 -37.4287 -24.5603 -24.5603 -21.4047 -21.4047 -21.4002 -21.4002 -14.2256 -14.2256 -13.5821 -13.5821 -13.5763 -13.5763 15.7882 15.7882 16.1987 16.1987 16.2666 16.2666 17.6974 17.6974 17.8196 17.8196 17.8246 17.8246 20.6089 20.6089 20.6549 20.6549 22.2254 22.2254 22.2332 22.2332 k = 0.3820 0.3820 0.3820 ( 2365 PWs) bands (ev): -51.9037 -51.9037 -37.4278 -37.4278 -24.5615 -24.5615 -21.4060 -21.4060 -21.4016 -21.4016 -14.2284 -14.2284 -13.5850 -13.5850 -13.5792 -13.5792 15.7956 15.7956 16.1859 16.1859 16.2534 16.2534 17.7386 17.7386 17.8593 17.8593 17.8741 17.8741 20.5786 20.5786 20.6231 20.6231 22.2539 22.2539 22.2609 22.2609 k = 0.3876 0.3876 0.3876 ( 2365 PWs) bands (ev): -51.9033 -51.9033 -37.4270 -37.4270 -24.5626 -24.5626 -21.4073 -21.4073 -21.4030 -21.4030 -14.2312 -14.2312 -13.5877 -13.5877 -13.5821 -13.5821 15.8052 15.8052 16.1739 16.1739 16.2413 16.2413 17.7772 17.7772 17.8977 17.8977 17.9216 17.9216 20.5487 20.5487 20.5913 20.5913 22.2816 22.2816 22.2878 22.2878 k = 0.3933 0.3933 0.3933 ( 2359 PWs) bands (ev): -51.9029 -51.9029 -37.4263 -37.4263 -24.5636 -24.5636 -21.4084 -21.4084 -21.4044 -21.4044 -14.2339 -14.2339 -13.5903 -13.5903 -13.5849 -13.5849 15.8168 15.8168 16.1627 16.1627 16.2301 16.2301 17.8134 17.8134 17.9349 17.9349 17.9666 17.9666 20.5192 20.5192 20.5599 20.5599 22.3082 22.3082 22.3137 22.3137 k = 0.3989 0.3989 0.3989 ( 2353 PWs) bands (ev): -51.9025 -51.9025 -37.4255 -37.4255 -24.5646 -24.5646 -21.4094 -21.4094 -21.4056 -21.4056 -14.2365 -14.2365 -13.5929 -13.5929 -13.5877 -13.5877 15.8303 15.8303 16.1524 16.1524 16.2198 16.2198 17.8474 17.8474 17.9707 17.9707 18.0090 18.0090 20.4904 20.4904 20.5288 20.5288 22.3338 22.3338 22.3386 22.3386 k = 0.4045 0.4045 0.4045 ( 2359 PWs) bands (ev): -51.9022 -51.9022 -37.4248 -37.4248 -24.5656 -24.5656 -21.4104 -21.4104 -21.4069 -21.4069 -14.2391 -14.2391 -13.5953 -13.5953 -13.5904 -13.5904 15.8455 15.8455 16.1429 16.1429 16.2105 16.2105 17.8792 17.8792 18.0052 18.0052 18.0483 18.0483 20.4621 20.4621 20.4982 20.4982 22.3582 22.3582 22.3623 22.3623 k = 0.4101 0.4101 0.4101 ( 2356 PWs) bands (ev): -51.9018 -51.9018 -37.4242 -37.4242 -24.5665 -24.5665 -21.4113 -21.4113 -21.4080 -21.4080 -14.2416 -14.2416 -13.5976 -13.5976 -13.5930 -13.5930 15.8621 15.8621 16.1341 16.1341 16.2020 16.2020 17.9090 17.9090 18.0383 18.0383 18.0847 18.0847 20.4347 20.4347 20.4682 20.4682 22.3815 22.3815 22.3850 22.3850 k = 0.4157 0.4157 0.4157 ( 2356 PWs) bands (ev): -51.9015 -51.9015 -37.4236 -37.4236 -24.5674 -24.5674 -21.4121 -21.4121 -21.4091 -21.4091 -14.2439 -14.2439 -13.5997 -13.5997 -13.5955 -13.5955 15.8799 15.8799 16.1261 16.1261 16.1944 16.1944 17.9369 17.9369 18.0699 18.0699 18.1180 18.1180 20.4081 20.4081 20.4389 20.4389 22.4034 22.4034 22.4064 22.4064 k = 0.4213 0.4213 0.4213 ( 2356 PWs) bands (ev): -51.9012 -51.9012 -37.4230 -37.4230 -24.5681 -24.5681 -21.4129 -21.4129 -21.4102 -21.4102 -14.2462 -14.2462 -13.6018 -13.6018 -13.5980 -13.5980 15.8985 15.8985 16.1187 16.1187 16.1877 16.1877 17.9627 17.9627 18.1001 18.1001 18.1483 18.1483 20.3825 20.3825 20.4106 20.4106 22.4241 22.4241 22.4266 22.4266 k = 0.4270 0.4270 0.4270 ( 2347 PWs) bands (ev): -51.9009 -51.9009 -37.4224 -37.4224 -24.5688 -24.5688 -21.4135 -21.4135 -21.4111 -21.4111 -14.2483 -14.2483 -13.6037 -13.6037 -13.6003 -13.6003 15.9178 15.9178 16.1121 16.1121 16.1818 16.1818 17.9865 17.9865 18.1288 18.1288 18.1757 18.1757 20.3580 20.3580 20.3832 20.3832 22.4434 22.4434 22.4455 22.4455 k = 0.4326 0.4326 0.4326 ( 2347 PWs) bands (ev): -51.9006 -51.9006 -37.4219 -37.4219 -24.5695 -24.5695 -21.4141 -21.4141 -21.4119 -21.4119 -14.2504 -14.2504 -13.6055 -13.6055 -13.6025 -13.6025 15.9373 15.9373 16.1061 16.1061 16.1767 16.1767 18.0084 18.0084 18.1558 18.1558 18.2002 18.2002 20.3346 20.3346 20.3570 20.3570 22.4614 22.4614 22.4631 22.4631 k = 0.4382 0.4382 0.4382 ( 2347 PWs) bands (ev): -51.9004 -51.9004 -37.4214 -37.4214 -24.5701 -24.5701 -21.4147 -21.4147 -21.4128 -21.4128 -14.2523 -14.2523 -13.6072 -13.6072 -13.6046 -13.6046 15.9566 15.9566 16.1007 16.1007 16.1724 16.1724 18.0283 18.0283 18.1811 18.1811 18.2219 18.2219 20.3126 20.3126 20.3321 20.3321 22.4779 22.4779 22.4793 22.4793 k = 0.4438 0.4438 0.4438 ( 2347 PWs) bands (ev): -51.9002 -51.9002 -37.4210 -37.4210 -24.5707 -24.5707 -21.4151 -21.4151 -21.4135 -21.4135 -14.2540 -14.2540 -13.6087 -13.6087 -13.6065 -13.6065 15.9756 15.9756 16.0959 16.0959 16.1689 16.1689 18.0462 18.0462 18.2046 18.2046 18.2411 18.2411 20.2919 20.2919 20.3086 20.3086 22.4931 22.4931 22.4942 22.4942 k = 0.4494 0.4494 0.4494 ( 2347 PWs) bands (ev): -51.8999 -51.8999 -37.4206 -37.4206 -24.5712 -24.5712 -21.4155 -21.4155 -21.4142 -21.4142 -14.2556 -14.2556 -13.6101 -13.6101 -13.6083 -13.6083 15.9936 15.9936 16.0916 16.0916 16.1662 16.1662 18.0621 18.0621 18.2263 18.2263 18.2579 18.2579 20.2728 20.2728 20.2868 20.2868 22.5068 22.5068 22.5076 22.5076 k = 0.4551 0.4551 0.4551 ( 2347 PWs) bands (ev): -51.8998 -51.8998 -37.4203 -37.4203 -24.5716 -24.5716 -21.4159 -21.4159 -21.4148 -21.4148 -14.2571 -14.2571 -13.6114 -13.6114 -13.6099 -13.6099 16.0105 16.0105 16.0879 16.0879 16.1644 16.1644 18.0760 18.0760 18.2460 18.2460 18.2724 18.2724 20.2554 20.2554 20.2668 20.2668 22.5191 22.5191 22.5197 22.5197 k = 0.4607 0.4607 0.4607 ( 2341 PWs) bands (ev): -51.8996 -51.8996 -37.4199 -37.4199 -24.5720 -24.5720 -21.4162 -21.4162 -21.4153 -21.4153 -14.2584 -14.2584 -13.6125 -13.6125 -13.6113 -13.6113 16.0258 16.0258 16.0847 16.0847 16.1633 16.1633 18.0880 18.0880 18.2637 18.2637 18.2849 18.2849 20.2397 20.2397 20.2486 20.2486 22.5299 22.5299 22.5304 22.5304 k = 0.4663 0.4663 0.4663 ( 2341 PWs) bands (ev): -51.8995 -51.8995 -37.4197 -37.4197 -24.5723 -24.5723 -21.4165 -21.4165 -21.4158 -21.4158 -14.2595 -14.2595 -13.6135 -13.6135 -13.6126 -13.6126 16.0392 16.0392 16.0819 16.0819 16.1631 16.1631 18.0982 18.0982 18.2792 18.2792 18.2955 18.2955 20.2259 20.2259 20.2326 20.2326 22.5393 22.5393 22.5397 22.5397 k = 0.4719 0.4719 0.4719 ( 2329 PWs) bands (ev): -51.8993 -51.8993 -37.4194 -37.4194 -24.5726 -24.5726 -21.4166 -21.4166 -21.4161 -21.4161 -14.2605 -14.2605 -13.6143 -13.6143 -13.6137 -13.6137 16.0504 16.0504 16.0796 16.0796 16.1636 16.1636 18.1066 18.1066 18.2926 18.2926 18.3042 18.3042 20.2140 20.2140 20.2188 20.2188 22.5473 22.5473 22.5475 22.5475 k = 0.4775 0.4775 0.4775 ( 2320 PWs) bands (ev): -51.8992 -51.8992 -37.4193 -37.4193 -24.5728 -24.5728 -21.4167 -21.4167 -21.4164 -21.4164 -14.2613 -14.2613 -13.6150 -13.6150 -13.6146 -13.6146 16.0595 16.0595 16.0778 16.0778 16.1646 16.1646 18.1133 18.1133 18.3036 18.3036 18.3112 18.3112 20.2041 20.2041 20.2072 20.2072 22.5538 22.5538 22.5539 22.5539 k = 0.4831 0.4831 0.4831 ( 2320 PWs) bands (ev): -51.8992 -51.8992 -37.4191 -37.4191 -24.5729 -24.5729 -21.4169 -21.4169 -21.4167 -21.4167 -14.2620 -14.2620 -13.6155 -13.6155 -13.6153 -13.6153 16.0663 16.0663 16.0764 16.0764 16.1659 16.1659 18.1184 18.1184 18.3122 18.3122 18.3166 18.3166 20.1964 20.1964 20.1982 20.1982 22.5589 22.5589 22.5589 22.5589 k = 0.4888 0.4888 0.4888 ( 2320 PWs) bands (ev): -51.8991 -51.8991 -37.4190 -37.4190 -24.5731 -24.5731 -21.4170 -21.4170 -21.4169 -21.4169 -14.2624 -14.2624 -13.6159 -13.6159 -13.6158 -13.6158 16.0710 16.0710 16.0754 16.0754 16.1672 16.1672 18.1220 18.1220 18.3185 18.3185 18.3205 18.3205 20.1908 20.1908 20.1916 20.1916 22.5625 22.5625 22.5625 22.5625 k = 0.4944 0.4944 0.4944 ( 2320 PWs) bands (ev): -51.8991 -51.8991 -37.4189 -37.4189 -24.5732 -24.5732 -21.4170 -21.4170 -21.4170 -21.4170 -14.2627 -14.2627 -13.6161 -13.6161 -13.6161 -13.6161 16.0737 16.0737 16.0748 16.0748 16.1681 16.1681 18.1241 18.1241 18.3222 18.3222 18.3227 18.3227 20.1875 20.1875 20.1877 20.1877 22.5646 22.5646 22.5647 22.5647 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -51.8991 -51.8991 -37.4189 -37.4189 -24.5732 -24.5732 -21.4170 -21.4170 -21.4170 -21.4170 -14.2628 -14.2628 -13.6162 -13.6162 -13.6162 -13.6162 16.0746 16.0746 16.0746 16.0746 16.1684 16.1684 18.1248 18.1248 18.3235 18.3235 18.3235 18.3235 20.1864 20.1864 20.1864 20.1864 22.5654 22.5654 22.5654 22.5654 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -51.8991 -51.8991 -37.4189 -37.4189 -24.5732 -24.5732 -21.4170 -21.4170 -21.4170 -21.4170 -14.2628 -14.2628 -13.6162 -13.6162 -13.6162 -13.6162 16.0746 16.0746 16.0746 16.0746 16.1684 16.1684 18.1248 18.1248 18.3235 18.3235 18.3235 18.3235 20.1864 20.1864 20.1864 20.1864 22.5654 22.5654 22.5654 22.5654 k = 0.4932 0.5000 0.4932 ( 2320 PWs) bands (ev): -51.8991 -51.8991 -37.4189 -37.4189 -24.5732 -24.5732 -21.4170 -21.4170 -21.4170 -21.4170 -14.2627 -14.2627 -13.6161 -13.6161 -13.6161 -13.6161 16.0737 16.0737 16.0748 16.0748 16.1681 16.1681 18.1241 18.1241 18.3212 18.3212 18.3238 18.3238 20.1869 20.1869 20.1882 20.1882 22.5643 22.5643 22.5650 22.5650 k = 0.4863 0.5000 0.4863 ( 2320 PWs) bands (ev): -51.8991 -51.8991 -37.4190 -37.4190 -24.5731 -24.5731 -21.4171 -21.4171 -21.4168 -21.4168 -14.2624 -14.2624 -13.6160 -13.6160 -13.6157 -13.6157 16.0709 16.0709 16.0754 16.0754 16.1672 16.1672 18.1218 18.1218 18.3143 18.3143 18.3250 18.3250 20.1886 20.1886 20.1938 20.1938 22.5612 22.5612 22.5638 22.5638 k = 0.4795 0.5000 0.4795 ( 2320 PWs) bands (ev): -51.8992 -51.8992 -37.4191 -37.4191 -24.5730 -24.5730 -21.4171 -21.4171 -21.4165 -21.4165 -14.2620 -14.2620 -13.6157 -13.6157 -13.6151 -13.6151 16.0661 16.0661 16.0765 16.0765 16.1660 16.1660 18.1174 18.1174 18.3030 18.3030 18.3274 18.3274 20.1914 20.1914 20.2029 20.2029 22.5561 22.5561 22.5619 22.5619 k = 0.4726 0.5000 0.4726 ( 2320 PWs) bands (ev): -51.8992 -51.8992 -37.4193 -37.4193 -24.5728 -24.5728 -21.4171 -21.4171 -21.4160 -21.4160 -14.2613 -14.2613 -13.6153 -13.6153 -13.6142 -13.6142 16.0592 16.0592 16.0780 16.0780 16.1647 16.1647 18.1103 18.1103 18.2874 18.2874 18.3316 18.3316 20.1952 20.1952 20.2153 20.2153 22.5488 22.5488 22.5592 22.5592 k = 0.4658 0.5000 0.4658 ( 2332 PWs) bands (ev): -51.8993 -51.8993 -37.4194 -37.4194 -24.5726 -24.5726 -21.4172 -21.4172 -21.4155 -21.4155 -14.2605 -14.2605 -13.6149 -13.6149 -13.6131 -13.6131 16.0499 16.0499 16.0799 16.0799 16.1638 16.1638 18.0998 18.0998 18.2678 18.2678 18.3383 18.3383 20.2001 20.2001 20.2308 20.2308 22.5395 22.5395 22.5557 22.5557 k = 0.4589 0.5000 0.4589 ( 2336 PWs) bands (ev): -51.8995 -51.8995 -37.4197 -37.4197 -24.5723 -24.5723 -21.4173 -21.4173 -21.4149 -21.4149 -14.2596 -14.2596 -13.6143 -13.6143 -13.6118 -13.6118 16.0381 16.0381 16.0823 16.0823 16.1634 16.1634 18.0853 18.0853 18.2445 18.2445 18.3479 18.3479 20.2061 20.2061 20.2491 20.2491 22.5282 22.5282 22.5516 22.5516 k = 0.4521 0.5000 0.4521 ( 2340 PWs) bands (ev): -51.8996 -51.8996 -37.4199 -37.4199 -24.5720 -24.5720 -21.4174 -21.4174 -21.4141 -21.4141 -14.2584 -14.2584 -13.6136 -13.6136 -13.6103 -13.6103 16.0240 16.0240 16.0851 16.0851 16.1638 16.1638 18.0666 18.0666 18.2177 18.2177 18.3605 18.3605 20.2130 20.2130 20.2698 20.2698 22.5147 22.5147 22.5468 22.5468 k = 0.4452 0.5000 0.4452 ( 2348 PWs) bands (ev): -51.8998 -51.8998 -37.4202 -37.4202 -24.5717 -24.5717 -21.4176 -21.4176 -21.4132 -21.4132 -14.2572 -14.2572 -13.6129 -13.6129 -13.6085 -13.6085 16.0076 16.0076 16.0883 16.0883 16.1651 16.1651 18.0437 18.0437 18.1879 18.1879 18.3761 18.3761 20.2209 20.2209 20.2926 20.2926 22.4992 22.4992 22.5414 22.5414 k = 0.4384 0.5000 0.4384 ( 2346 PWs) bands (ev): -51.8999 -51.8999 -37.4206 -37.4206 -24.5712 -24.5712 -21.4177 -21.4177 -21.4122 -21.4122 -14.2557 -14.2557 -13.6120 -13.6120 -13.6065 -13.6065 15.9894 15.9894 16.0920 16.0920 16.1672 16.1672 18.0169 18.0169 18.1552 18.1552 18.3942 18.3942 20.2298 20.2298 20.3170 20.3170 22.4816 22.4816 22.5354 22.5354 k = 0.4315 0.5000 0.4315 ( 2342 PWs) bands (ev): -51.9001 -51.9001 -37.4210 -37.4210 -24.5707 -24.5707 -21.4177 -21.4177 -21.4110 -21.4110 -14.2541 -14.2541 -13.6111 -13.6111 -13.6043 -13.6043 15.9694 15.9694 16.0961 16.0961 16.1701 16.1701 17.9864 17.9864 18.1199 18.1199 18.4147 18.4147 20.2395 20.2395 20.3427 20.3427 22.4619 22.4619 22.5289 22.5289 k = 0.4247 0.5000 0.4247 ( 2348 PWs) bands (ev): -51.9004 -51.9004 -37.4214 -37.4214 -24.5702 -24.5702 -21.4179 -21.4179 -21.4097 -21.4097 -14.2524 -14.2524 -13.6101 -13.6101 -13.6019 -13.6019 15.9481 15.9481 16.1007 16.1007 16.1738 16.1738 17.9527 17.9527 18.0822 18.0822 18.4370 18.4370 20.2501 20.2501 20.3694 20.3694 22.4401 22.4401 22.5220 22.5220 k = 0.4178 0.5000 0.4178 ( 2344 PWs) bands (ev): -51.9006 -51.9006 -37.4219 -37.4219 -24.5696 -24.5696 -21.4179 -21.4179 -21.4083 -21.4083 -14.2505 -14.2505 -13.6090 -13.6090 -13.5992 -13.5992 15.9257 15.9257 16.1058 16.1058 16.1783 16.1783 17.9161 17.9161 18.0424 18.0424 18.4607 18.4607 20.2615 20.2615 20.3966 20.3966 22.4163 22.4163 22.5146 22.5146 k = 0.4110 0.5000 0.4110 ( 2356 PWs) bands (ev): -51.9009 -51.9009 -37.4224 -37.4224 -24.5690 -24.5690 -21.4181 -21.4181 -21.4069 -21.4069 -14.2485 -14.2485 -13.6078 -13.6078 -13.5964 -13.5964 15.9025 15.9025 16.1114 16.1114 16.1836 16.1836 17.8771 17.8771 18.0005 18.0005 18.4855 18.4855 20.2737 20.2737 20.4242 20.4242 22.3903 22.3903 22.5069 22.5069 k = 0.4041 0.5000 0.4041 ( 2354 PWs) bands (ev): -51.9011 -51.9011 -37.4229 -37.4229 -24.5683 -24.5683 -21.4181 -21.4181 -21.4052 -21.4052 -14.2464 -14.2464 -13.6065 -13.6065 -13.5934 -13.5934 15.8787 15.8787 16.1174 16.1174 16.1896 16.1896 17.8360 17.8360 17.9568 17.9568 18.5110 18.5110 20.2866 20.2866 20.4518 20.4518 22.3623 22.3623 22.4990 22.4990 k = 0.3973 0.5000 0.3973 ( 2354 PWs) bands (ev): -51.9014 -51.9014 -37.4235 -37.4235 -24.5675 -24.5675 -21.4182 -21.4182 -21.4035 -21.4035 -14.2442 -14.2442 -13.6052 -13.6052 -13.5902 -13.5902 15.8547 15.8547 16.1240 16.1240 16.1964 16.1964 17.7932 17.7932 17.9115 17.9115 18.5369 18.5369 20.3002 20.3002 20.4792 20.4792 22.3322 22.3322 22.4909 22.4909 k = 0.3904 0.5000 0.3904 ( 2354 PWs) bands (ev): -51.9018 -51.9018 -37.4241 -37.4241 -24.5667 -24.5667 -21.4183 -21.4183 -21.4017 -21.4017 -14.2419 -14.2419 -13.6039 -13.6039 -13.5869 -13.5869 15.8307 15.8307 16.1311 16.1311 16.2039 16.2039 17.7489 17.7489 17.8646 17.8646 18.5628 18.5628 20.3144 20.3144 20.5060 20.5060 22.3000 22.3000 22.4827 22.4827 k = 0.3836 0.5000 0.3836 ( 2354 PWs) bands (ev): -51.9021 -51.9021 -37.4247 -37.4247 -24.5659 -24.5659 -21.4183 -21.4183 -21.3997 -21.3997 -14.2395 -14.2395 -13.6025 -13.6025 -13.5834 -13.5834 15.8068 15.8068 16.1387 16.1387 16.2121 16.2121 17.7036 17.7036 17.8164 17.8164 18.5884 18.5884 20.3293 20.3293 20.5322 20.5322 22.2658 22.2658 22.4745 22.4745 k = 0.3767 0.5000 0.3767 ( 2362 PWs) bands (ev): -51.9024 -51.9024 -37.4254 -37.4254 -24.5650 -24.5650 -21.4183 -21.4183 -21.3977 -21.3977 -14.2370 -14.2370 -13.6010 -13.6010 -13.5797 -13.5797 15.7833 15.7833 16.1468 16.1468 16.2210 16.2210 17.6575 17.6575 17.7670 17.7670 18.6136 18.6136 20.3448 20.3448 20.5575 20.5575 22.2295 22.2295 22.4664 22.4664 k = 0.3699 0.5000 0.3699 ( 2362 PWs) bands (ev): -51.9028 -51.9028 -37.4261 -37.4261 -24.5641 -24.5641 -21.4183 -21.4183 -21.3955 -21.3955 -14.2344 -14.2344 -13.5995 -13.5995 -13.5759 -13.5759 15.7603 15.7603 16.1555 16.1555 16.2306 16.2306 17.6107 17.6107 17.7165 17.7165 18.6380 18.6380 20.3609 20.3609 20.5817 20.5817 22.1911 22.1911 22.4584 22.4584 k = 0.3630 0.5000 0.3630 ( 2366 PWs) bands (ev): -51.9032 -51.9032 -37.4268 -37.4268 -24.5631 -24.5631 -21.4183 -21.4183 -21.3932 -21.3932 -14.2318 -14.2318 -13.5980 -13.5980 -13.5720 -13.5720 15.7380 15.7380 16.1648 16.1648 16.2408 16.2408 17.5636 17.5636 17.6653 17.6653 18.6614 18.6614 20.3774 20.3774 20.6046 20.6046 22.1507 22.1507 22.4507 22.4507 k = 0.3562 0.5000 0.3562 ( 2366 PWs) bands (ev): -51.9036 -51.9036 -37.4276 -37.4276 -24.5621 -24.5621 -21.4182 -21.4182 -21.3909 -21.3909 -14.2292 -14.2292 -13.5965 -13.5965 -13.5680 -13.5680 15.7167 15.7167 16.1748 16.1748 16.2517 16.2517 17.5162 17.5162 17.6135 17.6135 18.6836 18.6836 20.3945 20.3945 20.6263 20.6263 22.1083 22.1083 22.4433 22.4433 k = 0.3493 0.5000 0.3493 ( 2362 PWs) bands (ev): -51.9040 -51.9040 -37.4283 -37.4283 -24.5610 -24.5610 -21.4181 -21.4181 -21.3884 -21.3884 -14.2265 -14.2265 -13.5949 -13.5949 -13.5638 -13.5638 15.6963 15.6963 16.1853 16.1853 16.2630 16.2630 17.4689 17.4689 17.5613 17.5613 18.7045 18.7045 20.4121 20.4121 20.6464 20.6464 22.0639 22.0639 22.4362 22.4362 k = 0.3425 0.5000 0.3425 ( 2368 PWs) bands (ev): -51.9044 -51.9044 -37.4292 -37.4292 -24.5599 -24.5599 -21.4180 -21.4180 -21.3858 -21.3858 -14.2238 -14.2238 -13.5933 -13.5933 -13.5596 -13.5596 15.6771 15.6771 16.1965 16.1965 16.2747 16.2747 17.4217 17.4217 17.5090 17.5090 18.7237 18.7237 20.4300 20.4300 20.6650 20.6650 22.0176 22.0176 22.4297 22.4297 k = 0.3356 0.5000 0.3356 ( 2364 PWs) bands (ev): -51.9049 -51.9049 -37.4300 -37.4300 -24.5587 -24.5587 -21.4178 -21.4178 -21.3832 -21.3832 -14.2210 -14.2210 -13.5917 -13.5917 -13.5553 -13.5553 15.6592 15.6592 16.2084 16.2084 16.2868 16.2868 17.3748 17.3748 17.4570 17.4570 18.7413 18.7413 20.4484 20.4484 20.6820 20.6820 21.9692 21.9692 22.4236 22.4236 k = 0.3288 0.5000 0.3288 ( 2364 PWs) bands (ev): -51.9053 -51.9053 -37.4309 -37.4309 -24.5575 -24.5575 -21.4176 -21.4176 -21.3804 -21.3804 -14.2183 -14.2183 -13.5901 -13.5901 -13.5509 -13.5509 15.6426 15.6426 16.2210 16.2210 16.2989 16.2989 17.3281 17.3281 17.4057 17.4057 18.7570 18.7570 20.4671 20.4671 20.6973 20.6973 21.9190 21.9190 22.4182 22.4182 k = 0.3219 0.5000 0.3219 ( 2364 PWs) bands (ev): -51.9058 -51.9058 -37.4317 -37.4317 -24.5562 -24.5562 -21.4173 -21.4173 -21.3776 -21.3776 -14.2156 -14.2156 -13.5886 -13.5886 -13.5464 -13.5464 15.6276 15.6276 16.2344 16.2344 16.3109 16.3109 17.2818 17.2818 17.3555 17.3555 18.7707 18.7707 20.4862 20.4862 20.7109 20.7109 21.8669 21.8669 22.4133 22.4133 k = 0.3151 0.5000 0.3151 ( 2360 PWs) bands (ev): -51.9062 -51.9062 -37.4327 -37.4327 -24.5549 -24.5549 -21.4170 -21.4170 -21.3747 -21.3747 -14.2129 -14.2129 -13.5870 -13.5870 -13.5419 -13.5419 15.6141 15.6141 16.2485 16.2485 16.3225 16.3225 17.2359 17.2359 17.3070 17.3070 18.7824 18.7824 20.5055 20.5055 20.7227 20.7227 21.8129 21.8129 22.4090 22.4090 k = 0.3082 0.5000 0.3082 ( 2368 PWs) bands (ev): -51.9067 -51.9067 -37.4336 -37.4336 -24.5536 -24.5536 -21.4166 -21.4166 -21.3718 -21.3718 -14.2102 -14.2102 -13.5854 -13.5854 -13.5374 -13.5374 15.6023 15.6023 16.2633 16.2633 16.3333 16.3333 17.1902 17.1902 17.2609 17.2609 18.7918 18.7918 20.5251 20.5251 20.7328 20.7328 21.7571 21.7571 22.4054 22.4054 k = 0.3014 0.5000 0.3014 ( 2372 PWs) bands (ev): -51.9072 -51.9072 -37.4345 -37.4345 -24.5522 -24.5522 -21.4162 -21.4162 -21.3687 -21.3687 -14.2075 -14.2075 -13.5839 -13.5839 -13.5328 -13.5328 15.5922 15.5922 16.2789 16.2789 16.3429 16.3429 17.1448 17.1448 17.2180 17.2180 18.7991 18.7991 20.5448 20.5448 20.7411 20.7411 21.6996 21.6996 22.4024 22.4024 k = 0.2945 0.5000 0.2945 ( 2368 PWs) bands (ev): -51.9077 -51.9077 -37.4355 -37.4355 -24.5508 -24.5508 -21.4157 -21.4157 -21.3656 -21.3656 -14.2049 -14.2049 -13.5823 -13.5823 -13.5283 -13.5283 15.5839 15.5839 16.2952 16.2952 16.3508 16.3508 17.0995 17.0995 17.1791 17.1791 18.8041 18.8041 20.5647 20.5647 20.7476 20.7476 21.6403 21.6403 22.4001 22.4001 k = 0.2877 0.5000 0.2877 ( 2360 PWs) bands (ev): -51.9082 -51.9082 -37.4365 -37.4365 -24.5493 -24.5493 -21.4152 -21.4152 -21.3624 -21.3624 -14.2024 -14.2024 -13.5808 -13.5808 -13.5237 -13.5237 15.5774 15.5774 16.3118 16.3118 16.3566 16.3566 17.0547 17.0547 17.1450 17.1450 18.8069 18.8069 20.5846 20.5846 20.7524 20.7524 21.5794 21.5794 22.3982 22.3982 k = 0.2808 0.5000 0.2808 ( 2362 PWs) bands (ev): -51.9087 -51.9087 -37.4374 -37.4374 -24.5478 -24.5478 -21.4146 -21.4146 -21.3592 -21.3592 -14.1999 -14.1999 -13.5794 -13.5794 -13.5191 -13.5191 15.5729 15.5729 16.3279 16.3279 16.3604 16.3604 17.0104 17.0104 17.1164 17.1164 18.8073 18.8073 20.6046 20.6046 20.7555 20.7555 21.5169 21.5169 22.3969 22.3969 k = 0.2740 0.5000 0.2740 ( 2362 PWs) bands (ev): -51.9092 -51.9092 -37.4384 -37.4384 -24.5463 -24.5463 -21.4140 -21.4140 -21.3559 -21.3559 -14.1975 -14.1975 -13.5779 -13.5779 -13.5145 -13.5145 15.5703 15.5703 16.3393 16.3393 16.3658 16.3658 16.9670 16.9670 17.0940 17.0940 18.8054 18.8054 20.6244 20.6244 20.7571 20.7571 21.4529 21.4529 22.3961 22.3961 k = 0.2671 0.5000 0.2671 ( 2366 PWs) bands (ev): -51.9097 -51.9097 -37.4394 -37.4394 -24.5448 -24.5448 -21.4133 -21.4133 -21.3526 -21.3526 -14.1951 -14.1951 -13.5766 -13.5766 -13.5099 -13.5099 15.5697 15.5697 16.3388 16.3388 16.3794 16.3794 16.9248 16.9248 17.0783 17.0783 18.8012 18.8012 20.6439 20.6439 20.7572 20.7572 21.3874 21.3874 22.3955 22.3955 k = 0.2603 0.5000 0.2603 ( 2360 PWs) bands (ev): -51.9102 -51.9102 -37.4405 -37.4405 -24.5432 -24.5432 -21.4125 -21.4125 -21.3492 -21.3492 -14.1929 -14.1929 -13.5752 -13.5752 -13.5054 -13.5054 15.5711 15.5711 16.3284 16.3284 16.3985 16.3985 16.8839 16.8839 17.0699 17.0699 18.7948 18.7948 20.6629 20.6629 20.7561 20.7561 21.3206 21.3206 22.3952 22.3952 k = 0.2534 0.5000 0.2534 ( 2360 PWs) bands (ev): -51.9107 -51.9107 -37.4415 -37.4415 -24.5416 -24.5416 -21.4117 -21.4117 -21.3458 -21.3458 -14.1907 -14.1907 -13.5739 -13.5739 -13.5009 -13.5009 15.5745 15.5745 16.3114 16.3114 16.4198 16.4198 16.8444 16.8444 17.0688 17.0688 18.7862 18.7862 20.6809 20.6809 20.7541 20.7541 21.2525 21.2525 22.3948 22.3948 k = 0.2466 0.5000 0.2466 ( 2360 PWs) bands (ev): -51.9112 -51.9112 -37.4425 -37.4425 -24.5400 -24.5400 -21.4109 -21.4109 -21.3424 -21.3424 -14.1886 -14.1886 -13.5726 -13.5726 -13.4965 -13.4965 15.5800 15.5800 16.2889 16.2889 16.4425 16.4425 16.8064 16.8064 17.0750 17.0750 18.7755 18.7755 20.6969 20.6969 20.7524 20.7524 21.1832 21.1832 22.3944 22.3944 k = 0.2397 0.5000 0.2397 ( 2352 PWs) bands (ev): -51.9117 -51.9117 -37.4435 -37.4435 -24.5384 -24.5384 -21.4100 -21.4100 -21.3389 -21.3389 -14.1867 -14.1867 -13.5714 -13.5714 -13.4921 -13.4921 15.5876 15.5876 16.2616 16.2616 16.4661 16.4661 16.7701 16.7701 17.0882 17.0882 18.7626 18.7626 20.7083 20.7083 20.7531 20.7531 21.1131 21.1131 22.3937 22.3937 k = 0.2329 0.5000 0.2329 ( 2344 PWs) bands (ev): -51.9123 -51.9123 -37.4445 -37.4445 -24.5367 -24.5367 -21.4090 -21.4090 -21.3353 -21.3353 -14.1848 -14.1848 -13.5702 -13.5702 -13.4878 -13.4878 15.5972 15.5972 16.2303 16.2303 16.4903 16.4903 16.7358 16.7358 17.1076 17.1076 18.7478 18.7478 20.7120 20.7120 20.7594 20.7594 21.0426 21.0426 22.3924 22.3924 k = 0.2260 0.5000 0.2260 ( 2352 PWs) bands (ev): -51.9128 -51.9128 -37.4456 -37.4456 -24.5351 -24.5351 -21.4081 -21.4081 -21.3319 -21.3319 -14.1830 -14.1830 -13.5691 -13.5691 -13.4836 -13.4836 15.6088 15.6088 16.1959 16.1959 16.5144 16.5144 16.7040 16.7040 17.1329 17.1329 18.7310 18.7310 20.7083 20.7083 20.7696 20.7696 20.9725 20.9725 22.3904 22.3904 k = 0.2192 0.5000 0.2192 ( 2352 PWs) bands (ev): -51.9133 -51.9133 -37.4466 -37.4466 -24.5334 -24.5334 -21.4071 -21.4071 -21.3284 -21.3284 -14.1814 -14.1814 -13.5680 -13.5680 -13.4794 -13.4794 15.6225 15.6225 16.1590 16.1590 16.5370 16.5370 16.6763 16.6763 17.1632 17.1632 18.7124 18.7124 20.7006 20.7006 20.7774 20.7774 20.9064 20.9064 22.3873 22.3873 k = 0.2123 0.5000 0.2123 ( 2356 PWs) bands (ev): -51.9138 -51.9138 -37.4476 -37.4476 -24.5318 -24.5318 -21.4061 -21.4061 -21.3250 -21.3250 -14.1799 -14.1799 -13.5670 -13.5670 -13.4754 -13.4754 15.6382 15.6382 16.1203 16.1203 16.5538 16.5538 16.6569 16.6569 17.1982 17.1982 18.6920 18.6920 20.6905 20.6905 20.7664 20.7664 20.8590 20.8590 22.3828 22.3828 k = 0.2055 0.5000 0.2055 ( 2356 PWs) bands (ev): -51.9143 -51.9143 -37.4486 -37.4486 -24.5302 -24.5302 -21.4050 -21.4050 -21.3215 -21.3215 -14.1784 -14.1784 -13.5661 -13.5661 -13.4714 -13.4714 15.6558 15.6558 16.0805 16.0805 16.5562 16.5562 16.6544 16.6544 17.2373 17.2373 18.6700 18.6700 20.6787 20.6787 20.7165 20.7165 20.8496 20.8496 22.3768 22.3768 k = 0.1986 0.5000 0.1986 ( 2356 PWs) bands (ev): -51.9148 -51.9148 -37.4496 -37.4496 -24.5285 -24.5285 -21.4039 -21.4039 -21.3181 -21.3181 -14.1771 -14.1771 -13.5651 -13.5651 -13.4675 -13.4675 15.6753 15.6753 16.0400 16.0400 16.5424 16.5424 16.6705 16.6705 17.2801 17.2801 18.6464 18.6464 20.6466 20.6466 20.6667 20.6667 20.8582 20.8582 22.3687 22.3687 k = 0.1918 0.5000 0.1918 ( 2360 PWs) bands (ev): -51.9153 -51.9153 -37.4506 -37.4506 -24.5269 -24.5269 -21.4027 -21.4027 -21.3147 -21.3147 -14.1759 -14.1759 -13.5643 -13.5643 -13.4637 -13.4637 15.6966 15.6966 15.9994 15.9994 16.5208 16.5208 16.6967 16.6967 17.3263 17.3263 18.6214 18.6214 20.5724 20.5724 20.6525 20.6525 20.8709 20.8709 22.3584 22.3584 k = 0.1849 0.5000 0.1849 ( 2360 PWs) bands (ev): -51.9158 -51.9158 -37.4515 -37.4515 -24.5253 -24.5253 -21.4016 -21.4016 -21.3113 -21.3113 -14.1748 -14.1748 -13.5635 -13.5635 -13.4600 -13.4600 15.7194 15.7194 15.9591 15.9591 16.4969 16.4969 16.7278 16.7278 17.3756 17.3756 18.5950 18.5950 20.4958 20.4958 20.6378 20.6378 20.8844 20.8844 22.3454 22.3454 k = 0.1781 0.5000 0.1781 ( 2352 PWs) bands (ev): -51.9162 -51.9162 -37.4525 -37.4525 -24.5236 -24.5236 -21.4003 -21.4003 -21.3079 -21.3079 -14.1739 -14.1739 -13.5627 -13.5627 -13.4565 -13.4565 15.7435 15.7435 15.9196 15.9196 16.4727 16.4727 16.7615 16.7615 17.4278 17.4278 18.5673 18.5673 20.4179 20.4179 20.6225 20.6225 20.8977 20.8977 22.3294 22.3294 k = 0.1712 0.5000 0.1712 ( 2350 PWs) bands (ev): -51.9167 -51.9167 -37.4534 -37.4534 -24.5220 -24.5220 -21.3991 -21.3991 -21.3046 -21.3046 -14.1730 -14.1730 -13.5620 -13.5620 -13.4530 -13.4530 15.7676 15.7676 15.8825 15.8825 16.4489 16.4489 16.7973 16.7973 17.4827 17.4827 18.5384 18.5384 20.3392 20.3392 20.6066 20.6066 20.9102 20.9102 22.3102 22.3102 k = 0.1644 0.5000 0.1644 ( 2350 PWs) bands (ev): -51.9171 -51.9171 -37.4543 -37.4543 -24.5205 -24.5205 -21.3979 -21.3979 -21.3013 -21.3013 -14.1722 -14.1722 -13.5613 -13.5613 -13.4497 -13.4497 15.7863 15.7863 15.8531 15.8531 16.4258 16.4258 16.8348 16.8348 17.5402 17.5402 18.5085 18.5085 20.2599 20.2599 20.5903 20.5903 20.9217 20.9217 22.2876 22.2876 k = 0.1575 0.5000 0.1575 ( 2350 PWs) bands (ev): -51.9176 -51.9176 -37.4552 -37.4552 -24.5189 -24.5189 -21.3967 -21.3967 -21.2981 -21.2981 -14.1715 -14.1715 -13.5607 -13.5607 -13.4464 -13.4464 15.7796 15.7796 15.8517 15.8517 16.4036 16.4036 16.8737 16.8737 17.6000 17.6000 18.4775 18.4775 20.1802 20.1802 20.5737 20.5737 20.9318 20.9318 22.2615 22.2615 k = 0.1507 0.5000 0.1507 ( 2362 PWs) bands (ev): -51.9180 -51.9180 -37.4561 -37.4561 -24.5175 -24.5175 -21.3956 -21.3956 -21.2951 -21.2951 -14.1710 -14.1710 -13.5601 -13.5601 -13.4433 -13.4433 15.7502 15.7502 15.8754 15.8754 16.3824 16.3824 16.9140 16.9140 17.6620 17.6620 18.4457 18.4457 20.1004 20.1004 20.5569 20.5569 20.9404 20.9404 22.2318 22.2318 k = 0.1438 0.5000 0.1438 ( 2362 PWs) bands (ev): -51.9184 -51.9184 -37.4569 -37.4569 -24.5160 -24.5160 -21.3944 -21.3944 -21.2921 -21.2921 -14.1705 -14.1705 -13.5596 -13.5596 -13.4404 -13.4404 15.7163 15.7163 15.9061 15.9061 16.3622 16.3622 16.9556 16.9556 17.7262 17.7262 18.4130 18.4130 20.0204 20.0204 20.5400 20.5400 20.9470 20.9470 22.1987 22.1987 k = 0.1370 0.5000 0.1370 ( 2350 PWs) bands (ev): -51.9188 -51.9188 -37.4577 -37.4577 -24.5145 -24.5145 -21.3931 -21.3931 -21.2890 -21.2890 -14.1701 -14.1701 -13.5591 -13.5591 -13.4375 -13.4375 15.6822 15.6822 15.9396 15.9396 16.3431 16.3431 16.9984 16.9984 17.7923 17.7923 18.3797 18.3797 19.9404 19.9404 20.5231 20.5231 20.9515 20.9515 22.1625 22.1625 k = 0.1301 0.5000 0.1301 ( 2354 PWs) bands (ev): -51.9192 -51.9192 -37.4585 -37.4585 -24.5131 -24.5131 -21.3920 -21.3920 -21.2862 -21.2862 -14.1698 -14.1698 -13.5587 -13.5587 -13.4348 -13.4348 15.6488 15.6488 15.9748 15.9748 16.3250 16.3250 17.0424 17.0424 17.8602 17.8602 18.3458 18.3458 19.8605 19.8605 20.5064 20.5064 20.9533 20.9533 22.1234 22.1234 k = 0.1233 0.5000 0.1233 ( 2358 PWs) bands (ev): -51.9196 -51.9196 -37.4593 -37.4593 -24.5118 -24.5118 -21.3908 -21.3908 -21.2835 -21.2835 -14.1695 -14.1695 -13.5583 -13.5583 -13.4322 -13.4322 15.6166 15.6166 16.0113 16.0113 16.3079 16.3079 17.0875 17.0875 17.9298 17.9298 18.3115 18.3115 19.7809 19.7809 20.4898 20.4898 20.9520 20.9520 22.0819 22.0819 k = 0.1164 0.5000 0.1164 ( 2354 PWs) bands (ev): -51.9199 -51.9199 -37.4600 -37.4600 -24.5105 -24.5105 -21.3897 -21.3897 -21.2808 -21.2808 -14.1693 -14.1693 -13.5579 -13.5579 -13.4298 -13.4298 15.5857 15.5857 16.0487 16.0487 16.2920 16.2920 17.1336 17.1336 18.0008 18.0008 18.2770 18.2770 19.7017 19.7017 20.4735 20.4735 20.9472 20.9472 22.0385 22.0385 k = 0.1096 0.5000 0.1096 ( 2348 PWs) bands (ev): -51.9203 -51.9203 -37.4607 -37.4607 -24.5092 -24.5092 -21.3886 -21.3886 -21.2782 -21.2782 -14.1692 -14.1692 -13.5576 -13.5576 -13.4274 -13.4274 15.5563 15.5563 16.0868 16.0868 16.2771 16.2771 17.1807 17.1807 18.0728 18.0728 18.2427 18.2427 19.6230 19.6230 20.4576 20.4576 20.9381 20.9381 21.9938 21.9938 k = 0.1027 0.5000 0.1027 ( 2348 PWs) bands (ev): -51.9206 -51.9206 -37.4614 -37.4614 -24.5080 -24.5080 -21.3875 -21.3875 -21.2758 -21.2758 -14.1691 -14.1691 -13.5573 -13.5573 -13.4253 -13.4253 15.5283 15.5283 16.1253 16.1253 16.2635 16.2635 17.2286 17.2286 18.1429 18.1429 18.2114 18.2114 19.5450 19.5450 20.4421 20.4421 20.9241 20.9241 21.9481 21.9481 k = 0.0959 0.5000 0.0959 ( 2348 PWs) bands (ev): -51.9209 -51.9209 -37.4620 -37.4620 -24.5069 -24.5069 -21.3865 -21.3865 -21.2735 -21.2735 -14.1691 -14.1691 -13.5570 -13.5570 -13.4232 -13.4232 15.5020 15.5020 16.1635 16.1635 16.2514 16.2514 17.2772 17.2772 18.1634 18.1634 18.2308 18.2308 19.4679 19.4679 20.4272 20.4272 20.9045 20.9045 21.9019 21.9019 k = 0.0890 0.5000 0.0890 ( 2348 PWs) bands (ev): -51.9212 -51.9212 -37.4626 -37.4626 -24.5058 -24.5058 -21.3856 -21.3856 -21.2713 -21.2713 -14.1691 -14.1691 -13.5568 -13.5568 -13.4213 -13.4213 15.4773 15.4773 16.1994 16.1994 16.2426 16.2426 17.3264 17.3264 18.1326 18.1326 18.3027 18.3027 19.3918 19.3918 20.4130 20.4130 20.8787 20.8787 21.8556 21.8556 k = 0.0822 0.5000 0.0822 ( 2344 PWs) bands (ev): -51.9215 -51.9215 -37.4631 -37.4631 -24.5048 -24.5048 -21.3847 -21.3847 -21.2693 -21.2693 -14.1691 -14.1691 -13.5565 -13.5565 -13.4195 -13.4195 15.4543 15.4543 16.2173 16.2173 16.2526 16.2526 17.3760 17.3760 18.0991 18.0991 18.3782 18.3782 19.3170 19.3170 20.3994 20.3994 20.8462 20.8462 21.8095 21.8095 k = 0.0753 0.5000 0.0753 ( 2352 PWs) bands (ev): -51.9217 -51.9217 -37.4636 -37.4636 -24.5039 -24.5039 -21.3838 -21.3838 -21.2674 -21.2674 -14.1692 -14.1692 -13.5564 -13.5564 -13.4179 -13.4179 15.4330 15.4330 16.2121 16.2121 16.2859 16.2859 17.4258 17.4258 18.0658 18.0658 18.4544 18.4544 19.2437 19.2437 20.3866 20.3866 20.8069 20.8069 21.7645 21.7645 k = 0.0685 0.5000 0.0685 ( 2352 PWs) bands (ev): -51.9219 -51.9219 -37.4641 -37.4641 -24.5031 -24.5031 -21.3831 -21.3831 -21.2657 -21.2657 -14.1693 -14.1693 -13.5562 -13.5562 -13.4164 -13.4164 15.4134 15.4134 16.2041 16.2041 16.3221 16.3221 17.4753 17.4753 18.0335 18.0335 18.5305 18.5305 19.1723 19.1723 20.3746 20.3746 20.7610 20.7610 21.7222 21.7222 k = 0.0616 0.5000 0.0616 ( 2352 PWs) bands (ev): -51.9221 -51.9221 -37.4645 -37.4645 -24.5023 -24.5023 -21.3823 -21.3823 -21.2641 -21.2641 -14.1694 -14.1694 -13.5560 -13.5560 -13.4151 -13.4151 15.3957 15.3957 16.1963 16.1963 16.3577 16.3577 17.5241 17.5241 18.0027 18.0027 18.6057 18.6057 19.1033 19.1033 20.3634 20.3634 20.7096 20.7096 21.6842 21.6842 k = 0.0548 0.5000 0.0548 ( 2364 PWs) bands (ev): -51.9223 -51.9223 -37.4649 -37.4649 -24.5016 -24.5016 -21.3817 -21.3817 -21.2627 -21.2627 -14.1695 -14.1695 -13.5559 -13.5559 -13.4139 -13.4139 15.3797 15.3797 16.1892 16.1892 16.3918 16.3918 17.5717 17.5717 17.9738 17.9738 18.6793 18.6793 19.0371 19.0371 20.3532 20.3532 20.6539 20.6539 21.6515 21.6515 k = 0.0479 0.5000 0.0479 ( 2364 PWs) bands (ev): -51.9225 -51.9225 -37.4653 -37.4653 -24.5010 -24.5010 -21.3811 -21.3811 -21.2614 -21.2614 -14.1696 -14.1696 -13.5558 -13.5558 -13.4128 -13.4128 15.3656 15.3656 16.1829 16.1829 16.4238 16.4238 17.6173 17.6173 17.9477 17.9477 18.7500 18.7500 18.9747 18.9747 20.3437 20.3437 20.5959 20.5959 21.6242 21.6242 k = 0.0411 0.5000 0.0411 ( 2368 PWs) bands (ev): -51.9226 -51.9226 -37.4656 -37.4656 -24.5005 -24.5005 -21.3806 -21.3806 -21.2603 -21.2603 -14.1697 -14.1697 -13.5557 -13.5557 -13.4119 -13.4119 15.3533 15.3533 16.1774 16.1774 16.4531 16.4531 17.6596 17.6596 17.9251 17.9251 18.8149 18.8149 18.9189 18.9189 20.3351 20.3351 20.5376 20.5376 21.6018 21.6018 k = 0.0342 0.5000 0.0342 ( 2376 PWs) bands (ev): -51.9228 -51.9228 -37.4658 -37.4658 -24.5000 -24.5000 -21.3802 -21.3802 -21.2594 -21.2594 -14.1698 -14.1698 -13.5556 -13.5556 -13.4111 -13.4111 15.3429 15.3429 16.1727 16.1727 16.4791 16.4791 17.6969 17.6969 17.9072 17.9072 18.8437 18.8437 18.8992 18.8992 20.3270 20.3270 20.4819 20.4819 21.5836 21.5836 k = 0.0274 0.5000 0.0274 ( 2376 PWs) bands (ev): -51.9229 -51.9229 -37.4660 -37.4660 -24.4997 -24.4997 -21.3798 -21.3798 -21.2586 -21.2586 -14.1699 -14.1699 -13.5556 -13.5556 -13.4104 -13.4104 15.3344 15.3344 16.1689 16.1689 16.5014 16.5014 17.7272 17.7272 17.8955 17.8955 18.8062 18.8062 18.9455 18.9455 20.3190 20.3190 20.4317 20.4317 21.5690 21.5690 k = 0.0205 0.5000 0.0205 ( 2372 PWs) bands (ev): -51.9229 -51.9229 -37.4662 -37.4662 -24.4993 -24.4993 -21.3795 -21.3795 -21.2580 -21.2580 -14.1699 -14.1699 -13.5555 -13.5555 -13.4099 -13.4099 15.3277 15.3277 16.1660 16.1660 16.5194 16.5194 17.7483 17.7483 17.8909 17.8909 18.7680 18.7680 18.9915 18.9915 20.3101 20.3101 20.3908 20.3908 21.5575 21.5575 k = 0.0137 0.5000 0.0137 ( 2364 PWs) bands (ev): -51.9230 -51.9230 -37.4663 -37.4663 -24.4991 -24.4991 -21.3793 -21.3793 -21.2575 -21.2575 -14.1700 -14.1700 -13.5555 -13.5555 -13.4096 -13.4096 15.3230 15.3230 16.1639 16.1639 16.5326 16.5326 17.7601 17.7601 17.8924 17.8924 18.7383 18.7383 19.0274 19.0274 20.2995 20.2995 20.3631 20.3631 21.5491 21.5492 k = 0.0068 0.5000 0.0068 ( 2360 PWs) bands (ev): -51.9230 -51.9230 -37.4664 -37.4664 -24.4989 -24.4989 -21.3791 -21.3791 -21.2572 -21.2572 -14.1700 -14.1700 -13.5555 -13.5555 -13.4094 -13.4094 15.3201 15.3201 16.1626 16.1626 16.5407 16.5407 17.7651 17.7651 17.8960 17.8960 18.7195 18.7195 19.0502 19.0502 20.2894 20.2894 20.3489 20.3489 21.5440 21.5440 k = 0.0000 0.5000-0.0000 ( 2360 PWs) bands (ev): -51.9230 -51.9230 -37.4664 -37.4664 -24.4989 -24.4989 -21.3791 -21.3791 -21.2571 -21.2571 -14.1700 -14.1700 -13.5555 -13.5555 -13.4093 -13.4093 15.3192 15.3192 16.1622 16.1622 16.5434 16.5434 17.7664 17.7664 17.8978 17.8978 18.7130 18.7130 19.0581 19.0581 20.2852 20.2852 20.3449 20.3449 21.5422 21.5422 k = 0.5000 0.5000-0.0000 ( 2360 PWs) bands (ev): -51.9109 -51.9109 -37.4412 -37.4412 -24.5472 -24.5472 -21.4606 -21.4606 -21.3109 -21.3109 -14.1756 -14.1756 -13.5922 -13.5922 -13.4380 -13.4380 14.5613 14.5613 14.8517 14.8517 16.4632 16.4632 16.5377 16.5377 20.0945 20.0945 20.5920 20.5920 20.9146 20.9146 21.1116 21.1116 21.5195 21.5195 22.4888 22.4888 k = 0.5000 0.5000 0.0096 ( 2360 PWs) bands (ev): -51.9109 -51.9109 -37.4412 -37.4412 -24.5472 -24.5472 -21.4606 -21.4606 -21.3110 -21.3110 -14.1757 -14.1757 -13.5922 -13.5922 -13.4382 -13.4382 14.5626 14.5626 14.8539 14.8539 16.4628 16.4628 16.5373 16.5373 20.0946 20.0946 20.5920 20.5920 20.9086 20.9086 21.1050 21.1050 21.5202 21.5202 22.4889 22.4889 k = 0.5000 0.5000 0.0192 ( 2360 PWs) bands (ev): -51.9108 -51.9108 -37.4412 -37.4412 -24.5473 -24.5473 -21.4605 -21.4605 -21.3113 -21.3113 -14.1759 -14.1759 -13.5923 -13.5923 -13.4387 -13.4387 14.5665 14.5665 14.8604 14.8604 16.4615 16.4615 16.5360 16.5360 20.0949 20.0949 20.5922 20.5922 20.8907 20.8907 21.0853 21.0853 21.5223 21.5223 22.4891 22.4891 k = 0.5000 0.5000 0.0288 ( 2364 PWs) bands (ev): -51.9108 -51.9108 -37.4411 -37.4411 -24.5474 -24.5474 -21.4603 -21.4603 -21.3118 -21.3118 -14.1763 -14.1763 -13.5924 -13.5924 -13.4396 -13.4396 14.5730 14.5730 14.8711 14.8711 16.4594 16.4594 16.5338 16.5338 20.0952 20.0952 20.5925 20.5925 20.8617 20.8617 21.0535 21.0535 21.5259 21.5259 22.4894 22.4894 k = 0.5000 0.5000 0.0385 ( 2380 PWs) bands (ev): -51.9107 -51.9107 -37.4409 -37.4409 -24.5477 -24.5477 -21.4601 -21.4601 -21.3126 -21.3126 -14.1767 -14.1767 -13.5925 -13.5925 -13.4408 -13.4408 14.5821 14.5821 14.8862 14.8862 16.4565 16.4565 16.5307 16.5307 20.0958 20.0958 20.5928 20.5928 20.8227 20.8227 21.0108 21.0108 21.5308 21.5308 22.4899 22.4899 k = 0.5000 0.5000 0.0481 ( 2372 PWs) bands (ev): -51.9106 -51.9106 -37.4407 -37.4407 -24.5478 -24.5478 -21.4597 -21.4597 -21.3134 -21.3134 -14.1774 -14.1774 -13.5927 -13.5927 -13.4423 -13.4423 14.5937 14.5937 14.9056 14.9056 16.4527 16.4527 16.5268 16.5268 20.0965 20.0965 20.5927 20.5927 20.7752 20.7752 20.9586 20.9586 21.5372 21.5372 22.4906 22.4906 k = 0.5000 0.5000 0.0577 ( 2356 PWs) bands (ev): -51.9105 -51.9105 -37.4405 -37.4405 -24.5480 -24.5480 -21.4592 -21.4592 -21.3144 -21.3144 -14.1782 -14.1782 -13.5929 -13.5929 -13.4442 -13.4442 14.6078 14.6078 14.9292 14.9292 16.4482 16.4482 16.5221 16.5221 20.0973 20.0973 20.5915 20.5915 20.7212 20.7212 20.8984 20.8984 21.5450 21.5450 22.4913 22.4913 k = 0.5000 0.5000 0.0673 ( 2356 PWs) bands (ev): -51.9104 -51.9104 -37.4403 -37.4403 -24.5483 -24.5483 -21.4587 -21.4587 -21.3157 -21.3157 -14.1791 -14.1791 -13.5932 -13.5932 -13.4464 -13.4464 14.6244 14.6244 14.9570 14.9570 16.4429 16.4429 16.5166 16.5166 20.0982 20.0982 20.5859 20.5859 20.6655 20.6655 20.8317 20.8317 21.5542 21.5542 22.4922 22.4922 k = 0.5000 0.5000 0.0769 ( 2356 PWs) bands (ev): -51.9102 -51.9102 -37.4400 -37.4400 -24.5486 -24.5486 -21.4581 -21.4581 -21.3171 -21.3171 -14.1801 -14.1801 -13.5935 -13.5935 -13.4489 -13.4489 14.6434 14.6434 14.9890 14.9890 16.4369 16.4369 16.5103 16.5103 20.0993 20.0993 20.5593 20.5593 20.6256 20.6256 20.7598 20.7598 21.5647 21.5647 22.4933 22.4933 k = 0.5000 0.5000 0.0865 ( 2356 PWs) bands (ev): -51.9100 -51.9100 -37.4396 -37.4396 -24.5490 -24.5490 -21.4575 -21.4575 -21.3188 -21.3188 -14.1813 -14.1813 -13.5939 -13.5939 -13.4517 -13.4517 14.6648 14.6648 15.0251 15.0251 16.4302 16.4302 16.5033 16.5033 20.1005 20.1005 20.4999 20.4999 20.6142 20.6142 20.6838 20.6838 21.5766 21.5766 22.4944 22.4944 k = 0.5000 0.5000 0.0962 ( 2348 PWs) bands (ev): -51.9098 -51.9098 -37.4393 -37.4393 -24.5493 -24.5493 -21.4567 -21.4567 -21.3205 -21.3205 -14.1826 -14.1826 -13.5943 -13.5943 -13.4548 -13.4548 14.6884 14.6884 15.0653 15.0653 16.4228 16.4228 16.4956 16.4956 20.1018 20.1018 20.4280 20.4280 20.6048 20.6048 20.6123 20.6123 21.5899 21.5899 22.4957 22.4957 k = 0.5000 0.5000 0.1058 ( 2348 PWs) bands (ev): -51.9096 -51.9096 -37.4389 -37.4389 -24.5498 -24.5498 -21.4560 -21.4560 -21.3225 -21.3225 -14.1840 -14.1840 -13.5947 -13.5947 -13.4582 -13.4582 14.7143 14.7143 15.1095 15.1095 16.4148 16.4148 16.4872 16.4872 20.1031 20.1031 20.3513 20.3513 20.5235 20.5235 20.6127 20.6127 21.6045 21.6045 22.4970 22.4970 k = 0.5000 0.5000 0.1154 ( 2348 PWs) bands (ev): -51.9094 -51.9094 -37.4384 -37.4384 -24.5502 -24.5502 -21.4552 -21.4552 -21.3246 -21.3246 -14.1856 -14.1856 -13.5952 -13.5952 -13.4618 -13.4618 14.7424 14.7424 15.1576 15.1576 16.4063 16.4063 16.4782 16.4782 20.1044 20.1044 20.2721 20.2721 20.4407 20.4407 20.6139 20.6139 21.6204 21.6204 22.4985 22.4985 k = 0.5000 0.5000 0.1250 ( 2348 PWs) bands (ev): -51.9092 -51.9092 -37.4380 -37.4380 -24.5508 -24.5508 -21.4543 -21.4543 -21.3269 -21.3269 -14.1872 -14.1872 -13.5957 -13.5957 -13.4657 -13.4657 14.7725 14.7725 15.2095 15.2095 16.3972 16.3972 16.4687 16.4687 20.1056 20.1056 20.1912 20.1912 20.3573 20.3573 20.6153 20.6153 21.6375 21.6375 22.5001 22.5001 k = 0.5000 0.5000 0.1346 ( 2340 PWs) bands (ev): -51.9089 -51.9089 -37.4375 -37.4375 -24.5513 -24.5513 -21.4533 -21.4533 -21.3292 -21.3292 -14.1890 -14.1890 -13.5962 -13.5962 -13.4698 -13.4698 14.8046 14.8046 15.2653 15.2653 16.3877 16.3877 16.4586 16.4586 20.1061 20.1061 20.1094 20.1094 20.2740 20.2740 20.6169 20.6169 21.6560 21.6560 22.5018 22.5018 k = 0.5000 0.5000 0.1442 ( 2340 PWs) bands (ev): -51.9086 -51.9086 -37.4370 -37.4370 -24.5518 -24.5518 -21.4523 -21.4523 -21.3317 -21.3317 -14.1909 -14.1909 -13.5967 -13.5967 -13.4741 -13.4741 14.8386 14.8386 15.3247 15.3247 16.3778 16.3778 16.4481 16.4481 20.0272 20.0272 20.1038 20.1038 20.1934 20.1934 20.6185 20.6185 21.6757 21.6757 22.5035 22.5035 k = 0.5000 0.5000 0.1538 ( 2356 PWs) bands (ev): -51.9083 -51.9083 -37.4364 -37.4364 -24.5525 -24.5525 -21.4513 -21.4513 -21.3345 -21.3345 -14.1929 -14.1929 -13.5973 -13.5973 -13.4786 -13.4786 14.8743 14.8743 15.3877 15.3877 16.3675 16.3675 16.4371 16.4371 19.9448 19.9448 20.0800 20.0800 20.1347 20.1347 20.6200 20.6200 21.6966 21.6966 22.5054 22.5054 k = 0.5000 0.5000 0.1635 ( 2356 PWs) bands (ev): -51.9080 -51.9080 -37.4359 -37.4359 -24.5532 -24.5532 -21.4502 -21.4502 -21.3372 -21.3372 -14.1949 -14.1949 -13.5979 -13.5979 -13.4833 -13.4833 14.9117 14.9117 15.4542 15.4542 16.3570 16.3570 16.4258 16.4258 19.8628 19.8628 20.0094 20.0094 20.1234 20.1234 20.6213 20.6213 21.7186 21.7186 22.5073 22.5073 k = 0.5000 0.5000 0.1731 ( 2356 PWs) bands (ev): -51.9077 -51.9077 -37.4353 -37.4353 -24.5538 -24.5538 -21.4490 -21.4490 -21.3401 -21.3401 -14.1971 -14.1971 -13.5986 -13.5986 -13.4882 -13.4882 14.9507 14.9507 15.5239 15.5239 16.3463 16.3463 16.4142 16.4142 19.7812 19.7812 19.9287 19.9287 20.1229 20.1229 20.6223 20.6223 21.7418 21.7418 22.5093 22.5093 k = 0.5000 0.5000 0.1827 ( 2356 PWs) bands (ev): -51.9074 -51.9074 -37.4347 -37.4347 -24.5545 -24.5545 -21.4479 -21.4479 -21.3430 -21.3430 -14.1994 -14.1994 -13.5992 -13.5992 -13.4932 -13.4932 14.9910 14.9910 15.5968 15.5968 16.3355 16.3355 16.4023 16.4023 19.7005 19.7005 19.8472 19.8472 20.1242 20.1242 20.6229 20.6229 21.7660 21.7660 22.5114 22.5114 k = 0.5000 0.5000 0.1923 ( 2348 PWs) bands (ev): -51.9071 -51.9071 -37.4340 -37.4340 -24.5552 -24.5552 -21.4466 -21.4466 -21.3460 -21.3460 -14.2017 -14.2017 -13.5999 -13.5999 -13.4983 -13.4983 15.0327 15.0327 15.6726 15.6726 16.3248 16.3248 16.3902 16.3902 19.6207 19.6207 19.7664 19.7664 20.1262 20.1262 20.6231 20.6231 21.7913 21.7913 22.5135 22.5135 k = 0.5000 0.5000 0.2019 ( 2348 PWs) bands (ev): -51.9067 -51.9067 -37.4334 -37.4334 -24.5559 -24.5559 -21.4454 -21.4454 -21.3491 -21.3491 -14.2041 -14.2041 -13.6006 -13.6006 -13.5035 -13.5035 15.0755 15.0755 15.7511 15.7511 16.3143 16.3143 16.3780 16.3780 19.5420 19.5420 19.6866 19.6866 20.1284 20.1284 20.6228 20.6228 21.8176 21.8176 22.5157 22.5157 k = 0.5000 0.5000 0.2115 ( 2348 PWs) bands (ev): -51.9064 -51.9064 -37.4328 -37.4328 -24.5567 -24.5567 -21.4441 -21.4441 -21.3522 -21.3522 -14.2065 -14.2065 -13.6013 -13.6013 -13.5088 -13.5088 15.1193 15.1193 15.8319 15.8319 16.3044 16.3044 16.3657 16.3657 19.4647 19.4647 19.6081 19.6081 20.1307 20.1307 20.6219 20.6219 21.8448 21.8448 22.5179 22.5179 k = 0.5000 0.5000 0.2212 ( 2344 PWs) bands (ev): -51.9060 -51.9060 -37.4321 -37.4321 -24.5574 -24.5574 -21.4428 -21.4428 -21.3553 -21.3553 -14.2091 -14.2091 -13.6020 -13.6020 -13.5141 -13.5141 15.1640 15.1640 15.9145 15.9145 16.2954 16.2954 16.3534 16.3534 19.3888 19.3888 19.5311 19.5311 20.1332 20.1332 20.6203 20.6203 21.8729 21.8729 22.5202 22.5202 k = 0.5000 0.5000 0.2308 ( 2344 PWs) bands (ev): -51.9057 -51.9057 -37.4314 -37.4314 -24.5582 -24.5582 -21.4416 -21.4416 -21.3585 -21.3585 -14.2116 -14.2116 -13.6027 -13.6027 -13.5195 -13.5195 15.2093 15.2093 15.9975 15.9975 16.2885 16.2885 16.3411 16.3411 19.3145 19.3145 19.4558 19.4558 20.1358 20.1358 20.6179 20.6179 21.9018 21.9018 22.5224 22.5224 k = 0.5000 0.5000 0.2404 ( 2344 PWs) bands (ev): -51.9053 -51.9053 -37.4308 -37.4308 -24.5590 -24.5590 -21.4402 -21.4402 -21.3617 -21.3617 -14.2142 -14.2142 -13.6034 -13.6034 -13.5249 -13.5249 15.2552 15.2552 16.0778 16.0778 16.2868 16.2868 16.3289 16.3289 19.2419 19.2419 19.3822 19.3822 20.1384 20.1384 20.6147 20.6147 21.9314 21.9314 22.5247 22.5247 k = 0.5000 0.5000 0.2500 ( 2356 PWs) bands (ev): -51.9050 -51.9050 -37.4301 -37.4301 -24.5598 -24.5598 -21.4390 -21.4390 -21.3650 -21.3650 -14.2168 -14.2168 -13.6041 -13.6041 -13.5303 -13.5303 15.3015 15.3015 16.1464 16.1464 16.2991 16.2991 16.3168 16.3168 19.1711 19.1711 19.3105 19.3105 20.1411 20.1411 20.6104 20.6104 21.9616 21.9616 22.5270 22.5270 k = 0.5000 0.5000 0.2596 ( 2352 PWs) bands (ev): -51.9046 -51.9046 -37.4294 -37.4294 -24.5606 -24.5606 -21.4377 -21.4377 -21.3682 -21.3682 -14.2194 -14.2194 -13.6049 -13.6049 -13.5357 -13.5357 15.3480 15.3480 16.1853 16.1853 16.3048 16.3048 16.3433 16.3433 19.1022 19.1022 19.2407 19.2407 20.1437 20.1437 20.6052 20.6052 21.9924 21.9924 22.5293 22.5293 k = 0.5000 0.5000 0.2692 ( 2352 PWs) bands (ev): -51.9043 -51.9043 -37.4288 -37.4288 -24.5614 -24.5614 -21.4363 -21.4363 -21.3714 -21.3714 -14.2221 -14.2221 -13.6056 -13.6056 -13.5410 -13.5410 15.3945 15.3945 16.1953 16.1953 16.2931 16.2931 16.4183 16.4183 19.0353 19.0353 19.1730 19.1730 20.1464 20.1464 20.5988 20.5988 22.0237 22.0237 22.5316 22.5316 k = 0.5000 0.5000 0.2788 ( 2352 PWs) bands (ev): -51.9039 -51.9039 -37.4281 -37.4281 -24.5622 -24.5622 -21.4350 -21.4350 -21.3745 -21.3745 -14.2247 -14.2247 -13.6063 -13.6063 -13.5463 -13.5463 15.4409 15.4409 16.1934 16.1934 16.2817 16.2817 16.5071 16.5071 18.9705 18.9705 19.1074 19.1074 20.1491 20.1491 20.5912 20.5912 22.0553 22.0553 22.5339 22.5339 k = 0.5000 0.5000 0.2885 ( 2360 PWs) bands (ev): -51.9036 -51.9036 -37.4274 -37.4274 -24.5630 -24.5630 -21.4338 -21.4338 -21.3777 -21.3777 -14.2274 -14.2274 -13.6070 -13.6070 -13.5515 -13.5515 15.4870 15.4870 16.1873 16.1873 16.2705 16.2705 16.6017 16.6017 18.9078 18.9078 19.0441 19.0441 20.1517 20.1517 20.5823 20.5823 22.0872 22.0872 22.5362 22.5362 k = 0.5000 0.5000 0.2981 ( 2360 PWs) bands (ev): -51.9032 -51.9032 -37.4268 -37.4268 -24.5638 -24.5638 -21.4325 -21.4325 -21.3808 -21.3808 -14.2300 -14.2300 -13.6077 -13.6077 -13.5565 -13.5565 15.5326 15.5326 16.1796 16.1796 16.2597 16.2597 16.6991 16.6991 18.8474 18.8474 18.9830 18.9830 20.1543 20.1543 20.5720 20.5720 22.1193 22.1193 22.5384 22.5384 k = 0.5000 0.5000 0.3077 ( 2360 PWs) bands (ev): -51.9029 -51.9029 -37.4261 -37.4261 -24.5645 -24.5645 -21.4313 -21.4313 -21.3838 -21.3838 -14.2325 -14.2325 -13.6084 -13.6084 -13.5615 -13.5615 15.5775 15.5775 16.1713 16.1713 16.2493 16.2493 16.7983 16.7983 18.7894 18.7894 18.9242 18.9242 20.1569 20.1569 20.5603 20.5603 22.1513 22.1513 22.5406 22.5406 k = 0.5000 0.5000 0.3173 ( 2368 PWs) bands (ev): -51.9025 -51.9025 -37.4255 -37.4255 -24.5653 -24.5653 -21.4301 -21.4301 -21.3867 -21.3867 -14.2351 -14.2351 -13.6091 -13.6091 -13.5664 -13.5664 15.6215 15.6215 16.1629 16.1629 16.2393 16.2393 16.8984 16.8984 18.7337 18.7337 18.8678 18.8678 20.1594 20.1594 20.5471 20.5471 22.1833 22.1833 22.5427 22.5427 k = 0.5000 0.5000 0.3269 ( 2360 PWs) bands (ev): -51.9022 -51.9022 -37.4249 -37.4249 -24.5660 -24.5660 -21.4289 -21.4289 -21.3895 -21.3895 -14.2375 -14.2375 -13.6097 -13.6097 -13.5710 -13.5710 15.6646 15.6646 16.1545 16.1545 16.2297 16.2297 16.9989 16.9989 18.6805 18.6805 18.8140 18.8140 20.1619 20.1619 20.5323 20.5323 22.2150 22.2150 22.5448 22.5448 k = 0.5000 0.5000 0.3365 ( 2360 PWs) bands (ev): -51.9019 -51.9019 -37.4243 -37.4243 -24.5667 -24.5667 -21.4277 -21.4277 -21.3922 -21.3922 -14.2400 -14.2400 -13.6104 -13.6104 -13.5756 -13.5756 15.7064 15.7064 16.1463 16.1463 16.2207 16.2207 17.0994 17.0994 18.6299 18.6299 18.7626 18.7626 20.1643 20.1643 20.5160 20.5160 22.2463 22.2463 22.5468 22.5468 k = 0.5000 0.5000 0.3462 ( 2360 PWs) bands (ev): -51.9016 -51.9016 -37.4238 -37.4238 -24.5674 -24.5674 -21.4266 -21.4266 -21.3949 -21.3949 -14.2423 -14.2423 -13.6110 -13.6110 -13.5799 -13.5799 15.7468 15.7468 16.1384 16.1384 16.2122 16.2122 17.1993 17.1993 18.5819 18.5819 18.7139 18.7139 20.1666 20.1666 20.4981 20.4981 22.2770 22.2770 22.5488 22.5488 k = 0.5000 0.5000 0.3558 ( 2360 PWs) bands (ev): -51.9013 -51.9013 -37.4232 -37.4232 -24.5681 -24.5681 -21.4256 -21.4256 -21.3974 -21.3974 -14.2446 -14.2446 -13.6116 -13.6116 -13.5841 -13.5841 15.7856 15.7856 16.1309 16.1309 16.2042 16.2042 17.2981 17.2981 18.5367 18.5367 18.6678 18.6678 20.1688 20.1688 20.4787 20.4787 22.3071 22.3071 22.5506 22.5506 k = 0.5000 0.5000 0.3654 ( 2344 PWs) bands (ev): -51.9011 -51.9011 -37.4227 -37.4227 -24.5686 -24.5686 -21.4245 -21.4245 -21.3998 -21.3998 -14.2467 -14.2467 -13.6121 -13.6121 -13.5880 -13.5880 15.8227 15.8227 16.1237 16.1237 16.1968 16.1968 17.3955 17.3955 18.4943 18.4943 18.6244 18.6244 20.1709 20.1709 20.4579 20.4579 22.3362 22.3362 22.5524 22.5524 k = 0.5000 0.5000 0.3750 ( 2344 PWs) bands (ev): -51.9008 -51.9008 -37.4222 -37.4222 -24.5692 -24.5692 -21.4235 -21.4235 -21.4021 -21.4021 -14.2488 -14.2488 -13.6126 -13.6126 -13.5917 -13.5917 15.8578 15.8578 16.1171 16.1171 16.1901 16.1901 17.4907 17.4907 18.4548 18.4548 18.5837 18.5837 20.1729 20.1729 20.4357 20.4357 22.3644 22.3644 22.5541 22.5541 k = 0.5000 0.5000 0.3846 ( 2352 PWs) bands (ev): -51.9005 -51.9005 -37.4217 -37.4217 -24.5699 -24.5699 -21.4226 -21.4226 -21.4043 -21.4043 -14.2507 -14.2507 -13.6131 -13.6131 -13.5952 -13.5952 15.8909 15.8909 16.1108 16.1108 16.1840 16.1840 17.5831 17.5831 18.4183 18.4183 18.5458 18.5458 20.1748 20.1748 20.4123 20.4123 22.3913 22.3913 22.5557 22.5557 k = 0.5000 0.5000 0.3942 ( 2352 PWs) bands (ev): -51.9003 -51.9003 -37.4213 -37.4213 -24.5704 -24.5704 -21.4218 -21.4218 -21.4063 -21.4063 -14.2526 -14.2526 -13.6136 -13.6136 -13.5985 -13.5985 15.9216 15.9216 16.1051 16.1051 16.1786 16.1786 17.6721 17.6721 18.3851 18.3851 18.5108 18.5108 20.1766 20.1766 20.3879 20.3879 22.4169 22.4169 22.5572 22.5572 k = 0.5000 0.5000 0.4038 ( 2348 PWs) bands (ev): -51.9001 -51.9001 -37.4209 -37.4209 -24.5709 -24.5709 -21.4210 -21.4210 -21.4081 -21.4081 -14.2543 -14.2543 -13.6140 -13.6140 -13.6015 -13.6015 15.9498 15.9498 16.0998 16.0998 16.1740 16.1740 17.7568 17.7568 18.3554 18.3554 18.4787 18.4787 20.1782 20.1782 20.3628 20.3628 22.4410 22.4410 22.5586 22.5586 k = 0.5000 0.5000 0.4135 ( 2348 PWs) bands (ev): -51.8999 -51.8999 -37.4205 -37.4205 -24.5713 -24.5713 -21.4203 -21.4203 -21.4098 -21.4098 -14.2558 -14.2558 -13.6144 -13.6144 -13.6042 -13.6042 15.9753 15.9753 16.0950 16.0950 16.1703 16.1703 17.8363 17.8363 18.3295 18.3295 18.4495 18.4495 20.1797 20.1797 20.3374 20.3374 22.4633 22.4633 22.5598 22.5598 k = 0.5000 0.5000 0.4231 ( 2348 PWs) bands (ev): -51.8997 -51.8997 -37.4202 -37.4202 -24.5717 -24.5717 -21.4196 -21.4196 -21.4113 -21.4113 -14.2572 -14.2572 -13.6148 -13.6148 -13.6067 -13.6067 15.9980 15.9980 16.0907 16.0907 16.1674 16.1674 17.9092 17.9092 18.3079 18.3079 18.4232 18.4232 20.1811 20.1811 20.3121 20.3121 22.4838 22.4838 22.5610 22.5610 k = 0.5000 0.5000 0.4327 ( 2340 PWs) bands (ev): -51.8996 -51.8996 -37.4199 -37.4199 -24.5721 -24.5721 -21.4190 -21.4190 -21.4126 -21.4126 -14.2585 -14.2585 -13.6151 -13.6151 -13.6089 -13.6089 16.0177 16.0177 16.0869 16.0869 16.1654 16.1654 17.9739 17.9739 18.2914 18.2914 18.4000 18.4000 20.1823 20.1823 20.2874 20.2874 22.5023 22.5023 22.5620 22.5620 k = 0.5000 0.5000 0.4423 ( 2340 PWs) bands (ev): -51.8994 -51.8994 -37.4197 -37.4197 -24.5724 -24.5724 -21.4185 -21.4185 -21.4138 -21.4138 -14.2596 -14.2596 -13.6154 -13.6154 -13.6108 -13.6108 16.0343 16.0343 16.0836 16.0836 16.1645 16.1645 18.0285 18.0285 18.2813 18.2813 18.3798 18.3798 20.1834 20.1834 20.2640 20.2640 22.5186 22.5186 22.5629 22.5629 k = 0.5000 0.5000 0.4519 ( 2332 PWs) bands (ev): -51.8993 -51.8993 -37.4194 -37.4194 -24.5726 -24.5726 -21.4180 -21.4180 -21.4148 -21.4148 -14.2606 -14.2606 -13.6156 -13.6156 -13.6124 -13.6124 16.0477 16.0477 16.0809 16.0809 16.1644 16.1644 18.0704 18.0704 18.2792 18.2792 18.3626 18.3626 20.1843 20.1843 20.2425 20.2425 22.5326 22.5326 22.5636 22.5636 k = 0.5000 0.5000 0.4615 ( 2320 PWs) bands (ev): -51.8992 -51.8992 -37.4192 -37.4192 -24.5728 -24.5728 -21.4177 -21.4177 -21.4155 -21.4155 -14.2614 -14.2614 -13.6158 -13.6158 -13.6138 -13.6138 16.0581 16.0581 16.0786 16.0786 16.1650 16.1650 18.0983 18.0983 18.2854 18.2854 18.3486 18.3486 20.1850 20.1850 20.2235 20.2235 22.5443 22.5443 22.5642 22.5642 k = 0.5000 0.5000 0.4712 ( 2320 PWs) bands (ev): -51.8992 -51.8992 -37.4191 -37.4191 -24.5730 -24.5730 -21.4174 -21.4174 -21.4162 -21.4162 -14.2620 -14.2620 -13.6160 -13.6160 -13.6148 -13.6148 16.0657 16.0657 16.0768 16.0768 16.1661 16.1661 18.1138 18.1138 18.2974 18.2974 18.3376 18.3376 20.1856 20.1856 20.2078 20.2078 22.5534 22.5534 22.5647 22.5647 k = 0.5000 0.5000 0.4808 ( 2320 PWs) bands (ev): -51.8991 -51.8991 -37.4190 -37.4190 -24.5731 -24.5731 -21.4172 -21.4172 -21.4167 -21.4167 -14.2624 -14.2624 -13.6161 -13.6161 -13.6156 -13.6156 16.0708 16.0708 16.0756 16.0756 16.1672 16.1672 18.1212 18.1212 18.3104 18.3104 18.3298 18.3298 20.1860 20.1860 20.1961 20.1961 22.5601 22.5601 22.5651 22.5651 k = 0.5000 0.5000 0.4904 ( 2320 PWs) bands (ev): -51.8991 -51.8991 -37.4189 -37.4189 -24.5732 -24.5732 -21.4171 -21.4171 -21.4169 -21.4169 -14.2627 -14.2627 -13.6162 -13.6162 -13.6160 -13.6160 16.0736 16.0736 16.0748 16.0748 16.1681 16.1681 18.1241 18.1241 18.3200 18.3200 18.3251 18.3251 20.1863 20.1863 20.1888 20.1888 22.5640 22.5640 22.5653 22.5653 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -51.8991 -51.8991 -37.4189 -37.4189 -24.5732 -24.5732 -21.4170 -21.4170 -21.4170 -21.4170 -14.2628 -14.2628 -13.6162 -13.6162 -13.6162 -13.6162 16.0746 16.0746 16.0746 16.0746 16.1684 16.1684 18.1248 18.1248 18.3235 18.3235 18.3235 18.3235 20.1864 20.1864 20.1864 20.1864 22.5654 22.5654 22.5654 22.5654 Writing output data file TiRu.save init_run : 0.24s CPU 0.36s WALL ( 1 calls) electrons : 80.62s CPU 82.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 80.62s CPU 82.50s 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) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 397 calls) cegterg : 75.91s CPU 77.41s WALL ( 506 calls) Called by sum_band: Called by *egterg: h_psi : 37.44s CPU 38.50s WALL ( 8726 calls) g_psi : 0.16s CPU 0.14s WALL ( 7823 calls) cdiaghg : 34.19s CPU 34.92s WALL ( 8220 calls) cegterg:over : 3.11s CPU 3.09s WALL ( 7823 calls) cegterg:upda : 2.08s CPU 2.07s WALL ( 7823 calls) cegterg:last : 1.03s CPU 1.04s WALL ( 1701 calls) cdiaghg:chol : 1.75s CPU 1.72s WALL ( 8220 calls) cdiaghg:inve : 0.85s CPU 0.97s WALL ( 8220 calls) cdiaghg:para : 2.17s CPU 2.07s WALL ( 16440 calls) Called by h_psi: h_psi:vloc : 33.15s CPU 33.99s WALL ( 8726 calls) h_psi:vnl : 4.20s CPU 4.45s WALL ( 8726 calls) add_vuspsi : 2.35s CPU 2.45s WALL ( 8726 calls) General routines calbec : 1.82s CPU 1.99s WALL ( 8726 calls) fft : 0.00s CPU 0.00s WALL ( 13 calls) fftw : 31.46s CPU 32.35s WALL ( 742192 calls) davcio : 0.06s CPU 0.09s WALL ( 794 calls) Parallel routines fft_scatter : 15.54s CPU 15.99s WALL ( 742205 calls) PWSCF : 1m30.67s CPU 1m49.56s WALL This run was terminated on: 21:13: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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