Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3:23 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: ./TiOs.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) = 5.8015 a.u. unit-cell volume = 195.2593 (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)= 5.801459 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 Os read from file: /users/gautes/Pseudo/Os.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 1bcb72221b6b17e70f20dab4cda9aff7 Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1275 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Os 16.00 190.23000 Os( 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) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TiOs.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 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.7 secs Computing kpt #: 9 total cpu time spent up to now is 2.9 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 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.4 secs Computing kpt #: 13 total cpu time spent up to now is 3.5 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.9 secs Computing kpt #: 16 total cpu time spent up to now is 4.1 secs Computing kpt #: 17 total cpu time spent up to now is 4.2 secs Computing kpt #: 18 total cpu time spent up to now is 4.4 secs Computing kpt #: 19 total cpu time spent up to now is 4.6 secs Computing kpt #: 20 total cpu time spent up to now is 4.7 secs Computing kpt #: 21 total cpu time spent up to now is 4.9 secs Computing kpt #: 22 total cpu time spent up to now is 5.1 secs Computing kpt #: 23 total cpu time spent up to now is 5.2 secs Computing kpt #: 24 total cpu time spent up to now is 5.4 secs Computing kpt #: 25 total cpu time spent up to now is 5.6 secs Computing kpt #: 26 total cpu time spent up to now is 5.7 secs Computing kpt #: 27 total cpu time spent up to now is 5.9 secs Computing kpt #: 28 total cpu time spent up to now is 6.1 secs Computing kpt #: 29 total cpu time spent up to now is 6.3 secs Computing kpt #: 30 total cpu time spent up to now is 6.5 secs Computing kpt #: 31 total cpu time spent up to now is 6.7 secs Computing kpt #: 32 total cpu time spent up to now is 6.9 secs Computing kpt #: 33 total cpu time spent up to now is 7.2 secs Computing kpt #: 34 total cpu time spent up to now is 7.4 secs Computing kpt #: 35 total cpu time spent up to now is 7.6 secs Computing kpt #: 36 total cpu time spent up to now is 7.8 secs Computing kpt #: 37 total cpu time spent up to now is 8.1 secs Computing kpt #: 38 total cpu time spent up to now is 8.4 secs Computing kpt #: 39 total cpu time spent up to now is 8.6 secs Computing kpt #: 40 total cpu time spent up to now is 8.8 secs Computing kpt #: 41 total cpu time spent up to now is 9.0 secs Computing kpt #: 42 total cpu time spent up to now is 9.2 secs Computing kpt #: 43 total cpu time spent up to now is 9.3 secs Computing kpt #: 44 total cpu time spent up to now is 9.5 secs Computing kpt #: 45 total cpu time spent up to now is 9.7 secs Computing kpt #: 46 total cpu time spent up to now is 9.9 secs Computing kpt #: 47 total cpu time spent up to now is 10.0 secs Computing kpt #: 48 total cpu time spent up to now is 10.2 secs Computing kpt #: 49 total cpu time spent up to now is 10.4 secs Computing kpt #: 50 total cpu time spent up to now is 10.6 secs Computing kpt #: 51 total cpu time spent up to now is 10.7 secs Computing kpt #: 52 total cpu time spent up to now is 10.9 secs Computing kpt #: 53 total cpu time spent up to now is 11.1 secs Computing kpt #: 54 total cpu time spent up to now is 11.3 secs Computing kpt #: 55 total cpu time spent up to now is 11.5 secs Computing kpt #: 56 total cpu time spent up to now is 11.7 secs Computing kpt #: 57 total cpu time spent up to now is 11.8 secs Computing kpt #: 58 total cpu time spent up to now is 12.0 secs Computing kpt #: 59 total cpu time spent up to now is 12.2 secs Computing kpt #: 60 total cpu time spent up to now is 12.4 secs Computing kpt #: 61 total cpu time spent up to now is 12.6 secs Computing kpt #: 62 total cpu time spent up to now is 12.9 secs Computing kpt #: 63 total cpu time spent up to now is 13.1 secs Computing kpt #: 64 total cpu time spent up to now is 13.4 secs Computing kpt #: 65 total cpu time spent up to now is 13.6 secs Computing kpt #: 66 total cpu time spent up to now is 13.8 secs Computing kpt #: 67 total cpu time spent up to now is 14.1 secs Computing kpt #: 68 total cpu time spent up to now is 14.3 secs Computing kpt #: 69 total cpu time spent up to now is 14.5 secs Computing kpt #: 70 total cpu time spent up to now is 14.7 secs Computing kpt #: 71 total cpu time spent up to now is 14.8 secs Computing kpt #: 72 total cpu time spent up to now is 15.0 secs Computing kpt #: 73 total cpu time spent up to now is 15.2 secs Computing kpt #: 74 total cpu time spent up to now is 15.4 secs Computing kpt #: 75 total cpu time spent up to now is 15.7 secs Computing kpt #: 76 total cpu time spent up to now is 15.9 secs Computing kpt #: 77 total cpu time spent up to now is 16.1 secs Computing kpt #: 78 total cpu time spent up to now is 16.3 secs Computing kpt #: 79 total cpu time spent up to now is 16.5 secs Computing kpt #: 80 total cpu time spent up to now is 16.7 secs Computing kpt #: 81 total cpu time spent up to now is 16.9 secs Computing kpt #: 82 total cpu time spent up to now is 17.1 secs Computing kpt #: 83 total cpu time spent up to now is 17.3 secs Computing kpt #: 84 total cpu time spent up to now is 17.5 secs Computing kpt #: 85 total cpu time spent up to now is 17.8 secs Computing kpt #: 86 total cpu time spent up to now is 18.0 secs Computing kpt #: 87 total cpu time spent up to now is 18.2 secs Computing kpt #: 88 total cpu time spent up to now is 18.4 secs Computing kpt #: 89 total cpu time spent up to now is 18.6 secs Computing kpt #: 90 total cpu time spent up to now is 18.8 secs Computing kpt #: 91 total cpu time spent up to now is 19.0 secs Computing kpt #: 92 total cpu time spent up to now is 19.2 secs Computing kpt #: 93 total cpu time spent up to now is 19.4 secs Computing kpt #: 94 total cpu time spent up to now is 19.6 secs Computing kpt #: 95 total cpu time spent up to now is 19.9 secs Computing kpt #: 96 total cpu time spent up to now is 20.1 secs Computing kpt #: 97 total cpu time spent up to now is 20.3 secs Computing kpt #: 98 total cpu time spent up to now is 20.5 secs Computing kpt #: 99 total cpu time spent up to now is 20.7 secs Computing kpt #: 100 total cpu time spent up to now is 20.9 secs Computing kpt #: 101 total cpu time spent up to now is 21.1 secs Computing kpt #: 102 total cpu time spent up to now is 21.3 secs Computing kpt #: 103 total cpu time spent up to now is 21.6 secs Computing kpt #: 104 total cpu time spent up to now is 21.8 secs Computing kpt #: 105 total cpu time spent up to now is 22.0 secs Computing kpt #: 106 total cpu time spent up to now is 22.2 secs Computing kpt #: 107 total cpu time spent up to now is 22.4 secs Computing kpt #: 108 total cpu time spent up to now is 22.6 secs Computing kpt #: 109 total cpu time spent up to now is 22.9 secs Computing kpt #: 110 total cpu time spent up to now is 23.1 secs Computing kpt #: 111 total cpu time spent up to now is 23.3 secs Computing kpt #: 112 total cpu time spent up to now is 23.5 secs Computing kpt #: 113 total cpu time spent up to now is 23.7 secs Computing kpt #: 114 total cpu time spent up to now is 23.9 secs Computing kpt #: 115 total cpu time spent up to now is 24.1 secs Computing kpt #: 116 total cpu time spent up to now is 24.4 secs Computing kpt #: 117 total cpu time spent up to now is 24.6 secs Computing kpt #: 118 total cpu time spent up to now is 24.8 secs Computing kpt #: 119 total cpu time spent up to now is 25.0 secs Computing kpt #: 120 total cpu time spent up to now is 25.2 secs Computing kpt #: 121 total cpu time spent up to now is 25.4 secs Computing kpt #: 122 total cpu time spent up to now is 25.6 secs Computing kpt #: 123 total cpu time spent up to now is 25.9 secs Computing kpt #: 124 total cpu time spent up to now is 26.1 secs Computing kpt #: 125 total cpu time spent up to now is 26.3 secs Computing kpt #: 126 total cpu time spent up to now is 26.5 secs Computing kpt #: 127 total cpu time spent up to now is 26.7 secs Computing kpt #: 128 total cpu time spent up to now is 26.9 secs Computing kpt #: 129 total cpu time spent up to now is 27.1 secs Computing kpt #: 130 total cpu time spent up to now is 27.3 secs Computing kpt #: 131 total cpu time spent up to now is 27.6 secs Computing kpt #: 132 total cpu time spent up to now is 27.8 secs Computing kpt #: 133 total cpu time spent up to now is 28.0 secs Computing kpt #: 134 total cpu time spent up to now is 28.2 secs Computing kpt #: 135 total cpu time spent up to now is 28.4 secs Computing kpt #: 136 total cpu time spent up to now is 28.6 secs Computing kpt #: 137 total cpu time spent up to now is 28.8 secs Computing kpt #: 138 total cpu time spent up to now is 28.9 secs Computing kpt #: 139 total cpu time spent up to now is 29.1 secs Computing kpt #: 140 total cpu time spent up to now is 29.3 secs Computing kpt #: 141 total cpu time spent up to now is 29.5 secs Computing kpt #: 142 total cpu time spent up to now is 29.7 secs Computing kpt #: 143 total cpu time spent up to now is 29.8 secs Computing kpt #: 144 total cpu time spent up to now is 30.0 secs Computing kpt #: 145 total cpu time spent up to now is 30.2 secs Computing kpt #: 146 total cpu time spent up to now is 30.3 secs Computing kpt #: 147 total cpu time spent up to now is 30.5 secs Computing kpt #: 148 total cpu time spent up to now is 30.7 secs Computing kpt #: 149 total cpu time spent up to now is 30.8 secs Computing kpt #: 150 total cpu time spent up to now is 31.0 secs Computing kpt #: 151 total cpu time spent up to now is 31.2 secs Computing kpt #: 152 total cpu time spent up to now is 31.3 secs Computing kpt #: 153 total cpu time spent up to now is 31.5 secs Computing kpt #: 154 total cpu time spent up to now is 31.6 secs Computing kpt #: 155 total cpu time spent up to now is 31.8 secs Computing kpt #: 156 total cpu time spent up to now is 32.0 secs Computing kpt #: 157 total cpu time spent up to now is 32.1 secs Computing kpt #: 158 total cpu time spent up to now is 32.3 secs Computing kpt #: 159 total cpu time spent up to now is 32.5 secs Computing kpt #: 160 total cpu time spent up to now is 32.6 secs Computing kpt #: 161 total cpu time spent up to now is 32.8 secs Computing kpt #: 162 total cpu time spent up to now is 33.0 secs Computing kpt #: 163 total cpu time spent up to now is 33.1 secs Computing kpt #: 164 total cpu time spent up to now is 33.3 secs Computing kpt #: 165 total cpu time spent up to now is 33.4 secs Computing kpt #: 166 total cpu time spent up to now is 33.6 secs Computing kpt #: 167 total cpu time spent up to now is 33.8 secs Computing kpt #: 168 total cpu time spent up to now is 33.9 secs Computing kpt #: 169 total cpu time spent up to now is 34.1 secs Computing kpt #: 170 total cpu time spent up to now is 34.3 secs Computing kpt #: 171 total cpu time spent up to now is 34.4 secs Computing kpt #: 172 total cpu time spent up to now is 34.6 secs Computing kpt #: 173 total cpu time spent up to now is 34.8 secs Computing kpt #: 174 total cpu time spent up to now is 35.0 secs Computing kpt #: 175 total cpu time spent up to now is 35.1 secs Computing kpt #: 176 total cpu time spent up to now is 35.3 secs Computing kpt #: 177 total cpu time spent up to now is 35.5 secs Computing kpt #: 178 total cpu time spent up to now is 35.6 secs Computing kpt #: 179 total cpu time spent up to now is 35.8 secs Computing kpt #: 180 total cpu time spent up to now is 35.9 secs Computing kpt #: 181 total cpu time spent up to now is 36.1 secs Computing kpt #: 182 total cpu time spent up to now is 36.3 secs Computing kpt #: 183 total cpu time spent up to now is 36.4 secs Computing kpt #: 184 total cpu time spent up to now is 36.6 secs Computing kpt #: 185 total cpu time spent up to now is 36.8 secs Computing kpt #: 186 total cpu time spent up to now is 36.9 secs Computing kpt #: 187 total cpu time spent up to now is 37.1 secs Computing kpt #: 188 total cpu time spent up to now is 37.3 secs Computing kpt #: 189 total cpu time spent up to now is 37.4 secs Computing kpt #: 190 total cpu time spent up to now is 37.6 secs Computing kpt #: 191 total cpu time spent up to now is 37.8 secs Computing kpt #: 192 total cpu time spent up to now is 38.0 secs Computing kpt #: 193 total cpu time spent up to now is 38.1 secs Computing kpt #: 194 total cpu time spent up to now is 38.3 secs Computing kpt #: 195 total cpu time spent up to now is 39.0 secs Computing kpt #: 196 total cpu time spent up to now is 39.2 secs Computing kpt #: 197 total cpu time spent up to now is 39.4 secs Computing kpt #: 198 total cpu time spent up to now is 39.5 secs Computing kpt #: 199 total cpu time spent up to now is 39.7 secs Computing kpt #: 200 total cpu time spent up to now is 39.9 secs Computing kpt #: 201 total cpu time spent up to now is 40.1 secs Computing kpt #: 202 total cpu time spent up to now is 40.3 secs Computing kpt #: 203 total cpu time spent up to now is 40.5 secs Computing kpt #: 204 total cpu time spent up to now is 40.7 secs Computing kpt #: 205 total cpu time spent up to now is 40.9 secs Computing kpt #: 206 total cpu time spent up to now is 41.1 secs Computing kpt #: 207 total cpu time spent up to now is 41.4 secs Computing kpt #: 208 total cpu time spent up to now is 41.6 secs Computing kpt #: 209 total cpu time spent up to now is 41.8 secs Computing kpt #: 210 total cpu time spent up to now is 42.0 secs Computing kpt #: 211 total cpu time spent up to now is 42.3 secs Computing kpt #: 212 total cpu time spent up to now is 42.5 secs Computing kpt #: 213 total cpu time spent up to now is 42.7 secs Computing kpt #: 214 total cpu time spent up to now is 42.9 secs Computing kpt #: 215 total cpu time spent up to now is 43.2 secs Computing kpt #: 216 total cpu time spent up to now is 43.4 secs Computing kpt #: 217 total cpu time spent up to now is 43.6 secs Computing kpt #: 218 total cpu time spent up to now is 43.9 secs Computing kpt #: 219 total cpu time spent up to now is 44.1 secs Computing kpt #: 220 total cpu time spent up to now is 44.3 secs Computing kpt #: 221 total cpu time spent up to now is 44.6 secs Computing kpt #: 222 total cpu time spent up to now is 44.8 secs Computing kpt #: 223 total cpu time spent up to now is 45.0 secs Computing kpt #: 224 total cpu time spent up to now is 45.2 secs Computing kpt #: 225 total cpu time spent up to now is 45.5 secs Computing kpt #: 226 total cpu time spent up to now is 45.7 secs Computing kpt #: 227 total cpu time spent up to now is 45.9 secs Computing kpt #: 228 total cpu time spent up to now is 46.1 secs Computing kpt #: 229 total cpu time spent up to now is 46.3 secs Computing kpt #: 230 total cpu time spent up to now is 46.5 secs Computing kpt #: 231 total cpu time spent up to now is 46.7 secs Computing kpt #: 232 total cpu time spent up to now is 46.8 secs Computing kpt #: 233 total cpu time spent up to now is 47.0 secs Computing kpt #: 234 total cpu time spent up to now is 47.2 secs Computing kpt #: 235 total cpu time spent up to now is 47.4 secs Computing kpt #: 236 total cpu time spent up to now is 47.6 secs Computing kpt #: 237 total cpu time spent up to now is 47.8 secs Computing kpt #: 238 total cpu time spent up to now is 48.0 secs Computing kpt #: 239 total cpu time spent up to now is 48.2 secs Computing kpt #: 240 total cpu time spent up to now is 48.4 secs Computing kpt #: 241 total cpu time spent up to now is 48.6 secs Computing kpt #: 242 total cpu time spent up to now is 48.8 secs Computing kpt #: 243 total cpu time spent up to now is 49.0 secs Computing kpt #: 244 total cpu time spent up to now is 49.2 secs Computing kpt #: 245 total cpu time spent up to now is 49.4 secs Computing kpt #: 246 total cpu time spent up to now is 49.6 secs Computing kpt #: 247 total cpu time spent up to now is 49.7 secs Computing kpt #: 248 total cpu time spent up to now is 49.9 secs Computing kpt #: 249 total cpu time spent up to now is 50.1 secs Computing kpt #: 250 total cpu time spent up to now is 50.3 secs Computing kpt #: 251 total cpu time spent up to now is 50.4 secs Computing kpt #: 252 total cpu time spent up to now is 50.6 secs Computing kpt #: 253 total cpu time spent up to now is 50.8 secs Computing kpt #: 254 total cpu time spent up to now is 50.9 secs Computing kpt #: 255 total cpu time spent up to now is 51.1 secs Computing kpt #: 256 total cpu time spent up to now is 51.3 secs Computing kpt #: 257 total cpu time spent up to now is 51.5 secs Computing kpt #: 258 total cpu time spent up to now is 51.6 secs Computing kpt #: 259 total cpu time spent up to now is 51.8 secs Computing kpt #: 260 total cpu time spent up to now is 52.0 secs Computing kpt #: 261 total cpu time spent up to now is 52.2 secs Computing kpt #: 262 total cpu time spent up to now is 52.4 secs Computing kpt #: 263 total cpu time spent up to now is 52.5 secs Computing kpt #: 264 total cpu time spent up to now is 52.7 secs Computing kpt #: 265 total cpu time spent up to now is 52.9 secs Computing kpt #: 266 total cpu time spent up to now is 53.1 secs Computing kpt #: 267 total cpu time spent up to now is 53.3 secs Computing kpt #: 268 total cpu time spent up to now is 53.4 secs Computing kpt #: 269 total cpu time spent up to now is 53.6 secs Computing kpt #: 270 total cpu time spent up to now is 53.8 secs Computing kpt #: 271 total cpu time spent up to now is 53.9 secs Computing kpt #: 272 total cpu time spent up to now is 54.1 secs Computing kpt #: 273 total cpu time spent up to now is 54.3 secs Computing kpt #: 274 total cpu time spent up to now is 54.4 secs Computing kpt #: 275 total cpu time spent up to now is 54.6 secs Computing kpt #: 276 total cpu time spent up to now is 54.8 secs Computing kpt #: 277 total cpu time spent up to now is 55.0 secs Computing kpt #: 278 total cpu time spent up to now is 55.2 secs Computing kpt #: 279 total cpu time spent up to now is 55.3 secs Computing kpt #: 280 total cpu time spent up to now is 55.5 secs Computing kpt #: 281 total cpu time spent up to now is 55.7 secs Computing kpt #: 282 total cpu time spent up to now is 55.9 secs Computing kpt #: 283 total cpu time spent up to now is 56.0 secs Computing kpt #: 284 total cpu time spent up to now is 56.2 secs Computing kpt #: 285 total cpu time spent up to now is 56.4 secs Computing kpt #: 286 total cpu time spent up to now is 56.6 secs Computing kpt #: 287 total cpu time spent up to now is 56.7 secs Computing kpt #: 288 total cpu time spent up to now is 56.9 secs Computing kpt #: 289 total cpu time spent up to now is 57.1 secs Computing kpt #: 290 total cpu time spent up to now is 57.3 secs Computing kpt #: 291 total cpu time spent up to now is 57.4 secs Computing kpt #: 292 total cpu time spent up to now is 57.6 secs Computing kpt #: 293 total cpu time spent up to now is 57.8 secs Computing kpt #: 294 total cpu time spent up to now is 58.0 secs Computing kpt #: 295 total cpu time spent up to now is 58.2 secs Computing kpt #: 296 total cpu time spent up to now is 58.3 secs Computing kpt #: 297 total cpu time spent up to now is 58.5 secs Computing kpt #: 298 total cpu time spent up to now is 58.7 secs Computing kpt #: 299 total cpu time spent up to now is 58.9 secs Computing kpt #: 300 total cpu time spent up to now is 59.1 secs Computing kpt #: 301 total cpu time spent up to now is 59.3 secs Computing kpt #: 302 total cpu time spent up to now is 59.5 secs Computing kpt #: 303 total cpu time spent up to now is 59.7 secs Computing kpt #: 304 total cpu time spent up to now is 59.8 secs Computing kpt #: 305 total cpu time spent up to now is 60.0 secs Computing kpt #: 306 total cpu time spent up to now is 60.2 secs Computing kpt #: 307 total cpu time spent up to now is 60.4 secs Computing kpt #: 308 total cpu time spent up to now is 60.6 secs Computing kpt #: 309 total cpu time spent up to now is 60.8 secs Computing kpt #: 310 total cpu time spent up to now is 61.0 secs Computing kpt #: 311 total cpu time spent up to now is 61.2 secs Computing kpt #: 312 total cpu time spent up to now is 61.4 secs Computing kpt #: 313 total cpu time spent up to now is 61.6 secs Computing kpt #: 314 total cpu time spent up to now is 61.8 secs Computing kpt #: 315 total cpu time spent up to now is 62.0 secs Computing kpt #: 316 total cpu time spent up to now is 62.2 secs Computing kpt #: 317 total cpu time spent up to now is 62.4 secs Computing kpt #: 318 total cpu time spent up to now is 62.6 secs Computing kpt #: 319 total cpu time spent up to now is 62.8 secs Computing kpt #: 320 total cpu time spent up to now is 63.0 secs Computing kpt #: 321 total cpu time spent up to now is 63.2 secs Computing kpt #: 322 total cpu time spent up to now is 63.5 secs Computing kpt #: 323 total cpu time spent up to now is 63.7 secs Computing kpt #: 324 total cpu time spent up to now is 63.9 secs Computing kpt #: 325 total cpu time spent up to now is 64.2 secs Computing kpt #: 326 total cpu time spent up to now is 64.4 secs Computing kpt #: 327 total cpu time spent up to now is 64.7 secs Computing kpt #: 328 total cpu time spent up to now is 64.9 secs Computing kpt #: 329 total cpu time spent up to now is 65.2 secs Computing kpt #: 330 total cpu time spent up to now is 65.5 secs Computing kpt #: 331 total cpu time spent up to now is 65.7 secs Computing kpt #: 332 total cpu time spent up to now is 66.0 secs Computing kpt #: 333 total cpu time spent up to now is 66.3 secs Computing kpt #: 334 total cpu time spent up to now is 66.5 secs Computing kpt #: 335 total cpu time spent up to now is 66.8 secs Computing kpt #: 336 total cpu time spent up to now is 67.0 secs Computing kpt #: 337 total cpu time spent up to now is 67.2 secs Computing kpt #: 338 total cpu time spent up to now is 67.5 secs Computing kpt #: 339 total cpu time spent up to now is 67.7 secs Computing kpt #: 340 total cpu time spent up to now is 67.8 secs Computing kpt #: 341 total cpu time spent up to now is 68.0 secs Computing kpt #: 342 total cpu time spent up to now is 68.2 secs Computing kpt #: 343 total cpu time spent up to now is 68.4 secs Computing kpt #: 344 total cpu time spent up to now is 68.6 secs Computing kpt #: 345 total cpu time spent up to now is 68.8 secs Computing kpt #: 346 total cpu time spent up to now is 69.0 secs Computing kpt #: 347 total cpu time spent up to now is 69.2 secs Computing kpt #: 348 total cpu time spent up to now is 69.4 secs Computing kpt #: 349 total cpu time spent up to now is 69.6 secs Computing kpt #: 350 total cpu time spent up to now is 69.8 secs Computing kpt #: 351 total cpu time spent up to now is 70.0 secs Computing kpt #: 352 total cpu time spent up to now is 70.2 secs Computing kpt #: 353 total cpu time spent up to now is 70.4 secs Computing kpt #: 354 total cpu time spent up to now is 70.6 secs Computing kpt #: 355 total cpu time spent up to now is 70.8 secs Computing kpt #: 356 total cpu time spent up to now is 71.0 secs Computing kpt #: 357 total cpu time spent up to now is 71.2 secs Computing kpt #: 358 total cpu time spent up to now is 71.4 secs Computing kpt #: 359 total cpu time spent up to now is 71.5 secs Computing kpt #: 360 total cpu time spent up to now is 71.7 secs Computing kpt #: 361 total cpu time spent up to now is 71.9 secs Computing kpt #: 362 total cpu time spent up to now is 72.1 secs Computing kpt #: 363 total cpu time spent up to now is 72.3 secs Computing kpt #: 364 total cpu time spent up to now is 72.5 secs Computing kpt #: 365 total cpu time spent up to now is 72.7 secs Computing kpt #: 366 total cpu time spent up to now is 72.8 secs Computing kpt #: 367 total cpu time spent up to now is 73.0 secs Computing kpt #: 368 total cpu time spent up to now is 73.2 secs Computing kpt #: 369 total cpu time spent up to now is 73.4 secs Computing kpt #: 370 total cpu time spent up to now is 73.6 secs Computing kpt #: 371 total cpu time spent up to now is 73.8 secs Computing kpt #: 372 total cpu time spent up to now is 74.0 secs Computing kpt #: 373 total cpu time spent up to now is 74.2 secs Computing kpt #: 374 total cpu time spent up to now is 74.4 secs Computing kpt #: 375 total cpu time spent up to now is 74.6 secs Computing kpt #: 376 total cpu time spent up to now is 74.7 secs Computing kpt #: 377 total cpu time spent up to now is 74.9 secs Computing kpt #: 378 total cpu time spent up to now is 75.1 secs Computing kpt #: 379 total cpu time spent up to now is 75.3 secs Computing kpt #: 380 total cpu time spent up to now is 75.4 secs Computing kpt #: 381 total cpu time spent up to now is 75.6 secs Computing kpt #: 382 total cpu time spent up to now is 75.8 secs Computing kpt #: 383 total cpu time spent up to now is 76.0 secs Computing kpt #: 384 total cpu time spent up to now is 76.1 secs Computing kpt #: 385 total cpu time spent up to now is 76.3 secs Computing kpt #: 386 total cpu time spent up to now is 76.5 secs Computing kpt #: 387 total cpu time spent up to now is 76.7 secs Computing kpt #: 388 total cpu time spent up to now is 76.8 secs Computing kpt #: 389 total cpu time spent up to now is 77.0 secs Computing kpt #: 390 total cpu time spent up to now is 77.2 secs Computing kpt #: 391 total cpu time spent up to now is 77.4 secs Computing kpt #: 392 total cpu time spent up to now is 77.5 secs Computing kpt #: 393 total cpu time spent up to now is 77.7 secs Computing kpt #: 394 total cpu time spent up to now is 77.9 secs Computing kpt #: 395 total cpu time spent up to now is 78.0 secs Computing kpt #: 396 total cpu time spent up to now is 78.2 secs Computing kpt #: 397 total cpu time spent up to now is 78.4 secs ethr = 3.57E-08, avg # of iterations = 17.5 total cpu time spent up to now is 78.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -64.9812 -64.9812 -36.0744 -36.0744 -33.3490 -33.3490 -21.1468 -21.1468 -21.1468 -21.1468 -12.6827 -12.6827 -12.0053 -12.0053 -12.0053 -12.0053 12.2570 12.2570 15.4519 15.4519 15.4519 15.4519 19.3295 19.3295 19.3295 19.3295 19.8125 19.8125 22.7522 22.7522 22.7522 22.7522 24.5203 24.5203 24.5203 24.5203 k = 0.0000 0.0096-0.0000 ( 2373 PWs) bands (ev): -64.9812 -64.9812 -36.0744 -36.0744 -33.3490 -33.3490 -21.1470 -21.1470 -21.1468 -21.1468 -12.6828 -12.6828 -12.0055 -12.0055 -12.0053 -12.0053 12.2591 12.2591 15.4529 15.4529 15.4534 15.4534 19.3291 19.3291 19.3298 19.3298 19.8125 19.8125 22.7501 22.7501 22.7529 22.7529 24.5148 24.5148 24.5179 24.5179 k = 0.0000 0.0192-0.0000 ( 2365 PWs) bands (ev): -64.9812 -64.9812 -36.0743 -36.0743 -33.3490 -33.3490 -21.1472 -21.1472 -21.1467 -21.1467 -12.6830 -12.6830 -12.0060 -12.0060 -12.0053 -12.0053 12.2653 12.2653 15.4557 15.4557 15.4581 15.4581 19.3278 19.3278 19.3309 19.3309 19.8126 19.8126 22.7437 22.7437 22.7550 22.7550 24.4985 24.4985 24.5108 24.5108 k = 0.0000 0.0288-0.0000 ( 2357 PWs) bands (ev): -64.9811 -64.9811 -36.0743 -36.0743 -33.3490 -33.3490 -21.1477 -21.1477 -21.1466 -21.1466 -12.6833 -12.6833 -12.0069 -12.0069 -12.0054 -12.0054 12.2755 12.2755 15.4606 15.4606 15.4659 15.4659 19.3258 19.3258 19.3326 19.3326 19.8127 19.8127 22.7332 22.7332 22.7585 22.7585 24.4717 24.4717 24.4986 24.4986 k = 0.0000 0.0385-0.0000 ( 2357 PWs) bands (ev): -64.9811 -64.9811 -36.0742 -36.0742 -33.3491 -33.3491 -21.1485 -21.1485 -21.1464 -21.1464 -12.6838 -12.6838 -12.0081 -12.0081 -12.0055 -12.0055 12.2899 12.2899 15.4673 15.4673 15.4768 15.4768 19.3230 19.3230 19.3350 19.3350 19.8130 19.8130 22.7185 22.7185 22.7634 22.7634 24.4350 24.4350 24.4808 24.4808 k = 0.0000 0.0481-0.0000 ( 2357 PWs) bands (ev): -64.9810 -64.9810 -36.0741 -36.0741 -33.3492 -33.3492 -21.1494 -21.1494 -21.1462 -21.1462 -12.6844 -12.6844 -12.0097 -12.0097 -12.0056 -12.0056 12.3084 12.3084 15.4759 15.4759 15.4907 15.4907 19.3194 19.3194 19.3379 19.3379 19.8135 19.8135 22.6997 22.6997 22.7697 22.7697 24.3892 24.3892 24.4570 24.4570 k = 0.0000 0.0577-0.0000 ( 2369 PWs) bands (ev): -64.9810 -64.9810 -36.0740 -36.0740 -33.3494 -33.3494 -21.1507 -21.1507 -21.1459 -21.1459 -12.6852 -12.6852 -12.0116 -12.0116 -12.0057 -12.0057 12.3308 12.3308 15.4865 15.4865 15.5076 15.5076 19.3151 19.3151 19.3414 19.3414 19.8142 19.8142 22.6768 22.6768 22.7773 22.7773 24.3350 24.3350 24.4262 24.4262 k = 0.0000 0.0673-0.0000 ( 2369 PWs) bands (ev): -64.9809 -64.9809 -36.0738 -36.0738 -33.3496 -33.3496 -21.1520 -21.1520 -21.1455 -21.1455 -12.6861 -12.6861 -12.0138 -12.0138 -12.0058 -12.0058 12.3573 12.3573 15.4989 15.4989 15.5276 15.5276 19.3101 19.3101 19.3454 19.3454 19.8153 19.8153 22.6499 22.6499 22.7861 22.7861 24.2734 24.2734 24.3877 24.3877 k = 0.0000 0.0769-0.0000 ( 2369 PWs) bands (ev): -64.9808 -64.9808 -36.0737 -36.0737 -33.3497 -33.3497 -21.1535 -21.1535 -21.1452 -21.1452 -12.6872 -12.6872 -12.0163 -12.0163 -12.0060 -12.0060 12.3878 12.3878 15.5133 15.5133 15.5505 15.5505 19.3043 19.3043 19.3496 19.3496 19.8169 19.8169 22.6191 22.6191 22.7962 22.7962 24.2054 24.2054 24.3412 24.3412 k = 0.0000 0.0865-0.0000 ( 2365 PWs) bands (ev): -64.9808 -64.9808 -36.0735 -36.0735 -33.3499 -33.3499 -21.1553 -21.1553 -21.1447 -21.1447 -12.6884 -12.6884 -12.0191 -12.0191 -12.0061 -12.0061 12.4221 12.4221 15.5295 15.5295 15.5762 15.5762 19.2979 19.2979 19.3542 19.3542 19.8190 19.8190 22.5844 22.5844 22.8073 22.8073 24.1318 24.1318 24.2866 24.2866 k = 0.0000 0.0962-0.0000 ( 2365 PWs) bands (ev): -64.9807 -64.9807 -36.0733 -36.0733 -33.3501 -33.3501 -21.1572 -21.1572 -21.1443 -21.1443 -12.6897 -12.6897 -12.0222 -12.0222 -12.0063 -12.0063 12.4603 12.4603 15.5476 15.5476 15.6048 15.6048 19.2908 19.2908 19.3588 19.3588 19.8220 19.8220 22.5460 22.5460 22.8195 22.8195 24.0535 24.0535 24.2245 24.2245 k = 0.0000 0.1058-0.0000 ( 2373 PWs) bands (ev): -64.9806 -64.9806 -36.0730 -36.0730 -33.3504 -33.3504 -21.1593 -21.1593 -21.1438 -21.1438 -12.6911 -12.6911 -12.0256 -12.0256 -12.0065 -12.0065 12.5023 12.5023 15.5675 15.5675 15.6361 15.6361 19.2832 19.2832 19.3635 19.3635 19.8258 19.8258 22.5040 22.5040 22.8327 22.8327 23.9716 23.9716 24.1558 24.1558 k = 0.0000 0.1154-0.0000 ( 2373 PWs) bands (ev): -64.9804 -64.9804 -36.0728 -36.0728 -33.3507 -33.3507 -21.1615 -21.1615 -21.1432 -21.1432 -12.6927 -12.6927 -12.0292 -12.0292 -12.0068 -12.0068 12.5480 12.5480 15.5892 15.5892 15.6701 15.6701 19.2750 19.2750 19.3680 19.3680 19.8307 19.8307 22.4585 22.4585 22.8465 22.8465 23.8867 23.8867 24.0815 24.0815 k = 0.0000 0.1250-0.0000 ( 2373 PWs) bands (ev): -64.9803 -64.9803 -36.0725 -36.0725 -33.3510 -33.3510 -21.1639 -21.1639 -21.1426 -21.1426 -12.6945 -12.6945 -12.0331 -12.0331 -12.0070 -12.0070 12.5973 12.5973 15.6127 15.6127 15.7066 15.7066 19.2663 19.2663 19.3723 19.3723 19.8368 19.8368 22.4096 22.4096 22.8610 22.8610 23.7998 23.7998 24.0025 24.0025 k = 0.0000 0.1346-0.0000 ( 2373 PWs) bands (ev): -64.9802 -64.9802 -36.0722 -36.0722 -33.3513 -33.3513 -21.1665 -21.1665 -21.1420 -21.1420 -12.6963 -12.6963 -12.0372 -12.0372 -12.0073 -12.0073 12.6502 12.6502 15.6380 15.6380 15.7456 15.7456 19.2572 19.2572 19.3762 19.3762 19.8443 19.8443 22.3575 22.3575 22.8757 22.8757 23.7116 23.7116 23.9198 23.9198 k = 0.0000 0.1442-0.0000 ( 2369 PWs) bands (ev): -64.9800 -64.9800 -36.0719 -36.0719 -33.3516 -33.3516 -21.1692 -21.1692 -21.1413 -21.1413 -12.6983 -12.6983 -12.0414 -12.0414 -12.0076 -12.0076 12.7066 12.7066 15.6651 15.6651 15.7869 15.7869 19.2476 19.2476 19.3796 19.3796 19.8534 19.8534 22.3023 22.3023 22.8902 22.8902 23.6230 23.6230 23.8342 23.8342 k = 0.0000 0.1538-0.0000 ( 2377 PWs) bands (ev): -64.9799 -64.9799 -36.0716 -36.0716 -33.3519 -33.3519 -21.1720 -21.1720 -21.1406 -21.1406 -12.7004 -12.7004 -12.0459 -12.0459 -12.0078 -12.0078 12.7663 12.7663 15.6938 15.6938 15.8305 15.8305 19.2377 19.2377 19.3823 19.3823 19.8641 19.8641 22.2441 22.2441 22.9040 22.9040 23.5351 23.5351 23.7464 23.7464 k = 0.0000 0.1635-0.0000 ( 2369 PWs) bands (ev): -64.9798 -64.9798 -36.0713 -36.0713 -33.3522 -33.3522 -21.1749 -21.1749 -21.1399 -21.1399 -12.7026 -12.7026 -12.0505 -12.0505 -12.0081 -12.0081 12.8292 12.8292 15.7243 15.7243 15.8763 15.8763 19.2275 19.2275 19.3844 19.3844 19.8765 19.8765 22.1832 22.1832 22.9160 22.9160 23.4493 23.4493 23.6570 23.6570 k = 0.0000 0.1731-0.0000 ( 2369 PWs) bands (ev): -64.9796 -64.9796 -36.0709 -36.0709 -33.3526 -33.3526 -21.1780 -21.1780 -21.1391 -21.1391 -12.7049 -12.7049 -12.0552 -12.0552 -12.0085 -12.0085 12.8953 12.8953 15.7563 15.7563 15.9240 15.9240 19.2170 19.2170 19.3858 19.3858 19.8908 19.8908 22.1197 22.1197 22.9243 22.9243 23.3676 23.3676 23.5666 23.5666 k = 0.0000 0.1827-0.0000 ( 2369 PWs) bands (ev): -64.9794 -64.9794 -36.0706 -36.0706 -33.3530 -33.3530 -21.1811 -21.1811 -21.1384 -21.1384 -12.7074 -12.7074 -12.0601 -12.0601 -12.0088 -12.0088 12.9644 12.9644 15.7900 15.7900 15.9736 15.9736 19.2063 19.2063 19.3864 19.3864 19.9069 19.9069 22.0537 22.0537 22.9257 22.9257 23.2935 23.2935 23.4755 23.4755 k = 0.0000 0.1923-0.0000 ( 2377 PWs) bands (ev): -64.9793 -64.9793 -36.0702 -36.0702 -33.3534 -33.3534 -21.1844 -21.1844 -21.1376 -21.1376 -12.7099 -12.7099 -12.0650 -12.0650 -12.0091 -12.0091 13.0363 13.0363 15.8253 15.8253 16.0248 16.0248 19.1955 19.1955 19.3864 19.3864 19.9249 19.9249 21.9854 21.9854 22.9149 22.9149 23.2326 23.2326 23.3842 23.3842 k = 0.0000 0.2019-0.0000 ( 2365 PWs) bands (ev): -64.9791 -64.9791 -36.0699 -36.0699 -33.3537 -33.3537 -21.1876 -21.1876 -21.1367 -21.1367 -12.7125 -12.7125 -12.0700 -12.0700 -12.0095 -12.0095 13.1110 13.1110 15.8621 15.8621 16.0777 16.0777 19.1845 19.1845 19.3856 19.3856 19.9447 19.9447 21.9151 21.9151 22.8857 22.8857 23.1912 23.1912 23.2930 23.2930 k = 0.0000 0.2115-0.0000 ( 2381 PWs) bands (ev): -64.9789 -64.9789 -36.0695 -36.0695 -33.3542 -33.3542 -21.1910 -21.1910 -21.1359 -21.1359 -12.7153 -12.7153 -12.0750 -12.0750 -12.0098 -12.0098 13.1882 13.1882 15.9003 15.9003 16.1318 16.1318 19.1735 19.1735 19.3842 19.3842 19.9663 19.9663 21.8429 21.8429 22.8364 22.8364 23.1709 23.1709 23.2024 23.2024 k = 0.0000 0.2212-0.0000 ( 2373 PWs) bands (ev): -64.9787 -64.9787 -36.0691 -36.0691 -33.3546 -33.3546 -21.1944 -21.1944 -21.1351 -21.1351 -12.7181 -12.7181 -12.0801 -12.0801 -12.0102 -12.0102 13.2678 13.2678 15.9399 15.9399 16.1872 16.1872 19.1625 19.1625 19.3822 19.3822 19.9896 19.9896 21.7690 21.7690 22.7723 22.7723 23.1125 23.1125 23.1668 23.1668 k = 0.0000 0.2308-0.0000 ( 2369 PWs) bands (ev): -64.9786 -64.9786 -36.0687 -36.0687 -33.3549 -33.3549 -21.1978 -21.1978 -21.1342 -21.1342 -12.7210 -12.7210 -12.0851 -12.0851 -12.0105 -12.0105 13.3496 13.3496 15.9809 15.9809 16.2436 16.2436 19.1514 19.1514 19.3798 19.3798 20.0145 20.0145 21.6936 21.6936 22.6997 22.6997 23.0236 23.0236 23.1723 23.1723 k = 0.0000 0.2404-0.0000 ( 2369 PWs) bands (ev): -64.9784 -64.9784 -36.0683 -36.0683 -33.3554 -33.3554 -21.2013 -21.2013 -21.1333 -21.1333 -12.7239 -12.7239 -12.0902 -12.0902 -12.0109 -12.0109 13.4334 13.4334 16.0231 16.0231 16.3008 16.3008 19.1404 19.1404 19.3770 19.3770 20.0409 20.0409 21.6169 21.6169 22.6233 22.6233 22.9361 22.9361 23.1829 23.1829 k = 0.0000 0.2500-0.0000 ( 2373 PWs) bands (ev): -64.9782 -64.9782 -36.0680 -36.0680 -33.3558 -33.3558 -21.2048 -21.2048 -21.1325 -21.1325 -12.7269 -12.7269 -12.0952 -12.0952 -12.0112 -12.0112 13.5191 13.5191 16.0666 16.0666 16.3586 16.3586 19.1295 19.1295 19.3739 19.3739 20.0687 20.0687 21.5391 21.5391 22.5454 22.5454 22.8499 22.8499 23.1960 23.1960 k = 0.0000 0.2596-0.0000 ( 2372 PWs) bands (ev): -64.9780 -64.9780 -36.0676 -36.0676 -33.3562 -33.3562 -21.2082 -21.2082 -21.1316 -21.1316 -12.7300 -12.7300 -12.1002 -12.1002 -12.0116 -12.0116 13.6063 13.6063 16.1111 16.1111 16.4168 16.4168 19.1187 19.1187 19.3706 19.3706 20.0978 20.0978 21.4606 21.4606 22.4676 22.4676 22.7655 22.7655 23.2101 23.2101 k = 0.0000 0.2692-0.0000 ( 2352 PWs) bands (ev): -64.9778 -64.9778 -36.0672 -36.0672 -33.3565 -33.3565 -21.2116 -21.2116 -21.1307 -21.1307 -12.7331 -12.7331 -12.1050 -12.1050 -12.0120 -12.0120 13.6949 13.6949 16.1566 16.1566 16.4752 16.4752 19.1080 19.1080 19.3672 19.3672 20.1279 20.1279 21.3814 21.3814 22.3908 22.3908 22.6829 22.6829 23.2242 23.2242 k = 0.0000 0.2788-0.0000 ( 2352 PWs) bands (ev): -64.9777 -64.9777 -36.0668 -36.0668 -33.3569 -33.3569 -21.2150 -21.2150 -21.1298 -21.1298 -12.7362 -12.7362 -12.1098 -12.1098 -12.0123 -12.0123 13.7846 13.7846 16.2031 16.2031 16.5336 16.5336 19.0975 19.0975 19.3638 19.3638 20.1590 20.1590 21.3019 21.3019 22.3155 22.3155 22.6024 22.6024 23.2375 23.2375 k = 0.0000 0.2885-0.0000 ( 2352 PWs) bands (ev): -64.9775 -64.9775 -36.0664 -36.0664 -33.3573 -33.3573 -21.2184 -21.2184 -21.1290 -21.1290 -12.7393 -12.7393 -12.1145 -12.1145 -12.0127 -12.0127 13.8751 13.8751 16.2503 16.2503 16.5917 16.5917 19.0871 19.0871 19.3604 19.3604 20.1907 20.1907 21.2224 21.2224 22.2421 22.2421 22.5240 22.5240 23.2494 23.2494 k = 0.0000 0.2981-0.0000 ( 2352 PWs) bands (ev): -64.9773 -64.9773 -36.0661 -36.0661 -33.3577 -33.3577 -21.2217 -21.2217 -21.1281 -21.1281 -12.7424 -12.7424 -12.1191 -12.1191 -12.0130 -12.0130 13.9661 13.9661 16.2982 16.2982 16.6494 16.6494 19.0769 19.0769 19.3571 19.3571 20.2230 20.2230 21.1432 21.1432 22.1709 22.1709 22.4480 22.4480 23.2595 23.2595 k = 0.0000 0.3077-0.0000 ( 2356 PWs) bands (ev): -64.9771 -64.9771 -36.0657 -36.0657 -33.3581 -33.3581 -21.2250 -21.2250 -21.1273 -21.1273 -12.7455 -12.7455 -12.1235 -12.1235 -12.0134 -12.0134 14.0574 14.0574 16.3467 16.3467 16.7062 16.7062 19.0668 19.0668 19.3540 19.3540 20.2554 20.2554 21.0647 21.0647 22.1022 22.1022 22.3745 22.3745 23.2670 23.2670 k = 0.0000 0.3173-0.0000 ( 2356 PWs) bands (ev): -64.9770 -64.9770 -36.0653 -36.0653 -33.3585 -33.3585 -21.2282 -21.2282 -21.1265 -21.1265 -12.7486 -12.7486 -12.1278 -12.1278 -12.0137 -12.0137 14.1486 14.1486 16.3955 16.3955 16.7622 16.7622 19.0569 19.0569 19.3511 19.3511 20.2876 20.2876 20.9875 20.9875 22.0362 22.0362 22.3035 22.3035 23.2718 23.2718 k = 0.0000 0.3269-0.0000 ( 2360 PWs) bands (ev): -64.9768 -64.9768 -36.0650 -36.0650 -33.3589 -33.3589 -21.2313 -21.2313 -21.1257 -21.1257 -12.7516 -12.7516 -12.1319 -12.1319 -12.0140 -12.0140 14.2394 14.2394 16.4445 16.4445 16.8169 16.8169 19.0471 19.0471 19.3485 19.3485 20.3189 20.3189 20.9122 20.9122 21.9730 21.9730 22.2353 22.2353 23.2731 23.2731 k = 0.0000 0.3365-0.0000 ( 2360 PWs) bands (ev): -64.9767 -64.9767 -36.0647 -36.0647 -33.3592 -33.3592 -21.2343 -21.2343 -21.1250 -21.1250 -12.7546 -12.7546 -12.1359 -12.1359 -12.0144 -12.0144 14.3293 14.3293 16.4935 16.4935 16.8702 16.8702 19.0375 19.0375 19.3463 19.3463 20.3485 20.3485 20.8399 20.8399 21.9128 21.9128 22.1700 22.1700 23.2707 23.2707 k = 0.0000 0.3462-0.0000 ( 2360 PWs) bands (ev): -64.9765 -64.9765 -36.0643 -36.0643 -33.3596 -33.3596 -21.2372 -21.2372 -21.1242 -21.1242 -12.7575 -12.7575 -12.1396 -12.1396 -12.0147 -12.0147 14.4180 14.4180 16.5424 16.5424 16.9218 16.9218 19.0280 19.0280 19.3444 19.3444 20.3746 20.3746 20.7724 20.7724 21.8557 21.8557 22.1076 22.1076 23.2643 23.2643 k = 0.0000 0.3558-0.0000 ( 2360 PWs) bands (ev): -64.9764 -64.9764 -36.0640 -36.0640 -33.3599 -33.3599 -21.2400 -21.2400 -21.1235 -21.1235 -12.7603 -12.7603 -12.1432 -12.1432 -12.0150 -12.0150 14.5051 14.5051 16.5908 16.5908 16.9716 16.9716 19.0186 19.0186 19.3429 19.3429 20.3939 20.3939 20.7129 20.7129 21.8018 21.8018 22.0483 22.0483 23.2535 23.2535 k = 0.0000 0.3654-0.0000 ( 2360 PWs) bands (ev): -64.9762 -64.9762 -36.0637 -36.0637 -33.3602 -33.3602 -21.2426 -21.2426 -21.1229 -21.1229 -12.7630 -12.7630 -12.1466 -12.1466 -12.0152 -12.0152 14.5901 14.5901 16.6385 16.6385 17.0192 17.0192 19.0093 19.0093 19.3419 19.3419 20.4010 20.4010 20.6674 20.6674 21.7513 21.7513 21.9922 21.9922 23.2345 23.2345 k = 0.0000 0.3750-0.0000 ( 2368 PWs) bands (ev): -64.9761 -64.9761 -36.0635 -36.0635 -33.3606 -33.3606 -21.2451 -21.2451 -21.1222 -21.1222 -12.7656 -12.7656 -12.1497 -12.1497 -12.0155 -12.0155 14.6726 14.6726 16.6853 16.6853 17.0645 17.0645 19.0002 19.0002 19.3412 19.3412 20.3888 20.3888 20.6427 20.6427 21.7042 21.7042 21.9394 21.9394 23.1863 23.1863 k = 0.0000 0.3846-0.0000 ( 2364 PWs) bands (ev): -64.9760 -64.9760 -36.0632 -36.0632 -33.3608 -33.3608 -21.2475 -21.2475 -21.1216 -21.1216 -12.7680 -12.7680 -12.1527 -12.1527 -12.0158 -12.0158 14.7520 14.7520 16.7309 16.7309 17.1073 17.1073 18.9912 18.9912 19.3410 19.3410 20.3566 20.3566 20.6399 20.6399 21.6606 21.6606 21.8899 21.8899 23.1398 23.1398 k = 0.0000 0.3942-0.0000 ( 2364 PWs) bands (ev): -64.9759 -64.9759 -36.0629 -36.0629 -33.3611 -33.3611 -21.2497 -21.2497 -21.1211 -21.1211 -12.7703 -12.7703 -12.1554 -12.1554 -12.0160 -12.0160 14.8278 14.8278 16.7748 16.7748 17.1474 17.1474 18.9824 18.9824 19.3413 19.3413 20.3113 20.3113 20.6520 20.6520 21.6206 21.6206 21.8440 21.8440 23.0953 23.0953 k = 0.0000 0.4038-0.0000 ( 2364 PWs) bands (ev): -64.9758 -64.9758 -36.0627 -36.0627 -33.3613 -33.3613 -21.2517 -21.2517 -21.1205 -21.1205 -12.7725 -12.7725 -12.1579 -12.1579 -12.0162 -12.0162 14.8996 14.8996 16.8169 16.8169 17.1847 17.1847 18.9738 18.9738 19.3420 19.3420 20.2605 20.2605 20.6716 20.6716 21.5841 21.5841 21.8016 21.8016 23.0530 23.0530 k = 0.0000 0.4135-0.0000 ( 2364 PWs) bands (ev): -64.9757 -64.9757 -36.0625 -36.0625 -33.3615 -33.3615 -21.2535 -21.2535 -21.1201 -21.1201 -12.7745 -12.7745 -12.1602 -12.1602 -12.0164 -12.0164 14.9667 14.9667 16.8566 16.8566 17.2188 17.2188 18.9655 18.9655 19.3431 19.3431 20.2087 20.2087 20.6944 20.6944 21.5512 21.5512 21.7629 21.7629 23.0133 23.0133 k = 0.0000 0.4231-0.0000 ( 2372 PWs) bands (ev): -64.9756 -64.9756 -36.0623 -36.0623 -33.3618 -33.3618 -21.2553 -21.2553 -21.1196 -21.1196 -12.7763 -12.7763 -12.1623 -12.1623 -12.0166 -12.0166 15.0286 15.0286 16.8937 16.8937 17.2498 17.2498 18.9575 18.9575 19.3446 19.3446 20.1585 20.1585 20.7179 20.7179 21.5220 21.5220 21.7280 21.7280 22.9765 22.9765 k = 0.0000 0.4327-0.0000 ( 2376 PWs) bands (ev): -64.9755 -64.9755 -36.0622 -36.0622 -33.3620 -33.3620 -21.2568 -21.2568 -21.1193 -21.1193 -12.7780 -12.7780 -12.1641 -12.1641 -12.0168 -12.0168 15.0849 15.0849 16.9277 16.9277 17.2775 17.2775 18.9500 18.9500 19.3463 19.3463 20.1114 20.1114 20.7407 20.7407 21.4963 21.4963 21.6968 21.6968 22.9429 22.9429 k = 0.0000 0.4423-0.0000 ( 2376 PWs) bands (ev): -64.9754 -64.9754 -36.0620 -36.0620 -33.3621 -33.3621 -21.2581 -21.2581 -21.1189 -21.1189 -12.7794 -12.7794 -12.1657 -12.1657 -12.0169 -12.0169 15.1349 15.1349 16.9582 16.9582 17.3018 17.3018 18.9432 18.9432 19.3483 19.3483 20.0686 20.0686 20.7620 20.7620 21.4742 21.4742 21.6697 21.6697 22.9130 22.9130 k = 0.0000 0.4519-0.0000 ( 2368 PWs) bands (ev): -64.9754 -64.9754 -36.0619 -36.0619 -33.3622 -33.3622 -21.2592 -21.2592 -21.1186 -21.1186 -12.7806 -12.7806 -12.1670 -12.1670 -12.0170 -12.0170 15.1781 15.1781 16.9848 16.9848 17.3224 17.3224 18.9371 18.9371 19.3504 19.3504 20.0307 20.0307 20.7810 20.7810 21.4557 21.4557 21.6465 21.6465 22.8869 22.8869 k = 0.0000 0.4615-0.0000 ( 2368 PWs) bands (ev): -64.9753 -64.9753 -36.0618 -36.0618 -33.3623 -33.3623 -21.2601 -21.2601 -21.1184 -21.1184 -12.7816 -12.7816 -12.1681 -12.1681 -12.0171 -12.0171 15.2142 15.2142 17.0072 17.0072 17.3395 17.3395 18.9318 18.9318 19.3524 19.3524 19.9986 19.9986 20.7973 20.7973 21.4406 21.4406 21.6274 21.6274 22.8651 22.8651 k = 0.0000 0.4712-0.0000 ( 2368 PWs) bands (ev): -64.9753 -64.9753 -36.0617 -36.0617 -33.3624 -33.3624 -21.2608 -21.2608 -21.1182 -21.1182 -12.7824 -12.7824 -12.1690 -12.1690 -12.0172 -12.0172 15.2427 15.2427 17.0250 17.0250 17.3528 17.3528 18.9276 18.9276 19.3543 19.3543 19.9730 19.9730 20.8104 20.8104 21.4289 21.4289 21.6125 21.6125 22.8478 22.8478 k = 0.0000 0.4808-0.0000 ( 2368 PWs) bands (ev): -64.9753 -64.9753 -36.0616 -36.0616 -33.3625 -33.3625 -21.2613 -21.2613 -21.1181 -21.1181 -12.7830 -12.7830 -12.1696 -12.1696 -12.0173 -12.0173 15.2633 15.2633 17.0379 17.0379 17.3624 17.3624 18.9245 18.9245 19.3558 19.3558 19.9542 19.9542 20.8200 20.8200 21.4206 21.4206 21.6018 21.6018 22.8352 22.8352 k = 0.0000 0.4904-0.0000 ( 2368 PWs) bands (ev): -64.9752 -64.9752 -36.0616 -36.0616 -33.3625 -33.3625 -21.2616 -21.2616 -21.1180 -21.1180 -12.7833 -12.7833 -12.1699 -12.1699 -12.0173 -12.0173 15.2758 15.2758 17.0458 17.0458 17.3682 17.3682 18.9226 18.9226 19.3567 19.3567 19.9427 19.9427 20.8259 20.8259 21.4157 21.4157 21.5953 21.5953 22.8276 22.8276 k = 0.0000 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9752 -64.9752 -36.0616 -36.0616 -33.3625 -33.3625 -21.2617 -21.2617 -21.1180 -21.1180 -12.7835 -12.7835 -12.1701 -12.1701 -12.0173 -12.0173 15.2800 15.2800 17.0484 17.0484 17.3701 17.3701 18.9219 18.9219 19.3571 19.3571 19.9389 19.9389 20.8279 20.8279 21.4140 21.4140 21.5932 21.5932 22.8251 22.8251 k = 0.0000 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9752 -64.9752 -36.0616 -36.0616 -33.3625 -33.3625 -21.2617 -21.2617 -21.1180 -21.1180 -12.7835 -12.7835 -12.1701 -12.1701 -12.0173 -12.0173 15.2800 15.2800 17.0484 17.0484 17.3701 17.3701 18.9219 18.9219 19.3571 19.3571 19.9389 19.9389 20.8279 20.8279 21.4140 21.4140 21.5932 21.5932 22.8251 22.8251 k = 0.0096 0.5000-0.0000 ( 2368 PWs) bands (ev): -64.9752 -64.9752 -36.0616 -36.0616 -33.3626 -33.3626 -21.2618 -21.2618 -21.1181 -21.1181 -12.7834 -12.7834 -12.1701 -12.1701 -12.0174 -12.0174 15.2811 15.2811 17.0488 17.0488 17.3681 17.3681 18.9200 18.9200 19.3524 19.3524 19.9475 19.9475 20.8097 20.8097 21.4258 21.4258 21.6009 21.6009 22.8266 22.8266 k = 0.0192 0.5000-0.0000 ( 2372 PWs) bands (ev): -64.9752 -64.9752 -36.0615 -36.0615 -33.3627 -33.3627 -21.2619 -21.2619 -21.1184 -21.1184 -12.7834 -12.7834 -12.1701 -12.1701 -12.0176 -12.0176 15.2844 15.2844 17.0502 17.0502 17.3620 17.3620 18.9144 18.9144 19.3393 19.3393 19.9723 19.9723 20.7606 20.7606 21.4527 21.4527 21.6271 21.6271 22.8311 22.8311 k = 0.0288 0.5000-0.0000 ( 2376 PWs) bands (ev): -64.9752 -64.9752 -36.0613 -36.0613 -33.3628 -33.3628 -21.2621 -21.2621 -21.1189 -21.1189 -12.7833 -12.7833 -12.1702 -12.1702 -12.0179 -12.0179 15.2898 15.2898 17.0525 17.0525 17.3519 17.3519 18.9057 18.9057 19.3197 19.3197 20.0109 20.0109 20.6912 20.6912 21.4795 21.4795 21.6766 21.6766 22.8384 22.8384 k = 0.0385 0.5000-0.0000 ( 2376 PWs) bands (ev): -64.9752 -64.9752 -36.0611 -36.0611 -33.3630 -33.3630 -21.2624 -21.2624 -21.1196 -21.1196 -12.7832 -12.7832 -12.1702 -12.1702 -12.0184 -12.0184 15.2973 15.2973 17.0559 17.0559 17.3376 17.3376 18.8946 18.8946 19.2956 19.2956 20.0601 20.0601 20.6105 20.6105 21.4991 21.4991 21.7478 21.7478 22.8483 22.8483 k = 0.0481 0.5000-0.0000 ( 2376 PWs) bands (ev): -64.9751 -64.9751 -36.0609 -36.0609 -33.3633 -33.3633 -21.2628 -21.2628 -21.1204 -21.1204 -12.7830 -12.7830 -12.1703 -12.1703 -12.0191 -12.0191 15.3067 15.3067 17.0605 17.0605 17.3190 17.3190 18.8821 18.8821 19.2690 19.2690 20.1161 20.1161 20.5249 20.5249 21.5132 21.5132 21.8337 21.8337 22.8606 22.8606 k = 0.0577 0.5000-0.0000 ( 2376 PWs) bands (ev): -64.9750 -64.9750 -36.0606 -36.0606 -33.3636 -33.3636 -21.2633 -21.2633 -21.1215 -21.1215 -12.7828 -12.7828 -12.1705 -12.1705 -12.0198 -12.0198 15.3178 15.3178 17.0664 17.0664 17.2962 17.2962 18.8690 18.8690 19.2412 19.2412 20.1728 20.1728 20.4417 20.4417 21.5247 21.5247 21.9283 21.9283 22.8751 22.8751 k = 0.0673 0.5000-0.0000 ( 2372 PWs) bands (ev): -64.9750 -64.9750 -36.0602 -36.0602 -33.3639 -33.3639 -21.2639 -21.2639 -21.1227 -21.1227 -12.7826 -12.7826 -12.1706 -12.1706 -12.0207 -12.0207 15.3303 15.3303 17.0739 17.0739 17.2693 17.2693 18.8560 18.8560 19.2135 19.2135 20.2098 20.2098 20.3815 20.3815 21.5352 21.5352 22.0280 22.0280 22.8917 22.8917 k = 0.0769 0.5000-0.0000 ( 2370 PWs) bands (ev): -64.9749 -64.9749 -36.0598 -36.0598 -33.3643 -33.3643 -21.2645 -21.2645 -21.1240 -21.1240 -12.7823 -12.7823 -12.1708 -12.1708 -12.0216 -12.0216 15.3440 15.3440 17.0829 17.0829 17.2386 17.2386 18.8431 18.8431 19.1871 19.1871 20.1786 20.1786 20.3928 20.3928 21.5455 21.5455 22.1307 22.1307 22.9101 22.9101 k = 0.0865 0.5000-0.0000 ( 2362 PWs) bands (ev): -64.9748 -64.9748 -36.0594 -36.0594 -33.3647 -33.3647 -21.2653 -21.2653 -21.1256 -21.1256 -12.7821 -12.7821 -12.1711 -12.1711 -12.0227 -12.0227 15.3586 15.3586 17.0927 17.0927 17.2052 17.2052 18.8301 18.8301 19.1633 19.1633 20.0998 20.0998 20.4548 20.4548 21.5561 21.5561 22.2353 22.2353 22.9302 22.9302 k = 0.0962 0.5000-0.0000 ( 2356 PWs) bands (ev): -64.9747 -64.9747 -36.0588 -36.0588 -33.3652 -33.3652 -21.2661 -21.2661 -21.1272 -21.1272 -12.7818 -12.7818 -12.1714 -12.1714 -12.0239 -12.0239 15.3738 15.3738 17.0998 17.0998 17.1732 17.1732 18.8160 18.8160 19.1439 19.1439 20.0092 20.0092 20.5313 20.5313 21.5672 21.5672 22.3409 22.3409 22.9520 22.9520 k = 0.1058 0.5000-0.0000 ( 2356 PWs) bands (ev): -64.9746 -64.9746 -36.0583 -36.0583 -33.3658 -33.3658 -21.2671 -21.2671 -21.1290 -21.1290 -12.7814 -12.7814 -12.1717 -12.1717 -12.0251 -12.0251 15.3892 15.3892 17.0892 17.0892 17.1584 17.1584 18.7997 18.7997 19.1306 19.1306 19.9158 19.9158 20.6133 20.6133 21.5788 21.5788 22.4469 22.4469 22.9753 22.9753 k = 0.1154 0.5000-0.0000 ( 2356 PWs) bands (ev): -64.9745 -64.9745 -36.0577 -36.0577 -33.3664 -33.3664 -21.2682 -21.2682 -21.1309 -21.1309 -12.7811 -12.7811 -12.1721 -12.1721 -12.0264 -12.0264 15.4044 15.4044 17.0529 17.0529 17.1695 17.1695 18.7797 18.7797 19.1251 19.1251 19.8217 19.8217 20.6981 20.6981 21.5910 21.5910 22.5529 22.5529 23.0000 23.0000 k = 0.1250 0.5000-0.0000 ( 2346 PWs) bands (ev): -64.9744 -64.9744 -36.0571 -36.0571 -33.3670 -33.3670 -21.2694 -21.2694 -21.1329 -21.1329 -12.7808 -12.7808 -12.1726 -12.1726 -12.0277 -12.0277 15.4190 15.4190 17.0057 17.0057 17.1924 17.1924 18.7552 18.7552 19.1287 19.1287 19.7282 19.7282 20.7846 20.7846 21.6039 21.6039 22.6584 22.6584 23.0260 23.0260 k = 0.1346 0.5000-0.0000 ( 2352 PWs) bands (ev): -64.9742 -64.9742 -36.0564 -36.0564 -33.3677 -33.3677 -21.2707 -21.2707 -21.1350 -21.1350 -12.7804 -12.7804 -12.1731 -12.1731 -12.0290 -12.0290 15.4328 15.4328 16.9538 16.9538 17.2218 17.2218 18.7259 18.7259 19.1416 19.1416 19.6355 19.6355 20.8720 20.8720 21.6175 21.6175 22.7631 22.7631 23.0533 23.0533 k = 0.1442 0.5000-0.0000 ( 2352 PWs) bands (ev): -64.9741 -64.9741 -36.0557 -36.0557 -33.3684 -33.3684 -21.2721 -21.2721 -21.1371 -21.1371 -12.7801 -12.7801 -12.1737 -12.1737 -12.0304 -12.0304 15.4453 15.4453 16.8988 16.8988 17.2569 17.2569 18.6923 18.6923 19.1634 19.1634 19.5442 19.5442 20.9597 20.9597 21.6318 21.6318 22.8664 22.8664 23.0819 23.0819 k = 0.1538 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9740 -64.9740 -36.0549 -36.0549 -33.3692 -33.3692 -21.2737 -21.2737 -21.1393 -21.1393 -12.7798 -12.7798 -12.1743 -12.1743 -12.0318 -12.0318 15.4562 15.4562 16.8416 16.8416 17.2976 17.2976 18.6551 18.6551 19.1935 19.1935 19.4544 19.4544 21.0473 21.0473 21.6471 21.6471 22.9670 22.9670 23.1128 23.1128 k = 0.1635 0.5000-0.0000 ( 2354 PWs) bands (ev): -64.9738 -64.9738 -36.0541 -36.0541 -33.3700 -33.3700 -21.2753 -21.2753 -21.1415 -21.1415 -12.7794 -12.7794 -12.1751 -12.1751 -12.0331 -12.0331 15.4653 15.4653 16.7827 16.7827 17.3438 17.3438 18.6151 18.6151 19.2307 19.2307 19.3665 19.3665 21.1341 21.1341 21.6634 21.6634 23.0610 23.0610 23.1495 23.1495 k = 0.1731 0.5000-0.0000 ( 2358 PWs) bands (ev): -64.9737 -64.9737 -36.0533 -36.0533 -33.3708 -33.3708 -21.2771 -21.2771 -21.1438 -21.1438 -12.7791 -12.7791 -12.1759 -12.1759 -12.0344 -12.0344 15.4725 15.4725 16.7227 16.7227 17.3957 17.3957 18.5731 18.5731 19.2683 19.2683 19.2868 19.2868 21.2198 21.2198 21.6809 21.6809 23.1326 23.1326 23.2072 23.2072 k = 0.1827 0.5000-0.0000 ( 2358 PWs) bands (ev): -64.9735 -64.9735 -36.0524 -36.0524 -33.3716 -33.3716 -21.2791 -21.2791 -21.1460 -21.1460 -12.7788 -12.7788 -12.1768 -12.1768 -12.0357 -12.0357 15.4775 15.4775 16.6620 16.6620 17.4533 17.4533 18.5297 18.5297 19.1947 19.1947 19.3262 19.3262 21.3036 21.3036 21.7001 21.7001 23.1750 23.1750 23.2925 23.2925 k = 0.1923 0.5000-0.0000 ( 2358 PWs) bands (ev): -64.9733 -64.9733 -36.0516 -36.0516 -33.3725 -33.3725 -21.2811 -21.2811 -21.1483 -21.1483 -12.7785 -12.7785 -12.1778 -12.1778 -12.0369 -12.0369 15.4802 15.4802 16.6008 16.6008 17.5166 17.5166 18.4856 18.4856 19.1130 19.1130 19.3814 19.3814 21.3845 21.3845 21.7217 21.7217 23.2071 23.2071 23.3860 23.3860 k = 0.2019 0.5000-0.0000 ( 2362 PWs) bands (ev): -64.9732 -64.9732 -36.0507 -36.0507 -33.3734 -33.3734 -21.2833 -21.2833 -21.1505 -21.1505 -12.7783 -12.7783 -12.1788 -12.1788 -12.0381 -12.0381 15.4808 15.4808 16.5396 16.5396 17.5852 17.5852 18.4411 18.4411 19.0335 19.0335 19.4417 19.4417 21.4612 21.4612 21.7468 21.7468 23.2358 23.2358 23.4802 23.4802 k = 0.2115 0.5000-0.0000 ( 2358 PWs) bands (ev): -64.9730 -64.9730 -36.0498 -36.0498 -33.3743 -33.3743 -21.2856 -21.2856 -21.1526 -21.1526 -12.7780 -12.7780 -12.1800 -12.1800 -12.0392 -12.0392 15.4793 15.4793 16.4785 16.4785 17.6588 17.6588 18.3969 18.3969 18.9566 18.9566 19.5065 19.5065 21.5315 21.5315 21.7772 21.7772 23.2627 23.2627 23.5733 23.5733 k = 0.2212 0.5000-0.0000 ( 2362 PWs) bands (ev): -64.9728 -64.9728 -36.0489 -36.0489 -33.3752 -33.3752 -21.2880 -21.2880 -21.1548 -21.1548 -12.7778 -12.7778 -12.1812 -12.1812 -12.0402 -12.0402 15.4757 15.4757 16.4179 16.4179 17.7366 17.7366 18.3536 18.3536 18.8826 18.8826 19.5754 19.5754 21.5929 21.5929 21.8155 21.8155 23.2878 23.2878 23.6646 23.6646 k = 0.2308 0.5000-0.0000 ( 2362 PWs) bands (ev): -64.9727 -64.9727 -36.0479 -36.0479 -33.3762 -33.3762 -21.2905 -21.2905 -21.1568 -21.1568 -12.7776 -12.7776 -12.1825 -12.1825 -12.0411 -12.0411 15.4702 15.4702 16.3579 16.3579 17.8172 17.8172 18.3123 18.3123 18.8122 18.8122 19.6482 19.6482 21.6433 21.6433 21.8634 21.8634 23.3110 23.3110 23.7539 23.7539 k = 0.2404 0.5000-0.0000 ( 2362 PWs) bands (ev): -64.9725 -64.9725 -36.0470 -36.0470 -33.3771 -33.3771 -21.2931 -21.2931 -21.1588 -21.1588 -12.7775 -12.7775 -12.1839 -12.1839 -12.0420 -12.0420 15.4629 15.4629 16.2988 16.2988 17.8978 17.8978 18.2750 18.2750 18.7460 18.7460 19.7244 19.7244 21.6830 21.6830 21.9204 21.9204 23.3322 23.3322 23.8408 23.8408 k = 0.2500 0.5000-0.0000 ( 2356 PWs) bands (ev): -64.9723 -64.9723 -36.0461 -36.0461 -33.3780 -33.3780 -21.2958 -21.2958 -21.1607 -21.1607 -12.7774 -12.7774 -12.1853 -12.1853 -12.0427 -12.0427 15.4541 15.4541 16.2407 16.2407 17.9718 17.9718 18.2467 18.2467 18.6859 18.6859 19.8038 19.8038 21.7144 21.7144 21.9838 21.9838 23.3509 23.3509 23.9252 23.9252 k = 0.2596 0.5000-0.0000 ( 2356 PWs) bands (ev): -64.9721 -64.9721 -36.0451 -36.0451 -33.3790 -33.3790 -21.2985 -21.2985 -21.1625 -21.1625 -12.7773 -12.7773 -12.1868 -12.1868 -12.0434 -12.0434 15.4439 15.4439 16.1839 16.1839 18.0241 18.0241 18.2389 18.2389 18.6351 18.6351 19.8861 19.8861 21.7404 21.7404 22.0507 22.0507 23.3670 23.3670 24.0068 24.0068 k = 0.2692 0.5000-0.0000 ( 2356 PWs) bands (ev): -64.9720 -64.9720 -36.0442 -36.0442 -33.3799 -33.3799 -21.3014 -21.3014 -21.1643 -21.1643 -12.7773 -12.7773 -12.1883 -12.1883 -12.0439 -12.0439 15.4325 15.4325 16.1284 16.1284 18.0374 18.0374 18.2610 18.2610 18.6017 18.6017 19.9711 19.9711 21.7628 21.7628 22.1189 22.1189 23.3800 23.3800 24.0854 24.0854 k = 0.2788 0.5000-0.0000 ( 2352 PWs) bands (ev): -64.9718 -64.9718 -36.0432 -36.0432 -33.3808 -33.3808 -21.3043 -21.3043 -21.1659 -21.1659 -12.7773 -12.7773 -12.1899 -12.1899 -12.0444 -12.0444 15.4201 15.4201 16.0744 16.0744 18.0201 18.0201 18.2882 18.2882 18.6019 18.6019 20.0584 20.0584 21.7831 21.7831 22.1870 22.1870 23.3897 23.3897 24.1608 24.1608 k = 0.2885 0.5000-0.0000 ( 2356 PWs) bands (ev): -64.9716 -64.9716 -36.0423 -36.0423 -33.3818 -33.3818 -21.3072 -21.3072 -21.1674 -21.1674 -12.7773 -12.7773 -12.1915 -12.1915 -12.0448 -12.0448 15.4069 15.4069 16.0221 16.0221 17.9899 17.9899 18.2889 18.2889 18.6495 18.6495 20.1479 20.1479 21.8017 21.8017 22.2540 22.2540 23.3956 23.3956 24.2321 24.2321 k = 0.2981 0.5000-0.0000 ( 2356 PWs) bands (ev): -64.9714 -64.9714 -36.0414 -36.0414 -33.3827 -33.3827 -21.3101 -21.3101 -21.1689 -21.1689 -12.7774 -12.7774 -12.1931 -12.1931 -12.0451 -12.0451 15.3932 15.3932 15.9714 15.9714 17.9550 17.9550 18.2640 18.2640 18.7353 18.7353 20.2392 20.2392 21.8193 21.8193 22.3194 22.3194 23.3974 23.3974 24.2976 24.2976 k = 0.3077 0.5000-0.0000 ( 2356 PWs) bands (ev): -64.9713 -64.9713 -36.0405 -36.0405 -33.3836 -33.3836 -21.3131 -21.3131 -21.1703 -21.1703 -12.7775 -12.7775 -12.1947 -12.1947 -12.0453 -12.0453 15.3790 15.3790 15.9226 15.9226 17.9187 17.9187 18.2268 18.2268 18.8424 18.8424 20.3321 20.3321 21.8359 21.8359 22.3827 22.3827 23.3947 23.3947 24.3506 24.3506 k = 0.3173 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9711 -64.9711 -36.0396 -36.0396 -33.3845 -33.3845 -21.3160 -21.3160 -21.1716 -21.1716 -12.7776 -12.7776 -12.1963 -12.1963 -12.0455 -12.0455 15.3646 15.3646 15.8757 15.8757 17.8822 17.8822 18.1851 18.1851 18.9616 18.9616 20.4263 20.4263 21.8517 21.8517 22.4436 22.4436 23.3873 23.3873 24.3741 24.3741 k = 0.3269 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9709 -64.9709 -36.0388 -36.0388 -33.3853 -33.3853 -21.3190 -21.3190 -21.1728 -21.1728 -12.7777 -12.7777 -12.1979 -12.1979 -12.0456 -12.0456 15.3501 15.3501 15.8307 15.8307 17.8462 17.8462 18.1425 18.1425 19.0884 19.0884 20.5215 20.5215 21.8668 21.8668 22.5018 22.5018 23.3749 23.3749 24.3675 24.3675 k = 0.3365 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9708 -64.9708 -36.0380 -36.0380 -33.3861 -33.3861 -21.3218 -21.3218 -21.1739 -21.1739 -12.7779 -12.7779 -12.1994 -12.1994 -12.0456 -12.0456 15.3356 15.3356 15.7879 15.7879 17.8112 17.8112 18.1006 18.1006 19.2205 19.2205 20.6173 20.6173 21.8813 21.8813 22.5569 22.5569 23.3573 23.3573 24.3479 24.3479 k = 0.3462 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9706 -64.9706 -36.0372 -36.0372 -33.3869 -33.3869 -21.3246 -21.3246 -21.1749 -21.1749 -12.7781 -12.7781 -12.2009 -12.2009 -12.0456 -12.0456 15.3212 15.3212 15.7471 15.7471 17.7773 17.7773 18.0602 18.0602 19.3566 19.3566 20.7136 20.7136 21.8950 21.8950 22.6087 22.6087 23.3343 23.3343 24.3225 24.3225 k = 0.3558 0.5000-0.0000 ( 2364 PWs) bands (ev): -64.9705 -64.9705 -36.0364 -36.0364 -33.3877 -33.3877 -21.3274 -21.3274 -21.1758 -21.1758 -12.7783 -12.7783 -12.2024 -12.2024 -12.0456 -12.0456 15.3072 15.3072 15.7086 15.7086 17.7448 17.7448 18.0217 18.0217 19.4958 19.4958 20.8098 20.8098 21.9081 21.9081 22.6568 22.6568 23.3060 23.3060 24.2933 24.2933 k = 0.3654 0.5000-0.0000 ( 2368 PWs) bands (ev): -64.9704 -64.9704 -36.0357 -36.0357 -33.3885 -33.3885 -21.3300 -21.3300 -21.1767 -21.1767 -12.7786 -12.7786 -12.2038 -12.2038 -12.0455 -12.0455 15.2936 15.2936 15.6723 15.6723 17.7138 17.7138 17.9855 17.9855 19.6372 19.6372 20.9057 20.9057 21.9205 21.9205 22.7005 22.7005 23.2726 23.2726 24.2614 24.2614 k = 0.3750 0.5000-0.0000 ( 2372 PWs) bands (ev): -64.9702 -64.9702 -36.0350 -36.0350 -33.3892 -33.3892 -21.3325 -21.3325 -21.1775 -21.1775 -12.7788 -12.7788 -12.2051 -12.2051 -12.0454 -12.0454 15.2806 15.2806 15.6383 15.6383 17.6845 17.6845 17.9516 17.9516 19.7802 19.7802 21.0008 21.0008 21.9322 21.9322 22.7390 22.7390 23.2348 23.2348 24.2271 24.2271 k = 0.3846 0.5000-0.0000 ( 2368 PWs) bands (ev): -64.9701 -64.9701 -36.0344 -36.0344 -33.3898 -33.3898 -21.3349 -21.3349 -21.1782 -21.1782 -12.7791 -12.7791 -12.2064 -12.2064 -12.0452 -12.0452 15.2681 15.2681 15.6067 15.6067 17.6569 17.6569 17.9201 17.9201 19.9240 19.9240 21.0948 21.0948 21.9431 21.9431 22.7709 22.7709 23.1937 23.1937 24.1910 24.1910 k = 0.3942 0.5000-0.0000 ( 2372 PWs) bands (ev): -64.9700 -64.9700 -36.0337 -36.0337 -33.3904 -33.3904 -21.3372 -21.3372 -21.1789 -21.1789 -12.7793 -12.7793 -12.2076 -12.2076 -12.0451 -12.0451 15.2563 15.2563 15.5774 15.5774 17.6312 17.6312 17.8910 17.8910 20.0681 20.0681 21.1872 21.1872 21.9533 21.9533 22.7937 22.7937 23.1520 23.1520 24.1534 24.1534 k = 0.4038 0.5000-0.0000 ( 2368 PWs) bands (ev): -64.9699 -64.9699 -36.0332 -36.0332 -33.3910 -33.3910 -21.3393 -21.3393 -21.1794 -21.1794 -12.7796 -12.7796 -12.2087 -12.2087 -12.0449 -12.0449 15.2453 15.2453 15.5506 15.5506 17.6074 17.6074 17.8645 17.8645 20.2114 20.2114 21.2776 21.2776 21.9626 21.9626 22.8028 22.8028 23.1139 23.1139 24.1149 24.1149 k = 0.4135 0.5000-0.0000 ( 2364 PWs) bands (ev): -64.9698 -64.9698 -36.0327 -36.0327 -33.3915 -33.3915 -21.3412 -21.3412 -21.1799 -21.1799 -12.7798 -12.7798 -12.2097 -12.2097 -12.0448 -12.0448 15.2352 15.2352 15.5263 15.5263 17.5856 17.5856 17.8406 17.8406 20.3532 20.3532 21.3656 21.3656 21.9711 21.9711 22.7924 22.7924 23.0857 23.0857 24.0760 24.0760 k = 0.4231 0.5000-0.0000 ( 2364 PWs) bands (ev): -64.9697 -64.9697 -36.0322 -36.0322 -33.3920 -33.3920 -21.3430 -21.3430 -21.1804 -21.1804 -12.7800 -12.7800 -12.2107 -12.2107 -12.0446 -12.0446 15.2260 15.2260 15.5044 15.5044 17.5660 17.5660 17.8191 17.8191 20.4921 20.4921 21.4508 21.4508 21.9788 21.9788 22.7586 22.7586 23.0714 23.0714 24.0374 24.0374 k = 0.4327 0.5000-0.0000 ( 2364 PWs) bands (ev): -64.9696 -64.9696 -36.0318 -36.0318 -33.3924 -33.3924 -21.3446 -21.3446 -21.1808 -21.1808 -12.7802 -12.7802 -12.2115 -12.2115 -12.0445 -12.0445 15.2177 15.2177 15.4850 15.4850 17.5485 17.5485 17.8002 17.8002 20.6269 20.6269 21.5330 21.5330 21.9855 21.9855 22.7034 22.7034 23.0695 23.0695 24.0000 24.0000 k = 0.4423 0.5000-0.0000 ( 2368 PWs) bands (ev): -64.9696 -64.9696 -36.0314 -36.0314 -33.3928 -33.3928 -21.3460 -21.3460 -21.1811 -21.1811 -12.7804 -12.7804 -12.2122 -12.2122 -12.0443 -12.0443 15.2104 15.2104 15.4682 15.4682 17.5332 17.5332 17.7839 17.7839 20.7554 20.7554 21.6120 21.6120 21.9913 21.9913 22.6328 22.6328 23.0747 23.0747 23.9645 23.9645 k = 0.4519 0.5000-0.0000 ( 2372 PWs) bands (ev): -64.9695 -64.9695 -36.0311 -36.0311 -33.3931 -33.3931 -21.3472 -21.3472 -21.1814 -21.1814 -12.7806 -12.7806 -12.2128 -12.2128 -12.0442 -12.0442 15.2042 15.2042 15.4539 15.4539 17.5202 17.5202 17.7700 17.7700 20.8754 20.8754 21.6883 21.6883 21.9962 21.9962 22.5517 22.5517 23.0829 23.0829 23.9321 23.9321 k = 0.4615 0.5000-0.0000 ( 2370 PWs) bands (ev): -64.9695 -64.9695 -36.0309 -36.0309 -33.3933 -33.3933 -21.3482 -21.3482 -21.1816 -21.1816 -12.7807 -12.7807 -12.2133 -12.2133 -12.0441 -12.0441 15.1991 15.1991 15.4422 15.4422 17.5095 17.5095 17.7587 17.7587 20.9834 20.9834 21.7625 21.7625 22.0002 22.0002 22.4641 22.4641 23.0914 23.0914 23.9036 23.9036 k = 0.4712 0.5000-0.0000 ( 2366 PWs) bands (ev): -64.9694 -64.9694 -36.0307 -36.0307 -33.3935 -33.3935 -21.3489 -21.3489 -21.1818 -21.1818 -12.7808 -12.7808 -12.2137 -12.2137 -12.0440 -12.0440 15.1951 15.1951 15.4331 15.4331 17.5011 17.5011 17.7499 17.7499 21.0752 21.0752 21.8359 21.8359 22.0034 22.0034 22.3730 22.3730 23.0989 23.0989 23.8802 23.8802 k = 0.4808 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9694 -64.9694 -36.0305 -36.0305 -33.3936 -33.3936 -21.3495 -21.3495 -21.1819 -21.1819 -12.7809 -12.7809 -12.2140 -12.2140 -12.0440 -12.0440 15.1922 15.1922 15.4266 15.4266 17.4951 17.4951 17.7437 17.7437 21.1461 21.1461 21.9090 21.9090 22.0064 22.0064 22.2818 22.2818 23.1046 23.1046 23.8627 23.8627 k = 0.4904 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9694 -64.9694 -36.0304 -36.0304 -33.3937 -33.3937 -21.3498 -21.3498 -21.1820 -21.1820 -12.7810 -12.7810 -12.2142 -12.2142 -12.0439 -12.0439 15.1904 15.1904 15.4227 15.4227 17.4915 17.4915 17.7399 17.7399 21.1910 21.1910 21.9757 21.9757 22.0137 22.0137 22.1965 22.1965 23.1081 23.1081 23.8519 23.8519 k = 0.5000 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9694 -64.9694 -36.0304 -36.0304 -33.3937 -33.3937 -21.3499 -21.3499 -21.1820 -21.1820 -12.7810 -12.7810 -12.2142 -12.2142 -12.0439 -12.0439 15.1899 15.1899 15.4214 15.4214 17.4903 17.4903 17.7387 17.7387 21.2064 21.2064 21.9964 21.9964 22.0387 22.0387 22.1466 22.1466 23.1093 23.1093 23.8482 23.8482 k = 0.5000 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9694 -64.9694 -36.0304 -36.0304 -33.3937 -33.3937 -21.3499 -21.3499 -21.1820 -21.1820 -12.7810 -12.7810 -12.2142 -12.2142 -12.0439 -12.0439 15.1899 15.1899 15.4214 15.4214 17.4903 17.4903 17.7387 17.7387 21.2064 21.2064 21.9964 21.9964 22.0387 22.0387 22.1466 22.1466 23.1093 23.1093 23.8482 23.8482 k = 0.4932 0.4932-0.0000 ( 2360 PWs) bands (ev): -64.9694 -64.9694 -36.0304 -36.0304 -33.3937 -33.3937 -21.3498 -21.3498 -21.1820 -21.1820 -12.7810 -12.7810 -12.2142 -12.2142 -12.0439 -12.0439 15.1905 15.1905 15.4227 15.4227 17.4916 17.4916 17.7399 17.7399 21.1909 21.1909 21.9693 21.9693 22.0207 22.0207 22.1958 22.1958 23.1081 23.1081 23.8519 23.8519 k = 0.4863 0.4863-0.0000 ( 2362 PWs) bands (ev): -64.9694 -64.9694 -36.0305 -36.0305 -33.3936 -33.3936 -21.3495 -21.3495 -21.1819 -21.1819 -12.7809 -12.7809 -12.2140 -12.2140 -12.0440 -12.0440 15.1922 15.1922 15.4267 15.4267 17.4952 17.4952 17.7438 17.7438 21.1463 21.1463 21.8866 21.8866 22.0331 22.0331 22.2762 22.2762 23.1045 23.1045 23.8633 23.8633 k = 0.4795 0.4795-0.0000 ( 2366 PWs) bands (ev): -64.9694 -64.9694 -36.0307 -36.0307 -33.3935 -33.3935 -21.3489 -21.3489 -21.1818 -21.1818 -12.7808 -12.7808 -12.2137 -12.2137 -12.0440 -12.0440 15.1950 15.1950 15.4334 15.4334 17.5012 17.5012 17.7502 17.7502 21.0782 21.0782 21.7921 21.7921 22.0557 22.0557 22.3586 22.3586 23.0988 23.0988 23.8826 23.8826 k = 0.4726 0.4726-0.0000 ( 2370 PWs) bands (ev): -64.9695 -64.9695 -36.0309 -36.0309 -33.3933 -33.3933 -21.3481 -21.3481 -21.1816 -21.1816 -12.7807 -12.7807 -12.2133 -12.2133 -12.0441 -12.0441 15.1987 15.1987 15.4429 15.4429 17.5095 17.5095 17.7593 17.7593 20.9922 20.9922 21.6924 21.6924 22.0804 22.0804 22.4382 22.4382 23.0913 23.0913 23.9105 23.9105 k = 0.4658 0.4658-0.0000 ( 2370 PWs) bands (ev): -64.9695 -64.9695 -36.0311 -36.0311 -33.3931 -33.3931 -21.3471 -21.3471 -21.1814 -21.1814 -12.7806 -12.7806 -12.2128 -12.2128 -12.0442 -12.0442 15.2032 15.2032 15.4551 15.4551 17.5201 17.5201 17.7711 17.7711 20.8932 20.8932 21.5884 21.5884 22.1034 22.1034 22.5125 22.5125 23.0825 23.0825 23.9476 23.9476 k = 0.4589 0.4589-0.0000 ( 2368 PWs) bands (ev): -64.9696 -64.9696 -36.0314 -36.0314 -33.3927 -33.3927 -21.3459 -21.3459 -21.1811 -21.1811 -12.7804 -12.7804 -12.2121 -12.2121 -12.0444 -12.0444 15.2083 15.2083 15.4703 15.4703 17.5327 17.5327 17.7857 17.7857 20.7851 20.7851 21.4804 21.4804 22.1224 22.1224 22.5793 22.5793 23.0732 23.0732 23.9945 23.9945 k = 0.4521 0.4521-0.0000 ( 2368 PWs) bands (ev): -64.9697 -64.9697 -36.0318 -36.0318 -33.3924 -33.3924 -21.3445 -21.3445 -21.1808 -21.1808 -12.7801 -12.7801 -12.2114 -12.2114 -12.0445 -12.0445 15.2138 15.2138 15.4884 15.4884 17.5473 17.5473 17.8032 17.8032 20.6704 20.6704 21.3686 21.3686 22.1361 22.1361 22.6367 22.6367 23.0643 23.0643 24.0518 24.0518 k = 0.4452 0.4452-0.0000 ( 2366 PWs) bands (ev): -64.9697 -64.9697 -36.0322 -36.0322 -33.3919 -33.3919 -21.3428 -21.3428 -21.1804 -21.1804 -12.7799 -12.7799 -12.2105 -12.2105 -12.0447 -12.0447 15.2194 15.2194 15.5096 15.5096 17.5637 17.5637 17.8238 17.8238 20.5509 20.5509 21.2533 21.2533 22.1438 22.1438 22.6830 22.6830 23.0568 23.0568 24.1196 24.1196 k = 0.4384 0.4384-0.0000 ( 2360 PWs) bands (ev): -64.9698 -64.9698 -36.0327 -36.0327 -33.3914 -33.3914 -21.3409 -21.3409 -21.1800 -21.1800 -12.7796 -12.7796 -12.2095 -12.2095 -12.0448 -12.0448 15.2249 15.2249 15.5337 15.5337 17.5817 17.5817 17.8475 17.8475 20.4282 20.4282 21.1348 21.1348 22.1453 22.1453 22.7171 22.7171 23.0518 23.0518 24.1978 24.1978 k = 0.4315 0.4315-0.0000 ( 2360 PWs) bands (ev): -64.9699 -64.9699 -36.0332 -36.0332 -33.3909 -33.3909 -21.3389 -21.3389 -21.1795 -21.1795 -12.7792 -12.7792 -12.2084 -12.2084 -12.0450 -12.0450 15.2301 15.2301 15.5608 15.5608 17.6011 17.6011 17.8744 17.8744 20.3032 20.3032 21.0136 21.0136 22.1408 22.1408 22.7388 22.7388 23.0496 23.0496 24.2857 24.2857 k = 0.4247 0.4247-0.0000 ( 2360 PWs) bands (ev): -64.9700 -64.9700 -36.0338 -36.0338 -33.3903 -33.3903 -21.3366 -21.3366 -21.1790 -21.1790 -12.7788 -12.7788 -12.2071 -12.2071 -12.0452 -12.0452 15.2347 15.2347 15.5908 15.5908 17.6219 17.6219 17.9046 17.9046 20.1767 20.1767 20.8901 20.8901 22.1303 22.1303 22.7489 22.7489 23.0503 23.0503 24.3825 24.3825 k = 0.4178 0.4178-0.0000 ( 2360 PWs) bands (ev): -64.9701 -64.9701 -36.0344 -36.0344 -33.3897 -33.3897 -21.3342 -21.3342 -21.1785 -21.1785 -12.7784 -12.7784 -12.2058 -12.2058 -12.0454 -12.0454 15.2387 15.2387 15.6236 15.6236 17.6439 17.6439 17.9382 17.9382 20.0495 20.0495 20.7648 20.7648 22.1143 22.1143 22.7495 22.7495 23.0528 23.0528 24.4869 24.4869 k = 0.4110 0.4110-0.0000 ( 2352 PWs) bands (ev): -64.9703 -64.9703 -36.0351 -36.0351 -33.3890 -33.3890 -21.3315 -21.3315 -21.1779 -21.1779 -12.7779 -12.7779 -12.2043 -12.2043 -12.0456 -12.0456 15.2417 15.2417 15.6590 15.6590 17.6669 17.6669 17.9752 17.9752 19.9219 19.9219 20.6384 20.6384 22.0933 22.0933 22.7428 22.7428 23.0560 23.0560 24.5975 24.5975 k = 0.4041 0.4041-0.0000 ( 2352 PWs) bands (ev): -64.9704 -64.9704 -36.0358 -36.0358 -33.3883 -33.3883 -21.3287 -21.3287 -21.1773 -21.1773 -12.7773 -12.7773 -12.2027 -12.2027 -12.0458 -12.0458 15.2435 15.2435 15.6968 15.6968 17.6910 17.6910 18.0154 18.0154 19.7945 19.7945 20.5113 20.5113 22.0678 22.0678 22.7308 22.7308 23.0587 23.0587 24.5377 24.5377 k = 0.3973 0.3973-0.0000 ( 2352 PWs) bands (ev): -64.9706 -64.9706 -36.0365 -36.0365 -33.3876 -33.3876 -21.3258 -21.3258 -21.1766 -21.1766 -12.7767 -12.7767 -12.2010 -12.2010 -12.0459 -12.0459 15.2439 15.2439 15.7369 15.7369 17.7159 17.7159 18.0587 18.0587 19.6677 19.6677 20.3841 20.3841 22.0383 22.0383 22.7151 22.7151 23.0604 23.0604 24.4551 24.4551 k = 0.3904 0.3904-0.0000 ( 2352 PWs) bands (ev): -64.9707 -64.9707 -36.0373 -36.0373 -33.3868 -33.3868 -21.3226 -21.3226 -21.1759 -21.1759 -12.7761 -12.7761 -12.1991 -12.1991 -12.0461 -12.0461 15.2426 15.2426 15.7790 15.7790 17.7418 17.7418 18.1051 18.1051 19.5419 19.5419 20.2576 20.2576 22.0057 22.0057 22.6969 22.6969 23.0606 23.0606 24.3689 24.3689 k = 0.3836 0.3836-0.0000 ( 2356 PWs) bands (ev): -64.9709 -64.9709 -36.0381 -36.0381 -33.3860 -33.3860 -21.3194 -21.3194 -21.1752 -21.1752 -12.7754 -12.7754 -12.1971 -12.1971 -12.0462 -12.0462 15.2395 15.2395 15.8228 15.8228 17.7685 17.7685 18.1542 18.1542 19.4175 19.4175 20.1322 20.1322 21.9706 21.9706 22.6770 22.6770 23.0592 23.0592 24.2795 24.2795 k = 0.3767 0.3767-0.0000 ( 2356 PWs) bands (ev): -64.9711 -64.9711 -36.0390 -36.0390 -33.3851 -33.3851 -21.3159 -21.3159 -21.1745 -21.1745 -12.7746 -12.7746 -12.1950 -12.1950 -12.0463 -12.0463 15.2341 15.2341 15.8680 15.8680 17.7961 17.7961 18.2055 18.2055 19.2952 19.2952 20.0087 20.0087 21.9337 21.9337 22.6560 22.6560 23.0563 23.0563 24.1873 24.1873 k = 0.3699 0.3699-0.0000 ( 2356 PWs) bands (ev): -64.9712 -64.9712 -36.0398 -36.0398 -33.3842 -33.3842 -21.3124 -21.3124 -21.1737 -21.1737 -12.7738 -12.7738 -12.1927 -12.1927 -12.0464 -12.0464 15.2263 15.2263 15.9143 15.9143 17.8246 17.8246 18.2584 18.2584 19.1756 19.1756 19.8878 19.8878 21.8958 21.8958 22.6341 22.6341 23.0519 23.0519 24.0927 24.0927 k = 0.3630 0.3630-0.0000 ( 2364 PWs) bands (ev): -64.9714 -64.9714 -36.0407 -36.0407 -33.3834 -33.3834 -21.3087 -21.3087 -21.1730 -21.1730 -12.7729 -12.7729 -12.1903 -12.1903 -12.0465 -12.0465 15.2156 15.2156 15.9612 15.9612 17.8538 17.8538 18.3116 18.3116 19.0599 19.0599 19.7703 19.7703 21.8576 21.8576 22.6116 22.6116 23.0462 23.0462 23.9962 23.9962 k = 0.3562 0.3562-0.0000 ( 2360 PWs) bands (ev): -64.9716 -64.9716 -36.0417 -36.0417 -33.3824 -33.3824 -21.3049 -21.3049 -21.1721 -21.1721 -12.7719 -12.7719 -12.1878 -12.1878 -12.0465 -12.0465 15.2019 15.2019 16.0084 16.0084 17.8839 17.8839 18.3629 18.3629 18.9503 18.9503 19.6569 19.6569 21.8197 21.8197 22.5888 22.5888 23.0394 23.0394 23.8982 23.8982 k = 0.3493 0.3493-0.0000 ( 2358 PWs) bands (ev): -64.9718 -64.9718 -36.0426 -36.0426 -33.3814 -33.3814 -21.3010 -21.3010 -21.1713 -21.1713 -12.7709 -12.7709 -12.1852 -12.1852 -12.0465 -12.0465 15.1848 15.1848 16.0553 16.0553 17.9147 17.9147 18.4070 18.4070 18.8517 18.8517 19.5486 19.5486 21.7829 21.7829 22.5657 22.5657 23.0314 23.0314 23.7992 23.7992 k = 0.3425 0.3425-0.0000 ( 2362 PWs) bands (ev): -64.9720 -64.9720 -36.0436 -36.0436 -33.3805 -33.3805 -21.2970 -21.2970 -21.1705 -21.1705 -12.7697 -12.7697 -12.1824 -12.1824 -12.0464 -12.0464 15.1640 15.1640 16.1016 16.1016 17.9462 17.9462 18.4320 18.4320 18.7757 18.7757 19.4467 19.4467 21.7478 21.7478 22.5426 22.5426 23.0226 23.0226 23.6994 23.6994 k = 0.3356 0.3356-0.0000 ( 2358 PWs) bands (ev): -64.9722 -64.9722 -36.0446 -36.0446 -33.3795 -33.3795 -21.2929 -21.2929 -21.1696 -21.1696 -12.7685 -12.7685 -12.1795 -12.1795 -12.0463 -12.0463 15.1392 15.1392 16.1466 16.1466 17.9782 17.9782 18.4178 18.4178 18.7413 18.7413 19.3530 19.3530 21.7150 21.7150 22.5194 22.5194 23.0128 23.0128 23.5994 23.5994 k = 0.3288 0.3288-0.0000 ( 2356 PWs) bands (ev): -64.9725 -64.9725 -36.0456 -36.0456 -33.3785 -33.3785 -21.2888 -21.2888 -21.1687 -21.1687 -12.7673 -12.7673 -12.1764 -12.1764 -12.0461 -12.0461 15.1102 15.1102 16.1898 16.1898 18.0102 18.0102 18.3599 18.3599 18.7514 18.7514 19.2700 19.2700 21.6852 21.6852 22.4964 22.4964 23.0022 23.0022 23.4996 23.4996 k = 0.3219 0.3219-0.0000 ( 2356 PWs) bands (ev): -64.9727 -64.9727 -36.0466 -36.0466 -33.3775 -33.3775 -21.2845 -21.2845 -21.1679 -21.1679 -12.7659 -12.7659 -12.1733 -12.1733 -12.0459 -12.0459 15.0767 15.0767 16.2306 16.2306 18.0408 18.0408 18.2790 18.2790 18.7826 18.7826 19.2024 19.2024 21.6588 21.6588 22.4737 22.4737 22.9906 22.9906 23.4008 23.4008 k = 0.3151 0.3151-0.0000 ( 2362 PWs) bands (ev): -64.9729 -64.9729 -36.0476 -36.0476 -33.3765 -33.3765 -21.2802 -21.2802 -21.1670 -21.1670 -12.7645 -12.7645 -12.1700 -12.1700 -12.0456 -12.0456 15.0385 15.0385 16.2684 16.2684 18.0630 18.0630 18.1973 18.1973 18.8118 18.8118 19.1587 19.1587 21.6364 21.6364 22.4513 22.4513 22.9779 22.9779 23.3036 23.3036 k = 0.3082 0.3082-0.0000 ( 2358 PWs) bands (ev): -64.9731 -64.9731 -36.0486 -36.0486 -33.3754 -33.3754 -21.2759 -21.2759 -21.1661 -21.1661 -12.7630 -12.7630 -12.1666 -12.1666 -12.0453 -12.0453 14.9956 14.9956 16.3025 16.3025 18.0394 18.0394 18.1587 18.1587 18.8218 18.8218 19.1498 19.1498 21.6185 21.6185 22.4294 22.4294 22.9630 22.9630 23.2093 23.2093 k = 0.3014 0.3014-0.0000 ( 2358 PWs) bands (ev): -64.9734 -64.9734 -36.0496 -36.0496 -33.3744 -33.3744 -21.2715 -21.2715 -21.1653 -21.1653 -12.7614 -12.7614 -12.1630 -12.1630 -12.0449 -12.0449 14.9478 14.9478 16.3325 16.3325 17.9584 17.9584 18.1774 18.1774 18.8086 18.8086 19.1774 19.1774 21.6054 21.6054 22.4081 22.4081 22.9439 22.9439 23.1209 23.1209 k = 0.2945 0.2945-0.0000 ( 2358 PWs) bands (ev): -64.9736 -64.9736 -36.0506 -36.0506 -33.3734 -33.3734 -21.2671 -21.2671 -21.1644 -21.1644 -12.7598 -12.7598 -12.1594 -12.1594 -12.0445 -12.0445 14.8952 14.8952 16.3577 16.3577 17.8640 17.8640 18.2105 18.2105 18.7821 18.7821 19.2303 19.2303 21.5977 21.5977 22.3875 22.3875 22.9139 22.9139 23.0452 23.0452 k = 0.2877 0.2877-0.0000 ( 2354 PWs) bands (ev): -64.9739 -64.9739 -36.0516 -36.0516 -33.3723 -33.3723 -21.2627 -21.2627 -21.1635 -21.1635 -12.7580 -12.7580 -12.1556 -12.1556 -12.0440 -12.0440 14.8378 14.8378 16.3778 16.3778 17.7673 17.7673 18.2475 18.2475 18.7531 18.7531 19.2971 19.2971 21.5956 21.5956 22.3677 22.3677 22.8624 22.8624 22.9937 22.9937 k = 0.2808 0.2808-0.0000 ( 2354 PWs) bands (ev): -64.9741 -64.9741 -36.0526 -36.0526 -33.3713 -33.3713 -21.2582 -21.2582 -21.1627 -21.1627 -12.7562 -12.7562 -12.1517 -12.1517 -12.0434 -12.0434 14.7758 14.7758 16.3924 16.3924 17.6705 17.6705 18.2863 18.2863 18.7276 18.7276 19.3711 19.3711 21.5994 21.5994 22.3490 22.3490 22.7914 22.7914 22.9648 22.9648 k = 0.2740 0.2740-0.0000 ( 2358 PWs) bands (ev): -64.9744 -64.9744 -36.0536 -36.0536 -33.3703 -33.3703 -21.2538 -21.2538 -21.1618 -21.1618 -12.7543 -12.7543 -12.1477 -12.1477 -12.0428 -12.0428 14.7095 14.7095 16.4014 16.4014 17.5745 17.5745 18.3263 18.3263 18.7082 18.7082 19.4489 19.4489 21.6094 21.6094 22.3313 22.3313 22.7139 22.7139 22.9463 22.9463 k = 0.2671 0.2671-0.0000 ( 2350 PWs) bands (ev): -64.9746 -64.9746 -36.0546 -36.0546 -33.3693 -33.3693 -21.2494 -21.2494 -21.1610 -21.1610 -12.7524 -12.7524 -12.1436 -12.1436 -12.0421 -12.0421 14.6390 14.6390 16.4048 16.4048 17.4794 17.4794 18.3671 18.3671 18.6960 18.6960 19.5285 19.5285 21.6257 21.6257 22.3150 22.3150 22.6368 22.6368 22.9320 22.9320 k = 0.2603 0.2603-0.0000 ( 2350 PWs) bands (ev): -64.9749 -64.9749 -36.0556 -36.0556 -33.3683 -33.3683 -21.2449 -21.2449 -21.1602 -21.1602 -12.7504 -12.7504 -12.1394 -12.1394 -12.0413 -12.0413 14.5648 14.5648 16.4026 16.4026 17.3855 17.3855 18.4085 18.4085 18.6914 18.6914 19.6083 19.6083 21.6484 21.6484 22.3000 22.3000 22.5631 22.5631 22.9197 22.9197 k = 0.2534 0.2534-0.0000 ( 2352 PWs) bands (ev): -64.9751 -64.9751 -36.0565 -36.0565 -33.3673 -33.3673 -21.2406 -21.2406 -21.1594 -21.1594 -12.7483 -12.7483 -12.1351 -12.1351 -12.0405 -12.0405 14.4873 14.4873 16.3952 16.3952 17.2930 17.2930 18.4501 18.4501 18.6943 18.6943 19.6870 19.6870 21.6775 21.6775 22.2866 22.2866 22.4944 22.4944 22.9086 22.9086 k = 0.2466 0.2466-0.0000 ( 2350 PWs) bands (ev): -64.9754 -64.9754 -36.0575 -36.0575 -33.3664 -33.3664 -21.2362 -21.2362 -21.1586 -21.1586 -12.7461 -12.7461 -12.1308 -12.1308 -12.0396 -12.0396 14.4068 14.4068 16.3828 16.3828 17.2020 17.2020 18.4915 18.4915 18.7043 18.7043 19.7637 19.7637 21.7129 21.7129 22.2749 22.2749 22.4323 22.4323 22.8984 22.8984 k = 0.2397 0.2397-0.0000 ( 2350 PWs) bands (ev): -64.9756 -64.9756 -36.0584 -36.0584 -33.3654 -33.3654 -21.2319 -21.2319 -21.1578 -21.1578 -12.7439 -12.7439 -12.1263 -12.1263 -12.0387 -12.0387 14.3238 14.3238 16.3659 16.3659 17.1126 17.1126 18.5325 18.5325 18.7209 18.7209 19.8370 19.8370 21.7544 21.7544 22.2651 22.2651 22.3781 22.3781 22.8888 22.8888 k = 0.2329 0.2329-0.0000 ( 2350 PWs) bands (ev): -64.9759 -64.9759 -36.0593 -36.0593 -33.3645 -33.3645 -21.2276 -21.2276 -21.1571 -21.1571 -12.7417 -12.7417 -12.1218 -12.1218 -12.0377 -12.0377 14.2386 14.2386 16.3450 16.3450 17.0248 17.0248 18.5727 18.5727 18.7435 18.7435 19.9058 19.9058 21.8016 21.8016 22.2577 22.2577 22.3329 22.3329 22.8800 22.8800 k = 0.2260 0.2260-0.0000 ( 2350 PWs) bands (ev): -64.9761 -64.9761 -36.0602 -36.0602 -33.3636 -33.3636 -21.2234 -21.2234 -21.1564 -21.1564 -12.7394 -12.7394 -12.1172 -12.1172 -12.0367 -12.0367 14.1519 14.1519 16.3204 16.3204 16.9388 16.9388 18.6118 18.6118 18.7713 18.7713 19.9688 19.9688 21.8538 21.8538 22.2532 22.2532 22.2981 22.2981 22.8717 22.8717 k = 0.2192 0.2192-0.0000 ( 2354 PWs) bands (ev): -64.9764 -64.9764 -36.0611 -36.0611 -33.3627 -33.3627 -21.2193 -21.2193 -21.1557 -21.1557 -12.7370 -12.7370 -12.1125 -12.1125 -12.0356 -12.0356 14.0639 14.0639 16.2929 16.2929 16.8547 16.8547 18.6497 18.6497 18.8035 18.8035 20.0249 20.0249 21.9102 21.9102 22.2530 22.2530 22.2742 22.2742 22.8641 22.8641 k = 0.2123 0.2123-0.0000 ( 2354 PWs) bands (ev): -64.9766 -64.9766 -36.0619 -36.0619 -33.3619 -33.3619 -21.2152 -21.2152 -21.1550 -21.1550 -12.7346 -12.7346 -12.1078 -12.1078 -12.0344 -12.0344 13.9752 13.9752 16.2626 16.2626 16.7726 16.7726 18.6867 18.6867 18.8392 18.8392 20.0728 20.0728 21.9694 21.9694 22.2594 22.2594 22.2614 22.2614 22.8571 22.8571 k = 0.2055 0.2055-0.0000 ( 2358 PWs) bands (ev): -64.9769 -64.9769 -36.0627 -36.0627 -33.3610 -33.3610 -21.2112 -21.2112 -21.1544 -21.1544 -12.7322 -12.7322 -12.1031 -12.1031 -12.0333 -12.0333 13.8861 13.8861 16.2302 16.2302 16.6924 16.6924 18.7227 18.7227 18.8772 18.8772 20.1117 20.1117 22.0293 22.0293 22.2551 22.2551 22.2795 22.2795 22.8509 22.8509 k = 0.1986 0.1986-0.0000 ( 2356 PWs) bands (ev): -64.9771 -64.9771 -36.0635 -36.0635 -33.3602 -33.3602 -21.2073 -21.2073 -21.1538 -21.1538 -12.7298 -12.7298 -12.0983 -12.0983 -12.0321 -12.0321 13.7969 13.7969 16.1960 16.1960 16.6144 16.6144 18.7580 18.7580 18.9166 18.9166 20.1411 20.1411 22.0883 22.0883 22.2557 22.2557 22.3148 22.3148 22.8455 22.8455 k = 0.1918 0.1918-0.0000 ( 2360 PWs) bands (ev): -64.9774 -64.9774 -36.0643 -36.0643 -33.3595 -33.3595 -21.2035 -21.2035 -21.1532 -21.1532 -12.7273 -12.7273 -12.0936 -12.0936 -12.0308 -12.0308 13.7082 13.7082 16.1604 16.1604 16.5385 16.5385 18.7928 18.7928 18.9566 18.9566 20.1606 20.1606 22.1455 22.1455 22.2615 22.2615 22.3675 22.3675 22.8411 22.8411 k = 0.1849 0.1849-0.0000 ( 2360 PWs) bands (ev): -64.9776 -64.9776 -36.0650 -36.0650 -33.3587 -33.3587 -21.1997 -21.1997 -21.1527 -21.1527 -12.7249 -12.7249 -12.0888 -12.0888 -12.0296 -12.0296 13.6201 13.6201 16.1237 16.1237 16.4648 16.4648 18.8271 18.8271 18.9965 18.9965 20.1706 20.1706 22.2000 22.2000 22.2745 22.2745 22.4356 22.4356 22.8379 22.8379 k = 0.1781 0.1781-0.0000 ( 2364 PWs) bands (ev): -64.9778 -64.9778 -36.0657 -36.0657 -33.3580 -33.3580 -21.1961 -21.1961 -21.1522 -21.1522 -12.7224 -12.7224 -12.0840 -12.0840 -12.0283 -12.0283 13.5331 13.5331 16.0863 16.0863 16.3935 16.3935 18.8609 18.8609 19.0357 19.0357 20.1718 20.1718 22.2436 22.2436 22.3052 22.3052 22.5149 22.5149 22.8367 22.8367 k = 0.1712 0.1712-0.0000 ( 2366 PWs) bands (ev): -64.9781 -64.9781 -36.0664 -36.0664 -33.3573 -33.3573 -21.1926 -21.1926 -21.1517 -21.1517 -12.7200 -12.7200 -12.0792 -12.0792 -12.0270 -12.0270 13.4474 13.4474 16.0484 16.0484 16.3244 16.3244 18.8941 18.8941 19.0737 19.0737 20.1651 20.1651 22.2685 22.2685 22.3628 22.3628 22.6011 22.6011 22.8389 22.8389 k = 0.1644 0.1644-0.0000 ( 2366 PWs) bands (ev): -64.9783 -64.9783 -36.0670 -36.0670 -33.3566 -33.3566 -21.1891 -21.1891 -21.1512 -21.1512 -12.7176 -12.7176 -12.0745 -12.0745 -12.0257 -12.0257 13.3632 13.3632 16.0103 16.0103 16.2578 16.2578 18.9267 18.9267 19.1102 19.1102 20.1518 20.1518 22.2868 22.2868 22.4350 22.4350 22.6882 22.6882 22.8486 22.8486 k = 0.1575 0.1575-0.0000 ( 2365 PWs) bands (ev): -64.9785 -64.9785 -36.0677 -36.0677 -33.3560 -33.3560 -21.1858 -21.1858 -21.1508 -21.1508 -12.7152 -12.7152 -12.0698 -12.0698 -12.0244 -12.0244 13.2809 13.2809 15.9722 15.9722 16.1935 16.1935 18.9585 18.9585 19.1448 19.1448 20.1331 20.1331 22.3048 22.3048 22.5137 22.5137 22.7622 22.7622 22.8799 22.8799 k = 0.1507 0.1507-0.0000 ( 2369 PWs) bands (ev): -64.9787 -64.9787 -36.0683 -36.0683 -33.3554 -33.3554 -21.1826 -21.1826 -21.1504 -21.1504 -12.7128 -12.7128 -12.0652 -12.0652 -12.0231 -12.0231 13.2007 13.2007 15.9344 15.9344 16.1318 16.1318 18.9895 18.9895 19.1774 19.1774 20.1103 20.1103 22.3240 22.3240 22.5931 22.5931 22.8066 22.8066 22.9513 22.9513 k = 0.1438 0.1438-0.0000 ( 2373 PWs) bands (ev): -64.9789 -64.9789 -36.0688 -36.0688 -33.3548 -33.3548 -21.1796 -21.1796 -21.1500 -21.1500 -12.7105 -12.7105 -12.0607 -12.0607 -12.0218 -12.0218 13.1227 13.1227 15.8971 15.8971 16.0725 16.0725 19.0196 19.0196 19.2077 19.2077 20.0845 20.0845 22.3446 22.3446 22.6633 22.6633 22.8443 22.8443 23.0478 23.0478 k = 0.1370 0.1370-0.0000 ( 2371 PWs) bands (ev): -64.9791 -64.9791 -36.0694 -36.0694 -33.3542 -33.3542 -21.1766 -21.1766 -21.1496 -21.1496 -12.7082 -12.7082 -12.0562 -12.0562 -12.0205 -12.0205 13.0473 13.0473 15.8605 15.8605 16.0158 16.0158 19.0486 19.0486 19.2356 19.2356 20.0569 20.0569 22.3668 22.3668 22.7104 22.7104 22.9033 22.9033 23.1532 23.1532 k = 0.1301 0.1301-0.0000 ( 2375 PWs) bands (ev): -64.9793 -64.9793 -36.0699 -36.0699 -33.3537 -33.3537 -21.1738 -21.1738 -21.1493 -21.1493 -12.7060 -12.7060 -12.0518 -12.0518 -12.0192 -12.0192 12.9745 12.9745 15.8246 15.8246 15.9616 15.9616 19.0764 19.0764 19.2608 19.2608 20.0285 20.0285 22.3902 22.3902 22.7337 22.7337 22.9878 22.9878 23.2621 23.2621 k = 0.1233 0.1233-0.0000 ( 2375 PWs) bands (ev): -64.9795 -64.9795 -36.0703 -36.0703 -33.3532 -33.3532 -21.1711 -21.1711 -21.1490 -21.1490 -12.7038 -12.7038 -12.0476 -12.0476 -12.0180 -12.0180 12.9045 12.9045 15.7898 15.7898 15.9101 15.9101 19.1030 19.1030 19.2834 19.2834 20.0000 20.0000 22.4149 22.4149 22.7443 22.7443 23.0870 23.0870 23.3724 23.3724 k = 0.1164 0.1164-0.0000 ( 2383 PWs) bands (ev): -64.9797 -64.9797 -36.0708 -36.0708 -33.3528 -33.3528 -21.1686 -21.1686 -21.1488 -21.1488 -12.7017 -12.7017 -12.0435 -12.0435 -12.0168 -12.0168 12.8376 12.8376 15.7561 15.7561 15.8612 15.8612 19.1282 19.1282 19.3031 19.3031 19.9722 19.9722 22.4405 22.4405 22.7494 22.7494 23.1935 23.1935 23.4829 23.4829 k = 0.1096 0.1096-0.0000 ( 2379 PWs) bands (ev): -64.9798 -64.9798 -36.0712 -36.0712 -33.3523 -33.3523 -21.1661 -21.1661 -21.1485 -21.1485 -12.6997 -12.6997 -12.0395 -12.0395 -12.0156 -12.0156 12.7738 12.7738 15.7237 15.7237 15.8150 15.8150 19.1521 19.1521 19.3199 19.3199 19.9458 19.9458 22.4667 22.4667 22.7519 22.7519 23.3037 23.3037 23.5926 23.5926 k = 0.1027 0.1027-0.0000 ( 2381 PWs) bands (ev): -64.9800 -64.9800 -36.0716 -36.0716 -33.3519 -33.3519 -21.1638 -21.1638 -21.1483 -21.1483 -12.6978 -12.6978 -12.0357 -12.0357 -12.0145 -12.0145 12.7132 12.7132 15.6927 15.6927 15.7714 15.7714 19.1745 19.1745 19.3337 19.3337 19.9214 19.9214 22.4933 22.4933 22.7531 22.7531 23.4154 23.4154 23.7005 23.7005 k = 0.0959 0.0959-0.0000 ( 2383 PWs) bands (ev): -64.9802 -64.9802 -36.0720 -36.0720 -33.3516 -33.3516 -21.1617 -21.1617 -21.1481 -21.1481 -12.6959 -12.6959 -12.0320 -12.0320 -12.0134 -12.0134 12.6561 12.6561 15.6632 15.6632 15.7305 15.7305 19.1953 19.1953 19.3445 19.3445 19.8993 19.8993 22.5200 22.5200 22.7537 22.7537 23.5273 23.5273 23.8059 23.8059 k = 0.0890 0.0890-0.0000 ( 2383 PWs) bands (ev): -64.9803 -64.9803 -36.0723 -36.0723 -33.3512 -33.3512 -21.1597 -21.1597 -21.1479 -21.1479 -12.6942 -12.6942 -12.0285 -12.0285 -12.0123 -12.0123 12.6024 12.6024 15.6353 15.6353 15.6924 15.6924 19.2146 19.2146 19.3524 19.3524 19.8798 19.8798 22.5465 22.5465 22.7538 22.7538 23.6382 23.6382 23.9078 23.9078 k = 0.0822 0.0822-0.0000 ( 2379 PWs) bands (ev): -64.9804 -64.9804 -36.0726 -36.0726 -33.3509 -33.3509 -21.1578 -21.1578 -21.1477 -21.1477 -12.6926 -12.6926 -12.0253 -12.0253 -12.0113 -12.0113 12.5523 12.5523 15.6091 15.6091 15.6570 15.6570 19.2324 19.2324 19.3574 19.3574 19.8632 19.8632 22.5725 22.5725 22.7538 22.7538 23.7472 23.7472 24.0054 24.0054 k = 0.0753 0.0753-0.0000 ( 2375 PWs) bands (ev): -64.9805 -64.9805 -36.0729 -36.0729 -33.3505 -33.3505 -21.1560 -21.1560 -21.1475 -21.1475 -12.6911 -12.6911 -12.0222 -12.0222 -12.0104 -12.0104 12.5059 12.5059 15.5847 15.5847 15.6244 15.6244 19.2485 19.2485 19.3598 19.3598 19.8495 19.8495 22.5977 22.5977 22.7536 22.7536 23.8530 23.8530 24.0976 24.0976 k = 0.0685 0.0685-0.0000 ( 2375 PWs) bands (ev): -64.9807 -64.9807 -36.0732 -36.0732 -33.3503 -33.3503 -21.1545 -21.1545 -21.1474 -21.1474 -12.6896 -12.6896 -12.0194 -12.0194 -12.0096 -12.0096 12.4633 12.4633 15.5622 15.5622 15.5946 15.5946 19.2631 19.2631 19.3600 19.3600 19.8385 19.8385 22.6219 22.6219 22.7534 22.7534 23.9548 23.9548 24.1833 24.1833 k = 0.0616 0.0616-0.0000 ( 2367 PWs) bands (ev): -64.9807 -64.9807 -36.0734 -36.0734 -33.3500 -33.3500 -21.1530 -21.1530 -21.1473 -21.1473 -12.6883 -12.6883 -12.0168 -12.0168 -12.0088 -12.0088 12.4246 12.4246 15.5416 15.5416 15.5676 15.5676 19.2761 19.2761 19.3583 19.3583 19.8301 19.8301 22.6446 22.6446 22.7532 22.7532 24.0514 24.0514 24.2612 24.2612 k = 0.0548 0.0548-0.0000 ( 2367 PWs) bands (ev): -64.9808 -64.9808 -36.0736 -36.0736 -33.3498 -33.3498 -21.1517 -21.1517 -21.1472 -21.1472 -12.6872 -12.6872 -12.0144 -12.0144 -12.0081 -12.0081 12.3897 12.3897 15.5231 15.5231 15.5434 15.5434 19.2877 19.2877 19.3552 19.3552 19.8238 19.8238 22.6658 22.6658 22.7530 22.7530 24.1418 24.1418 24.3297 24.3297 k = 0.0479 0.0479-0.0000 ( 2375 PWs) bands (ev): -64.9809 -64.9809 -36.0738 -36.0738 -33.3496 -33.3496 -21.1506 -21.1506 -21.1471 -21.1471 -12.6861 -12.6861 -12.0123 -12.0123 -12.0074 -12.0074 12.3588 12.3588 15.5066 15.5066 15.5220 15.5220 19.2977 19.2977 19.3512 19.3512 19.8194 19.8194 22.6850 22.6850 22.7528 22.7528 24.2249 24.2249 24.3873 24.3873 k = 0.0411 0.0411-0.0000 ( 2367 PWs) bands (ev): -64.9810 -64.9810 -36.0740 -36.0740 -33.3494 -33.3494 -21.1496 -21.1496 -21.1470 -21.1470 -12.6852 -12.6852 -12.0105 -12.0105 -12.0069 -12.0069 12.3319 12.3319 15.4922 15.4922 15.5034 15.5034 19.3063 19.3063 19.3467 19.3467 19.8164 19.8164 22.7022 22.7022 22.7526 22.7526 24.2996 24.2996 24.4328 24.4328 k = 0.0342 0.0342-0.0000 ( 2359 PWs) bands (ev): -64.9810 -64.9810 -36.0741 -36.0741 -33.3492 -33.3492 -21.1487 -21.1487 -21.1469 -21.1469 -12.6845 -12.6845 -12.0089 -12.0089 -12.0064 -12.0064 12.3091 12.3091 15.4800 15.4800 15.4877 15.4877 19.3135 19.3135 19.3422 19.3422 19.8145 19.8145 22.7171 22.7171 22.7525 22.7525 24.3648 24.3648 24.4664 24.4664 k = 0.0274 0.0274-0.0000 ( 2359 PWs) bands (ev): -64.9811 -64.9811 -36.0742 -36.0742 -33.3491 -33.3491 -21.1480 -21.1480 -21.1469 -21.1469 -12.6838 -12.6838 -12.0076 -12.0076 -12.0060 -12.0060 12.2904 12.2904 15.4699 15.4699 15.4748 15.4748 19.3193 19.3193 19.3380 19.3380 19.8134 19.8134 22.7295 22.7295 22.7524 22.7524 24.4196 24.4196 24.4896 24.4896 k = 0.0205 0.0205-0.0000 ( 2359 PWs) bands (ev): -64.9811 -64.9811 -36.0743 -36.0743 -33.3490 -33.3490 -21.1475 -21.1475 -21.1469 -21.1469 -12.6833 -12.6833 -12.0066 -12.0066 -12.0057 -12.0057 12.2758 12.2758 15.4620 15.4620 15.4648 15.4648 19.3238 19.3238 19.3345 19.3345 19.8129 19.8129 22.7394 22.7394 22.7523 22.7523 24.4631 24.4631 24.5046 24.5046 k = 0.0137 0.0137-0.0000 ( 2361 PWs) bands (ev): -64.9812 -64.9812 -36.0743 -36.0743 -33.3490 -33.3490 -21.1471 -21.1471 -21.1468 -21.1468 -12.6830 -12.6830 -12.0059 -12.0059 -12.0055 -12.0055 12.2654 12.2654 15.4564 15.4564 15.4576 15.4576 19.3269 19.3269 19.3317 19.3317 19.8126 19.8126 22.7465 22.7465 22.7522 22.7522 24.4947 24.4947 24.5138 24.5138 k = 0.0068 0.0068-0.0000 ( 2373 PWs) bands (ev): -64.9812 -64.9812 -36.0744 -36.0744 -33.3490 -33.3490 -21.1469 -21.1469 -21.1468 -21.1468 -12.6828 -12.6828 -12.0054 -12.0054 -12.0053 -12.0053 12.2591 12.2591 15.4530 15.4530 15.4533 15.4533 19.3288 19.3288 19.3300 19.3300 19.8125 19.8125 22.7508 22.7508 22.7522 22.7522 24.5138 24.5138 24.5187 24.5187 k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -64.9812 -64.9812 -36.0744 -36.0744 -33.3490 -33.3490 -21.1468 -21.1468 -21.1468 -21.1468 -12.6827 -12.6827 -12.0053 -12.0053 -12.0053 -12.0053 12.2570 12.2570 15.4519 15.4519 15.4519 15.4519 19.3295 19.3295 19.3295 19.3295 19.8125 19.8125 22.7522 22.7522 22.7522 22.7522 24.5203 24.5203 24.5203 24.5203 k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -64.9812 -64.9812 -36.0744 -36.0744 -33.3490 -33.3490 -21.1468 -21.1468 -21.1468 -21.1468 -12.6827 -12.6827 -12.0053 -12.0053 -12.0053 -12.0053 12.2570 12.2570 15.4519 15.4519 15.4519 15.4519 19.3295 19.3295 19.3295 19.3295 19.8125 19.8125 22.7522 22.7522 22.7522 22.7522 24.5203 24.5203 24.5203 24.5203 k = 0.0056 0.0056 0.0056 ( 2373 PWs) bands (ev): -64.9812 -64.9812 -36.0744 -36.0744 -33.3490 -33.3490 -21.1469 -21.1469 -21.1469 -21.1469 -12.6828 -12.6828 -12.0054 -12.0054 -12.0054 -12.0054 12.2591 12.2591 15.4532 15.4532 15.4532 15.4532 19.3288 19.3288 19.3301 19.3301 19.8125 19.8125 22.7513 22.7513 22.7516 22.7516 24.5135 24.5135 24.5190 24.5190 k = 0.0112 0.0112 0.0112 ( 2364 PWs) bands (ev): -64.9812 -64.9812 -36.0743 -36.0743 -33.3490 -33.3490 -21.1470 -21.1470 -21.1469 -21.1469 -12.6830 -12.6830 -12.0058 -12.0058 -12.0055 -12.0055 12.2655 12.2655 15.4570 15.4570 15.4571 15.4571 19.3267 19.3267 19.3320 19.3320 19.8126 19.8126 22.7488 22.7488 22.7498 22.7498 24.4931 24.4931 24.5150 24.5150 k = 0.0169 0.0169 0.0169 ( 2364 PWs) bands (ev): -64.9811 -64.9811 -36.0743 -36.0743 -33.3490 -33.3490 -21.1473 -21.1473 -21.1471 -21.1471 -12.6833 -12.6833 -12.0064 -12.0064 -12.0059 -12.0059 12.2760 12.2760 15.4634 15.4634 15.4637 15.4637 19.3232 19.3232 19.3349 19.3349 19.8129 19.8129 22.7446 22.7446 22.7469 22.7469 24.4584 24.4584 24.5085 24.5085 k = 0.0225 0.0225 0.0225 ( 2352 PWs) bands (ev): -64.9811 -64.9811 -36.0742 -36.0742 -33.3491 -33.3491 -21.1477 -21.1477 -21.1472 -21.1472 -12.6838 -12.6838 -12.0073 -12.0073 -12.0063 -12.0063 12.2907 12.2907 15.4723 15.4723 15.4728 15.4728 19.3183 19.3183 19.3387 19.3387 19.8136 19.8136 22.7389 22.7389 22.7430 22.7430 24.4090 24.4090 24.4995 24.4995 k = 0.0281 0.0281 0.0281 ( 2352 PWs) bands (ev): -64.9810 -64.9810 -36.0741 -36.0741 -33.3492 -33.3492 -21.1481 -21.1481 -21.1475 -21.1475 -12.6845 -12.6845 -12.0085 -12.0085 -12.0069 -12.0069 12.3096 12.3096 15.4837 15.4837 15.4845 15.4845 19.3120 19.3120 19.3430 19.3430 19.8150 19.8150 22.7316 22.7316 22.7379 22.7379 24.3446 24.3446 24.4880 24.4880 k = 0.0337 0.0337 0.0337 ( 2358 PWs) bands (ev): -64.9810 -64.9810 -36.0740 -36.0740 -33.3494 -33.3494 -21.1487 -21.1487 -21.1478 -21.1478 -12.6853 -12.6853 -12.0099 -12.0099 -12.0076 -12.0076 12.3326 12.3326 15.4976 15.4976 15.4989 15.4989 19.3042 19.3042 19.3474 19.3474 19.8173 19.8173 22.7229 22.7229 22.7320 22.7320 24.2660 24.2660 24.4740 24.4740 k = 0.0393 0.0393 0.0393 ( 2364 PWs) bands (ev): -64.9809 -64.9809 -36.0738 -36.0738 -33.3496 -33.3496 -21.1494 -21.1494 -21.1482 -21.1482 -12.6862 -12.6862 -12.0115 -12.0115 -12.0084 -12.0084 12.3598 12.3598 15.5141 15.5141 15.5157 15.5157 19.2950 19.2950 19.3514 19.3514 19.8210 19.8210 22.7130 22.7130 22.7252 22.7252 24.1741 24.1741 24.4577 24.4577 k = 0.0449 0.0449 0.0449 ( 2376 PWs) bands (ev): -64.9808 -64.9808 -36.0736 -36.0736 -33.3498 -33.3498 -21.1503 -21.1503 -21.1487 -21.1487 -12.6872 -12.6872 -12.0133 -12.0133 -12.0093 -12.0093 12.3909 12.3909 15.5330 15.5330 15.5351 15.5351 19.2843 19.2843 19.3543 19.3543 19.8266 19.8266 22.7019 22.7019 22.7177 22.7177 24.0705 24.0705 24.4392 24.4392 k = 0.0506 0.0506 0.0506 ( 2370 PWs) bands (ev): -64.9807 -64.9807 -36.0734 -36.0734 -33.3500 -33.3500 -21.1512 -21.1512 -21.1492 -21.1492 -12.6884 -12.6884 -12.0154 -12.0154 -12.0104 -12.0104 12.4261 12.4261 15.5543 15.5543 15.5570 15.5570 19.2721 19.2721 19.3556 19.3556 19.8344 19.8344 22.6897 22.6897 22.7096 22.7096 23.9568 23.9568 24.4186 24.4186 k = 0.0562 0.0562 0.0562 ( 2370 PWs) bands (ev): -64.9806 -64.9806 -36.0731 -36.0731 -33.3503 -33.3503 -21.1522 -21.1522 -21.1498 -21.1498 -12.6897 -12.6897 -12.0176 -12.0176 -12.0116 -12.0116 12.4653 12.4653 15.5781 15.5781 15.5814 15.5814 19.2584 19.2584 19.3545 19.3545 19.8450 19.8450 22.6768 22.6768 22.7010 22.7010 23.8347 23.8347 24.3959 24.3959 k = 0.0618 0.0618 0.0618 ( 2376 PWs) bands (ev): -64.9805 -64.9805 -36.0729 -36.0729 -33.3506 -33.3506 -21.1533 -21.1533 -21.1505 -21.1505 -12.6911 -12.6911 -12.0201 -12.0201 -12.0129 -12.0129 12.5084 12.5084 15.6042 15.6042 15.6081 15.6081 19.2431 19.2431 19.3507 19.3507 19.8586 19.8586 22.6632 22.6632 22.6920 22.6920 23.7057 23.7057 24.3714 24.3714 k = 0.0674 0.0674 0.0674 ( 2382 PWs) bands (ev): -64.9804 -64.9804 -36.0726 -36.0726 -33.3509 -33.3509 -21.1545 -21.1545 -21.1513 -21.1513 -12.6926 -12.6926 -12.0227 -12.0227 -12.0143 -12.0143 12.5552 12.5552 15.6328 15.6328 15.6373 15.6373 19.2262 19.2262 19.3435 19.3435 19.8752 19.8752 22.6491 22.6491 22.6828 22.6828 23.5716 23.5716 24.3451 24.3451 k = 0.0730 0.0730 0.0730 ( 2382 PWs) bands (ev): -64.9803 -64.9803 -36.0722 -36.0722 -33.3513 -33.3513 -21.1558 -21.1558 -21.1521 -21.1521 -12.6942 -12.6942 -12.0255 -12.0255 -12.0158 -12.0158 12.6059 12.6059 15.6636 15.6636 15.6689 15.6689 19.2078 19.2078 19.3329 19.3329 19.8948 19.8948 22.6347 22.6347 22.6734 22.6734 23.4339 23.4339 24.3172 24.3172 k = 0.0787 0.0787 0.0787 ( 2379 PWs) bands (ev): -64.9801 -64.9801 -36.0719 -36.0719 -33.3516 -33.3516 -21.1572 -21.1572 -21.1530 -21.1530 -12.6959 -12.6959 -12.0284 -12.0284 -12.0175 -12.0175 12.6603 12.6603 15.6967 15.6967 15.7027 15.7027 19.1877 19.1877 19.3186 19.3186 19.9171 19.9171 22.6203 22.6203 22.6637 22.6637 23.2944 23.2944 24.2878 24.2878 k = 0.0843 0.0843 0.0843 ( 2391 PWs) bands (ev): -64.9800 -64.9800 -36.0715 -36.0715 -33.3521 -33.3521 -21.1588 -21.1588 -21.1540 -21.1540 -12.6977 -12.6977 -12.0315 -12.0315 -12.0192 -12.0192 12.7182 12.7182 15.7321 15.7321 15.7388 15.7388 19.1661 19.1661 19.3007 19.3007 19.9413 19.9413 22.6059 22.6059 22.6537 22.6537 23.1548 23.1548 24.2570 24.2570 k = 0.0899 0.0899 0.0899 ( 2385 PWs) bands (ev): -64.9798 -64.9798 -36.0711 -36.0711 -33.3525 -33.3525 -21.1603 -21.1603 -21.1551 -21.1551 -12.6996 -12.6996 -12.0347 -12.0347 -12.0211 -12.0211 12.7797 12.7797 15.7696 15.7696 15.7771 15.7771 19.1428 19.1428 19.2792 19.2792 19.9666 19.9666 22.5918 22.5918 22.6427 22.6427 23.0174 23.0174 24.2250 24.2250 k = 0.0955 0.0955 0.0955 ( 2379 PWs) bands (ev): -64.9796 -64.9796 -36.0706 -36.0706 -33.3529 -33.3529 -21.1620 -21.1620 -21.1562 -21.1562 -12.7015 -12.7015 -12.0380 -12.0380 -12.0231 -12.0231 12.8447 12.8447 15.8093 15.8093 15.8176 15.8176 19.1180 19.1180 19.2545 19.2545 19.9921 19.9921 22.5781 22.5781 22.6290 22.6290 22.8861 22.8861 24.1920 24.1920 k = 0.1011 0.1011 0.1011 ( 2379 PWs) bands (ev): -64.9795 -64.9795 -36.0701 -36.0701 -33.3535 -33.3535 -21.1637 -21.1637 -21.1575 -21.1575 -12.7036 -12.7036 -12.0414 -12.0414 -12.0252 -12.0252 12.9130 12.9130 15.8511 15.8511 15.8601 15.8601 19.0915 19.0915 19.2265 19.2265 20.0162 20.0162 22.5651 22.5651 22.6054 22.6054 22.7697 22.7697 24.1580 24.1580 k = 0.1067 0.1067 0.1067 ( 2379 PWs) bands (ev): -64.9793 -64.9793 -36.0696 -36.0696 -33.3540 -33.3540 -21.1656 -21.1656 -21.1589 -21.1589 -12.7057 -12.7057 -12.0449 -12.0449 -12.0274 -12.0274 12.9846 12.9846 15.8949 15.8949 15.9046 15.9046 19.0635 19.0635 19.1956 19.1956 20.0376 20.0376 22.5504 22.5504 22.5528 22.5528 22.6920 22.6920 24.1233 24.1233 k = 0.1124 0.1124 0.1124 ( 2370 PWs) bands (ev): -64.9791 -64.9791 -36.0690 -36.0690 -33.3545 -33.3545 -21.1675 -21.1675 -21.1603 -21.1603 -12.7078 -12.7078 -12.0484 -12.0484 -12.0297 -12.0297 13.0593 13.0593 15.9406 15.9406 15.9510 15.9510 19.0340 19.0340 19.1620 19.1620 20.0543 20.0543 22.4590 22.4590 22.5415 22.5415 22.6604 22.6604 24.0878 24.0878 k = 0.1180 0.1180 0.1180 ( 2376 PWs) bands (ev): -64.9789 -64.9789 -36.0684 -36.0684 -33.3552 -33.3552 -21.1695 -21.1695 -21.1619 -21.1619 -12.7101 -12.7101 -12.0520 -12.0520 -12.0321 -12.0321 13.1371 13.1371 15.9883 15.9883 15.9992 15.9992 19.0030 19.0030 19.1257 19.1257 20.0643 20.0643 22.3611 22.3611 22.5312 22.5312 22.6474 22.6474 24.0518 24.0518 k = 0.1236 0.1236 0.1236 ( 2370 PWs) bands (ev): -64.9786 -64.9786 -36.0678 -36.0678 -33.3558 -33.3558 -21.1716 -21.1716 -21.1636 -21.1636 -12.7123 -12.7123 -12.0557 -12.0557 -12.0346 -12.0346 13.2178 13.2178 16.0378 16.0378 16.0493 16.0493 18.9706 18.9706 19.0871 19.0871 20.0653 20.0653 22.2717 22.2717 22.5222 22.5222 22.6408 22.6408 24.0155 24.0155 k = 0.1292 0.1292 0.1292 ( 2370 PWs) bands (ev): -64.9784 -64.9784 -36.0671 -36.0671 -33.3565 -33.3565 -21.1737 -21.1737 -21.1654 -21.1654 -12.7146 -12.7146 -12.0593 -12.0593 -12.0372 -12.0372 13.3014 13.3014 16.0890 16.0890 16.1010 16.1010 18.9369 18.9369 19.0463 19.0463 20.0551 20.0551 22.1966 22.1966 22.5144 22.5144 22.6373 22.6373 23.9779 23.9779 k = 0.1348 0.1348 0.1348 ( 2364 PWs) bands (ev): -64.9782 -64.9782 -36.0664 -36.0664 -33.3572 -33.3572 -21.1759 -21.1759 -21.1673 -21.1673 -12.7169 -12.7169 -12.0630 -12.0630 -12.0399 -12.0399 13.3878 13.3878 16.1419 16.1419 16.1542 16.1542 18.9020 18.9020 19.0034 19.0034 20.0319 20.0319 22.1391 22.1391 22.5080 22.5080 22.6359 22.6359 23.9291 23.9291 k = 0.1404 0.1404 0.1404 ( 2364 PWs) bands (ev): -64.9779 -64.9779 -36.0657 -36.0657 -33.3579 -33.3579 -21.1782 -21.1782 -21.1693 -21.1693 -12.7193 -12.7193 -12.0667 -12.0667 -12.0427 -12.0427 13.4768 13.4768 16.1965 16.1965 16.2089 16.2089 18.8659 18.8659 18.9586 18.9586 19.9943 19.9943 22.1010 22.1010 22.5031 22.5031 22.6363 22.6363 23.8806 23.8806 k = 0.1461 0.1461 0.1461 ( 2358 PWs) bands (ev): -64.9777 -64.9777 -36.0649 -36.0649 -33.3587 -33.3587 -21.1805 -21.1805 -21.1714 -21.1714 -12.7217 -12.7217 -12.0704 -12.0704 -12.0456 -12.0456 13.5683 13.5683 16.2525 16.2525 16.2650 16.2650 18.8288 18.8288 18.9121 18.9121 19.9420 19.9420 22.0832 22.0832 22.4997 22.4997 22.6381 22.6381 23.8326 23.8326 k = 0.1517 0.1517 0.1517 ( 2358 PWs) bands (ev): -64.9774 -64.9774 -36.0641 -36.0641 -33.3595 -33.3595 -21.1829 -21.1829 -21.1737 -21.1737 -12.7241 -12.7241 -12.0740 -12.0740 -12.0486 -12.0486 13.6623 13.6623 16.3100 16.3100 16.3223 16.3223 18.7908 18.7908 18.8639 18.8639 19.8756 19.8756 22.0854 22.0854 22.4978 22.4978 22.6415 22.6415 23.7851 23.7851 k = 0.1573 0.1573 0.1573 ( 2358 PWs) bands (ev): -64.9772 -64.9772 -36.0633 -36.0633 -33.3604 -33.3604 -21.1853 -21.1853 -21.1760 -21.1760 -12.7265 -12.7265 -12.0777 -12.0777 -12.0516 -12.0516 13.7585 13.7585 16.3687 16.3687 16.3807 16.3807 18.7520 18.7520 18.8142 18.8142 19.7966 19.7966 22.1065 22.1065 22.4975 22.4975 22.6462 22.6462 23.7383 23.7383 k = 0.1629 0.1629 0.1629 ( 2364 PWs) bands (ev): -64.9769 -64.9769 -36.0624 -36.0624 -33.3613 -33.3613 -21.1878 -21.1878 -21.1785 -21.1785 -12.7290 -12.7290 -12.0813 -12.0813 -12.0547 -12.0547 13.8569 13.8569 16.4288 16.4288 16.4401 16.4401 18.7127 18.7127 18.7631 18.7631 19.7070 19.7070 22.1446 22.1446 22.4987 22.4987 22.6523 22.6523 23.6924 23.6924 k = 0.1685 0.1685 0.1685 ( 2364 PWs) bands (ev): -64.9767 -64.9767 -36.0615 -36.0615 -33.3623 -33.3623 -21.1904 -21.1904 -21.1811 -21.1811 -12.7314 -12.7314 -12.0848 -12.0848 -12.0580 -12.0580 13.9574 13.9574 16.4899 16.4899 16.5002 16.5002 18.6729 18.6729 18.7107 18.7107 19.6089 19.6089 22.1975 22.1975 22.5015 22.5015 22.6599 22.6599 23.6475 23.6475 k = 0.1742 0.1742 0.1742 ( 2352 PWs) bands (ev): -64.9764 -64.9764 -36.0605 -36.0605 -33.3632 -33.3632 -21.1929 -21.1929 -21.1837 -21.1837 -12.7339 -12.7339 -12.0883 -12.0883 -12.0612 -12.0612 14.0599 14.0599 16.5521 16.5521 16.5610 16.5610 18.6329 18.6329 18.6569 18.6569 19.5047 19.5047 22.2632 22.2632 22.5059 22.5059 22.6690 22.6690 23.6039 23.6039 k = 0.1798 0.1798 0.1798 ( 2346 PWs) bands (ev): -64.9761 -64.9761 -36.0595 -36.0595 -33.3641 -33.3641 -21.1955 -21.1955 -21.1864 -21.1864 -12.7364 -12.7364 -12.0918 -12.0918 -12.0646 -12.0646 14.1642 14.1642 16.6151 16.6151 16.6223 16.6223 18.5928 18.5928 18.6020 18.6020 19.3962 19.3962 22.3393 22.3393 22.5117 22.5117 22.6802 22.6802 23.5616 23.5616 k = 0.1854 0.1854 0.1854 ( 2346 PWs) bands (ev): -64.9758 -64.9758 -36.0585 -36.0585 -33.3652 -33.3652 -21.1982 -21.1982 -21.1893 -21.1893 -12.7388 -12.7388 -12.0952 -12.0952 -12.0680 -12.0680 14.2702 14.2702 16.6790 16.6790 16.6838 16.6838 18.5458 18.5458 18.5530 18.5530 19.2854 19.2854 22.4227 22.4227 22.5189 22.5189 22.6946 22.6946 23.5208 23.5208 k = 0.1910 0.1910 0.1910 ( 2349 PWs) bands (ev): -64.9755 -64.9755 -36.0574 -36.0574 -33.3663 -33.3663 -21.2009 -21.2009 -21.1922 -21.1922 -12.7413 -12.7413 -12.0985 -12.0985 -12.0715 -12.0715 14.3778 14.3778 16.7434 16.7434 16.7453 16.7453 18.4884 18.4884 18.5135 18.5135 19.1738 19.1738 22.5088 22.5088 22.5275 22.5275 22.7156 22.7156 23.4819 23.4819 k = 0.1966 0.1966 0.1966 ( 2349 PWs) bands (ev): -64.9752 -64.9752 -36.0563 -36.0563 -33.3673 -33.3673 -21.2036 -21.2036 -21.1952 -21.1952 -12.7438 -12.7438 -12.1018 -12.1018 -12.0750 -12.0750 14.4868 14.4868 16.8066 16.8066 16.8084 16.8084 18.4297 18.4297 18.4748 18.4748 19.0629 19.0629 22.5374 22.5374 22.5867 22.5867 22.7525 22.7525 23.4450 23.4450 k = 0.2022 0.2022 0.2022 ( 2349 PWs) bands (ev): -64.9749 -64.9749 -36.0552 -36.0552 -33.3685 -33.3685 -21.2063 -21.2063 -21.1983 -21.1983 -12.7463 -12.7463 -12.1050 -12.1050 -12.0786 -12.0786 14.5972 14.5972 16.8673 16.8673 16.8737 16.8737 18.3695 18.3695 18.4370 18.4370 18.9539 18.9539 22.5483 22.5483 22.6401 22.6401 22.8205 22.8205 23.4104 23.4104 k = 0.2079 0.2079 0.2079 ( 2349 PWs) bands (ev): -64.9746 -64.9746 -36.0541 -36.0541 -33.3696 -33.3696 -21.2091 -21.2091 -21.2014 -21.2014 -12.7489 -12.7489 -12.1082 -12.1082 -12.0823 -12.0823 14.7089 14.7089 16.9272 16.9272 16.9390 16.9390 18.3079 18.3079 18.4006 18.4006 18.8480 18.8480 22.5603 22.5603 22.6691 22.6691 22.9185 22.9185 23.3784 23.3784 k = 0.2135 0.2135 0.2135 ( 2355 PWs) bands (ev): -64.9743 -64.9743 -36.0529 -36.0529 -33.3708 -33.3708 -21.2119 -21.2119 -21.2047 -21.2047 -12.7514 -12.7514 -12.1113 -12.1113 -12.0860 -12.0860 14.8215 14.8215 16.9858 16.9858 17.0043 17.0043 18.2447 18.2447 18.3660 18.3660 18.7461 18.7461 22.5732 22.5732 22.6859 22.6859 23.0331 23.0331 23.3495 23.3495 k = 0.2191 0.2191 0.2191 ( 2349 PWs) bands (ev): -64.9740 -64.9740 -36.0517 -36.0517 -33.3719 -33.3719 -21.2147 -21.2147 -21.2079 -21.2079 -12.7539 -12.7539 -12.1143 -12.1143 -12.0897 -12.0897 14.9351 14.9351 17.0427 17.0427 17.0692 17.0692 18.1800 18.1800 18.3335 18.3335 18.6492 18.6492 22.5867 22.5867 22.6968 22.6968 23.1570 23.1570 23.3241 23.3241 k = 0.2247 0.2247 0.2247 ( 2349 PWs) bands (ev): -64.9737 -64.9737 -36.0505 -36.0505 -33.3731 -33.3731 -21.2175 -21.2175 -21.2112 -21.2112 -12.7565 -12.7565 -12.1173 -12.1173 -12.0935 -12.0935 15.0495 15.0495 17.0973 17.0973 17.1333 17.1333 18.1139 18.1139 18.3038 18.3038 18.5577 18.5577 22.6008 22.6008 22.7039 22.7039 23.2806 23.2806 23.3091 23.3091 k = 0.2303 0.2303 0.2303 ( 2358 PWs) bands (ev): -64.9734 -64.9734 -36.0493 -36.0493 -33.3744 -33.3744 -21.2203 -21.2203 -21.2146 -21.2146 -12.7591 -12.7591 -12.1202 -12.1202 -12.0973 -12.0973 15.1645 15.1645 17.1491 17.1491 17.1961 17.1961 18.0471 18.0471 18.2774 18.2774 18.4723 18.4723 22.6150 22.6150 22.7078 22.7078 23.2816 23.2816 23.3942 23.3942 k = 0.2360 0.2360 0.2360 ( 2359 PWs) bands (ev): -64.9731 -64.9731 -36.0480 -36.0480 -33.3756 -33.3756 -21.2231 -21.2231 -21.2180 -21.2180 -12.7617 -12.7617 -12.1231 -12.1231 -12.1011 -12.1011 15.2800 15.2800 17.1973 17.1973 17.2568 17.2568 17.9805 17.9805 18.2551 18.2551 18.3929 18.3929 22.6293 22.6293 22.7088 22.7088 23.2684 23.2684 23.3731 23.3731 k = 0.2416 0.2416 0.2416 ( 2359 PWs) bands (ev): -64.9728 -64.9728 -36.0467 -36.0467 -33.3769 -33.3769 -21.2259 -21.2259 -21.2214 -21.2214 -12.7643 -12.7643 -12.1260 -12.1260 -12.1050 -12.1050 15.3957 15.3957 17.2411 17.2411 17.3138 17.3138 17.9162 17.9162 18.2375 18.2375 18.3194 18.3194 22.6433 22.6433 22.7068 22.7068 23.2592 23.2592 23.3542 23.3542 k = 0.2472 0.2472 0.2472 ( 2359 PWs) bands (ev): -64.9725 -64.9725 -36.0455 -36.0455 -33.3781 -33.3781 -21.2287 -21.2287 -21.2248 -21.2248 -12.7670 -12.7670 -12.1287 -12.1287 -12.1089 -12.1089 15.5114 15.5114 17.2797 17.2797 17.3649 17.3649 17.8572 17.8572 18.2255 18.2255 18.2515 18.2515 22.6567 22.6567 22.7019 22.7019 23.2543 23.2543 23.3377 23.3377 k = 0.2528 0.2528 0.2528 ( 2356 PWs) bands (ev): -64.9722 -64.9722 -36.0442 -36.0442 -33.3794 -33.3794 -21.2315 -21.2315 -21.2282 -21.2282 -12.7696 -12.7696 -12.1315 -12.1315 -12.1128 -12.1128 15.6269 15.6269 17.3124 17.3124 17.4054 17.4054 17.8088 17.8088 18.1887 18.1887 18.2199 18.2199 22.6691 22.6691 22.6942 22.6942 23.2538 23.2538 23.3239 23.3239 k = 0.2584 0.2584 0.2584 ( 2356 PWs) bands (ev): -64.9719 -64.9719 -36.0429 -36.0429 -33.3807 -33.3807 -21.2343 -21.2343 -21.2316 -21.2316 -12.7723 -12.7723 -12.1342 -12.1342 -12.1168 -12.1168 15.7420 15.7420 17.3385 17.3385 17.4281 17.4281 17.7789 17.7789 18.1305 18.1305 18.2211 18.2211 22.6803 22.6803 22.6840 22.6840 23.2574 23.2574 23.3131 23.3131 k = 0.2640 0.2640 0.2640 ( 2356 PWs) bands (ev): -64.9716 -64.9716 -36.0416 -36.0416 -33.3819 -33.3819 -21.2371 -21.2371 -21.2350 -21.2350 -12.7751 -12.7751 -12.1369 -12.1369 -12.1207 -12.1207 15.8562 15.8562 17.3576 17.3576 17.4267 17.4267 17.7744 17.7744 18.0769 18.0769 18.2296 18.2296 22.6717 22.6717 22.6898 22.6898 23.2647 23.2647 23.3055 23.3055 k = 0.2697 0.2697 0.2697 ( 2350 PWs) bands (ev): -64.9712 -64.9712 -36.0403 -36.0403 -33.3832 -33.3832 -21.2398 -21.2398 -21.2383 -21.2383 -12.7779 -12.7779 -12.1396 -12.1396 -12.1246 -12.1246 15.9691 15.9691 17.3699 17.3699 17.4031 17.4031 17.7935 17.7935 18.0281 18.0281 18.2453 18.2453 22.6576 22.6576 22.6973 22.6973 23.2753 23.2753 23.3012 23.3012 k = 0.2753 0.2753 0.2753 ( 2356 PWs) bands (ev): -64.9709 -64.9709 -36.0389 -36.0389 -33.3845 -33.3845 -21.2426 -21.2426 -21.2417 -21.2417 -12.7807 -12.7807 -12.1423 -12.1423 -12.1286 -12.1286 16.0801 16.0801 17.3665 17.3665 17.3757 17.3757 17.8254 17.8254 17.9861 17.9861 18.2678 18.2678 22.6421 22.6421 22.7027 22.7027 23.2887 23.2887 23.3005 23.3005 k = 0.2809 0.2809 0.2809 ( 2356 PWs) bands (ev): -64.9706 -64.9706 -36.0376 -36.0376 -33.3857 -33.3857 -21.2453 -21.2453 -21.2450 -21.2450 -12.7835 -12.7835 -12.1449 -12.1449 -12.1325 -12.1325 16.1884 16.1884 17.3255 17.3255 17.3755 17.3755 17.8528 17.8528 17.9603 17.9603 18.2963 18.2963 22.6256 22.6256 22.7057 22.7057 23.3034 23.3034 23.3045 23.3045 k = 0.2865 0.2865 0.2865 ( 2356 PWs) bands (ev): -64.9703 -64.9703 -36.0363 -36.0363 -33.3870 -33.3870 -21.2482 -21.2482 -21.2480 -21.2480 -12.7864 -12.7864 -12.1476 -12.1476 -12.1365 -12.1365 16.2928 16.2928 17.2857 17.2857 17.3704 17.3704 17.8492 17.8492 17.9726 17.9726 18.3300 18.3300 22.6085 22.6085 22.7062 22.7062 23.3097 23.3097 23.3224 23.3224 k = 0.2921 0.2921 0.2921 ( 2359 PWs) bands (ev): -64.9700 -64.9700 -36.0350 -36.0350 -33.3882 -33.3882 -21.2514 -21.2514 -21.2506 -21.2506 -12.7893 -12.7893 -12.1503 -12.1503 -12.1404 -12.1404 16.3917 16.3917 17.2514 17.2514 17.3611 17.3611 17.8209 17.8209 18.0141 18.0141 18.3679 18.3679 22.5909 22.5909 22.7044 22.7044 23.3195 23.3195 23.3419 23.3419 k = 0.2978 0.2978 0.2978 ( 2353 PWs) bands (ev): -64.9697 -64.9697 -36.0337 -36.0337 -33.3895 -33.3895 -21.2545 -21.2545 -21.2532 -21.2532 -12.7922 -12.7922 -12.1529 -12.1529 -12.1443 -12.1443 16.4826 16.4826 17.2260 17.2260 17.3486 17.3486 17.7867 17.7867 18.0646 18.0646 18.4091 18.4091 22.5732 22.5732 22.7002 22.7002 23.3323 23.3323 23.3627 23.3627 k = 0.3034 0.3034 0.3034 ( 2359 PWs) bands (ev): -64.9695 -64.9695 -36.0325 -36.0325 -33.3907 -33.3907 -21.2576 -21.2576 -21.2558 -21.2558 -12.7952 -12.7952 -12.1556 -12.1556 -12.1481 -12.1481 16.5620 16.5620 17.2137 17.2137 17.3336 17.3336 17.7523 17.7523 18.1178 18.1178 18.4528 18.4528 22.5555 22.5555 22.6939 22.6939 23.3480 23.3480 23.3846 23.3846 k = 0.3090 0.3090 0.3090 ( 2365 PWs) bands (ev): -64.9692 -64.9692 -36.0312 -36.0312 -33.3919 -33.3919 -21.2606 -21.2606 -21.2583 -21.2583 -12.7982 -12.7982 -12.1583 -12.1583 -12.1520 -12.1520 16.6259 16.6259 17.2188 17.2188 17.3169 17.3169 17.7190 17.7190 18.1717 18.1717 18.4982 18.4982 22.5380 22.5380 22.6857 22.6857 23.3661 23.3661 23.4073 23.4073 k = 0.3146 0.3146 0.3146 ( 2359 PWs) bands (ev): -64.9689 -64.9689 -36.0300 -36.0300 -33.3931 -33.3931 -21.2635 -21.2635 -21.2608 -21.2608 -12.8012 -12.8012 -12.1610 -12.1610 -12.1558 -12.1558 16.6711 16.6711 17.2442 17.2442 17.2989 17.2989 17.6874 17.6874 18.2256 18.2256 18.5449 18.5449 22.5208 22.5208 22.6758 22.6758 23.3863 23.3863 23.4307 23.4307 k = 0.3202 0.3202 0.3202 ( 2359 PWs) bands (ev): -64.9686 -64.9686 -36.0287 -36.0287 -33.3942 -33.3942 -21.2663 -21.2663 -21.2632 -21.2632 -12.8042 -12.8042 -12.1637 -12.1637 -12.1595 -12.1595 16.6979 16.6979 17.2802 17.2802 17.2895 17.2895 17.6580 17.6580 18.2791 18.2791 18.5922 18.5922 22.5040 22.5040 22.6644 22.6644 23.4081 23.4081 23.4545 23.4545 k = 0.3258 0.3258 0.3258 ( 2365 PWs) bands (ev): -64.9683 -64.9683 -36.0275 -36.0275 -33.3954 -33.3954 -21.2690 -21.2690 -21.2656 -21.2656 -12.8073 -12.8073 -12.1665 -12.1665 -12.1632 -12.1632 16.7099 16.7099 17.2610 17.2610 17.3502 17.3502 17.6317 17.6317 18.3320 18.3320 18.6398 18.6398 22.4876 22.4876 22.6518 22.6518 23.4314 23.4314 23.4786 23.4786 k = 0.3315 0.3315 0.3315 ( 2365 PWs) bands (ev): -64.9681 -64.9681 -36.0263 -36.0263 -33.3965 -33.3965 -21.2716 -21.2716 -21.2680 -21.2680 -12.8104 -12.8104 -12.1692 -12.1692 -12.1669 -12.1669 16.7122 16.7122 17.2417 17.2417 17.4184 17.4184 17.6107 17.6107 18.3842 18.3842 18.6873 18.6873 22.4718 22.4718 22.6381 22.6381 23.4557 23.4557 23.5028 23.5028 k = 0.3371 0.3371 0.3371 ( 2365 PWs) bands (ev): -64.9678 -64.9678 -36.0252 -36.0252 -33.3976 -33.3976 -21.2742 -21.2742 -21.2703 -21.2703 -12.8135 -12.8135 -12.1720 -12.1720 -12.1705 -12.1705 16.7092 16.7092 17.2225 17.2225 17.4804 17.4804 17.6044 17.6044 18.4356 18.4356 18.7346 18.7346 22.4564 22.4564 22.6236 22.6236 23.4807 23.4807 23.5270 23.5270 k = 0.3427 0.3427 0.3427 ( 2362 PWs) bands (ev): -64.9675 -64.9675 -36.0241 -36.0241 -33.3986 -33.3986 -21.2765 -21.2765 -21.2725 -21.2725 -12.8166 -12.8166 -12.1748 -12.1748 -12.1741 -12.1741 16.7040 16.7040 17.2035 17.2035 17.5067 17.5067 17.6386 17.6386 18.4864 18.4864 18.7813 18.7813 22.4416 22.4416 22.6082 22.6082 23.5063 23.5063 23.5511 23.5511 k = 0.3483 0.3483 0.3483 ( 2362 PWs) bands (ev): -64.9673 -64.9673 -36.0230 -36.0230 -33.3997 -33.3997 -21.2789 -21.2789 -21.2747 -21.2747 -12.8197 -12.8197 -12.1776 -12.1776 -12.1775 -12.1775 16.6985 16.6985 17.1849 17.1849 17.5001 17.5001 17.7082 17.7082 18.5366 18.5366 18.8273 18.8273 22.4274 22.4274 22.5923 22.5923 23.5321 23.5321 23.5749 23.5749 k = 0.3539 0.3539 0.3539 ( 2368 PWs) bands (ev): -64.9670 -64.9670 -36.0219 -36.0219 -33.4007 -33.4007 -21.2811 -21.2811 -21.2768 -21.2768 -12.8228 -12.8228 -12.1809 -12.1809 -12.1804 -12.1804 16.6940 16.6940 17.1669 17.1669 17.4845 17.4845 17.7876 17.7876 18.5862 18.5862 18.8724 18.8724 22.4138 22.4138 22.5758 22.5758 23.5579 23.5579 23.5985 23.5985 k = 0.3596 0.3596 0.3596 ( 2368 PWs) bands (ev): -64.9668 -64.9668 -36.0208 -36.0208 -33.4016 -33.4016 -21.2832 -21.2832 -21.2788 -21.2788 -12.8259 -12.8259 -12.1843 -12.1843 -12.1833 -12.1833 16.6910 16.6910 17.1495 17.1495 17.4675 17.4675 17.8681 17.8681 18.6355 18.6355 18.9166 18.9166 22.4007 22.4007 22.5589 22.5589 23.5835 23.5835 23.6216 23.6216 k = 0.3652 0.3652 0.3652 ( 2368 PWs) bands (ev): -64.9666 -64.9666 -36.0198 -36.0198 -33.4026 -33.4026 -21.2852 -21.2852 -21.2808 -21.2808 -12.8289 -12.8289 -12.1875 -12.1875 -12.1861 -12.1861 16.6902 16.6902 17.1328 17.1328 17.4507 17.4507 17.9469 17.9469 18.6847 18.6847 18.9597 18.9597 22.3882 22.3882 22.5416 22.5416 23.6089 23.6089 23.6442 23.6442 k = 0.3708 0.3708 0.3708 ( 2368 PWs) bands (ev): -64.9663 -64.9663 -36.0189 -36.0189 -33.4034 -33.4034 -21.2871 -21.2871 -21.2827 -21.2827 -12.8319 -12.8319 -12.1907 -12.1907 -12.1889 -12.1889 16.6916 16.6916 17.1168 17.1168 17.4348 17.4348 18.0227 18.0227 18.7338 18.7338 19.0015 19.0015 22.3763 22.3763 22.5241 22.5241 23.6337 23.6337 23.6663 23.6663 k = 0.3764 0.3764 0.3764 ( 2368 PWs) bands (ev): -64.9661 -64.9661 -36.0179 -36.0179 -33.4043 -33.4043 -21.2888 -21.2888 -21.2846 -21.2846 -12.8349 -12.8349 -12.1937 -12.1937 -12.1917 -12.1917 16.6953 16.6953 17.1015 17.1015 17.4200 17.4200 18.0946 18.0946 18.7830 18.7830 19.0422 19.0422 22.3649 22.3649 22.5064 22.5064 23.6580 23.6580 23.6878 23.6878 k = 0.3820 0.3820 0.3820 ( 2368 PWs) bands (ev): -64.9659 -64.9659 -36.0170 -36.0170 -33.4051 -33.4051 -21.2905 -21.2905 -21.2863 -21.2863 -12.8379 -12.8379 -12.1967 -12.1967 -12.1944 -12.1944 16.7013 16.7013 17.0870 17.0870 17.4065 17.4065 18.1620 18.1620 18.8323 18.8323 19.0815 19.0815 22.3540 22.3540 22.4885 22.4885 23.6815 23.6815 23.7085 23.7085 k = 0.3876 0.3876 0.3876 ( 2365 PWs) bands (ev): -64.9657 -64.9657 -36.0162 -36.0162 -33.4059 -33.4059 -21.2920 -21.2920 -21.2880 -21.2880 -12.8408 -12.8408 -12.1996 -12.1996 -12.1972 -12.1972 16.7096 16.7096 17.0733 17.0733 17.3943 17.3943 18.2245 18.2245 18.8820 18.8820 19.1194 19.1194 22.3436 22.3436 22.4707 22.4707 23.7042 23.7042 23.7286 23.7286 k = 0.3933 0.3933 0.3933 ( 2371 PWs) bands (ev): -64.9655 -64.9655 -36.0154 -36.0154 -33.4067 -33.4067 -21.2935 -21.2935 -21.2897 -21.2897 -12.8436 -12.8436 -12.2023 -12.2023 -12.1998 -12.1998 16.7198 16.7198 17.0604 17.0604 17.3833 17.3833 18.2818 18.2818 18.9317 18.9317 19.1559 19.1559 22.3338 22.3338 22.4529 22.4529 23.7261 23.7261 23.7478 23.7478 k = 0.3989 0.3989 0.3989 ( 2365 PWs) bands (ev): -64.9653 -64.9653 -36.0146 -36.0146 -33.4073 -33.4073 -21.2948 -21.2948 -21.2912 -21.2912 -12.8464 -12.8464 -12.2050 -12.2050 -12.2025 -12.2025 16.7320 16.7320 17.0483 17.0483 17.3737 17.3737 18.3339 18.3339 18.9814 18.9814 19.1909 19.1909 22.3244 22.3244 22.4352 22.4352 23.7470 23.7470 23.7661 23.7661 k = 0.4045 0.4045 0.4045 ( 2365 PWs) bands (ev): -64.9652 -64.9652 -36.0138 -36.0138 -33.4080 -33.4080 -21.2961 -21.2961 -21.2927 -21.2927 -12.8490 -12.8490 -12.2075 -12.2075 -12.2050 -12.2050 16.7457 16.7457 17.0370 17.0370 17.3654 17.3654 18.3808 18.3808 19.0309 19.0309 19.2243 19.2243 22.3155 22.3155 22.4176 22.4176 23.7668 23.7668 23.7836 23.7836 k = 0.4101 0.4101 0.4101 ( 2365 PWs) bands (ev): -64.9650 -64.9650 -36.0131 -36.0131 -33.4086 -33.4086 -21.2972 -21.2972 -21.2941 -21.2941 -12.8516 -12.8516 -12.2099 -12.2099 -12.2075 -12.2075 16.7608 16.7608 17.0265 17.0265 17.3583 17.3583 18.4228 18.4228 19.0797 19.0797 19.2562 19.2562 22.3070 22.3070 22.4004 22.4004 23.7856 23.7856 23.8002 23.8002 k = 0.4157 0.4157 0.4157 ( 2362 PWs) bands (ev): -64.9648 -64.9648 -36.0125 -36.0125 -33.4092 -33.4092 -21.2983 -21.2983 -21.2954 -21.2954 -12.8541 -12.8541 -12.2122 -12.2122 -12.2099 -12.2099 16.7769 16.7769 17.0167 17.0167 17.3525 17.3525 18.4601 18.4601 19.1275 19.1275 19.2865 19.2865 22.2991 22.2991 22.3836 22.3836 23.8033 23.8033 23.8159 23.8159 k = 0.4213 0.4213 0.4213 ( 2359 PWs) bands (ev): -64.9647 -64.9647 -36.0119 -36.0119 -33.4097 -33.4097 -21.2992 -21.2992 -21.2966 -21.2966 -12.8565 -12.8565 -12.2143 -12.2143 -12.2122 -12.2122 16.7938 16.7938 17.0078 17.0078 17.3479 17.3479 18.4929 18.4929 19.1738 19.1738 19.3152 19.3152 22.2916 22.2916 22.3672 22.3672 23.8198 23.8198 23.8306 23.8306 k = 0.4270 0.4270 0.4270 ( 2359 PWs) bands (ev): -64.9645 -64.9645 -36.0113 -36.0113 -33.4102 -33.4102 -21.3001 -21.3001 -21.2978 -21.2978 -12.8588 -12.8588 -12.2164 -12.2164 -12.2144 -12.2144 16.8111 16.8111 16.9995 16.9995 17.3445 17.3445 18.5218 18.5218 19.2183 19.2183 19.3421 19.3421 22.2845 22.2845 22.3514 22.3514 23.8352 23.8352 23.8443 23.8443 k = 0.4326 0.4326 0.4326 ( 2359 PWs) bands (ev): -64.9644 -64.9644 -36.0108 -36.0108 -33.4107 -33.4107 -21.3009 -21.3009 -21.2989 -21.2989 -12.8609 -12.8609 -12.2183 -12.2183 -12.2165 -12.2165 16.8284 16.8284 16.9919 16.9919 17.3422 17.3422 18.5469 18.5469 19.2605 19.2605 19.3672 19.3672 22.2779 22.2779 22.3362 22.3362 23.8495 23.8495 23.8570 23.8570 k = 0.4382 0.4382 0.4382 ( 2347 PWs) bands (ev): -64.9643 -64.9643 -36.0103 -36.0103 -33.4111 -33.4111 -21.3016 -21.3016 -21.2998 -21.2998 -12.8629 -12.8629 -12.2200 -12.2200 -12.2185 -12.2185 16.8455 16.8455 16.9851 16.9851 17.3410 17.3410 18.5687 18.5687 19.3002 19.3002 19.3906 19.3906 22.2717 22.2717 22.3218 22.3218 23.8625 23.8625 23.8688 23.8688 k = 0.4438 0.4438 0.4438 ( 2347 PWs) bands (ev): -64.9642 -64.9642 -36.0098 -36.0098 -33.4115 -33.4115 -21.3022 -21.3022 -21.3007 -21.3007 -12.8648 -12.8648 -12.2216 -12.2216 -12.2203 -12.2203 16.8621 16.8621 16.9789 16.9789 17.3408 17.3408 18.5875 18.5875 19.3370 19.3370 19.4121 19.4121 22.2660 22.2660 22.3082 22.3082 23.8744 23.8744 23.8795 23.8795 k = 0.4494 0.4494 0.4494 ( 2353 PWs) bands (ev): -64.9641 -64.9641 -36.0094 -36.0094 -33.4119 -33.4119 -21.3028 -21.3028 -21.3015 -21.3015 -12.8665 -12.8665 -12.2231 -12.2231 -12.2220 -12.2220 16.8778 16.8778 16.9734 16.9734 17.3415 17.3415 18.6036 18.6036 19.3708 19.3708 19.4318 19.4318 22.2608 22.2608 22.2956 22.2956 23.8852 23.8852 23.8892 23.8892 k = 0.4551 0.4551 0.4551 ( 2353 PWs) bands (ev): -64.9640 -64.9640 -36.0090 -36.0090 -33.4122 -33.4122 -21.3033 -21.3033 -21.3023 -21.3023 -12.8680 -12.8680 -12.2244 -12.2244 -12.2235 -12.2235 16.8923 16.8923 16.9685 16.9685 17.3428 17.3428 18.6172 18.6172 19.4013 19.4013 19.4495 19.4495 22.2561 22.2561 22.2840 22.2840 23.8948 23.8948 23.8979 23.8979 k = 0.4607 0.4607 0.4607 ( 2353 PWs) bands (ev): -64.9639 -64.9639 -36.0087 -36.0087 -33.4125 -33.4125 -21.3038 -21.3038 -21.3029 -21.3029 -12.8694 -12.8694 -12.2256 -12.2256 -12.2248 -12.2248 16.9056 16.9056 16.9643 16.9643 17.3447 17.3447 18.6286 18.6286 19.4284 19.4284 19.4653 19.4653 22.2519 22.2519 22.2735 22.2735 23.9032 23.9032 23.9055 23.9055 k = 0.4663 0.4663 0.4663 ( 2347 PWs) bands (ev): -64.9638 -64.9638 -36.0085 -36.0085 -33.4127 -33.4127 -21.3041 -21.3041 -21.3035 -21.3035 -12.8706 -12.8706 -12.2266 -12.2266 -12.2260 -12.2260 16.9173 16.9173 16.9606 16.9606 17.3470 17.3470 18.6380 18.6380 19.4520 19.4520 19.4790 19.4790 22.2482 22.2482 22.2642 22.2642 23.9105 23.9105 23.9121 23.9121 k = 0.4719 0.4719 0.4719 ( 2341 PWs) bands (ev): -64.9638 -64.9638 -36.0082 -36.0082 -33.4129 -33.4129 -21.3044 -21.3044 -21.3040 -21.3040 -12.8716 -12.8716 -12.2275 -12.2275 -12.2271 -12.2271 16.9274 16.9274 16.9576 16.9576 17.3494 17.3494 18.6457 18.6457 19.4720 19.4720 19.4907 19.4907 22.2450 22.2450 22.2563 22.2563 23.9166 23.9166 23.9178 23.9178 k = 0.4775 0.4775 0.4775 ( 2329 PWs) bands (ev): -64.9637 -64.9637 -36.0080 -36.0080 -33.4130 -33.4130 -21.3046 -21.3046 -21.3043 -21.3043 -12.8725 -12.8725 -12.2282 -12.2282 -12.2279 -12.2279 16.9357 16.9357 16.9551 16.9551 17.3518 17.3518 18.6517 18.6517 19.4884 19.4884 19.5003 19.5003 22.2424 22.2424 22.2497 22.2497 23.9216 23.9216 23.9223 23.9223 k = 0.4831 0.4831 0.4831 ( 2320 PWs) bands (ev): -64.9637 -64.9637 -36.0079 -36.0079 -33.4131 -33.4131 -21.3048 -21.3048 -21.3046 -21.3046 -12.8732 -12.8732 -12.2287 -12.2287 -12.2286 -12.2286 16.9423 16.9423 16.9532 16.9532 17.3538 17.3538 18.6562 18.6562 19.5011 19.5011 19.5079 19.5079 22.2403 22.2403 22.2444 22.2444 23.9255 23.9255 23.9259 23.9259 k = 0.4888 0.4888 0.4888 ( 2320 PWs) bands (ev): -64.9636 -64.9636 -36.0078 -36.0078 -33.4131 -33.4131 -21.3049 -21.3049 -21.3049 -21.3049 -12.8736 -12.8736 -12.2291 -12.2291 -12.2290 -12.2290 16.9470 16.9470 16.9518 16.9518 17.3555 17.3555 18.6594 18.6594 19.5103 19.5103 19.5132 19.5132 22.2388 22.2388 22.2407 22.2407 23.9283 23.9283 23.9285 23.9285 k = 0.4944 0.4944 0.4944 ( 2320 PWs) bands (ev): -64.9636 -64.9636 -36.0077 -36.0077 -33.4132 -33.4132 -21.3050 -21.3050 -21.3050 -21.3050 -12.8739 -12.8739 -12.2294 -12.2294 -12.2293 -12.2293 16.9498 16.9498 16.9510 16.9510 17.3565 17.3565 18.6613 18.6613 19.5157 19.5157 19.5165 19.5165 22.2380 22.2380 22.2384 22.2384 23.9299 23.9299 23.9300 23.9300 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -64.9636 -64.9636 -36.0077 -36.0077 -33.4132 -33.4132 -21.3050 -21.3050 -21.3050 -21.3050 -12.8740 -12.8740 -12.2294 -12.2294 -12.2294 -12.2294 16.9507 16.9507 16.9507 16.9507 17.3569 17.3569 18.6619 18.6619 19.5176 19.5176 19.5176 19.5176 22.2377 22.2377 22.2377 22.2377 23.9305 23.9305 23.9305 23.9305 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -64.9636 -64.9636 -36.0077 -36.0077 -33.4132 -33.4132 -21.3050 -21.3050 -21.3050 -21.3050 -12.8740 -12.8740 -12.2294 -12.2294 -12.2294 -12.2294 16.9507 16.9507 16.9507 16.9507 17.3569 17.3569 18.6619 18.6619 19.5176 19.5176 19.5176 19.5176 22.2377 22.2377 22.2377 22.2377 23.9305 23.9305 23.9305 23.9305 k = 0.4932 0.5000 0.4932 ( 2320 PWs) bands (ev): -64.9636 -64.9636 -36.0077 -36.0077 -33.4132 -33.4132 -21.3050 -21.3050 -21.3050 -21.3050 -12.8739 -12.8739 -12.2294 -12.2294 -12.2293 -12.2293 16.9498 16.9498 16.9510 16.9510 17.3565 17.3565 18.6613 18.6613 19.5146 19.5146 19.5177 19.5177 22.2378 22.2378 22.2386 22.2386 23.9297 23.9297 23.9302 23.9302 k = 0.4863 0.5000 0.4863 ( 2320 PWs) bands (ev): -64.9636 -64.9636 -36.0078 -36.0078 -33.4131 -33.4131 -21.3050 -21.3050 -21.3047 -21.3047 -12.8736 -12.8736 -12.2292 -12.2292 -12.2289 -12.2289 16.9469 16.9469 16.9518 16.9518 17.3555 17.3555 18.6594 18.6594 19.5057 19.5057 19.5180 19.5180 22.2381 22.2381 22.2413 22.2413 23.9275 23.9275 23.9293 23.9293 k = 0.4795 0.5000 0.4795 ( 2320 PWs) bands (ev): -64.9637 -64.9637 -36.0079 -36.0079 -33.4131 -33.4131 -21.3051 -21.3051 -21.3044 -21.3044 -12.8732 -12.8732 -12.2290 -12.2290 -12.2283 -12.2283 16.9422 16.9422 16.9532 16.9532 17.3539 17.3539 18.6561 18.6561 19.4910 19.4910 19.5187 19.5187 22.2387 22.2387 22.2459 22.2459 23.9237 23.9237 23.9278 23.9278 k = 0.4726 0.5000 0.4726 ( 2328 PWs) bands (ev): -64.9637 -64.9637 -36.0080 -36.0080 -33.4130 -33.4130 -21.3051 -21.3051 -21.3039 -21.3039 -12.8725 -12.8725 -12.2286 -12.2286 -12.2275 -12.2275 16.9356 16.9356 16.9552 16.9552 17.3518 17.3518 18.6512 18.6512 19.4706 19.4706 19.5199 19.5199 22.2395 22.2395 22.2520 22.2520 23.9184 23.9184 23.9258 23.9258 k = 0.4658 0.5000 0.4658 ( 2336 PWs) bands (ev): -64.9638 -64.9638 -36.0082 -36.0082 -33.4128 -33.4128 -21.3052 -21.3052 -21.3032 -21.3032 -12.8717 -12.8717 -12.2282 -12.2282 -12.2264 -12.2264 16.9270 16.9270 16.9577 16.9577 17.3495 17.3495 18.6443 18.6443 19.4448 19.4448 19.5218 19.5218 22.2405 22.2405 22.2597 22.2597 23.9116 23.9116 23.9232 23.9232 k = 0.4589 0.5000 0.4589 ( 2348 PWs) bands (ev): -64.9638 -64.9638 -36.0084 -36.0084 -33.4127 -33.4127 -21.3052 -21.3052 -21.3024 -21.3024 -12.8706 -12.8706 -12.2277 -12.2277 -12.2250 -12.2250 16.9165 16.9165 16.9609 16.9609 17.3470 17.3470 18.6352 18.6352 19.4139 19.4139 19.5245 19.5245 22.2416 22.2416 22.2687 22.2687 23.9032 23.9032 23.9200 23.9200 k = 0.4521 0.5000 0.4521 ( 2348 PWs) bands (ev): -64.9639 -64.9639 -36.0087 -36.0087 -33.4125 -33.4125 -21.3053 -21.3053 -21.3015 -21.3015 -12.8694 -12.8694 -12.2270 -12.2270 -12.2234 -12.2234 16.9042 16.9042 16.9645 16.9645 17.3447 17.3447 18.6236 18.6236 19.3782 19.3782 19.5283 19.5283 22.2429 22.2429 22.2789 22.2789 23.8932 23.8932 23.9164 23.9164 k = 0.4452 0.5000 0.4452 ( 2348 PWs) bands (ev): -64.9640 -64.9640 -36.0090 -36.0090 -33.4122 -33.4122 -21.3053 -21.3053 -21.3004 -21.3004 -12.8681 -12.8681 -12.2263 -12.2263 -12.2216 -12.2216 16.8900 16.8900 16.9688 16.9688 17.3427 17.3427 18.6091 18.6091 19.3381 19.3381 19.5335 19.5335 22.2443 22.2443 22.2899 22.2899 23.8815 23.8815 23.9124 23.9124 k = 0.4384 0.5000 0.4384 ( 2354 PWs) bands (ev): -64.9641 -64.9641 -36.0094 -36.0094 -33.4119 -33.4119 -21.3054 -21.3054 -21.2992 -21.2992 -12.8665 -12.8665 -12.2255 -12.2255 -12.2196 -12.2196 16.8742 16.8742 16.9736 16.9736 17.3412 17.3412 18.5915 18.5915 19.2941 19.2941 19.5400 19.5400 22.2458 22.2458 22.3017 22.3017 23.8683 23.8683 23.9080 23.9080 k = 0.4315 0.5000 0.4315 ( 2352 PWs) bands (ev): -64.9642 -64.9642 -36.0098 -36.0098 -33.4115 -33.4115 -21.3054 -21.3054 -21.2978 -21.2978 -12.8648 -12.8648 -12.2247 -12.2247 -12.2174 -12.2174 16.8567 16.8567 16.9790 16.9790 17.3402 17.3402 18.5706 18.5706 19.2464 19.2464 19.5480 19.5480 22.2474 22.2474 22.3139 22.3139 23.8533 23.8533 23.9032 23.9032 k = 0.4247 0.5000 0.4247 ( 2360 PWs) bands (ev): -64.9643 -64.9643 -36.0102 -36.0102 -33.4112 -33.4112 -21.3054 -21.3054 -21.2962 -21.2962 -12.8630 -12.8630 -12.2237 -12.2237 -12.2149 -12.2149 16.8379 16.8379 16.9850 16.9850 17.3398 17.3398 18.5462 18.5462 19.1956 19.1956 19.5575 19.5575 22.2490 22.2490 22.3264 22.3264 23.8366 23.8366 23.8982 23.8982 k = 0.4178 0.5000 0.4178 ( 2360 PWs) bands (ev): -64.9644 -64.9644 -36.0107 -36.0107 -33.4108 -33.4108 -21.3055 -21.3055 -21.2946 -21.2946 -12.8610 -12.8610 -12.2227 -12.2227 -12.2122 -12.2122 16.8178 16.8178 16.9916 16.9916 17.3401 17.3401 18.5184 18.5184 19.1422 19.1422 19.5685 19.5685 22.2506 22.2506 22.3388 22.3388 23.8182 23.8182 23.8929 23.8929 k = 0.4110 0.5000 0.4110 ( 2360 PWs) bands (ev): -64.9645 -64.9645 -36.0112 -36.0112 -33.4103 -33.4103 -21.3055 -21.3055 -21.2928 -21.2928 -12.8589 -12.8589 -12.2216 -12.2216 -12.2094 -12.2094 16.7967 16.7967 16.9987 16.9987 17.3411 17.3411 18.4871 18.4871 19.0867 19.0867 19.5807 19.5807 22.2523 22.2523 22.3511 22.3511 23.7979 23.7979 23.8875 23.8875 k = 0.4041 0.5000 0.4041 ( 2360 PWs) bands (ev): -64.9647 -64.9647 -36.0118 -36.0118 -33.4098 -33.4098 -21.3055 -21.3055 -21.2908 -21.2908 -12.8567 -12.8567 -12.2204 -12.2204 -12.2063 -12.2063 16.7748 16.7748 17.0064 17.0064 17.3426 17.3426 18.4526 18.4526 19.0294 19.0294 19.5942 19.5942 22.2540 22.2540 22.3629 22.3629 23.7759 23.7759 23.8820 23.8820 k = 0.3973 0.5000 0.3973 ( 2358 PWs) bands (ev): -64.9648 -64.9648 -36.0124 -36.0124 -33.4093 -33.4093 -21.3054 -21.3054 -21.2887 -21.2887 -12.8544 -12.8544 -12.2192 -12.2192 -12.2031 -12.2031 16.7524 16.7524 17.0148 17.0148 17.3446 17.3446 18.4150 18.4150 18.9709 18.9709 19.6085 19.6085 22.2556 22.2556 22.3741 22.3741 23.7519 23.7519 23.8765 23.8765 k = 0.3904 0.5000 0.3904 ( 2358 PWs) bands (ev): -64.9649 -64.9649 -36.0130 -36.0130 -33.4087 -33.4087 -21.3054 -21.3054 -21.2865 -21.2865 -12.8519 -12.8519 -12.2180 -12.2180 -12.1997 -12.1997 16.7296 16.7296 17.0236 17.0236 17.3470 17.3470 18.3746 18.3746 18.9116 18.9116 19.6235 19.6235 22.2573 22.2573 22.3845 22.3845 23.7260 23.7260 23.8710 23.8710 k = 0.3836 0.5000 0.3836 ( 2358 PWs) bands (ev): -64.9651 -64.9651 -36.0137 -36.0137 -33.4081 -33.4081 -21.3053 -21.3053 -21.2842 -21.2842 -12.8494 -12.8494 -12.2167 -12.2167 -12.1961 -12.1961 16.7068 16.7068 17.0330 17.0330 17.3494 17.3494 18.3319 18.3319 18.8518 18.8518 19.6390 19.6390 22.2590 22.2590 22.3939 22.3939 23.6982 23.6982 23.8657 23.8657 k = 0.3767 0.5000 0.3767 ( 2362 PWs) bands (ev): -64.9653 -64.9653 -36.0144 -36.0144 -33.4075 -33.4075 -21.3053 -21.3053 -21.2818 -21.2818 -12.8468 -12.8468 -12.2153 -12.2153 -12.1924 -12.1924 16.6841 16.6841 17.0430 17.0430 17.3517 17.3517 18.2873 18.2873 18.7921 18.7921 19.6546 19.6546 22.2606 22.2606 22.4023 22.4023 23.6684 23.6684 23.8605 23.8605 k = 0.3699 0.5000 0.3699 ( 2366 PWs) bands (ev): -64.9655 -64.9655 -36.0151 -36.0151 -33.4069 -33.4069 -21.3052 -21.3052 -21.2792 -21.2792 -12.8441 -12.8441 -12.2139 -12.2139 -12.1885 -12.1885 16.6617 16.6617 17.0534 17.0534 17.3534 17.3534 18.2414 18.2414 18.7326 18.7326 19.6702 19.6702 22.2623 22.2623 22.4095 22.4095 23.6365 23.6365 23.8557 23.8557 k = 0.3630 0.5000 0.3630 ( 2366 PWs) bands (ev): -64.9656 -64.9656 -36.0159 -36.0159 -33.4062 -33.4062 -21.3050 -21.3050 -21.2765 -21.2765 -12.8414 -12.8414 -12.2125 -12.2125 -12.1845 -12.1845 16.6398 16.6398 17.0643 17.0643 17.3542 17.3542 18.1951 18.1951 18.6738 18.6738 19.6855 19.6855 22.2639 22.2639 22.4153 22.4153 23.6027 23.6027 23.8511 23.8511 k = 0.3562 0.5000 0.3562 ( 2372 PWs) bands (ev): -64.9658 -64.9658 -36.0167 -36.0167 -33.4055 -33.4055 -21.3048 -21.3048 -21.2737 -21.2737 -12.8386 -12.8386 -12.2111 -12.2111 -12.1804 -12.1804 16.6186 16.6186 17.0755 17.0755 17.3535 17.3535 18.1493 18.1493 18.6158 18.6158 19.7003 19.7003 22.2654 22.2654 22.4198 22.4198 23.5668 23.5668 23.8469 23.8469 k = 0.3493 0.5000 0.3493 ( 2380 PWs) bands (ev): -64.9660 -64.9660 -36.0175 -36.0175 -33.4048 -33.4048 -21.3046 -21.3046 -21.2708 -21.2708 -12.8358 -12.8358 -12.2096 -12.2096 -12.1762 -12.1762 16.5983 16.5983 17.0868 17.0868 17.3506 17.3506 18.1050 18.1050 18.5588 18.5588 19.7143 19.7143 22.2670 22.2670 22.4229 22.4229 23.5288 23.5288 23.8432 23.8432 k = 0.3425 0.5000 0.3425 ( 2376 PWs) bands (ev): -64.9662 -64.9662 -36.0184 -36.0184 -33.4040 -33.4040 -21.3044 -21.3044 -21.2677 -21.2677 -12.8330 -12.8330 -12.2081 -12.2081 -12.1718 -12.1718 16.5790 16.5790 17.0981 17.0981 17.3448 17.3448 18.0635 18.0635 18.5031 18.5031 19.7274 19.7274 22.2684 22.2684 22.4245 22.4245 23.4887 23.4887 23.8400 23.8400 k = 0.3356 0.5000 0.3356 ( 2376 PWs) bands (ev): -64.9665 -64.9665 -36.0193 -36.0193 -33.4031 -33.4031 -21.3041 -21.3041 -21.2646 -21.2646 -12.8301 -12.8301 -12.2067 -12.2067 -12.1674 -12.1674 16.5608 16.5608 17.1088 17.1088 17.3357 17.3357 18.0260 18.0260 18.4488 18.4488 19.7395 19.7395 22.2698 22.2698 22.4246 22.4246 23.4466 23.4466 23.8372 23.8372 k = 0.3288 0.5000 0.3288 ( 2372 PWs) bands (ev): -64.9667 -64.9667 -36.0202 -36.0202 -33.4023 -33.4023 -21.3037 -21.3037 -21.2613 -21.2613 -12.8273 -12.8273 -12.2052 -12.2052 -12.1629 -12.1629 16.5439 16.5439 17.1181 17.1181 17.3231 17.3231 17.9940 17.9940 18.3960 18.3960 19.7503 19.7503 22.2710 22.2710 22.4233 22.4233 23.4024 23.4024 23.8350 23.8350 k = 0.3219 0.5000 0.3219 ( 2372 PWs) bands (ev): -64.9669 -64.9669 -36.0212 -36.0212 -33.4014 -33.4014 -21.3033 -21.3033 -21.2580 -21.2580 -12.8244 -12.8244 -12.2037 -12.2037 -12.1584 -12.1584 16.5284 16.5284 17.1244 17.1244 17.3077 17.3077 17.9684 17.9684 18.3450 18.3450 19.7598 19.7598 22.2719 22.2719 22.4205 22.4205 23.3562 23.3562 23.8334 23.8334 k = 0.3151 0.5000 0.3151 ( 2372 PWs) bands (ev): -64.9671 -64.9671 -36.0222 -36.0222 -33.4005 -33.4005 -21.3029 -21.3029 -21.2546 -21.2546 -12.8216 -12.8216 -12.2022 -12.2022 -12.1537 -12.1537 16.5144 16.5144 17.1248 17.1248 17.2921 17.2921 17.9497 17.9497 18.2959 18.2959 19.7678 19.7678 22.2724 22.2724 22.4165 22.4165 23.3080 23.3080 23.8324 23.8324 k = 0.3082 0.5000 0.3082 ( 2368 PWs) bands (ev): -64.9673 -64.9673 -36.0232 -36.0232 -33.3995 -33.3995 -21.3024 -21.3024 -21.2510 -21.2510 -12.8189 -12.8189 -12.2008 -12.2008 -12.1491 -12.1491 16.5019 16.5019 17.1152 17.1152 17.2806 17.2806 17.9378 17.9378 18.2492 18.2492 19.7743 19.7743 22.2725 22.2725 22.4112 22.4112 23.2579 23.2579 23.8320 23.8320 k = 0.3014 0.5000 0.3014 ( 2372 PWs) bands (ev): -64.9676 -64.9676 -36.0242 -36.0242 -33.3986 -33.3986 -21.3019 -21.3019 -21.2475 -21.2475 -12.8162 -12.8162 -12.1993 -12.1993 -12.1444 -12.1444 16.4910 16.4910 17.0922 17.0922 17.2769 17.2769 17.9321 17.9321 18.2053 18.2053 19.7792 19.7792 22.2719 22.2719 22.4049 22.4049 23.2059 23.2059 23.8321 23.8321 k = 0.2945 0.5000 0.2945 ( 2372 PWs) bands (ev): -64.9678 -64.9678 -36.0253 -36.0253 -33.3976 -33.3976 -21.3013 -21.3013 -21.2438 -21.2438 -12.8135 -12.8135 -12.1979 -12.1979 -12.1397 -12.1397 16.4818 16.4818 17.0564 17.0564 17.2813 17.2813 17.9309 17.9309 18.1655 18.1655 19.7825 19.7825 22.2703 22.2703 22.3977 22.3977 23.1522 23.1522 23.8328 23.8328 k = 0.2877 0.5000 0.2877 ( 2370 PWs) bands (ev): -64.9681 -64.9681 -36.0264 -36.0264 -33.3966 -33.3966 -21.3006 -21.3006 -21.2401 -21.2401 -12.8109 -12.8109 -12.1965 -12.1965 -12.1350 -12.1350 16.4743 16.4743 17.0110 17.0110 17.2917 17.2917 17.9318 17.9318 18.1316 18.1316 19.7841 19.7841 22.2674 22.2674 22.3899 22.3899 23.0969 23.0969 23.8339 23.8339 k = 0.2808 0.5000 0.2808 ( 2370 PWs) bands (ev): -64.9683 -64.9683 -36.0275 -36.0275 -33.3956 -33.3956 -21.2999 -21.2999 -21.2363 -21.2363 -12.8084 -12.8084 -12.1951 -12.1951 -12.1303 -12.1303 16.4684 16.4684 16.9590 16.9590 17.3057 17.3057 17.9308 17.9308 18.1070 18.1070 19.7840 19.7840 22.2630 22.2630 22.3818 22.3818 23.0402 23.0402 23.8355 23.8355 k = 0.2740 0.5000 0.2740 ( 2366 PWs) bands (ev): -64.9685 -64.9685 -36.0286 -36.0286 -33.3945 -33.3945 -21.2992 -21.2992 -21.2324 -21.2324 -12.8059 -12.8059 -12.1938 -12.1938 -12.1256 -12.1256 16.4641 16.4641 16.9030 16.9030 17.3220 17.3220 17.9232 17.9232 18.0957 18.0957 19.7822 19.7822 22.2565 22.2565 22.3735 22.3735 22.9823 22.9823 23.8375 23.8375 k = 0.2671 0.5000 0.2671 ( 2366 PWs) bands (ev): -64.9688 -64.9688 -36.0297 -36.0297 -33.3935 -33.3935 -21.2984 -21.2984 -21.2285 -21.2285 -12.8036 -12.8036 -12.1924 -12.1924 -12.1209 -12.1209 16.4612 16.4612 16.8445 16.8445 17.3396 17.3396 17.9070 17.9070 18.0997 18.0997 19.7788 19.7788 22.2478 22.2478 22.3650 22.3650 22.9236 22.9236 23.8397 23.8397 k = 0.2603 0.5000 0.2603 ( 2366 PWs) bands (ev): -64.9690 -64.9690 -36.0309 -36.0309 -33.3924 -33.3924 -21.2975 -21.2975 -21.2245 -21.2245 -12.8013 -12.8013 -12.1912 -12.1912 -12.1162 -12.1162 16.4593 16.4593 16.7849 16.7849 17.3577 17.3577 17.8846 17.8846 18.1164 18.1164 19.7737 19.7737 22.2366 22.2366 22.3562 22.3562 22.8646 22.8646 23.8422 23.8422 k = 0.2534 0.5000 0.2534 ( 2360 PWs) bands (ev): -64.9693 -64.9693 -36.0320 -36.0320 -33.3913 -33.3913 -21.2966 -21.2966 -21.2205 -21.2205 -12.7992 -12.7992 -12.1899 -12.1899 -12.1116 -12.1116 16.4578 16.4578 16.7259 16.7259 17.3756 17.3756 17.8597 17.8597 18.1421 18.1421 19.7670 19.7670 22.2229 22.2229 22.3465 22.3465 22.8061 22.8061 23.8447 23.8447 k = 0.2466 0.5000 0.2466 ( 2360 PWs) bands (ev): -64.9695 -64.9695 -36.0332 -36.0332 -33.3902 -33.3902 -21.2957 -21.2957 -21.2165 -21.2165 -12.7971 -12.7971 -12.1887 -12.1887 -12.1071 -12.1071 16.4552 16.4552 16.6694 16.6694 17.3927 17.3927 17.8353 17.8353 18.1743 18.1743 19.7588 19.7588 22.2069 22.2069 22.3346 22.3346 22.7491 22.7491 23.8471 23.8471 k = 0.2397 0.5000 0.2397 ( 2368 PWs) bands (ev): -64.9698 -64.9698 -36.0343 -36.0343 -33.3891 -33.3891 -21.2947 -21.2947 -21.2125 -21.2125 -12.7952 -12.7952 -12.1875 -12.1875 -12.1026 -12.1026 16.4480 16.4480 16.6195 16.6195 17.4080 17.4080 17.8135 17.8135 18.2115 18.2115 19.7491 19.7491 22.1888 22.1888 22.3191 22.3191 22.6952 22.6952 23.8492 23.8492 k = 0.2329 0.5000 0.2329 ( 2360 PWs) bands (ev): -64.9700 -64.9700 -36.0355 -36.0355 -33.3880 -33.3880 -21.2937 -21.2937 -21.2084 -21.2084 -12.7934 -12.7934 -12.1864 -12.1864 -12.0981 -12.0981 16.4298 16.4298 16.5827 16.5827 17.4203 17.4203 17.7962 17.7962 18.2527 18.2527 19.7379 19.7379 22.1688 22.1688 22.2977 22.2977 22.6464 22.6464 23.8509 23.8509 k = 0.2260 0.5000 0.2260 ( 2364 PWs) bands (ev): -64.9703 -64.9703 -36.0367 -36.0367 -33.3869 -33.3869 -21.2926 -21.2926 -21.2044 -21.2044 -12.7917 -12.7917 -12.1853 -12.1853 -12.0938 -12.0938 16.3955 16.3955 16.5646 16.5646 17.4285 17.4285 17.7849 17.7849 18.2974 18.2974 19.7254 19.7254 22.1472 22.1472 22.2684 22.2684 22.6047 22.6047 23.8519 23.8519 k = 0.2192 0.5000 0.2192 ( 2360 PWs) bands (ev): -64.9705 -64.9705 -36.0379 -36.0379 -33.3857 -33.3857 -21.2915 -21.2915 -21.2003 -21.2003 -12.7902 -12.7902 -12.1843 -12.1843 -12.0895 -12.0895 16.3484 16.3484 16.5622 16.5622 17.4316 17.4316 17.7808 17.7808 18.3453 18.3453 19.7116 19.7116 22.1241 22.1241 22.2294 22.2294 22.5719 22.5719 23.8520 23.8520 k = 0.2123 0.5000 0.2123 ( 2360 PWs) bands (ev): -64.9708 -64.9708 -36.0390 -36.0390 -33.3846 -33.3846 -21.2903 -21.2903 -21.1963 -21.1963 -12.7887 -12.7887 -12.1833 -12.1833 -12.0853 -12.0853 16.2949 16.2949 16.5691 16.5691 17.4290 17.4290 17.7846 17.7846 18.3962 18.3962 19.6967 19.6967 22.0996 22.0996 22.1809 22.1809 22.5478 22.5478 23.8509 23.8509 k = 0.2055 0.5000 0.2055 ( 2356 PWs) bands (ev): -64.9710 -64.9710 -36.0402 -36.0402 -33.3835 -33.3835 -21.2891 -21.2891 -21.1922 -21.1922 -12.7874 -12.7874 -12.1823 -12.1823 -12.0812 -12.0812 16.2388 16.2388 16.5817 16.5817 17.4210 17.4210 17.7961 17.7961 18.4499 18.4499 19.6806 19.6806 22.0729 22.0729 22.1248 22.1248 22.5313 22.5313 23.8483 23.8483 k = 0.1986 0.5000 0.1986 ( 2360 PWs) bands (ev): -64.9712 -64.9712 -36.0414 -36.0414 -33.3824 -33.3824 -21.2879 -21.2879 -21.1882 -21.1882 -12.7862 -12.7862 -12.1814 -12.1814 -12.0772 -12.0772 16.1822 16.1822 16.5980 16.5980 17.4086 17.4086 17.8144 17.8144 18.5063 18.5063 19.6635 19.6635 22.0389 22.0389 22.0686 22.0686 22.5205 22.5205 23.8438 23.8438 k = 0.1918 0.5000 0.1918 ( 2368 PWs) bands (ev): -64.9715 -64.9715 -36.0425 -36.0425 -33.3813 -33.3813 -21.2867 -21.2867 -21.1843 -21.1843 -12.7852 -12.7852 -12.1805 -12.1805 -12.0733 -12.0733 16.1259 16.1259 16.6173 16.6173 17.3928 17.3928 17.8385 17.8385 18.5653 18.5653 19.6455 19.6455 21.9808 21.9808 22.0306 22.0306 22.5137 22.5137 23.8370 23.8370 k = 0.1849 0.5000 0.1849 ( 2368 PWs) bands (ev): -64.9717 -64.9717 -36.0436 -36.0436 -33.3802 -33.3802 -21.2855 -21.2855 -21.1804 -21.1804 -12.7842 -12.7842 -12.1797 -12.1797 -12.0695 -12.0695 16.0704 16.0704 16.6390 16.6390 17.3748 17.3748 17.8673 17.8673 18.6268 18.6268 19.6267 19.6267 21.9095 21.9095 22.0016 22.0016 22.5095 22.5095 23.8274 23.8274 k = 0.1781 0.5000 0.1781 ( 2368 PWs) bands (ev): -64.9719 -64.9719 -36.0448 -36.0448 -33.3791 -33.3791 -21.2842 -21.2842 -21.1765 -21.1765 -12.7834 -12.7834 -12.1789 -12.1789 -12.0658 -12.0658 16.0161 16.0161 16.6629 16.6629 17.3554 17.3554 17.9000 17.9000 18.6908 18.6908 19.6072 19.6072 21.8336 21.8336 21.9739 21.9739 22.5070 22.5070 23.8145 23.8145 k = 0.1712 0.5000 0.1712 ( 2352 PWs) bands (ev): -64.9722 -64.9722 -36.0459 -36.0459 -33.3780 -33.3780 -21.2829 -21.2829 -21.1726 -21.1726 -12.7827 -12.7827 -12.1781 -12.1781 -12.0622 -12.0622 15.9631 15.9631 16.6887 16.6887 17.3353 17.3353 17.9358 17.9358 18.7572 18.7572 19.5870 19.5870 21.7552 21.7552 21.9464 21.9464 22.5055 22.5055 23.7979 23.7979 k = 0.1644 0.5000 0.1644 ( 2350 PWs) bands (ev): -64.9724 -64.9724 -36.0470 -36.0470 -33.3769 -33.3769 -21.2816 -21.2816 -21.1689 -21.1689 -12.7821 -12.7821 -12.1774 -12.1774 -12.0588 -12.0588 15.9117 15.9117 16.7163 16.7163 17.3150 17.3150 17.9743 17.9743 18.8260 18.8260 19.5662 19.5662 21.6748 21.6748 21.9191 21.9191 22.5044 22.5044 23.7770 23.7770 k = 0.1575 0.5000 0.1575 ( 2366 PWs) bands (ev): -64.9726 -64.9726 -36.0480 -36.0480 -33.3759 -33.3759 -21.2803 -21.2803 -21.1652 -21.1652 -12.7816 -12.7816 -12.1767 -12.1767 -12.0555 -12.0555 15.8620 15.8620 16.7455 16.7455 17.2947 17.2947 18.0151 18.0151 18.8970 18.8970 19.5450 19.5450 21.5929 21.5929 21.8919 21.8919 22.5034 22.5034 23.7513 23.7513 k = 0.1507 0.5000 0.1507 ( 2370 PWs) bands (ev): -64.9728 -64.9728 -36.0491 -36.0491 -33.3750 -33.3750 -21.2791 -21.2791 -21.1616 -21.1616 -12.7813 -12.7813 -12.1761 -12.1761 -12.0523 -12.0523 15.8139 15.8139 16.7761 16.7761 17.2749 17.2749 18.0579 18.0579 18.9703 18.9703 19.5235 19.5235 21.5100 21.5100 21.8649 21.8649 22.5020 22.5020 23.7206 23.7206 k = 0.1438 0.5000 0.1438 ( 2370 PWs) bands (ev): -64.9730 -64.9730 -36.0501 -36.0501 -33.3740 -33.3740 -21.2778 -21.2778 -21.1581 -21.1581 -12.7810 -12.7810 -12.1755 -12.1755 -12.0492 -12.0492 15.7677 15.7677 16.8080 16.8080 17.2556 17.2556 18.1026 18.1026 19.0458 19.0458 19.5018 19.5018 21.4263 21.4263 21.8383 21.8383 22.4998 22.4998 23.6846 23.6846 k = 0.1370 0.5000 0.1370 ( 2366 PWs) bands (ev): -64.9732 -64.9732 -36.0510 -36.0510 -33.3730 -33.3730 -21.2765 -21.2765 -21.1547 -21.1547 -12.7808 -12.7808 -12.1749 -12.1749 -12.0463 -12.0463 15.7234 15.7234 16.8409 16.8409 17.2370 17.2370 18.1489 18.1489 19.1234 19.1234 19.4800 19.4800 21.3420 21.3420 21.8121 21.8121 22.4965 22.4965 23.6432 23.6432 k = 0.1301 0.5000 0.1301 ( 2370 PWs) bands (ev): -64.9734 -64.9734 -36.0520 -36.0520 -33.3721 -33.3721 -21.2753 -21.2753 -21.1514 -21.1514 -12.7807 -12.7807 -12.1744 -12.1744 -12.0435 -12.0435 15.6810 15.6810 16.8748 16.8748 17.2192 17.2192 18.1966 18.1966 19.2030 19.2030 19.4583 19.4583 21.2573 21.2573 21.7864 21.7864 22.4916 22.4916 23.5966 23.5966 k = 0.1233 0.5000 0.1233 ( 2358 PWs) bands (ev): -64.9736 -64.9736 -36.0529 -36.0529 -33.3711 -33.3711 -21.2740 -21.2740 -21.1482 -21.1482 -12.7806 -12.7806 -12.1739 -12.1739 -12.0408 -12.0408 15.6406 15.6406 16.9093 16.9093 17.2022 17.2022 18.2456 18.2456 19.2842 19.2842 19.4372 19.4372 21.1725 21.1725 21.7614 21.7614 22.4845 22.4845 23.5451 23.5451 k = 0.1164 0.5000 0.1164 ( 2362 PWs) bands (ev): -64.9737 -64.9737 -36.0538 -36.0538 -33.3703 -33.3703 -21.2729 -21.2729 -21.1452 -21.1452 -12.7806 -12.7806 -12.1735 -12.1735 -12.0383 -12.0383 15.6022 15.6022 16.9443 16.9443 17.1863 17.1863 18.2958 18.2958 19.3645 19.3645 19.4193 19.4193 21.0877 21.0877 21.7371 21.7371 22.4747 22.4747 23.4887 23.4887 k = 0.1096 0.5000 0.1096 ( 2362 PWs) bands (ev): -64.9739 -64.9739 -36.0546 -36.0546 -33.3694 -33.3694 -21.2717 -21.2717 -21.1422 -21.1422 -12.7807 -12.7807 -12.1731 -12.1731 -12.0359 -12.0359 15.5659 15.5659 16.9795 16.9795 17.1714 17.1714 18.3470 18.3470 19.3888 19.3888 19.4596 19.4596 21.0032 21.0032 21.7135 21.7135 22.4612 22.4612 23.4275 23.4275 k = 0.1027 0.5000 0.1027 ( 2348 PWs) bands (ev): -64.9740 -64.9740 -36.0554 -36.0554 -33.3686 -33.3686 -21.2706 -21.2706 -21.1394 -21.1394 -12.7808 -12.7808 -12.1727 -12.1727 -12.0337 -12.0337 15.5316 15.5316 17.0144 17.0144 17.1578 17.1578 18.3989 18.3989 19.3708 19.3708 19.5447 19.5447 20.9191 20.9191 21.6909 21.6909 22.4430 22.4430 23.3612 23.3612 k = 0.0959 0.5000 0.0959 ( 2348 PWs) bands (ev): -64.9742 -64.9742 -36.0562 -36.0562 -33.3678 -33.3678 -21.2695 -21.2695 -21.1367 -21.1367 -12.7810 -12.7810 -12.1723 -12.1723 -12.0316 -12.0316 15.4995 15.4995 17.0483 17.0483 17.1460 17.1460 18.4514 18.4514 19.3518 19.3518 19.6332 19.6332 20.8357 20.8357 21.6692 21.6692 22.4188 22.4188 23.2901 23.2901 k = 0.0890 0.5000 0.0890 ( 2356 PWs) bands (ev): -64.9743 -64.9743 -36.0569 -36.0569 -33.3671 -33.3671 -21.2685 -21.2685 -21.1343 -21.1343 -12.7812 -12.7812 -12.1720 -12.1720 -12.0296 -12.0296 15.4695 15.4695 17.0789 17.0789 17.1380 17.1380 18.5042 18.5042 19.3336 19.3336 19.7233 19.7233 20.7533 20.7533 21.6486 21.6486 22.3871 22.3871 23.2165 23.2165 k = 0.0822 0.5000 0.0822 ( 2356 PWs) bands (ev): -64.9745 -64.9745 -36.0576 -36.0576 -33.3665 -33.3665 -21.2676 -21.2676 -21.1319 -21.1319 -12.7814 -12.7814 -12.1717 -12.1717 -12.0278 -12.0278 15.4416 15.4416 17.0976 17.0976 17.1423 17.1423 18.5568 18.5568 19.3168 19.3168 19.8146 19.8146 20.6724 20.6724 21.6290 21.6290 22.3465 22.3465 23.1447 23.1447 k = 0.0753 0.5000 0.0753 ( 2352 PWs) bands (ev): -64.9746 -64.9746 -36.0582 -36.0582 -33.3658 -33.3658 -21.2667 -21.2667 -21.1297 -21.1297 -12.7816 -12.7816 -12.1714 -12.1714 -12.0261 -12.0261 15.4159 15.4159 17.0976 17.0976 17.1651 17.1651 18.6088 18.6088 19.3020 19.3020 19.9064 19.9064 20.5936 20.5936 21.6105 21.6105 22.2958 22.2958 23.0789 23.0789 k = 0.0685 0.5000 0.0685 ( 2352 PWs) bands (ev): -64.9747 -64.9747 -36.0588 -36.0588 -33.3653 -33.3653 -21.2658 -21.2658 -21.1277 -21.1277 -12.7819 -12.7819 -12.1712 -12.1712 -12.0246 -12.0246 15.3924 15.3924 17.0910 17.0910 17.1941 17.1941 18.6595 18.6595 19.2896 19.2896 19.9975 19.9975 20.5182 20.5182 21.5932 21.5932 22.2347 22.2347 23.0219 23.0219 k = 0.0616 0.5000 0.0616 ( 2364 PWs) bands (ev): -64.9748 -64.9748 -36.0593 -36.0593 -33.3648 -33.3648 -21.2651 -21.2651 -21.1259 -21.1259 -12.7821 -12.7821 -12.1710 -12.1710 -12.0232 -12.0232 15.3711 15.3711 17.0836 17.0836 17.2234 17.2234 18.7083 18.7083 19.2804 19.2804 20.0849 20.0849 20.4491 20.4491 21.5769 21.5769 22.1639 22.1639 22.9745 22.9745 k = 0.0548 0.5000 0.0548 ( 2364 PWs) bands (ev): -64.9749 -64.9749 -36.0598 -36.0598 -33.3643 -33.3643 -21.2644 -21.2644 -21.1243 -21.1243 -12.7824 -12.7824 -12.1708 -12.1708 -12.0220 -12.0220 15.3521 15.3521 17.0765 17.0765 17.2513 17.2513 18.7541 18.7541 19.2752 19.2752 20.1591 20.1591 20.3960 20.3960 21.5617 21.5617 22.0849 22.0849 22.9363 22.9363 k = 0.0479 0.5000 0.0479 ( 2368 PWs) bands (ev): -64.9750 -64.9750 -36.0602 -36.0602 -33.3639 -33.3639 -21.2638 -21.2638 -21.1228 -21.1228 -12.7826 -12.7826 -12.1706 -12.1706 -12.0209 -12.0209 15.3352 15.3352 17.0700 17.0700 17.2771 17.2771 18.7958 18.7958 19.2746 19.2746 20.1899 20.1899 20.3892 20.3892 21.5473 21.5473 22.0003 22.0003 22.9061 22.9061 k = 0.0411 0.5000 0.0411 ( 2376 PWs) bands (ev): -64.9750 -64.9750 -36.0606 -36.0606 -33.3636 -33.3636 -21.2633 -21.2633 -21.1216 -21.1216 -12.7828 -12.7828 -12.1705 -12.1705 -12.0199 -12.0199 15.3206 15.3206 17.0643 17.0643 17.3005 17.3005 18.8321 18.8321 19.2795 19.2795 20.1614 20.1614 20.4445 20.4445 21.5334 21.5334 21.9128 21.9128 22.8824 22.8824 k = 0.0342 0.5000 0.0342 ( 2376 PWs) bands (ev): -64.9751 -64.9751 -36.0609 -36.0609 -33.3633 -33.3633 -21.2628 -21.2628 -21.1205 -21.1205 -12.7830 -12.7830 -12.1703 -12.1703 -12.0191 -12.0191 15.3082 15.3082 17.0595 17.0595 17.3210 17.3210 18.8622 18.8622 19.2899 19.2899 20.1107 20.1107 20.5247 20.5247 21.5190 21.5190 21.8260 21.8260 22.8640 22.8640 k = 0.0274 0.5000 0.0274 ( 2376 PWs) bands (ev): -64.9751 -64.9751 -36.0611 -36.0611 -33.3630 -33.3630 -21.2624 -21.2624 -21.1196 -21.1196 -12.7832 -12.7832 -12.1702 -12.1702 -12.0185 -12.0185 15.2980 15.2980 17.0555 17.0555 17.3383 17.3383 18.8856 18.8856 19.3050 19.3050 20.0581 20.0581 20.6092 20.6092 21.5025 21.5025 21.7447 21.7447 22.8496 22.8496 k = 0.0205 0.5000 0.0205 ( 2376 PWs) bands (ev): -64.9752 -64.9752 -36.0613 -36.0613 -33.3628 -33.3628 -21.2621 -21.2621 -21.1189 -21.1189 -12.7833 -12.7833 -12.1702 -12.1702 -12.0180 -12.0180 15.2901 15.2901 17.0524 17.0524 17.3520 17.3520 18.9025 18.9025 19.3228 19.3228 20.0106 20.0106 20.6899 20.6899 21.4813 21.4813 21.6759 21.6759 22.8388 22.8388 k = 0.0137 0.5000 0.0137 ( 2376 PWs) bands (ev): -64.9752 -64.9752 -36.0615 -36.0615 -33.3627 -33.3627 -21.2619 -21.2619 -21.1184 -21.1184 -12.7834 -12.7834 -12.1701 -12.1701 -12.0176 -12.0176 15.2845 15.2845 17.0502 17.0502 17.3620 17.3620 18.9137 18.9137 19.3399 19.3399 19.9725 19.9725 20.7598 20.7598 21.4534 21.4534 21.6272 21.6272 22.8312 22.8312 k = 0.0068 0.5000 0.0068 ( 2376 PWs) bands (ev): -64.9752 -64.9752 -36.0616 -36.0616 -33.3626 -33.3626 -21.2618 -21.2618 -21.1181 -21.1181 -12.7834 -12.7834 -12.1701 -12.1701 -12.0174 -12.0174 15.2811 15.2811 17.0488 17.0488 17.3681 17.3681 18.9199 18.9199 19.3524 19.3524 19.9476 19.9476 20.8094 20.8094 21.4260 21.4260 21.6010 21.6010 22.8266 22.8266 k = 0.0000 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9752 -64.9752 -36.0616 -36.0616 -33.3625 -33.3625 -21.2617 -21.2617 -21.1180 -21.1180 -12.7835 -12.7835 -12.1701 -12.1701 -12.0173 -12.0173 15.2800 15.2800 17.0484 17.0484 17.3701 17.3701 18.9219 18.9219 19.3571 19.3571 19.9389 19.9389 20.8279 20.8279 21.4140 21.4140 21.5932 21.5932 22.8251 22.8251 k = 0.5000 0.5000-0.0000 ( 2360 PWs) bands (ev): -64.9694 -64.9694 -36.0304 -36.0304 -33.3937 -33.3937 -21.3499 -21.3499 -21.1820 -21.1820 -12.7810 -12.7810 -12.2142 -12.2142 -12.0439 -12.0439 15.1899 15.1899 15.4214 15.4214 17.4903 17.4903 17.7387 17.7387 21.2064 21.2064 21.9964 21.9964 22.0387 22.0387 22.1466 22.1466 23.1093 23.1093 23.8482 23.8482 k = 0.5000 0.5000 0.0096 ( 2360 PWs) bands (ev): -64.9694 -64.9694 -36.0304 -36.0304 -33.3938 -33.3938 -21.3499 -21.3499 -21.1821 -21.1821 -12.7811 -12.7811 -12.2142 -12.2142 -12.0441 -12.0441 15.1924 15.1924 15.4228 15.4228 17.4898 17.4898 17.7381 17.7381 21.2026 21.2026 21.9971 21.9971 22.0382 22.0382 22.1423 22.1423 23.1099 23.1099 23.8483 23.8483 k = 0.5000 0.5000 0.0192 ( 2364 PWs) bands (ev): -64.9694 -64.9694 -36.0303 -36.0303 -33.3938 -33.3938 -21.3498 -21.3498 -21.1825 -21.1825 -12.7813 -12.7813 -12.2143 -12.2143 -12.0446 -12.0446 15.1998 15.1998 15.4268 15.4268 17.4883 17.4883 17.7365 17.7365 21.1912 21.1912 21.9992 21.9992 22.0362 22.0362 22.1299 22.1299 23.1117 23.1117 23.8485 23.8485 k = 0.5000 0.5000 0.0288 ( 2380 PWs) bands (ev): -64.9694 -64.9694 -36.0302 -36.0302 -33.3940 -33.3940 -21.3496 -21.3496 -21.1831 -21.1831 -12.7817 -12.7817 -12.2143 -12.2143 -12.0455 -12.0455 15.2122 15.2122 15.4335 15.4335 17.4857 17.4857 17.7339 17.7339 21.1725 21.1725 22.0026 22.0026 22.0311 22.0311 22.1114 22.1114 23.1147 23.1147 23.8489 23.8489 k = 0.5000 0.5000 0.0385 ( 2380 PWs) bands (ev): -64.9693 -64.9693 -36.0301 -36.0301 -33.3941 -33.3941 -21.3493 -21.3493 -21.1839 -21.1839 -12.7822 -12.7822 -12.2144 -12.2144 -12.0468 -12.0468 15.2296 15.2296 15.4429 15.4429 17.4822 17.4822 17.7302 17.7302 21.1468 21.1468 22.0072 22.0072 22.0186 22.0186 22.0916 22.0916 23.1189 23.1189 23.8494 23.8494 k = 0.5000 0.5000 0.0481 ( 2380 PWs) bands (ev): -64.9693 -64.9693 -36.0299 -36.0299 -33.3943 -33.3943 -21.3489 -21.3489 -21.1849 -21.1849 -12.7829 -12.7829 -12.2146 -12.2146 -12.0484 -12.0484 15.2519 15.2519 15.4550 15.4550 17.4776 17.4776 17.7255 17.7255 21.1147 21.1147 21.9924 21.9924 22.0130 22.0130 22.0777 22.0777 23.1242 23.1242 23.8501 23.8501 k = 0.5000 0.5000 0.0577 ( 2372 PWs) bands (ev): -64.9692 -64.9692 -36.0297 -36.0297 -33.3944 -33.3944 -21.3485 -21.3485 -21.1861 -21.1861 -12.7837 -12.7837 -12.2147 -12.2147 -12.0504 -12.0504 15.2791 15.2791 15.4696 15.4696 17.4722 17.4722 17.7198 17.7198 21.0766 21.0766 21.9518 21.9518 22.0198 22.0198 22.0713 22.0713 23.1307 23.1307 23.8509 23.8509 k = 0.5000 0.5000 0.0673 ( 2372 PWs) bands (ev): -64.9691 -64.9691 -36.0294 -36.0294 -33.3947 -33.3947 -21.3480 -21.3480 -21.1876 -21.1876 -12.7847 -12.7847 -12.2149 -12.2149 -12.0526 -12.0526 15.3112 15.3112 15.4868 15.4868 17.4658 17.4658 17.7132 17.7132 21.0332 21.0332 21.9007 21.9007 22.0275 22.0275 22.0693 22.0693 23.1384 23.1384 23.8518 23.8518 k = 0.5000 0.5000 0.0769 ( 2356 PWs) bands (ev): -64.9691 -64.9691 -36.0291 -36.0291 -33.3948 -33.3948 -21.3474 -21.3474 -21.1892 -21.1892 -12.7858 -12.7858 -12.2151 -12.2151 -12.0552 -12.0552 15.3480 15.3480 15.5065 15.5065 17.4585 17.4585 17.7056 17.7056 20.9851 20.9851 21.8422 21.8422 22.0360 22.0360 22.0694 22.0694 23.1472 23.1472 23.8529 23.8529 k = 0.5000 0.5000 0.0865 ( 2356 PWs) bands (ev): -64.9690 -64.9690 -36.0288 -36.0288 -33.3951 -33.3951 -21.3467 -21.3467 -21.1910 -21.1910 -12.7871 -12.7871 -12.2153 -12.2153 -12.0582 -12.0582 15.3896 15.3896 15.5287 15.5287 17.4504 17.4504 17.6972 17.6972 20.9328 20.9328 21.7783 21.7783 22.0453 22.0453 22.0707 22.0707 23.1571 23.1571 23.8541 23.8541 k = 0.5000 0.5000 0.0962 ( 2364 PWs) bands (ev): -64.9689 -64.9689 -36.0284 -36.0284 -33.3955 -33.3955 -21.3460 -21.3460 -21.1931 -21.1931 -12.7885 -12.7885 -12.2156 -12.2156 -12.0614 -12.0614 15.4359 15.4359 15.5533 15.5533 17.4416 17.4416 17.6879 17.6879 20.8769 20.8769 21.7100 21.7100 22.0552 22.0552 22.0727 22.0727 23.1682 23.1682 23.8555 23.8555 k = 0.5000 0.5000 0.1058 ( 2356 PWs) bands (ev): -64.9688 -64.9688 -36.0280 -36.0280 -33.3958 -33.3958 -21.3452 -21.3452 -21.1953 -21.1953 -12.7900 -12.7900 -12.2158 -12.2158 -12.0649 -12.0649 15.4868 15.4868 15.5802 15.5802 17.4320 17.4320 17.6778 17.6778 20.8181 20.8181 21.6384 21.6384 22.0657 22.0657 22.0753 22.0753 23.1804 23.1804 23.8570 23.8570 k = 0.5000 0.5000 0.1154 ( 2348 PWs) bands (ev): -64.9687 -64.9687 -36.0276 -36.0276 -33.3961 -33.3961 -21.3443 -21.3443 -21.1977 -21.1977 -12.7917 -12.7917 -12.2161 -12.2161 -12.0687 -12.0687 15.5422 15.5422 15.6094 15.6094 17.4218 17.4218 17.6670 17.6670 20.7567 20.7567 21.5641 21.5641 22.0768 22.0768 22.0784 22.0784 23.1936 23.1936 23.8585 23.8585 k = 0.5000 0.5000 0.1250 ( 2348 PWs) bands (ev): -64.9685 -64.9685 -36.0271 -36.0271 -33.3965 -33.3965 -21.3434 -21.3434 -21.2003 -21.2003 -12.7934 -12.7934 -12.2165 -12.2165 -12.0727 -12.0727 15.6020 15.6020 15.6407 15.6407 17.4110 17.4110 17.6555 17.6555 20.6932 20.6932 21.4879 21.4879 22.0817 22.0817 22.0885 22.0885 23.2079 23.2079 23.8602 23.8602 k = 0.5000 0.5000 0.1346 ( 2356 PWs) bands (ev): -64.9684 -64.9684 -36.0266 -36.0266 -33.3970 -33.3970 -21.3424 -21.3424 -21.2030 -21.2030 -12.7954 -12.7954 -12.2168 -12.2168 -12.0770 -12.0770 15.6662 15.6662 15.6741 15.6741 17.3997 17.3997 17.6435 17.6435 20.6282 20.6282 21.4102 21.4102 22.0854 22.0854 22.1006 22.1006 23.2231 23.2231 23.8620 23.8620 k = 0.5000 0.5000 0.1442 ( 2348 PWs) bands (ev): -64.9683 -64.9683 -36.0261 -36.0261 -33.3974 -33.3974 -21.3414 -21.3414 -21.2059 -21.2059 -12.7974 -12.7974 -12.2171 -12.2171 -12.0815 -12.0815 15.7094 15.7094 15.7346 15.7346 17.3880 17.3880 17.6308 17.6308 20.5619 20.5619 21.3316 21.3316 22.0894 22.0894 22.1131 22.1131 23.2394 23.2394 23.8639 23.8639 k = 0.5000 0.5000 0.1538 ( 2356 PWs) bands (ev): -64.9681 -64.9681 -36.0255 -36.0255 -33.3979 -33.3979 -21.3403 -21.3403 -21.2090 -21.2090 -12.7995 -12.7995 -12.2175 -12.2175 -12.0862 -12.0862 15.7466 15.7466 15.8070 15.8070 17.3760 17.3760 17.6177 17.6177 20.4948 20.4948 21.2524 21.2524 22.0936 22.0936 22.1260 22.1260 23.2567 23.2567 23.8659 23.8659 k = 0.5000 0.5000 0.1635 ( 2356 PWs) bands (ev): -64.9680 -64.9680 -36.0249 -36.0249 -33.3984 -33.3984 -21.3391 -21.3391 -21.2121 -21.2121 -12.8017 -12.8017 -12.2179 -12.2179 -12.0911 -12.0911 15.7855 15.7855 15.8833 15.8833 17.3638 17.3638 17.6042 17.6042 20.4272 20.4272 21.1731 21.1731 22.0981 22.0981 22.1392 22.1392 23.2748 23.2748 23.8680 23.8680 k = 0.5000 0.5000 0.1731 ( 2356 PWs) bands (ev): -64.9678 -64.9678 -36.0243 -36.0243 -33.3990 -33.3990 -21.3380 -21.3380 -21.2154 -21.2154 -12.8040 -12.8040 -12.2183 -12.2183 -12.0961 -12.0961 15.8261 15.8261 15.9633 15.9633 17.3515 17.3515 17.5903 17.5903 20.3594 20.3594 21.0939 21.0939 22.1027 22.1027 22.1526 22.1526 23.2938 23.2938 23.8702 23.8702 k = 0.5000 0.5000 0.1827 ( 2356 PWs) bands (ev): -64.9677 -64.9677 -36.0237 -36.0237 -33.3995 -33.3995 -21.3368 -21.3368 -21.2187 -21.2187 -12.8065 -12.8065 -12.2187 -12.2187 -12.1013 -12.1013 15.8681 15.8681 16.0468 16.0468 17.3393 17.3393 17.5762 17.5762 20.2916 20.2916 21.0151 21.0151 22.1075 22.1075 22.1663 22.1663 23.3137 23.3137 23.8724 23.8724 k = 0.5000 0.5000 0.1923 ( 2356 PWs) bands (ev): -64.9675 -64.9675 -36.0231 -36.0231 -33.4000 -33.4000 -21.3355 -21.3355 -21.2222 -21.2222 -12.8089 -12.8089 -12.2191 -12.2191 -12.1066 -12.1066 15.9115 15.9115 16.1335 16.1335 17.3274 17.3274 17.5618 17.5618 20.2242 20.2242 20.9370 20.9370 22.1124 22.1124 22.1800 22.1800 23.3344 23.3344 23.8747 23.8747 k = 0.5000 0.5000 0.2019 ( 2356 PWs) bands (ev): -64.9674 -64.9674 -36.0224 -36.0224 -33.4006 -33.4006 -21.3342 -21.3342 -21.2257 -21.2257 -12.8115 -12.8115 -12.2196 -12.2196 -12.1120 -12.1120 15.9561 15.9561 16.2230 16.2230 17.3160 17.3160 17.5473 17.5473 20.1573 20.1573 20.8598 20.8598 22.1175 22.1175 22.1939 22.1939 23.3558 23.3558 23.8770 23.8770 k = 0.5000 0.5000 0.2115 ( 2348 PWs) bands (ev): -64.9672 -64.9672 -36.0218 -36.0218 -33.4011 -33.4011 -21.3329 -21.3329 -21.2293 -21.2293 -12.8141 -12.8141 -12.2200 -12.2200 -12.1175 -12.1175 16.0017 16.0017 16.3151 16.3151 17.3054 17.3054 17.5328 17.5328 20.0912 20.0912 20.7836 20.7836 22.1227 22.1227 22.2076 22.2076 23.3778 23.3778 23.8794 23.8794 k = 0.5000 0.5000 0.2212 ( 2348 PWs) bands (ev): -64.9670 -64.9670 -36.0211 -36.0211 -33.4017 -33.4017 -21.3316 -21.3316 -21.2330 -21.2330 -12.8168 -12.8168 -12.2205 -12.2205 -12.1231 -12.1231 16.0482 16.0482 16.4090 16.4090 17.2960 17.2960 17.5183 17.5183 20.0261 20.0261 20.7087 20.7087 22.1280 22.1280 22.2213 22.2213 23.4005 23.4005 23.8818 23.8818 k = 0.5000 0.5000 0.2308 ( 2348 PWs) bands (ev): -64.9669 -64.9669 -36.0204 -36.0204 -33.4023 -33.4023 -21.3303 -21.3303 -21.2366 -21.2366 -12.8196 -12.8196 -12.2209 -12.2209 -12.1287 -12.1287 16.0954 16.0954 16.5040 16.5040 17.2886 17.2886 17.5039 17.5039 19.9622 19.9622 20.6352 20.6352 22.1333 22.1333 22.2347 22.2347 23.4238 23.4238 23.8843 23.8843 k = 0.5000 0.5000 0.2404 ( 2356 PWs) bands (ev): -64.9667 -64.9667 -36.0197 -36.0197 -33.4029 -33.4029 -21.3289 -21.3289 -21.2404 -21.2404 -12.8223 -12.8223 -12.2214 -12.2214 -12.1343 -12.1343 16.1431 16.1431 16.5989 16.5989 17.2840 17.2840 17.4896 17.4896 19.8997 19.8997 20.5632 20.5632 22.1388 22.1388 22.2477 22.2477 23.4475 23.4475 23.8867 23.8867 k = 0.5000 0.5000 0.2500 ( 2356 PWs) bands (ev): -64.9665 -64.9665 -36.0191 -36.0191 -33.4035 -33.4035 -21.3276 -21.3276 -21.2441 -21.2441 -12.8251 -12.8251 -12.2219 -12.2219 -12.1400 -12.1400 16.1912 16.1912 16.6920 16.6920 17.2839 17.2839 17.4756 17.4756 19.8387 19.8387 20.4930 20.4930 22.1442 22.1442 22.2603 22.2603 23.4716 23.4716 23.8892 23.8892 k = 0.5000 0.5000 0.2596 ( 2356 PWs) bands (ev): -64.9663 -64.9663 -36.0184 -36.0184 -33.4041 -33.4041 -21.3262 -21.3262 -21.2478 -21.2478 -12.8279 -12.8279 -12.2223 -12.2223 -12.1455 -12.1455 16.2395 16.2395 16.7804 16.7804 17.2908 17.2908 17.4619 17.4619 19.7795 19.7795 20.4245 20.4245 22.1497 22.1497 22.2724 22.2724 23.4961 23.4961 23.8917 23.8917 k = 0.5000 0.5000 0.2692 ( 2352 PWs) bands (ev): -64.9662 -64.9662 -36.0177 -36.0177 -33.4047 -33.4047 -21.3249 -21.3249 -21.2515 -21.2515 -12.8307 -12.8307 -12.2228 -12.2228 -12.1511 -12.1511 16.2878 16.2878 16.8598 16.8598 17.3088 17.3088 17.4486 17.4486 19.7221 19.7221 20.3579 20.3579 22.1551 22.1551 22.2838 22.2838 23.5209 23.5209 23.8942 23.8942 k = 0.5000 0.5000 0.2788 ( 2360 PWs) bands (ev): -64.9660 -64.9660 -36.0170 -36.0170 -33.4053 -33.4053 -21.3235 -21.3235 -21.2552 -21.2552 -12.8336 -12.8336 -12.2232 -12.2232 -12.1566 -12.1566 16.3358 16.3358 16.9248 16.9248 17.3430 17.3430 17.4358 17.4358 19.6669 19.6669 20.2933 20.2933 22.1606 22.1606 22.2944 22.2944 23.5458 23.5458 23.8966 23.8966 k = 0.5000 0.5000 0.2885 ( 2360 PWs) bands (ev): -64.9658 -64.9658 -36.0163 -36.0163 -33.4059 -33.4059 -21.3222 -21.3222 -21.2588 -21.2588 -12.8364 -12.8364 -12.2237 -12.2237 -12.1620 -12.1620 16.3833 16.3833 16.9715 16.9715 17.3971 17.3971 17.4235 17.4235 19.6140 19.6140 20.2308 20.2308 22.1660 22.1660 22.3041 22.3041 23.5708 23.5708 23.8991 23.8991 k = 0.5000 0.5000 0.2981 ( 2360 PWs) bands (ev): -64.9657 -64.9657 -36.0157 -36.0157 -33.4065 -33.4065 -21.3209 -21.3209 -21.2624 -21.2624 -12.8391 -12.8391 -12.2241 -12.2241 -12.1673 -12.1673 16.4303 16.4303 17.0001 17.0001 17.4118 17.4118 17.4703 17.4703 19.5635 19.5635 20.1705 20.1705 22.1713 22.1713 22.3127 22.3127 23.5958 23.5958 23.9015 23.9015 k = 0.5000 0.5000 0.3077 ( 2368 PWs) bands (ev): -64.9655 -64.9655 -36.0150 -36.0150 -33.4071 -33.4071 -21.3197 -21.3197 -21.2659 -21.2659 -12.8419 -12.8419 -12.2245 -12.2245 -12.1725 -12.1725 16.4763 16.4763 17.0152 17.0152 17.4008 17.4008 17.5576 17.5576 19.5158 19.5158 20.1125 20.1125 22.1765 22.1765 22.3202 22.3202 23.6207 23.6207 23.9038 23.9038 k = 0.5000 0.5000 0.3173 ( 2368 PWs) bands (ev): -64.9653 -64.9653 -36.0144 -36.0144 -33.4076 -33.4076 -21.3184 -21.3184 -21.2693 -21.2693 -12.8446 -12.8446 -12.2250 -12.2250 -12.1775 -12.1775 16.5212 16.5212 17.0215 17.0215 17.3906 17.3906 17.6539 17.6539 19.4712 19.4712 20.0567 20.0567 22.1817 22.1817 22.3264 22.3264 23.6454 23.6454 23.9061 23.9061 k = 0.5000 0.5000 0.3269 ( 2368 PWs) bands (ev): -64.9652 -64.9652 -36.0138 -36.0138 -33.4082 -33.4082 -21.3172 -21.3172 -21.2726 -21.2726 -12.8472 -12.8472 -12.2254 -12.2254 -12.1824 -12.1824 16.5648 16.5648 17.0223 17.0223 17.3812 17.3812 17.7551 17.7551 19.4298 19.4298 20.0035 20.0035 22.1867 22.1867 22.3312 22.3312 23.6697 23.6697 23.9084 23.9084 k = 0.5000 0.5000 0.3365 ( 2360 PWs) bands (ev): -64.9650 -64.9650 -36.0132 -36.0132 -33.4086 -33.4086 -21.3160 -21.3160 -21.2758 -21.2758 -12.8498 -12.8498 -12.2258 -12.2258 -12.1871 -12.1871 16.6069 16.6069 17.0200 17.0200 17.3727 17.3727 17.8582 17.8582 19.3922 19.3922 19.9526 19.9526 22.1916 22.1916 22.3345 22.3345 23.6936 23.6936 23.9105 23.9105 k = 0.5000 0.5000 0.3462 ( 2360 PWs) bands (ev): -64.9649 -64.9649 -36.0126 -36.0126 -33.4091 -33.4091 -21.3149 -21.3149 -21.2789 -21.2789 -12.8523 -12.8523 -12.2262 -12.2262 -12.1916 -12.1916 16.6471 16.6471 17.0157 17.0157 17.3651 17.3651 17.9611 17.9611 19.3588 19.3588 19.9044 19.9044 22.1964 22.1964 22.3362 22.3362 23.7170 23.7170 23.9126 23.9126 k = 0.5000 0.5000 0.3558 ( 2360 PWs) bands (ev): -64.9647 -64.9647 -36.0120 -36.0120 -33.4096 -33.4096 -21.3138 -21.3138 -21.2819 -21.2819 -12.8547 -12.8547 -12.2265 -12.2265 -12.1959 -12.1959 16.6854 16.6854 17.0103 17.0103 17.3586 17.3586 18.0620 18.0620 19.3301 19.3301 19.8587 19.8587 22.2009 22.2009 22.3363 22.3363 23.7398 23.7398 23.9146 23.9146 k = 0.5000 0.5000 0.3654 ( 2360 PWs) bands (ev): -64.9646 -64.9646 -36.0115 -36.0115 -33.4101 -33.4101 -21.3127 -21.3127 -21.2847 -21.2847 -12.8570 -12.8570 -12.2269 -12.2269 -12.2001 -12.2001 16.7215 16.7215 17.0044 17.0044 17.3532 17.3532 18.1591 18.1591 19.3068 19.3068 19.8157 19.8157 22.2053 22.2053 22.3347 22.3347 23.7618 23.7618 23.9166 23.9166 k = 0.5000 0.5000 0.3750 ( 2368 PWs) bands (ev): -64.9645 -64.9645 -36.0110 -36.0110 -33.4105 -33.4105 -21.3118 -21.3118 -21.2874 -21.2874 -12.8592 -12.8592 -12.2272 -12.2272 -12.2039 -12.2039 16.7551 16.7551 16.9982 16.9982 17.3489 17.3489 18.2507 18.2507 19.2899 19.2899 19.7754 19.7754 22.2095 22.2095 22.3314 22.3314 23.7828 23.7828 23.9184 23.9184 k = 0.5000 0.5000 0.3846 ( 2368 PWs) bands (ev): -64.9644 -64.9644 -36.0105 -36.0105 -33.4110 -33.4110 -21.3108 -21.3108 -21.2899 -21.2899 -12.8612 -12.8612 -12.2275 -12.2275 -12.2076 -12.2076 16.7862 16.7862 16.9920 16.9920 17.3458 17.3458 18.3350 18.3350 19.2801 19.2801 19.7379 19.7379 22.2134 22.2134 22.3266 22.3266 23.8029 23.8029 23.9201 23.9201 k = 0.5000 0.5000 0.3942 ( 2356 PWs) bands (ev): -64.9642 -64.9642 -36.0101 -36.0101 -33.4113 -33.4113 -21.3099 -21.3099 -21.2923 -21.2923 -12.8632 -12.8632 -12.2278 -12.2278 -12.2110 -12.2110 16.8145 16.8145 16.9860 16.9860 17.3438 17.3438 18.4103 18.4103 19.2784 19.2784 19.7032 19.7032 22.2171 22.2171 22.3202 22.3202 23.8219 23.8219 23.9217 23.9217 k = 0.5000 0.5000 0.4038 ( 2356 PWs) bands (ev): -64.9641 -64.9641 -36.0097 -36.0097 -33.4116 -33.4116 -21.3091 -21.3091 -21.2944 -21.2944 -12.8650 -12.8650 -12.2281 -12.2281 -12.2141 -12.2141 16.8400 16.8400 16.9803 16.9803 17.3428 17.3428 18.4751 18.4751 19.2855 19.2855 19.6713 19.6713 22.2205 22.2205 22.3126 22.3126 23.8397 23.8397 23.9232 23.9232 k = 0.5000 0.5000 0.4135 ( 2356 PWs) bands (ev): -64.9641 -64.9641 -36.0093 -36.0093 -33.4120 -33.4120 -21.3084 -21.3084 -21.2964 -21.2964 -12.8666 -12.8666 -12.2283 -12.2283 -12.2170 -12.2170 16.8627 16.8627 16.9749 16.9749 17.3429 17.3429 18.5284 18.5284 19.3013 19.3013 19.6424 19.6424 22.2237 22.2237 22.3038 22.3038 23.8562 23.8562 23.9245 23.9245 k = 0.5000 0.5000 0.4231 ( 2348 PWs) bands (ev): -64.9640 -64.9640 -36.0090 -36.0090 -33.4122 -33.4122 -21.3077 -21.3077 -21.2982 -21.2982 -12.8682 -12.8682 -12.2286 -12.2286 -12.2195 -12.2195 16.8825 16.8825 16.9700 16.9700 17.3438 17.3438 18.5702 18.5702 19.3250 19.3250 19.6164 19.6164 22.2265 22.2265 22.2942 22.2942 23.8712 23.8712 23.9258 23.9258 k = 0.5000 0.5000 0.4327 ( 2348 PWs) bands (ev): -64.9639 -64.9639 -36.0087 -36.0087 -33.4125 -33.4125 -21.3071 -21.3071 -21.2998 -21.2998 -12.8695 -12.8695 -12.2288 -12.2288 -12.2218 -12.2218 16.8995 16.8995 16.9656 16.9656 17.3454 17.3454 18.6015 18.6015 19.3547 19.3547 19.5934 19.5934 22.2291 22.2291 22.2841 22.2841 23.8847 23.8847 23.9268 23.9268 k = 0.5000 0.5000 0.4423 ( 2340 PWs) bands (ev): -64.9638 -64.9638 -36.0084 -36.0084 -33.4127 -33.4127 -21.3065 -21.3065 -21.3012 -21.3012 -12.8707 -12.8707 -12.2289 -12.2289 -12.2238 -12.2238 16.9138 16.9138 16.9617 16.9617 17.3474 17.3474 18.6238 18.6238 19.3878 19.3878 19.5733 19.5733 22.2313 22.2313 22.2740 22.2740 23.8966 23.8966 23.9278 23.9278 k = 0.5000 0.5000 0.4519 ( 2340 PWs) bands (ev): -64.9638 -64.9638 -36.0082 -36.0082 -33.4129 -33.4129 -21.3061 -21.3061 -21.3024 -21.3024 -12.8717 -12.8717 -12.2291 -12.2291 -12.2255 -12.2255 16.9255 16.9255 16.9584 16.9584 17.3497 17.3497 18.6391 18.6391 19.4214 19.4214 19.5563 19.5563 22.2332 22.2332 22.2643 22.2643 23.9068 23.9068 23.9286 23.9286 k = 0.5000 0.5000 0.4615 ( 2332 PWs) bands (ev): -64.9637 -64.9637 -36.0080 -36.0080 -33.4130 -33.4130 -21.3057 -21.3057 -21.3033 -21.3033 -12.8725 -12.8725 -12.2292 -12.2292 -12.2269 -12.2269 16.9348 16.9348 16.9556 16.9556 17.3519 17.3519 18.6491 18.6491 19.4529 19.4529 19.5424 19.5424 22.2348 22.2348 22.2555 22.2555 23.9152 23.9152 23.9293 23.9293 k = 0.5000 0.5000 0.4712 ( 2320 PWs) bands (ev): -64.9637 -64.9637 -36.0079 -36.0079 -33.4131 -33.4131 -21.3054 -21.3054 -21.3040 -21.3040 -12.8732 -12.8732 -12.2293 -12.2293 -12.2280 -12.2280 16.9419 16.9419 16.9535 16.9535 17.3539 17.3539 18.6555 18.6555 19.4798 19.4798 19.5316 19.5316 22.2361 22.2361 22.2481 22.2481 23.9219 23.9219 23.9298 23.9298 k = 0.5000 0.5000 0.4808 ( 2320 PWs) bands (ev): -64.9636 -64.9636 -36.0078 -36.0078 -33.4132 -33.4132 -21.3052 -21.3052 -21.3046 -21.3046 -12.8736 -12.8736 -12.2294 -12.2294 -12.2288 -12.2288 16.9468 16.9468 16.9519 16.9519 17.3555 17.3555 18.6593 18.6593 19.5003 19.5003 19.5238 19.5238 22.2369 22.2369 22.2424 22.2424 23.9267 23.9267 23.9302 23.9302 k = 0.5000 0.5000 0.4904 ( 2320 PWs) bands (ev): -64.9636 -64.9636 -36.0077 -36.0077 -33.4132 -33.4132 -21.3051 -21.3051 -21.3049 -21.3049 -12.8739 -12.8739 -12.2294 -12.2294 -12.2293 -12.2293 16.9497 16.9497 16.9510 16.9510 17.3565 17.3565 18.6613 18.6613 19.5132 19.5132 19.5191 19.5191 22.2375 22.2375 22.2389 22.2389 23.9295 23.9295 23.9304 23.9304 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -64.9636 -64.9636 -36.0077 -36.0077 -33.4132 -33.4132 -21.3050 -21.3050 -21.3050 -21.3050 -12.8740 -12.8740 -12.2294 -12.2294 -12.2294 -12.2294 16.9507 16.9507 16.9507 16.9507 17.3569 17.3569 18.6619 18.6619 19.5176 19.5176 19.5176 19.5176 22.2377 22.2377 22.2377 22.2377 23.9305 23.9305 23.9305 23.9305 Writing output data file TiOs.save init_run : 0.08s CPU 0.21s WALL ( 1 calls) electrons : 75.16s CPU 77.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 75.15s CPU 77.08s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 397 calls) cegterg : 70.05s CPU 71.51s WALL ( 456 calls) Called by sum_band: Called by *egterg: h_psi : 34.02s CPU 34.92s WALL ( 7783 calls) s_psi : 1.06s CPU 1.10s WALL ( 7783 calls) g_psi : 0.10s CPU 0.13s WALL ( 6930 calls) cdiaghg : 31.25s CPU 31.70s WALL ( 7327 calls) cegterg:over : 2.54s CPU 2.79s WALL ( 6930 calls) cegterg:upda : 1.90s CPU 1.88s WALL ( 6930 calls) cegterg:last : 1.36s CPU 1.34s WALL ( 1546 calls) cdiaghg:chol : 1.68s CPU 1.58s WALL ( 7327 calls) cdiaghg:inve : 0.80s CPU 0.88s WALL ( 7327 calls) cdiaghg:para : 1.72s CPU 1.82s WALL ( 14654 calls) Called by h_psi: h_psi:vloc : 30.10s CPU 30.84s WALL ( 7783 calls) h_psi:vnl : 3.84s CPU 4.01s WALL ( 7783 calls) add_vuspsi : 2.17s CPU 2.23s WALL ( 7783 calls) General routines calbec : 1.65s CPU 1.77s WALL ( 7783 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 28.56s CPU 29.32s WALL ( 680188 calls) davcio : 0.09s CPU 0.15s WALL ( 794 calls) Parallel routines fft_scatter : 14.15s CPU 14.42s WALL ( 680203 calls) PWSCF : 1m25.78s CPU 1m39.94s WALL This run was terminated on: 21: 5: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=