Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 8:15 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: ./TiPt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 25 7 924 582 97 Max 35 26 8 931 596 102 Sum 1245 933 285 33371 21247 3575 bravais-lattice index = 14 lattice parameter (alat) = 6.0320 a.u. unit-cell volume = 219.4750 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.032005 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ti 12.00 47.86700 Ti( 1.00) Pt 10.00 195.08400 Pt( 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= 382 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0000000 0.0100000 -0.0000000), wk = 0.0026178 k( 3) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0000000 0.0300000 -0.0000000), wk = 0.0026178 k( 5) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0026178 k( 6) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0026178 k( 7) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0026178 k( 8) = ( 0.0000000 0.0700000 -0.0000000), wk = 0.0026178 k( 9) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0026178 k( 10) = ( 0.0000000 0.0900000 -0.0000000), wk = 0.0026178 k( 11) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0026178 k( 12) = ( 0.0000000 0.1100000 -0.0000000), wk = 0.0026178 k( 13) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0026178 k( 14) = ( 0.0000000 0.1300000 -0.0000000), wk = 0.0026178 k( 15) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0026178 k( 16) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0026178 k( 17) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0026178 k( 18) = ( 0.0000000 0.1700000 -0.0000000), wk = 0.0026178 k( 19) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0026178 k( 20) = ( 0.0000000 0.1900000 -0.0000000), wk = 0.0026178 k( 21) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0026178 k( 22) = ( 0.0000000 0.2100000 -0.0000000), wk = 0.0026178 k( 23) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0026178 k( 24) = ( 0.0000000 0.2300000 -0.0000000), wk = 0.0026178 k( 25) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0026178 k( 26) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026178 k( 27) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0026178 k( 28) = ( 0.0000000 0.2700000 -0.0000000), wk = 0.0026178 k( 29) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0026178 k( 30) = ( 0.0000000 0.2900000 -0.0000000), wk = 0.0026178 k( 31) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0026178 k( 32) = ( 0.0000000 0.3100000 -0.0000000), wk = 0.0026178 k( 33) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0026178 k( 34) = ( 0.0000000 0.3300000 -0.0000000), wk = 0.0026178 k( 35) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0026178 k( 36) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0026178 k( 37) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0026178 k( 38) = ( 0.0000000 0.3700000 -0.0000000), wk = 0.0026178 k( 39) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0026178 k( 40) = ( 0.0000000 0.3900000 -0.0000000), wk = 0.0026178 k( 41) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0026178 k( 42) = ( 0.0000000 0.4100000 -0.0000000), wk = 0.0026178 k( 43) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0026178 k( 44) = ( 0.0000000 0.4300000 -0.0000000), wk = 0.0026178 k( 45) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0026178 k( 46) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0026178 k( 47) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0026178 k( 48) = ( 0.0000000 0.4700000 -0.0000000), wk = 0.0026178 k( 49) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0026178 k( 50) = ( 0.0000000 0.4900000 -0.0000000), wk = 0.0026178 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 52) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 53) = ( 0.0100000 0.5000000 -0.0000000), wk = 0.0026178 k( 54) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0026178 k( 55) = ( 0.0300000 0.5000000 -0.0000000), wk = 0.0026178 k( 56) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0026178 k( 57) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0026178 k( 58) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0026178 k( 59) = ( 0.0700000 0.5000000 -0.0000000), wk = 0.0026178 k( 60) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0026178 k( 61) = ( 0.0900000 0.5000000 -0.0000000), wk = 0.0026178 k( 62) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0026178 k( 63) = ( 0.1100000 0.5000000 -0.0000000), wk = 0.0026178 k( 64) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0026178 k( 65) = ( 0.1300000 0.5000000 -0.0000000), wk = 0.0026178 k( 66) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0026178 k( 67) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0026178 k( 68) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0026178 k( 69) = ( 0.1700000 0.5000000 -0.0000000), wk = 0.0026178 k( 70) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0026178 k( 71) = ( 0.1900000 0.5000000 -0.0000000), wk = 0.0026178 k( 72) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0026178 k( 73) = ( 0.2100000 0.5000000 -0.0000000), wk = 0.0026178 k( 74) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0026178 k( 75) = ( 0.2300000 0.5000000 -0.0000000), wk = 0.0026178 k( 76) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0026178 k( 77) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026178 k( 78) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0026178 k( 79) = ( 0.2700000 0.5000000 -0.0000000), wk = 0.0026178 k( 80) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0026178 k( 81) = ( 0.2900000 0.5000000 -0.0000000), wk = 0.0026178 k( 82) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026178 k( 83) = ( 0.3100000 0.5000000 -0.0000000), wk = 0.0026178 k( 84) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0026178 k( 85) = ( 0.3300000 0.5000000 -0.0000000), wk = 0.0026178 k( 86) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0026178 k( 87) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0026178 k( 88) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0026178 k( 89) = ( 0.3700000 0.5000000 -0.0000000), wk = 0.0026178 k( 90) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0026178 k( 91) = ( 0.3900000 0.5000000 -0.0000000), wk = 0.0026178 k( 92) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026178 k( 93) = ( 0.4100000 0.5000000 -0.0000000), wk = 0.0026178 k( 94) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0026178 k( 95) = ( 0.4300000 0.5000000 -0.0000000), wk = 0.0026178 k( 96) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0026178 k( 97) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0026178 k( 98) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0026178 k( 99) = ( 0.4700000 0.5000000 -0.0000000), wk = 0.0026178 k( 100) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0026178 k( 101) = ( 0.4900000 0.5000000 -0.0000000), wk = 0.0026178 k( 102) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 103) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 104) = ( 0.4928571 0.4928571 -0.0000000), wk = 0.0026178 k( 105) = ( 0.4857143 0.4857143 -0.0000000), wk = 0.0026178 k( 106) = ( 0.4785714 0.4785714 -0.0000000), wk = 0.0026178 k( 107) = ( 0.4714286 0.4714286 -0.0000000), wk = 0.0026178 k( 108) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0026178 k( 109) = ( 0.4571429 0.4571429 -0.0000000), wk = 0.0026178 k( 110) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0026178 k( 111) = ( 0.4428571 0.4428571 -0.0000000), wk = 0.0026178 k( 112) = ( 0.4357143 0.4357143 -0.0000000), wk = 0.0026178 k( 113) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0026178 k( 114) = ( 0.4214286 0.4214286 -0.0000000), wk = 0.0026178 k( 115) = ( 0.4142857 0.4142857 -0.0000000), wk = 0.0026178 k( 116) = ( 0.4071429 0.4071429 -0.0000000), wk = 0.0026178 k( 117) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0026178 k( 118) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0026178 k( 119) = ( 0.3857143 0.3857143 -0.0000000), wk = 0.0026178 k( 120) = ( 0.3785714 0.3785714 -0.0000000), wk = 0.0026178 k( 121) = ( 0.3714286 0.3714286 -0.0000000), wk = 0.0026178 k( 122) = ( 0.3642857 0.3642857 -0.0000000), wk = 0.0026178 k( 123) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0026178 k( 124) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0026178 k( 125) = ( 0.3428571 0.3428571 -0.0000000), wk = 0.0026178 k( 126) = ( 0.3357143 0.3357143 -0.0000000), wk = 0.0026178 k( 127) = ( 0.3285714 0.3285714 -0.0000000), wk = 0.0026178 k( 128) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0026178 k( 129) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0026178 k( 130) = ( 0.3071429 0.3071429 -0.0000000), wk = 0.0026178 k( 131) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0026178 k( 132) = ( 0.2928571 0.2928571 -0.0000000), wk = 0.0026178 k( 133) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0026178 k( 134) = ( 0.2785714 0.2785714 -0.0000000), wk = 0.0026178 k( 135) = ( 0.2714286 0.2714286 -0.0000000), wk = 0.0026178 k( 136) = ( 0.2642857 0.2642857 -0.0000000), wk = 0.0026178 k( 137) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0026178 k( 138) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0026178 k( 139) = ( 0.2428571 0.2428571 -0.0000000), wk = 0.0026178 k( 140) = ( 0.2357143 0.2357143 -0.0000000), wk = 0.0026178 k( 141) = ( 0.2285714 0.2285714 -0.0000000), wk = 0.0026178 k( 142) = ( 0.2214286 0.2214286 -0.0000000), wk = 0.0026178 k( 143) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0026178 k( 144) = ( 0.2071429 0.2071429 -0.0000000), wk = 0.0026178 k( 145) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0026178 k( 146) = ( 0.1928571 0.1928571 -0.0000000), wk = 0.0026178 k( 147) = ( 0.1857143 0.1857143 -0.0000000), wk = 0.0026178 k( 148) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0026178 k( 149) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0026178 k( 150) = ( 0.1642857 0.1642857 -0.0000000), wk = 0.0026178 k( 151) = ( 0.1571429 0.1571429 -0.0000000), wk = 0.0026178 k( 152) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0026178 k( 153) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0026178 k( 154) = ( 0.1357143 0.1357143 -0.0000000), wk = 0.0026178 k( 155) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0026178 k( 156) = ( 0.1214286 0.1214286 -0.0000000), wk = 0.0026178 k( 157) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0026178 k( 158) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0026178 k( 159) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0026178 k( 160) = ( 0.0928571 0.0928571 -0.0000000), wk = 0.0026178 k( 161) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0026178 k( 162) = ( 0.0785714 0.0785714 -0.0000000), wk = 0.0026178 k( 163) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0026178 k( 164) = ( 0.0642857 0.0642857 -0.0000000), wk = 0.0026178 k( 165) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0026178 k( 166) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0026178 k( 167) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0026178 k( 168) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0026178 k( 169) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0026178 k( 170) = ( 0.0214286 0.0214286 -0.0000000), wk = 0.0026178 k( 171) = ( 0.0142857 0.0142857 -0.0000000), wk = 0.0026178 k( 172) = ( 0.0071429 0.0071429 -0.0000000), wk = 0.0026178 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 175) = ( 0.0058140 0.0058139 0.0058139), wk = 0.0026178 k( 176) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0026178 k( 177) = ( 0.0174419 0.0174419 0.0174419), wk = 0.0026178 k( 178) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0026178 k( 179) = ( 0.0290698 0.0290698 0.0290698), wk = 0.0026178 k( 180) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0026178 k( 181) = ( 0.0406977 0.0406977 0.0406977), wk = 0.0026178 k( 182) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0026178 k( 183) = ( 0.0523256 0.0523256 0.0523256), wk = 0.0026178 k( 184) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0026178 k( 185) = ( 0.0639535 0.0639535 0.0639535), wk = 0.0026178 k( 186) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0026178 k( 187) = ( 0.0755814 0.0755814 0.0755814), wk = 0.0026178 k( 188) = ( 0.0813954 0.0813953 0.0813953), wk = 0.0026178 k( 189) = ( 0.0872093 0.0872093 0.0872093), wk = 0.0026178 k( 190) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0026178 k( 191) = ( 0.0988372 0.0988372 0.0988372), wk = 0.0026178 k( 192) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0026178 k( 193) = ( 0.1104651 0.1104651 0.1104651), wk = 0.0026178 k( 194) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0026178 k( 195) = ( 0.1220930 0.1220930 0.1220930), wk = 0.0026178 k( 196) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0026178 k( 197) = ( 0.1337209 0.1337209 0.1337209), wk = 0.0026178 k( 198) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0026178 k( 199) = ( 0.1453488 0.1453488 0.1453488), wk = 0.0026178 k( 200) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0026178 k( 201) = ( 0.1569767 0.1569767 0.1569767), wk = 0.0026178 k( 202) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0026178 k( 203) = ( 0.1686046 0.1686046 0.1686046), wk = 0.0026178 k( 204) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0026178 k( 205) = ( 0.1802326 0.1802326 0.1802326), wk = 0.0026178 k( 206) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0026178 k( 207) = ( 0.1918605 0.1918605 0.1918605), wk = 0.0026178 k( 208) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0026178 k( 209) = ( 0.2034884 0.2034884 0.2034884), wk = 0.0026178 k( 210) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0026178 k( 211) = ( 0.2151163 0.2151163 0.2151163), wk = 0.0026178 k( 212) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0026178 k( 213) = ( 0.2267442 0.2267442 0.2267442), wk = 0.0026178 k( 214) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0026178 k( 215) = ( 0.2383721 0.2383721 0.2383721), wk = 0.0026178 k( 216) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0026178 k( 217) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026178 k( 218) = ( 0.2558140 0.2558140 0.2558139), wk = 0.0026178 k( 219) = ( 0.2616279 0.2616279 0.2616279), wk = 0.0026178 k( 220) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0026178 k( 221) = ( 0.2732558 0.2732558 0.2732558), wk = 0.0026178 k( 222) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0026178 k( 223) = ( 0.2848837 0.2848837 0.2848837), wk = 0.0026178 k( 224) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0026178 k( 225) = ( 0.2965116 0.2965116 0.2965116), wk = 0.0026178 k( 226) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0026178 k( 227) = ( 0.3081395 0.3081395 0.3081395), wk = 0.0026178 k( 228) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0026178 k( 229) = ( 0.3197674 0.3197674 0.3197674), wk = 0.0026178 k( 230) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0026178 k( 231) = ( 0.3313953 0.3313953 0.3313953), wk = 0.0026178 k( 232) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0026178 k( 233) = ( 0.3430233 0.3430233 0.3430233), wk = 0.0026178 k( 234) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0026178 k( 235) = ( 0.3546512 0.3546512 0.3546512), wk = 0.0026178 k( 236) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0026178 k( 237) = ( 0.3662791 0.3662791 0.3662791), wk = 0.0026178 k( 238) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0026178 k( 239) = ( 0.3779070 0.3779070 0.3779070), wk = 0.0026178 k( 240) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0026178 k( 241) = ( 0.3895349 0.3895349 0.3895349), wk = 0.0026178 k( 242) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0026178 k( 243) = ( 0.4011628 0.4011628 0.4011628), wk = 0.0026178 k( 244) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0026178 k( 245) = ( 0.4127907 0.4127907 0.4127907), wk = 0.0026178 k( 246) = ( 0.4186047 0.4186046 0.4186046), wk = 0.0026178 k( 247) = ( 0.4244186 0.4244186 0.4244186), wk = 0.0026178 k( 248) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0026178 k( 249) = ( 0.4360465 0.4360465 0.4360465), wk = 0.0026178 k( 250) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0026178 k( 251) = ( 0.4476744 0.4476744 0.4476744), wk = 0.0026178 k( 252) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0026178 k( 253) = ( 0.4593023 0.4593023 0.4593023), wk = 0.0026178 k( 254) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0026178 k( 255) = ( 0.4709302 0.4709302 0.4709302), wk = 0.0026178 k( 256) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0026178 k( 257) = ( 0.4825581 0.4825581 0.4825581), wk = 0.0026178 k( 258) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0026178 k( 259) = ( 0.4941860 0.4941860 0.4941860), wk = 0.0026178 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 262) = ( 0.4928571 0.5000000 0.4928571), wk = 0.0026178 k( 263) = ( 0.4857143 0.5000000 0.4857143), wk = 0.0026178 k( 264) = ( 0.4785714 0.5000000 0.4785714), wk = 0.0026178 k( 265) = ( 0.4714286 0.5000000 0.4714286), wk = 0.0026178 k( 266) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0026178 k( 267) = ( 0.4571429 0.5000000 0.4571429), wk = 0.0026178 k( 268) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0026178 k( 269) = ( 0.4428571 0.5000000 0.4428571), wk = 0.0026178 k( 270) = ( 0.4357143 0.5000000 0.4357143), wk = 0.0026178 k( 271) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0026178 k( 272) = ( 0.4214286 0.5000000 0.4214286), wk = 0.0026178 k( 273) = ( 0.4142857 0.5000000 0.4142857), wk = 0.0026178 k( 274) = ( 0.4071429 0.5000000 0.4071429), wk = 0.0026178 k( 275) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0026178 k( 276) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0026178 k( 277) = ( 0.3857143 0.5000000 0.3857143), wk = 0.0026178 k( 278) = ( 0.3785714 0.5000000 0.3785714), wk = 0.0026178 k( 279) = ( 0.3714286 0.5000000 0.3714286), wk = 0.0026178 k( 280) = ( 0.3642857 0.5000000 0.3642857), wk = 0.0026178 k( 281) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0026178 k( 282) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0026178 k( 283) = ( 0.3428571 0.5000000 0.3428571), wk = 0.0026178 k( 284) = ( 0.3357143 0.5000000 0.3357143), wk = 0.0026178 k( 285) = ( 0.3285714 0.5000000 0.3285714), wk = 0.0026178 k( 286) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0026178 k( 287) = ( 0.3142857 0.5000000 0.3142857), wk = 0.0026178 k( 288) = ( 0.3071429 0.5000000 0.3071429), wk = 0.0026178 k( 289) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0026178 k( 290) = ( 0.2928571 0.5000000 0.2928571), wk = 0.0026178 k( 291) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0026178 k( 292) = ( 0.2785714 0.5000000 0.2785714), wk = 0.0026178 k( 293) = ( 0.2714286 0.5000000 0.2714286), wk = 0.0026178 k( 294) = ( 0.2642857 0.5000000 0.2642857), wk = 0.0026178 k( 295) = ( 0.2571429 0.5000000 0.2571429), wk = 0.0026178 k( 296) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0026178 k( 297) = ( 0.2428571 0.5000000 0.2428571), wk = 0.0026178 k( 298) = ( 0.2357143 0.5000000 0.2357143), wk = 0.0026178 k( 299) = ( 0.2285714 0.5000000 0.2285714), wk = 0.0026178 k( 300) = ( 0.2214286 0.5000000 0.2214286), wk = 0.0026178 k( 301) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0026178 k( 302) = ( 0.2071429 0.5000000 0.2071429), wk = 0.0026178 k( 303) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0026178 k( 304) = ( 0.1928571 0.5000000 0.1928571), wk = 0.0026178 k( 305) = ( 0.1857143 0.5000000 0.1857143), wk = 0.0026178 k( 306) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0026178 k( 307) = ( 0.1714286 0.5000000 0.1714286), wk = 0.0026178 k( 308) = ( 0.1642857 0.5000000 0.1642857), wk = 0.0026178 k( 309) = ( 0.1571429 0.5000000 0.1571429), wk = 0.0026178 k( 310) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0026178 k( 311) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0026178 k( 312) = ( 0.1357143 0.5000000 0.1357143), wk = 0.0026178 k( 313) = ( 0.1285714 0.5000000 0.1285714), wk = 0.0026178 k( 314) = ( 0.1214286 0.5000000 0.1214286), wk = 0.0026178 k( 315) = ( 0.1142857 0.5000000 0.1142857), wk = 0.0026178 k( 316) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0026178 k( 317) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0026178 k( 318) = ( 0.0928571 0.5000000 0.0928571), wk = 0.0026178 k( 319) = ( 0.0857143 0.5000000 0.0857143), wk = 0.0026178 k( 320) = ( 0.0785714 0.5000000 0.0785714), wk = 0.0026178 k( 321) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0026178 k( 322) = ( 0.0642857 0.5000000 0.0642857), wk = 0.0026178 k( 323) = ( 0.0571429 0.5000000 0.0571429), wk = 0.0026178 k( 324) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0026178 k( 325) = ( 0.0428571 0.5000000 0.0428571), wk = 0.0026178 k( 326) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0026178 k( 327) = ( 0.0285714 0.5000000 0.0285714), wk = 0.0026178 k( 328) = ( 0.0214286 0.5000000 0.0214286), wk = 0.0026178 k( 329) = ( 0.0142857 0.5000000 0.0142857), wk = 0.0026178 k( 330) = ( 0.0071429 0.5000000 0.0071429), wk = 0.0026178 k( 331) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 332) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 333) = ( 0.5000000 0.5000000 0.0100000), wk = 0.0026178 k( 334) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0026178 k( 335) = ( 0.5000000 0.5000000 0.0300000), wk = 0.0026178 k( 336) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0026178 k( 337) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0026178 k( 338) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0026178 k( 339) = ( 0.5000000 0.5000000 0.0700000), wk = 0.0026178 k( 340) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0026178 k( 341) = ( 0.5000000 0.5000000 0.0900000), wk = 0.0026178 k( 342) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026178 k( 343) = ( 0.5000000 0.5000000 0.1100000), wk = 0.0026178 k( 344) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0026178 k( 345) = ( 0.5000000 0.5000000 0.1300000), wk = 0.0026178 k( 346) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0026178 k( 347) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0026178 k( 348) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0026178 k( 349) = ( 0.5000000 0.5000000 0.1700000), wk = 0.0026178 k( 350) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0026178 k( 351) = ( 0.5000000 0.5000000 0.1900000), wk = 0.0026178 k( 352) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026178 k( 353) = ( 0.5000000 0.5000000 0.2100000), wk = 0.0026178 k( 354) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0026178 k( 355) = ( 0.5000000 0.5000000 0.2300000), wk = 0.0026178 k( 356) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0026178 k( 357) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026178 k( 358) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0026178 k( 359) = ( 0.5000000 0.5000000 0.2700000), wk = 0.0026178 k( 360) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0026178 k( 361) = ( 0.5000000 0.5000000 0.2900000), wk = 0.0026178 k( 362) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026178 k( 363) = ( 0.5000000 0.5000000 0.3100000), wk = 0.0026178 k( 364) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0026178 k( 365) = ( 0.5000000 0.5000000 0.3300000), wk = 0.0026178 k( 366) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0026178 k( 367) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0026178 k( 368) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0026178 k( 369) = ( 0.5000000 0.5000000 0.3700000), wk = 0.0026178 k( 370) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0026178 k( 371) = ( 0.5000000 0.5000000 0.3900000), wk = 0.0026178 k( 372) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026178 k( 373) = ( 0.5000000 0.5000000 0.4100000), wk = 0.0026178 k( 374) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0026178 k( 375) = ( 0.5000000 0.5000000 0.4300000), wk = 0.0026178 k( 376) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0026178 k( 377) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0026178 k( 378) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0026178 k( 379) = ( 0.5000000 0.5000000 0.4700000), wk = 0.0026178 k( 380) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0026178 k( 381) = ( 0.5000000 0.5000000 0.4900000), wk = 0.0026178 k( 382) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0000000 0.0100000 0.0000000), wk = 0.0026178 k( 3) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0026178 k( 4) = ( 0.0000000 0.0300000 0.0000000), wk = 0.0026178 k( 5) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0026178 k( 6) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0026178 k( 7) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0026178 k( 8) = ( 0.0000000 0.0700000 0.0000000), wk = 0.0026178 k( 9) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0026178 k( 10) = ( 0.0000000 0.0900000 0.0000000), wk = 0.0026178 k( 11) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0026178 k( 12) = ( 0.0000000 0.1100000 0.0000000), wk = 0.0026178 k( 13) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0026178 k( 14) = ( 0.0000000 0.1300000 0.0000000), wk = 0.0026178 k( 15) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0026178 k( 16) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0026178 k( 17) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0026178 k( 18) = ( 0.0000000 0.1700000 0.0000000), wk = 0.0026178 k( 19) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0026178 k( 20) = ( 0.0000000 0.1900000 0.0000000), wk = 0.0026178 k( 21) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0026178 k( 22) = ( 0.0000000 0.2100000 0.0000000), wk = 0.0026178 k( 23) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0026178 k( 24) = ( 0.0000000 0.2300000 0.0000000), wk = 0.0026178 k( 25) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0026178 k( 26) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0026178 k( 27) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0026178 k( 28) = ( 0.0000000 0.2700000 0.0000000), wk = 0.0026178 k( 29) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0026178 k( 30) = ( 0.0000000 0.2900000 0.0000000), wk = 0.0026178 k( 31) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0026178 k( 32) = ( 0.0000000 0.3100000 0.0000000), wk = 0.0026178 k( 33) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0026178 k( 34) = ( 0.0000000 0.3300000 0.0000000), wk = 0.0026178 k( 35) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0026178 k( 36) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0026178 k( 37) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0026178 k( 38) = ( 0.0000000 0.3700000 0.0000000), wk = 0.0026178 k( 39) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0026178 k( 40) = ( 0.0000000 0.3900000 0.0000000), wk = 0.0026178 k( 41) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0026178 k( 42) = ( 0.0000000 0.4100000 0.0000000), wk = 0.0026178 k( 43) = ( 0.0000000 0.4200000 0.0000000), wk = 0.0026178 k( 44) = ( 0.0000000 0.4300000 0.0000000), wk = 0.0026178 k( 45) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0026178 k( 46) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0026178 k( 47) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0026178 k( 48) = ( 0.0000000 0.4700000 0.0000000), wk = 0.0026178 k( 49) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0026178 k( 50) = ( 0.0000000 0.4900000 0.0000000), wk = 0.0026178 k( 51) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 52) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 53) = ( 0.0100000 0.5000000 0.0000000), wk = 0.0026178 k( 54) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0026178 k( 55) = ( 0.0300000 0.5000000 0.0000000), wk = 0.0026178 k( 56) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0026178 k( 57) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0026178 k( 58) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0026178 k( 59) = ( 0.0700000 0.5000000 0.0000000), wk = 0.0026178 k( 60) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0026178 k( 61) = ( 0.0900000 0.5000000 0.0000000), wk = 0.0026178 k( 62) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0026178 k( 63) = ( 0.1100000 0.5000000 0.0000000), wk = 0.0026178 k( 64) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0026178 k( 65) = ( 0.1300000 0.5000000 0.0000000), wk = 0.0026178 k( 66) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0026178 k( 67) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0026178 k( 68) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0026178 k( 69) = ( 0.1700000 0.5000000 0.0000000), wk = 0.0026178 k( 70) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0026178 k( 71) = ( 0.1900000 0.5000000 0.0000000), wk = 0.0026178 k( 72) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0026178 k( 73) = ( 0.2100000 0.5000000 0.0000000), wk = 0.0026178 k( 74) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0026178 k( 75) = ( 0.2300000 0.5000000 0.0000000), wk = 0.0026178 k( 76) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0026178 k( 77) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0026178 k( 78) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0026178 k( 79) = ( 0.2700000 0.5000000 0.0000000), wk = 0.0026178 k( 80) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0026178 k( 81) = ( 0.2900000 0.5000000 0.0000000), wk = 0.0026178 k( 82) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0026178 k( 83) = ( 0.3100000 0.5000000 0.0000000), wk = 0.0026178 k( 84) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0026178 k( 85) = ( 0.3300000 0.5000000 0.0000000), wk = 0.0026178 k( 86) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0026178 k( 87) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0026178 k( 88) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0026178 k( 89) = ( 0.3700000 0.5000000 0.0000000), wk = 0.0026178 k( 90) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0026178 k( 91) = ( 0.3900000 0.5000000 0.0000000), wk = 0.0026178 k( 92) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0026178 k( 93) = ( 0.4100000 0.5000000 0.0000000), wk = 0.0026178 k( 94) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0026178 k( 95) = ( 0.4300000 0.5000000 0.0000000), wk = 0.0026178 k( 96) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0026178 k( 97) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0026178 k( 98) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0026178 k( 99) = ( 0.4700000 0.5000000 0.0000000), wk = 0.0026178 k( 100) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0026178 k( 101) = ( 0.4900000 0.5000000 0.0000000), wk = 0.0026178 k( 102) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026178 k( 103) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026178 k( 104) = ( 0.4928571 0.4928571 0.0000000), wk = 0.0026178 k( 105) = ( 0.4857143 0.4857143 0.0000000), wk = 0.0026178 k( 106) = ( 0.4785714 0.4785714 0.0000000), wk = 0.0026178 k( 107) = ( 0.4714286 0.4714286 0.0000000), wk = 0.0026178 k( 108) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0026178 k( 109) = ( 0.4571429 0.4571429 0.0000000), wk = 0.0026178 k( 110) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0026178 k( 111) = ( 0.4428571 0.4428571 0.0000000), wk = 0.0026178 k( 112) = ( 0.4357143 0.4357143 0.0000000), wk = 0.0026178 k( 113) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0026178 k( 114) = ( 0.4214286 0.4214286 0.0000000), wk = 0.0026178 k( 115) = ( 0.4142857 0.4142857 0.0000000), wk = 0.0026178 k( 116) = ( 0.4071429 0.4071429 0.0000000), wk = 0.0026178 k( 117) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0026178 k( 118) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0026178 k( 119) = ( 0.3857143 0.3857143 0.0000000), wk = 0.0026178 k( 120) = ( 0.3785714 0.3785714 -0.0000000), wk = 0.0026178 k( 121) = ( 0.3714286 0.3714286 0.0000000), wk = 0.0026178 k( 122) = ( 0.3642857 0.3642857 -0.0000000), wk = 0.0026178 k( 123) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0026178 k( 124) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0026178 k( 125) = ( 0.3428571 0.3428571 0.0000000), wk = 0.0026178 k( 126) = ( 0.3357143 0.3357143 0.0000000), wk = 0.0026178 k( 127) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0026178 k( 128) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0026178 k( 129) = ( 0.3142857 0.3142857 0.0000000), wk = 0.0026178 k( 130) = ( 0.3071429 0.3071429 -0.0000000), wk = 0.0026178 k( 131) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0026178 k( 132) = ( 0.2928571 0.2928571 -0.0000000), wk = 0.0026178 k( 133) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0026178 k( 134) = ( 0.2785714 0.2785714 -0.0000000), wk = 0.0026178 k( 135) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0026178 k( 136) = ( 0.2642857 0.2642857 0.0000000), wk = 0.0026178 k( 137) = ( 0.2571429 0.2571429 0.0000000), wk = 0.0026178 k( 138) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0026178 k( 139) = ( 0.2428571 0.2428571 0.0000000), wk = 0.0026178 k( 140) = ( 0.2357143 0.2357143 0.0000000), wk = 0.0026178 k( 141) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0026178 k( 142) = ( 0.2214286 0.2214286 0.0000000), wk = 0.0026178 k( 143) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0026178 k( 144) = ( 0.2071429 0.2071429 -0.0000000), wk = 0.0026178 k( 145) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0026178 k( 146) = ( 0.1928571 0.1928571 -0.0000000), wk = 0.0026178 k( 147) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0026178 k( 148) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0026178 k( 149) = ( 0.1714286 0.1714286 0.0000000), wk = 0.0026178 k( 150) = ( 0.1642857 0.1642857 0.0000000), wk = 0.0026178 k( 151) = ( 0.1571429 0.1571429 0.0000000), wk = 0.0026178 k( 152) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0026178 k( 153) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0026178 k( 154) = ( 0.1357143 0.1357143 0.0000000), wk = 0.0026178 k( 155) = ( 0.1285714 0.1285714 0.0000000), wk = 0.0026178 k( 156) = ( 0.1214286 0.1214286 0.0000000), wk = 0.0026178 k( 157) = ( 0.1142857 0.1142857 0.0000000), wk = 0.0026178 k( 158) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0026178 k( 159) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0026178 k( 160) = ( 0.0928571 0.0928571 -0.0000000), wk = 0.0026178 k( 161) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0026178 k( 162) = ( 0.0785714 0.0785714 0.0000000), wk = 0.0026178 k( 163) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0026178 k( 164) = ( 0.0642857 0.0642857 0.0000000), wk = 0.0026178 k( 165) = ( 0.0571429 0.0571429 0.0000000), wk = 0.0026178 k( 166) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0026178 k( 167) = ( 0.0428571 0.0428571 0.0000000), wk = 0.0026178 k( 168) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0026178 k( 169) = ( 0.0285714 0.0285714 0.0000000), wk = 0.0026178 k( 170) = ( 0.0214286 0.0214286 0.0000000), wk = 0.0026178 k( 171) = ( 0.0142857 0.0142857 0.0000000), wk = 0.0026178 k( 172) = ( 0.0071429 0.0071429 0.0000000), wk = 0.0026178 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 175) = ( 0.0058140 0.0058140 0.0058140), wk = 0.0026178 k( 176) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0026178 k( 177) = ( 0.0174419 0.0174419 0.0174419), wk = 0.0026178 k( 178) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0026178 k( 179) = ( 0.0290698 0.0290698 0.0290698), wk = 0.0026178 k( 180) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0026178 k( 181) = ( 0.0406977 0.0406977 0.0406977), wk = 0.0026178 k( 182) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0026178 k( 183) = ( 0.0523256 0.0523256 0.0523256), wk = 0.0026178 k( 184) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0026178 k( 185) = ( 0.0639535 0.0639535 0.0639535), wk = 0.0026178 k( 186) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0026178 k( 187) = ( 0.0755814 0.0755814 0.0755814), wk = 0.0026178 k( 188) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0026178 k( 189) = ( 0.0872093 0.0872093 0.0872093), wk = 0.0026178 k( 190) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0026178 k( 191) = ( 0.0988372 0.0988372 0.0988372), wk = 0.0026178 k( 192) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0026178 k( 193) = ( 0.1104651 0.1104651 0.1104651), wk = 0.0026178 k( 194) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0026178 k( 195) = ( 0.1220930 0.1220930 0.1220930), wk = 0.0026178 k( 196) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0026178 k( 197) = ( 0.1337209 0.1337209 0.1337209), wk = 0.0026178 k( 198) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0026178 k( 199) = ( 0.1453488 0.1453488 0.1453488), wk = 0.0026178 k( 200) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0026178 k( 201) = ( 0.1569767 0.1569767 0.1569767), wk = 0.0026178 k( 202) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0026178 k( 203) = ( 0.1686046 0.1686046 0.1686046), wk = 0.0026178 k( 204) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0026178 k( 205) = ( 0.1802326 0.1802326 0.1802326), wk = 0.0026178 k( 206) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0026178 k( 207) = ( 0.1918605 0.1918605 0.1918605), wk = 0.0026178 k( 208) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0026178 k( 209) = ( 0.2034884 0.2034884 0.2034884), wk = 0.0026178 k( 210) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0026178 k( 211) = ( 0.2151163 0.2151163 0.2151163), wk = 0.0026178 k( 212) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0026178 k( 213) = ( 0.2267442 0.2267442 0.2267442), wk = 0.0026178 k( 214) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0026178 k( 215) = ( 0.2383721 0.2383721 0.2383721), wk = 0.0026178 k( 216) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0026178 k( 217) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026178 k( 218) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0026178 k( 219) = ( 0.2616279 0.2616279 0.2616279), wk = 0.0026178 k( 220) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0026178 k( 221) = ( 0.2732558 0.2732558 0.2732558), wk = 0.0026178 k( 222) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0026178 k( 223) = ( 0.2848837 0.2848837 0.2848837), wk = 0.0026178 k( 224) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0026178 k( 225) = ( 0.2965116 0.2965116 0.2965116), wk = 0.0026178 k( 226) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0026178 k( 227) = ( 0.3081395 0.3081395 0.3081395), wk = 0.0026178 k( 228) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0026178 k( 229) = ( 0.3197674 0.3197674 0.3197674), wk = 0.0026178 k( 230) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0026178 k( 231) = ( 0.3313953 0.3313953 0.3313953), wk = 0.0026178 k( 232) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0026178 k( 233) = ( 0.3430233 0.3430233 0.3430233), wk = 0.0026178 k( 234) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0026178 k( 235) = ( 0.3546512 0.3546512 0.3546512), wk = 0.0026178 k( 236) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0026178 k( 237) = ( 0.3662791 0.3662791 0.3662791), wk = 0.0026178 k( 238) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0026178 k( 239) = ( 0.3779070 0.3779070 0.3779070), wk = 0.0026178 k( 240) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0026178 k( 241) = ( 0.3895349 0.3895349 0.3895349), wk = 0.0026178 k( 242) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0026178 k( 243) = ( 0.4011628 0.4011628 0.4011628), wk = 0.0026178 k( 244) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0026178 k( 245) = ( 0.4127907 0.4127907 0.4127907), wk = 0.0026178 k( 246) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0026178 k( 247) = ( 0.4244186 0.4244186 0.4244186), wk = 0.0026178 k( 248) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0026178 k( 249) = ( 0.4360465 0.4360465 0.4360465), wk = 0.0026178 k( 250) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0026178 k( 251) = ( 0.4476744 0.4476744 0.4476744), wk = 0.0026178 k( 252) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0026178 k( 253) = ( 0.4593023 0.4593023 0.4593023), wk = 0.0026178 k( 254) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0026178 k( 255) = ( 0.4709302 0.4709302 0.4709302), wk = 0.0026178 k( 256) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0026178 k( 257) = ( 0.4825581 0.4825581 0.4825581), wk = 0.0026178 k( 258) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0026178 k( 259) = ( 0.4941860 0.4941860 0.4941860), wk = 0.0026178 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 262) = ( 0.4928571 0.5000000 0.4928571), wk = 0.0026178 k( 263) = ( 0.4857143 0.5000000 0.4857143), wk = 0.0026178 k( 264) = ( 0.4785714 0.5000000 0.4785714), wk = 0.0026178 k( 265) = ( 0.4714286 0.5000000 0.4714286), wk = 0.0026178 k( 266) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0026178 k( 267) = ( 0.4571429 0.5000000 0.4571429), wk = 0.0026178 k( 268) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0026178 k( 269) = ( 0.4428571 0.5000000 0.4428571), wk = 0.0026178 k( 270) = ( 0.4357143 0.5000000 0.4357143), wk = 0.0026178 k( 271) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0026178 k( 272) = ( 0.4214286 0.5000000 0.4214286), wk = 0.0026178 k( 273) = ( 0.4142857 0.5000000 0.4142857), wk = 0.0026178 k( 274) = ( 0.4071429 0.5000000 0.4071429), wk = 0.0026178 k( 275) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0026178 k( 276) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0026178 k( 277) = ( 0.3857143 0.5000000 0.3857143), wk = 0.0026178 k( 278) = ( 0.3785714 0.5000000 0.3785714), wk = 0.0026178 k( 279) = ( 0.3714286 0.5000000 0.3714286), wk = 0.0026178 k( 280) = ( 0.3642857 0.5000000 0.3642857), wk = 0.0026178 k( 281) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0026178 k( 282) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0026178 k( 283) = ( 0.3428571 0.5000000 0.3428571), wk = 0.0026178 k( 284) = ( 0.3357143 0.5000000 0.3357143), wk = 0.0026178 k( 285) = ( 0.3285714 0.5000000 0.3285714), wk = 0.0026178 k( 286) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0026178 k( 287) = ( 0.3142857 0.5000000 0.3142857), wk = 0.0026178 k( 288) = ( 0.3071429 0.5000000 0.3071429), wk = 0.0026178 k( 289) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0026178 k( 290) = ( 0.2928571 0.5000000 0.2928571), wk = 0.0026178 k( 291) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0026178 k( 292) = ( 0.2785714 0.5000000 0.2785714), wk = 0.0026178 k( 293) = ( 0.2714286 0.5000000 0.2714286), wk = 0.0026178 k( 294) = ( 0.2642857 0.5000000 0.2642857), wk = 0.0026178 k( 295) = ( 0.2571429 0.5000000 0.2571429), wk = 0.0026178 k( 296) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0026178 k( 297) = ( 0.2428571 0.5000000 0.2428571), wk = 0.0026178 k( 298) = ( 0.2357143 0.5000000 0.2357143), wk = 0.0026178 k( 299) = ( 0.2285714 0.5000000 0.2285714), wk = 0.0026178 k( 300) = ( 0.2214286 0.5000000 0.2214286), wk = 0.0026178 k( 301) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0026178 k( 302) = ( 0.2071429 0.5000000 0.2071429), wk = 0.0026178 k( 303) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0026178 k( 304) = ( 0.1928571 0.5000000 0.1928571), wk = 0.0026178 k( 305) = ( 0.1857143 0.5000000 0.1857143), wk = 0.0026178 k( 306) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0026178 k( 307) = ( 0.1714286 0.5000000 0.1714286), wk = 0.0026178 k( 308) = ( 0.1642857 0.5000000 0.1642857), wk = 0.0026178 k( 309) = ( 0.1571429 0.5000000 0.1571429), wk = 0.0026178 k( 310) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0026178 k( 311) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0026178 k( 312) = ( 0.1357143 0.5000000 0.1357143), wk = 0.0026178 k( 313) = ( 0.1285714 0.5000000 0.1285714), wk = 0.0026178 k( 314) = ( 0.1214286 0.5000000 0.1214286), wk = 0.0026178 k( 315) = ( 0.1142857 0.5000000 0.1142857), wk = 0.0026178 k( 316) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0026178 k( 317) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0026178 k( 318) = ( 0.0928571 0.5000000 0.0928571), wk = 0.0026178 k( 319) = ( 0.0857143 0.5000000 0.0857143), wk = 0.0026178 k( 320) = ( 0.0785714 0.5000000 0.0785714), wk = 0.0026178 k( 321) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0026178 k( 322) = ( 0.0642857 0.5000000 0.0642857), wk = 0.0026178 k( 323) = ( 0.0571429 0.5000000 0.0571429), wk = 0.0026178 k( 324) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0026178 k( 325) = ( 0.0428571 0.5000000 0.0428571), wk = 0.0026178 k( 326) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0026178 k( 327) = ( 0.0285714 0.5000000 0.0285714), wk = 0.0026178 k( 328) = ( 0.0214286 0.5000000 0.0214286), wk = 0.0026178 k( 329) = ( 0.0142857 0.5000000 0.0142857), wk = 0.0026178 k( 330) = ( 0.0071429 0.5000000 0.0071429), wk = 0.0026178 k( 331) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 332) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026178 k( 333) = ( 0.5000000 0.5000000 0.0100000), wk = 0.0026178 k( 334) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0026178 k( 335) = ( 0.5000000 0.5000000 0.0300000), wk = 0.0026178 k( 336) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0026178 k( 337) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0026178 k( 338) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0026178 k( 339) = ( 0.5000000 0.5000000 0.0700000), wk = 0.0026178 k( 340) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0026178 k( 341) = ( 0.5000000 0.5000000 0.0900000), wk = 0.0026178 k( 342) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026178 k( 343) = ( 0.5000000 0.5000000 0.1100000), wk = 0.0026178 k( 344) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0026178 k( 345) = ( 0.5000000 0.5000000 0.1300000), wk = 0.0026178 k( 346) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0026178 k( 347) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0026178 k( 348) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0026178 k( 349) = ( 0.5000000 0.5000000 0.1700000), wk = 0.0026178 k( 350) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0026178 k( 351) = ( 0.5000000 0.5000000 0.1900000), wk = 0.0026178 k( 352) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026178 k( 353) = ( 0.5000000 0.5000000 0.2100000), wk = 0.0026178 k( 354) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0026178 k( 355) = ( 0.5000000 0.5000000 0.2300000), wk = 0.0026178 k( 356) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0026178 k( 357) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026178 k( 358) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0026178 k( 359) = ( 0.5000000 0.5000000 0.2700000), wk = 0.0026178 k( 360) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0026178 k( 361) = ( 0.5000000 0.5000000 0.2900000), wk = 0.0026178 k( 362) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026178 k( 363) = ( 0.5000000 0.5000000 0.3100000), wk = 0.0026178 k( 364) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0026178 k( 365) = ( 0.5000000 0.5000000 0.3300000), wk = 0.0026178 k( 366) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0026178 k( 367) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0026178 k( 368) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0026178 k( 369) = ( 0.5000000 0.5000000 0.3700000), wk = 0.0026178 k( 370) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0026178 k( 371) = ( 0.5000000 0.5000000 0.3900000), wk = 0.0026178 k( 372) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026178 k( 373) = ( 0.5000000 0.5000000 0.4100000), wk = 0.0026178 k( 374) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0026178 k( 375) = ( 0.5000000 0.5000000 0.4300000), wk = 0.0026178 k( 376) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0026178 k( 377) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0026178 k( 378) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0026178 k( 379) = ( 0.5000000 0.5000000 0.4700000), wk = 0.0026178 k( 380) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0026178 k( 381) = ( 0.5000000 0.5000000 0.4900000), wk = 0.0026178 k( 382) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 Dense grid: 33371 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 21247 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 166, 30) NL pseudopotentials 0.09 Mb ( 83, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 926) G-vector shells 0.00 Mb ( 224) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 166, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) The potential is recalculated from file : ./TiPt.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 12 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 2.9 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.5 secs Computing kpt #: 10 total cpu time spent up to now is 3.7 secs Computing kpt #: 11 total cpu time spent up to now is 3.9 secs Computing kpt #: 12 total cpu time spent up to now is 4.0 secs Computing kpt #: 13 total cpu time spent up to now is 4.2 secs Computing kpt #: 14 total cpu time spent up to now is 4.4 secs Computing kpt #: 15 total cpu time spent up to now is 4.5 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.9 secs Computing kpt #: 18 total cpu time spent up to now is 5.1 secs Computing kpt #: 19 total cpu time spent up to now is 5.2 secs Computing kpt #: 20 total cpu time spent up to now is 5.4 secs Computing kpt #: 21 total cpu time spent up to now is 5.6 secs Computing kpt #: 22 total cpu time spent up to now is 5.8 secs Computing kpt #: 23 total cpu time spent up to now is 6.0 secs Computing kpt #: 24 total cpu time spent up to now is 6.1 secs Computing kpt #: 25 total cpu time spent up to now is 6.9 secs Computing kpt #: 26 total cpu time spent up to now is 7.0 secs Computing kpt #: 27 total cpu time spent up to now is 7.2 secs Computing kpt #: 28 total cpu time spent up to now is 7.4 secs Computing kpt #: 29 total cpu time spent up to now is 7.6 secs Computing kpt #: 30 total cpu time spent up to now is 7.8 secs Computing kpt #: 31 total cpu time spent up to now is 8.0 secs Computing kpt #: 32 total cpu time spent up to now is 8.2 secs Computing kpt #: 33 total cpu time spent up to now is 8.4 secs Computing kpt #: 34 total cpu time spent up to now is 8.6 secs Computing kpt #: 35 total cpu time spent up to now is 8.9 secs Computing kpt #: 36 total cpu time spent up to now is 9.1 secs Computing kpt #: 37 total cpu time spent up to now is 9.3 secs Computing kpt #: 38 total cpu time spent up to now is 9.5 secs Computing kpt #: 39 total cpu time spent up to now is 9.6 secs Computing kpt #: 40 total cpu time spent up to now is 9.8 secs Computing kpt #: 41 total cpu time spent up to now is 10.0 secs Computing kpt #: 42 total cpu time spent up to now is 10.2 secs Computing kpt #: 43 total cpu time spent up to now is 10.4 secs Computing kpt #: 44 total cpu time spent up to now is 10.6 secs Computing kpt #: 45 total cpu time spent up to now is 10.8 secs Computing kpt #: 46 total cpu time spent up to now is 11.0 secs Computing kpt #: 47 total cpu time spent up to now is 11.2 secs Computing kpt #: 48 total cpu time spent up to now is 11.4 secs Computing kpt #: 49 total cpu time spent up to now is 11.6 secs Computing kpt #: 50 total cpu time spent up to now is 11.8 secs Computing kpt #: 51 total cpu time spent up to now is 12.0 secs Computing kpt #: 52 total cpu time spent up to now is 12.2 secs Computing kpt #: 53 total cpu time spent up to now is 12.4 secs Computing kpt #: 54 total cpu time spent up to now is 12.7 secs Computing kpt #: 55 total cpu time spent up to now is 12.9 secs Computing kpt #: 56 total cpu time spent up to now is 13.2 secs Computing kpt #: 57 total cpu time spent up to now is 13.4 secs Computing kpt #: 58 total cpu time spent up to now is 13.7 secs Computing kpt #: 59 total cpu time spent up to now is 13.9 secs Computing kpt #: 60 total cpu time spent up to now is 14.1 secs Computing kpt #: 61 total cpu time spent up to now is 14.3 secs Computing kpt #: 62 total cpu time spent up to now is 14.5 secs Computing kpt #: 63 total cpu time spent up to now is 14.7 secs Computing kpt #: 64 total cpu time spent up to now is 14.9 secs Computing kpt #: 65 total cpu time spent up to now is 15.1 secs Computing kpt #: 66 total cpu time spent up to now is 15.4 secs Computing kpt #: 67 total cpu time spent up to now is 15.6 secs Computing kpt #: 68 total cpu time spent up to now is 15.8 secs Computing kpt #: 69 total cpu time spent up to now is 16.0 secs Computing kpt #: 70 total cpu time spent up to now is 16.2 secs Computing kpt #: 71 total cpu time spent up to now is 16.5 secs Computing kpt #: 72 total cpu time spent up to now is 16.7 secs Computing kpt #: 73 total cpu time spent up to now is 16.9 secs Computing kpt #: 74 total cpu time spent up to now is 17.1 secs Computing kpt #: 75 total cpu time spent up to now is 17.3 secs Computing kpt #: 76 total cpu time spent up to now is 17.5 secs Computing kpt #: 77 total cpu time spent up to now is 17.6 secs Computing kpt #: 78 total cpu time spent up to now is 17.8 secs Computing kpt #: 79 total cpu time spent up to now is 18.0 secs Computing kpt #: 80 total cpu time spent up to now is 18.2 secs Computing kpt #: 81 total cpu time spent up to now is 18.4 secs Computing kpt #: 82 total cpu time spent up to now is 18.7 secs Computing kpt #: 83 total cpu time spent up to now is 18.8 secs Computing kpt #: 84 total cpu time spent up to now is 19.0 secs Computing kpt #: 85 total cpu time spent up to now is 19.3 secs Computing kpt #: 86 total cpu time spent up to now is 19.5 secs Computing kpt #: 87 total cpu time spent up to now is 19.8 secs Computing kpt #: 88 total cpu time spent up to now is 20.0 secs Computing kpt #: 89 total cpu time spent up to now is 20.2 secs Computing kpt #: 90 total cpu time spent up to now is 20.5 secs Computing kpt #: 91 total cpu time spent up to now is 20.8 secs Computing kpt #: 92 total cpu time spent up to now is 21.1 secs Computing kpt #: 93 total cpu time spent up to now is 21.3 secs Computing kpt #: 94 total cpu time spent up to now is 21.6 secs Computing kpt #: 95 total cpu time spent up to now is 21.9 secs Computing kpt #: 96 total cpu time spent up to now is 22.1 secs Computing kpt #: 97 total cpu time spent up to now is 22.4 secs Computing kpt #: 98 total cpu time spent up to now is 22.7 secs Computing kpt #: 99 total cpu time spent up to now is 23.0 secs Computing kpt #: 100 total cpu time spent up to now is 23.2 secs Computing kpt #: 101 total cpu time spent up to now is 23.5 secs Computing kpt #: 102 total cpu time spent up to now is 23.7 secs Computing kpt #: 103 total cpu time spent up to now is 24.0 secs Computing kpt #: 104 total cpu time spent up to now is 24.3 secs Computing kpt #: 105 total cpu time spent up to now is 24.5 secs Computing kpt #: 106 total cpu time spent up to now is 24.8 secs Computing kpt #: 107 total cpu time spent up to now is 25.0 secs Computing kpt #: 108 total cpu time spent up to now is 25.3 secs Computing kpt #: 109 total cpu time spent up to now is 25.6 secs Computing kpt #: 110 total cpu time spent up to now is 25.8 secs Computing kpt #: 111 total cpu time spent up to now is 26.1 secs Computing kpt #: 112 total cpu time spent up to now is 26.4 secs Computing kpt #: 113 total cpu time spent up to now is 26.6 secs Computing kpt #: 114 total cpu time spent up to now is 26.9 secs Computing kpt #: 115 total cpu time spent up to now is 27.2 secs Computing kpt #: 116 total cpu time spent up to now is 27.5 secs Computing kpt #: 117 total cpu time spent up to now is 27.7 secs Computing kpt #: 118 total cpu time spent up to now is 28.0 secs Computing kpt #: 119 total cpu time spent up to now is 28.2 secs Computing kpt #: 120 total cpu time spent up to now is 28.4 secs Computing kpt #: 121 total cpu time spent up to now is 28.7 secs Computing kpt #: 122 total cpu time spent up to now is 28.9 secs Computing kpt #: 123 total cpu time spent up to now is 29.1 secs Computing kpt #: 124 total cpu time spent up to now is 29.3 secs Computing kpt #: 125 total cpu time spent up to now is 29.5 secs Computing kpt #: 126 total cpu time spent up to now is 29.7 secs Computing kpt #: 127 total cpu time spent up to now is 29.9 secs Computing kpt #: 128 total cpu time spent up to now is 30.2 secs Computing kpt #: 129 total cpu time spent up to now is 30.4 secs Computing kpt #: 130 total cpu time spent up to now is 30.6 secs Computing kpt #: 131 total cpu time spent up to now is 30.8 secs Computing kpt #: 132 total cpu time spent up to now is 31.0 secs Computing kpt #: 133 total cpu time spent up to now is 31.2 secs Computing kpt #: 134 total cpu time spent up to now is 31.4 secs Computing kpt #: 135 total cpu time spent up to now is 31.6 secs Computing kpt #: 136 total cpu time spent up to now is 31.8 secs Computing kpt #: 137 total cpu time spent up to now is 32.0 secs Computing kpt #: 138 total cpu time spent up to now is 32.2 secs Computing kpt #: 139 total cpu time spent up to now is 32.4 secs Computing kpt #: 140 total cpu time spent up to now is 32.6 secs Computing kpt #: 141 total cpu time spent up to now is 32.7 secs Computing kpt #: 142 total cpu time spent up to now is 32.9 secs Computing kpt #: 143 total cpu time spent up to now is 33.1 secs Computing kpt #: 144 total cpu time spent up to now is 33.3 secs Computing kpt #: 145 total cpu time spent up to now is 33.4 secs Computing kpt #: 146 total cpu time spent up to now is 33.6 secs Computing kpt #: 147 total cpu time spent up to now is 33.8 secs Computing kpt #: 148 total cpu time spent up to now is 34.0 secs Computing kpt #: 149 total cpu time spent up to now is 34.2 secs Computing kpt #: 150 total cpu time spent up to now is 34.3 secs Computing kpt #: 151 total cpu time spent up to now is 34.5 secs Computing kpt #: 152 total cpu time spent up to now is 34.7 secs Computing kpt #: 153 total cpu time spent up to now is 34.8 secs Computing kpt #: 154 total cpu time spent up to now is 35.0 secs Computing kpt #: 155 total cpu time spent up to now is 35.2 secs Computing kpt #: 156 total cpu time spent up to now is 35.3 secs Computing kpt #: 157 total cpu time spent up to now is 35.5 secs Computing kpt #: 158 total cpu time spent up to now is 35.7 secs Computing kpt #: 159 total cpu time spent up to now is 35.8 secs Computing kpt #: 160 total cpu time spent up to now is 36.0 secs Computing kpt #: 161 total cpu time spent up to now is 36.2 secs Computing kpt #: 162 total cpu time spent up to now is 36.3 secs Computing kpt #: 163 total cpu time spent up to now is 36.5 secs Computing kpt #: 164 total cpu time spent up to now is 36.7 secs Computing kpt #: 165 total cpu time spent up to now is 36.8 secs Computing kpt #: 166 total cpu time spent up to now is 37.0 secs Computing kpt #: 167 total cpu time spent up to now is 37.2 secs Computing kpt #: 168 total cpu time spent up to now is 37.3 secs Computing kpt #: 169 total cpu time spent up to now is 37.5 secs Computing kpt #: 170 total cpu time spent up to now is 37.6 secs Computing kpt #: 171 total cpu time spent up to now is 37.8 secs Computing kpt #: 172 total cpu time spent up to now is 37.9 secs Computing kpt #: 173 total cpu time spent up to now is 38.1 secs Computing kpt #: 174 total cpu time spent up to now is 38.2 secs Computing kpt #: 175 total cpu time spent up to now is 38.4 secs Computing kpt #: 176 total cpu time spent up to now is 38.6 secs Computing kpt #: 177 total cpu time spent up to now is 38.7 secs Computing kpt #: 178 total cpu time spent up to now is 38.9 secs Computing kpt #: 179 total cpu time spent up to now is 39.0 secs Computing kpt #: 180 total cpu time spent up to now is 39.2 secs Computing kpt #: 181 total cpu time spent up to now is 39.4 secs Computing kpt #: 182 total cpu time spent up to now is 39.5 secs Computing kpt #: 183 total cpu time spent up to now is 39.7 secs Computing kpt #: 184 total cpu time spent up to now is 39.9 secs Computing kpt #: 185 total cpu time spent up to now is 40.0 secs Computing kpt #: 186 total cpu time spent up to now is 40.2 secs Computing kpt #: 187 total cpu time spent up to now is 40.4 secs Computing kpt #: 188 total cpu time spent up to now is 40.5 secs Computing kpt #: 189 total cpu time spent up to now is 40.7 secs Computing kpt #: 190 total cpu time spent up to now is 40.9 secs Computing kpt #: 191 total cpu time spent up to now is 41.0 secs Computing kpt #: 192 total cpu time spent up to now is 41.2 secs Computing kpt #: 193 total cpu time spent up to now is 41.4 secs Computing kpt #: 194 total cpu time spent up to now is 41.5 secs Computing kpt #: 195 total cpu time spent up to now is 41.7 secs Computing kpt #: 196 total cpu time spent up to now is 41.9 secs Computing kpt #: 197 total cpu time spent up to now is 42.0 secs Computing kpt #: 198 total cpu time spent up to now is 42.2 secs Computing kpt #: 199 total cpu time spent up to now is 42.4 secs Computing kpt #: 200 total cpu time spent up to now is 42.5 secs Computing kpt #: 201 total cpu time spent up to now is 42.7 secs Computing kpt #: 202 total cpu time spent up to now is 42.9 secs Computing kpt #: 203 total cpu time spent up to now is 43.1 secs Computing kpt #: 204 total cpu time spent up to now is 43.2 secs Computing kpt #: 205 total cpu time spent up to now is 43.4 secs Computing kpt #: 206 total cpu time spent up to now is 43.6 secs Computing kpt #: 207 total cpu time spent up to now is 43.8 secs Computing kpt #: 208 total cpu time spent up to now is 43.9 secs Computing kpt #: 209 total cpu time spent up to now is 44.1 secs Computing kpt #: 210 total cpu time spent up to now is 44.3 secs Computing kpt #: 211 total cpu time spent up to now is 44.5 secs Computing kpt #: 212 total cpu time spent up to now is 44.6 secs Computing kpt #: 213 total cpu time spent up to now is 44.8 secs Computing kpt #: 214 total cpu time spent up to now is 45.0 secs Computing kpt #: 215 total cpu time spent up to now is 45.2 secs Computing kpt #: 216 total cpu time spent up to now is 45.4 secs Computing kpt #: 217 total cpu time spent up to now is 45.5 secs Computing kpt #: 218 total cpu time spent up to now is 45.7 secs Computing kpt #: 219 total cpu time spent up to now is 45.9 secs Computing kpt #: 220 total cpu time spent up to now is 46.1 secs Computing kpt #: 221 total cpu time spent up to now is 46.2 secs Computing kpt #: 222 total cpu time spent up to now is 46.6 secs Computing kpt #: 223 total cpu time spent up to now is 46.8 secs Computing kpt #: 224 total cpu time spent up to now is 47.0 secs Computing kpt #: 225 total cpu time spent up to now is 47.1 secs Computing kpt #: 226 total cpu time spent up to now is 47.3 secs Computing kpt #: 227 total cpu time spent up to now is 47.5 secs Computing kpt #: 228 total cpu time spent up to now is 47.7 secs Computing kpt #: 229 total cpu time spent up to now is 47.9 secs Computing kpt #: 230 total cpu time spent up to now is 48.1 secs Computing kpt #: 231 total cpu time spent up to now is 48.3 secs Computing kpt #: 232 total cpu time spent up to now is 48.5 secs Computing kpt #: 233 total cpu time spent up to now is 48.7 secs Computing kpt #: 234 total cpu time spent up to now is 48.9 secs Computing kpt #: 235 total cpu time spent up to now is 49.1 secs Computing kpt #: 236 total cpu time spent up to now is 49.3 secs Computing kpt #: 237 total cpu time spent up to now is 49.5 secs Computing kpt #: 238 total cpu time spent up to now is 49.7 secs Computing kpt #: 239 total cpu time spent up to now is 49.9 secs Computing kpt #: 240 total cpu time spent up to now is 50.1 secs Computing kpt #: 241 total cpu time spent up to now is 50.3 secs Computing kpt #: 242 total cpu time spent up to now is 50.5 secs Computing kpt #: 243 total cpu time spent up to now is 50.7 secs Computing kpt #: 244 total cpu time spent up to now is 50.9 secs Computing kpt #: 245 total cpu time spent up to now is 51.1 secs Computing kpt #: 246 total cpu time spent up to now is 51.2 secs Computing kpt #: 247 total cpu time spent up to now is 51.6 secs Computing kpt #: 248 total cpu time spent up to now is 51.8 secs Computing kpt #: 249 total cpu time spent up to now is 52.0 secs Computing kpt #: 250 total cpu time spent up to now is 52.2 secs Computing kpt #: 251 total cpu time spent up to now is 52.3 secs Computing kpt #: 252 total cpu time spent up to now is 52.5 secs Computing kpt #: 253 total cpu time spent up to now is 52.7 secs Computing kpt #: 254 total cpu time spent up to now is 52.9 secs Computing kpt #: 255 total cpu time spent up to now is 53.1 secs Computing kpt #: 256 total cpu time spent up to now is 53.2 secs Computing kpt #: 257 total cpu time spent up to now is 53.4 secs Computing kpt #: 258 total cpu time spent up to now is 53.6 secs Computing kpt #: 259 total cpu time spent up to now is 53.8 secs Computing kpt #: 260 total cpu time spent up to now is 54.0 secs Computing kpt #: 261 total cpu time spent up to now is 54.1 secs Computing kpt #: 262 total cpu time spent up to now is 54.3 secs Computing kpt #: 263 total cpu time spent up to now is 54.5 secs Computing kpt #: 264 total cpu time spent up to now is 54.7 secs Computing kpt #: 265 total cpu time spent up to now is 54.9 secs Computing kpt #: 266 total cpu time spent up to now is 55.0 secs Computing kpt #: 267 total cpu time spent up to now is 55.2 secs Computing kpt #: 268 total cpu time spent up to now is 55.4 secs Computing kpt #: 269 total cpu time spent up to now is 55.6 secs Computing kpt #: 270 total cpu time spent up to now is 55.8 secs Computing kpt #: 271 total cpu time spent up to now is 56.0 secs Computing kpt #: 272 total cpu time spent up to now is 56.1 secs Computing kpt #: 273 total cpu time spent up to now is 56.3 secs Computing kpt #: 274 total cpu time spent up to now is 56.6 secs Computing kpt #: 275 total cpu time spent up to now is 56.8 secs Computing kpt #: 276 total cpu time spent up to now is 57.0 secs Computing kpt #: 277 total cpu time spent up to now is 57.2 secs Computing kpt #: 278 total cpu time spent up to now is 57.4 secs Computing kpt #: 279 total cpu time spent up to now is 57.7 secs Computing kpt #: 280 total cpu time spent up to now is 57.9 secs Computing kpt #: 281 total cpu time spent up to now is 58.1 secs Computing kpt #: 282 total cpu time spent up to now is 58.3 secs Computing kpt #: 283 total cpu time spent up to now is 58.6 secs Computing kpt #: 284 total cpu time spent up to now is 58.8 secs Computing kpt #: 285 total cpu time spent up to now is 59.1 secs Computing kpt #: 286 total cpu time spent up to now is 59.2 secs Computing kpt #: 287 total cpu time spent up to now is 59.5 secs Computing kpt #: 288 total cpu time spent up to now is 59.7 secs Computing kpt #: 289 total cpu time spent up to now is 59.9 secs Computing kpt #: 290 total cpu time spent up to now is 60.2 secs Computing kpt #: 291 total cpu time spent up to now is 60.4 secs Computing kpt #: 292 total cpu time spent up to now is 60.6 secs Computing kpt #: 293 total cpu time spent up to now is 60.8 secs Computing kpt #: 294 total cpu time spent up to now is 61.0 secs Computing kpt #: 295 total cpu time spent up to now is 61.2 secs Computing kpt #: 296 total cpu time spent up to now is 61.4 secs Computing kpt #: 297 total cpu time spent up to now is 61.6 secs Computing kpt #: 298 total cpu time spent up to now is 61.9 secs Computing kpt #: 299 total cpu time spent up to now is 62.0 secs Computing kpt #: 300 total cpu time spent up to now is 62.3 secs Computing kpt #: 301 total cpu time spent up to now is 62.4 secs Computing kpt #: 302 total cpu time spent up to now is 62.6 secs Computing kpt #: 303 total cpu time spent up to now is 62.9 secs Computing kpt #: 304 total cpu time spent up to now is 63.1 secs Computing kpt #: 305 total cpu time spent up to now is 63.3 secs Computing kpt #: 306 total cpu time spent up to now is 63.5 secs Computing kpt #: 307 total cpu time spent up to now is 63.7 secs Computing kpt #: 308 total cpu time spent up to now is 64.0 secs Computing kpt #: 309 total cpu time spent up to now is 64.2 secs Computing kpt #: 310 total cpu time spent up to now is 64.4 secs Computing kpt #: 311 total cpu time spent up to now is 64.6 secs Computing kpt #: 312 total cpu time spent up to now is 64.8 secs Computing kpt #: 313 total cpu time spent up to now is 65.0 secs Computing kpt #: 314 total cpu time spent up to now is 65.2 secs Computing kpt #: 315 total cpu time spent up to now is 65.5 secs Computing kpt #: 316 total cpu time spent up to now is 65.7 secs Computing kpt #: 317 total cpu time spent up to now is 65.9 secs Computing kpt #: 318 total cpu time spent up to now is 66.1 secs Computing kpt #: 319 total cpu time spent up to now is 66.3 secs Computing kpt #: 320 total cpu time spent up to now is 66.6 secs Computing kpt #: 321 total cpu time spent up to now is 66.8 secs Computing kpt #: 322 total cpu time spent up to now is 67.0 secs Computing kpt #: 323 total cpu time spent up to now is 67.2 secs Computing kpt #: 324 total cpu time spent up to now is 67.5 secs Computing kpt #: 325 total cpu time spent up to now is 67.7 secs Computing kpt #: 326 total cpu time spent up to now is 67.9 secs Computing kpt #: 327 total cpu time spent up to now is 68.1 secs Computing kpt #: 328 total cpu time spent up to now is 68.4 secs Computing kpt #: 329 total cpu time spent up to now is 68.6 secs Computing kpt #: 330 total cpu time spent up to now is 68.8 secs Computing kpt #: 331 total cpu time spent up to now is 69.0 secs Computing kpt #: 332 total cpu time spent up to now is 69.3 secs Computing kpt #: 333 total cpu time spent up to now is 69.5 secs Computing kpt #: 334 total cpu time spent up to now is 69.8 secs Computing kpt #: 335 total cpu time spent up to now is 70.0 secs Computing kpt #: 336 total cpu time spent up to now is 70.3 secs Computing kpt #: 337 total cpu time spent up to now is 70.6 secs Computing kpt #: 338 total cpu time spent up to now is 70.8 secs Computing kpt #: 339 total cpu time spent up to now is 71.1 secs Computing kpt #: 340 total cpu time spent up to now is 71.4 secs Computing kpt #: 341 total cpu time spent up to now is 71.7 secs Computing kpt #: 342 total cpu time spent up to now is 71.9 secs Computing kpt #: 343 total cpu time spent up to now is 72.2 secs Computing kpt #: 344 total cpu time spent up to now is 72.4 secs Computing kpt #: 345 total cpu time spent up to now is 72.7 secs Computing kpt #: 346 total cpu time spent up to now is 73.0 secs Computing kpt #: 347 total cpu time spent up to now is 73.2 secs Computing kpt #: 348 total cpu time spent up to now is 73.4 secs Computing kpt #: 349 total cpu time spent up to now is 73.7 secs Computing kpt #: 350 total cpu time spent up to now is 74.0 secs Computing kpt #: 351 total cpu time spent up to now is 74.2 secs Computing kpt #: 352 total cpu time spent up to now is 74.5 secs Computing kpt #: 353 total cpu time spent up to now is 74.7 secs Computing kpt #: 354 total cpu time spent up to now is 75.0 secs Computing kpt #: 355 total cpu time spent up to now is 75.2 secs Computing kpt #: 356 total cpu time spent up to now is 75.5 secs Computing kpt #: 357 total cpu time spent up to now is 75.7 secs Computing kpt #: 358 total cpu time spent up to now is 75.9 secs Computing kpt #: 359 total cpu time spent up to now is 76.2 secs Computing kpt #: 360 total cpu time spent up to now is 76.6 secs Computing kpt #: 361 total cpu time spent up to now is 76.8 secs Computing kpt #: 362 total cpu time spent up to now is 77.0 secs Computing kpt #: 363 total cpu time spent up to now is 77.3 secs Computing kpt #: 364 total cpu time spent up to now is 77.5 secs Computing kpt #: 365 total cpu time spent up to now is 77.7 secs Computing kpt #: 366 total cpu time spent up to now is 77.9 secs Computing kpt #: 367 total cpu time spent up to now is 78.1 secs Computing kpt #: 368 total cpu time spent up to now is 78.3 secs Computing kpt #: 369 total cpu time spent up to now is 78.5 secs Computing kpt #: 370 total cpu time spent up to now is 78.7 secs Computing kpt #: 371 total cpu time spent up to now is 78.9 secs Computing kpt #: 372 total cpu time spent up to now is 79.1 secs Computing kpt #: 373 total cpu time spent up to now is 79.3 secs Computing kpt #: 374 total cpu time spent up to now is 79.5 secs Computing kpt #: 375 total cpu time spent up to now is 79.7 secs Computing kpt #: 376 total cpu time spent up to now is 79.9 secs Computing kpt #: 377 total cpu time spent up to now is 80.1 secs Computing kpt #: 378 total cpu time spent up to now is 80.3 secs Computing kpt #: 379 total cpu time spent up to now is 80.4 secs Computing kpt #: 380 total cpu time spent up to now is 80.6 secs Computing kpt #: 381 total cpu time spent up to now is 80.8 secs Computing kpt #: 382 total cpu time spent up to now is 81.0 secs ethr = 4.55E-08, avg # of iterations = 21.4 total cpu time spent up to now is 81.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2601 PWs) bands (ev): -41.7574 -41.7574 -18.3557 -18.3557 -17.6934 -17.6934 -17.6934 -17.6934 7.2451 7.2451 10.1797 10.1797 10.1797 10.1797 12.6961 12.6961 12.6961 12.6961 13.3804 13.3804 16.5371 16.5371 16.5371 16.5371 18.0409 18.0409 18.0409 18.0409 18.2272 18.2272 k = 0.0000 0.0100-0.0000 ( 2601 PWs) bands (ev): -41.7574 -41.7574 -18.3558 -18.3558 -17.6935 -17.6935 -17.6934 -17.6934 7.2470 7.2470 10.1804 10.1804 10.1809 10.1809 12.6958 12.6958 12.6963 12.6963 13.3803 13.3803 16.5357 16.5357 16.5375 16.5375 18.0374 18.0374 18.0395 18.0395 18.2247 18.2247 k = 0.0000 0.0200-0.0000 ( 2621 PWs) bands (ev): -41.7574 -41.7574 -18.3559 -18.3559 -17.6938 -17.6938 -17.6934 -17.6934 7.2527 7.2527 10.1825 10.1825 10.1843 10.1843 12.6947 12.6947 12.6969 12.6969 13.3800 13.3800 16.5316 16.5316 16.5388 16.5388 18.0267 18.0267 18.0349 18.0349 18.2174 18.2174 k = 0.0000 0.0300-0.0000 ( 2625 PWs) bands (ev): -41.7573 -41.7573 -18.3561 -18.3561 -17.6943 -17.6943 -17.6933 -17.6933 7.2621 7.2621 10.1860 10.1860 10.1900 10.1900 12.6928 12.6928 12.6979 12.6979 13.3795 13.3795 16.5249 16.5249 16.5411 16.5411 18.0092 18.0092 18.0272 18.0272 18.2057 18.2057 k = 0.0000 0.0400-0.0000 ( 2633 PWs) bands (ev): -41.7572 -41.7572 -18.3564 -18.3564 -17.6951 -17.6951 -17.6933 -17.6933 7.2753 7.2753 10.1908 10.1908 10.1981 10.1981 12.6903 12.6903 12.6992 12.6992 13.3789 13.3789 16.5154 16.5154 16.5441 16.5441 17.9851 17.9851 18.0158 18.0158 18.1900 18.1900 k = 0.0000 0.0500-0.0000 ( 2645 PWs) bands (ev): -41.7571 -41.7571 -18.3568 -18.3568 -17.6960 -17.6960 -17.6932 -17.6932 7.2922 7.2922 10.1970 10.1970 10.2083 10.2083 12.6870 12.6870 12.7008 12.7008 13.3781 13.3781 16.5033 16.5033 16.5480 16.5480 17.9548 17.9548 18.0004 18.0004 18.1712 18.1712 k = 0.0000 0.0600-0.0000 ( 2645 PWs) bands (ev): -41.7569 -41.7569 -18.3573 -18.3573 -17.6972 -17.6972 -17.6931 -17.6931 7.3129 7.3129 10.2046 10.2046 10.2208 10.2208 12.6830 12.6830 12.7028 12.7028 13.3772 13.3772 16.4886 16.4886 16.5527 16.5527 17.9187 17.9187 17.9804 17.9804 18.1502 18.1502 k = 0.0000 0.0700-0.0000 ( 2637 PWs) bands (ev): -41.7568 -41.7568 -18.3579 -18.3579 -17.6985 -17.6985 -17.6930 -17.6930 7.3372 7.3372 10.2135 10.2135 10.2355 10.2355 12.6784 12.6784 12.7051 12.7051 13.3763 13.3763 16.4712 16.4712 16.5580 16.5580 17.8775 17.8775 17.9550 17.9550 18.1281 18.1281 k = 0.0000 0.0800-0.0000 ( 2637 PWs) bands (ev): -41.7565 -41.7565 -18.3585 -18.3585 -17.7000 -17.7000 -17.6929 -17.6929 7.3652 7.3652 10.2237 10.2237 10.2523 10.2523 12.6732 12.6732 12.7076 12.7076 13.3753 13.3753 16.4514 16.4514 16.5639 16.5639 17.8316 17.8316 17.9240 17.9240 18.1058 18.1058 k = 0.0000 0.0900-0.0000 ( 2637 PWs) bands (ev): -41.7563 -41.7563 -18.3592 -18.3592 -17.7017 -17.7017 -17.6928 -17.6928 7.3967 7.3967 10.2352 10.2352 10.2713 10.2713 12.6673 12.6673 12.7104 12.7104 13.3744 13.3744 16.4291 16.4291 16.5703 16.5703 17.7816 17.7816 17.8872 17.8872 18.0836 18.0836 k = 0.0000 0.1000-0.0000 ( 2645 PWs) bands (ev): -41.7561 -41.7561 -18.3600 -18.3600 -17.7036 -17.7036 -17.6927 -17.6927 7.4319 7.4319 10.2480 10.2480 10.2923 10.2923 12.6608 12.6608 12.7133 12.7133 13.3736 13.3736 16.4043 16.4043 16.5772 16.5772 17.7282 17.7282 17.8451 17.8451 18.0619 18.0619 k = 0.0000 0.1100-0.0000 ( 2641 PWs) bands (ev): -41.7558 -41.7558 -18.3609 -18.3609 -17.7056 -17.7056 -17.6925 -17.6925 7.4705 7.4705 10.2621 10.2621 10.3153 10.3153 12.6538 12.6538 12.7163 12.7163 13.3730 13.3730 16.3772 16.3772 16.5842 16.5842 17.6718 17.6718 17.7982 17.7982 18.0404 18.0404 k = 0.0000 0.1200-0.0000 ( 2637 PWs) bands (ev): -41.7555 -41.7555 -18.3619 -18.3619 -17.7078 -17.7078 -17.6924 -17.6924 7.5126 7.5126 10.2773 10.2773 10.3403 10.3403 12.6463 12.6463 12.7194 12.7194 13.3726 13.3726 16.3478 16.3478 16.5914 16.5914 17.6130 17.6130 17.7472 17.7472 18.0190 18.0190 k = 0.0000 0.1300-0.0000 ( 2649 PWs) bands (ev): -41.7552 -41.7552 -18.3629 -18.3629 -17.7101 -17.7101 -17.6922 -17.6922 7.5580 7.5580 10.2938 10.2938 10.3671 10.3671 12.6384 12.6384 12.7225 12.7225 13.3725 13.3725 16.3163 16.3163 16.5984 16.5984 17.5523 17.5523 17.6929 17.6929 17.9975 17.9975 k = 0.0000 0.1400-0.0000 ( 2649 PWs) bands (ev): -41.7549 -41.7549 -18.3641 -18.3641 -17.7126 -17.7126 -17.6921 -17.6921 7.6068 7.6068 10.3114 10.3114 10.3958 10.3958 12.6300 12.6300 12.7256 12.7256 13.3728 13.3728 16.2826 16.2826 16.6052 16.6052 17.4904 17.4904 17.6359 17.6359 17.9756 17.9756 k = 0.0000 0.1500-0.0000 ( 2653 PWs) bands (ev): -41.7545 -41.7545 -18.3652 -18.3652 -17.7151 -17.7151 -17.6919 -17.6919 7.6588 7.6588 10.3301 10.3301 10.4263 10.4263 12.6212 12.6212 12.7285 12.7285 13.3735 13.3735 16.2469 16.2469 16.6113 16.6113 17.4275 17.4275 17.5768 17.5768 17.9532 17.9532 k = 0.0000 0.1600-0.0000 ( 2653 PWs) bands (ev): -41.7541 -41.7541 -18.3665 -18.3665 -17.7178 -17.7178 -17.6917 -17.6917 7.7139 7.7139 10.3499 10.3499 10.4584 10.4584 12.6121 12.6121 12.7314 12.7314 13.3748 13.3748 16.2093 16.2093 16.6165 16.6165 17.3643 17.3643 17.5161 17.5161 17.9303 17.9303 k = 0.0000 0.1700-0.0000 ( 2653 PWs) bands (ev): -41.7537 -41.7537 -18.3678 -18.3678 -17.7206 -17.7206 -17.6915 -17.6915 7.7720 7.7720 10.3707 10.3707 10.4921 10.4921 12.6026 12.6026 12.7340 12.7340 13.3767 13.3767 16.1699 16.1699 16.6205 16.6205 17.3011 17.3011 17.4542 17.4542 17.9068 17.9068 k = 0.0000 0.1800-0.0000 ( 2653 PWs) bands (ev): -41.7533 -41.7533 -18.3692 -18.3692 -17.7234 -17.7234 -17.6913 -17.6913 7.8330 7.8330 10.3924 10.3924 10.5273 10.5273 12.5930 12.5930 12.7364 12.7364 13.3792 13.3792 16.1289 16.1289 16.6228 16.6228 17.2385 17.2385 17.3915 17.3915 17.8828 17.8828 k = 0.0000 0.1900-0.0000 ( 2653 PWs) bands (ev): -41.7529 -41.7529 -18.3706 -18.3706 -17.7263 -17.7263 -17.6911 -17.6911 7.8968 7.8968 10.4151 10.4151 10.5639 10.5639 12.5831 12.5831 12.7386 12.7386 13.3824 13.3824 16.0862 16.0862 16.6228 16.6228 17.1769 17.1769 17.3284 17.3284 17.8581 17.8581 k = 0.0000 0.2000-0.0000 ( 2661 PWs) bands (ev): -41.7525 -41.7525 -18.3721 -18.3721 -17.7293 -17.7293 -17.6909 -17.6909 7.9633 7.9633 10.4386 10.4386 10.6019 10.6019 12.5730 12.5730 12.7404 12.7404 13.3864 13.3864 16.0421 16.0421 16.6201 16.6201 17.1169 17.1169 17.2652 17.2652 17.8330 17.8330 k = 0.0000 0.2100-0.0000 ( 2669 PWs) bands (ev): -41.7521 -41.7521 -18.3736 -18.3736 -17.7323 -17.7323 -17.6906 -17.6906 8.0322 8.0322 10.4628 10.4628 10.6412 10.6412 12.5629 12.5629 12.7419 12.7419 13.3912 13.3912 15.9967 15.9967 16.6138 16.6138 17.0590 17.0590 17.2022 17.2022 17.8074 17.8074 k = 0.0000 0.2200-0.0000 ( 2669 PWs) bands (ev): -41.7517 -41.7517 -18.3752 -18.3752 -17.7354 -17.7354 -17.6904 -17.6904 8.1036 8.1036 10.4878 10.4878 10.6816 10.6816 12.5526 12.5526 12.7430 12.7430 13.3968 13.3968 15.9501 15.9501 16.6032 16.6032 17.0037 17.0037 17.1397 17.1397 17.7813 17.7813 k = 0.0000 0.2300-0.0000 ( 2669 PWs) bands (ev): -41.7512 -41.7512 -18.3768 -18.3768 -17.7384 -17.7384 -17.6902 -17.6902 8.1771 8.1771 10.5134 10.5134 10.7232 10.7232 12.5423 12.5423 12.7438 12.7438 13.4032 13.4032 15.9025 15.9025 16.5875 16.5875 16.9516 16.9516 17.0778 17.0778 17.7550 17.7550 k = 0.0000 0.2400-0.0000 ( 2669 PWs) bands (ev): -41.7508 -41.7508 -18.3785 -18.3785 -17.7415 -17.7415 -17.6900 -17.6900 8.2525 8.2525 10.5396 10.5396 10.7657 10.7657 12.5320 12.5320 12.7443 12.7443 13.4104 13.4104 15.8540 15.8540 16.5662 16.5662 16.9028 16.9028 17.0168 17.0168 17.7283 17.7283 k = 0.0000 0.2500-0.0000 ( 2669 PWs) bands (ev): -41.7503 -41.7503 -18.3801 -18.3801 -17.7445 -17.7445 -17.6897 -17.6897 8.3298 8.3298 10.5662 10.5662 10.8093 10.8093 12.5217 12.5217 12.7444 12.7444 13.4184 13.4184 15.8047 15.8047 16.5389 16.5389 16.8573 16.8573 16.9570 16.9570 17.7015 17.7015 k = 0.0000 0.2600-0.0000 ( 2669 PWs) bands (ev): -41.7499 -41.7499 -18.3818 -18.3818 -17.7475 -17.7475 -17.6895 -17.6895 8.4086 8.4086 10.5932 10.5932 10.8536 10.8536 12.5114 12.5114 12.7443 12.7443 13.4272 13.4272 15.7549 15.7549 16.5058 16.5058 16.8144 16.8144 16.8984 16.8984 17.6745 17.6745 k = 0.0000 0.2700-0.0000 ( 2669 PWs) bands (ev): -41.7494 -41.7494 -18.3835 -18.3835 -17.7505 -17.7505 -17.6893 -17.6893 8.4887 8.4887 10.6205 10.6205 10.8989 10.8989 12.5012 12.5012 12.7438 12.7438 13.4367 13.4367 15.7047 15.7047 16.4676 16.4676 16.7731 16.7731 16.8412 16.8412 17.6476 17.6476 k = 0.0000 0.2800-0.0000 ( 2677 PWs) bands (ev): -41.7490 -41.7490 -18.3852 -18.3852 -17.7534 -17.7534 -17.6890 -17.6890 8.5698 8.5698 10.6480 10.6480 10.9448 10.9448 12.4910 12.4910 12.7432 12.7432 13.4469 13.4469 15.6543 15.6543 16.4251 16.4251 16.7320 16.7320 16.7856 16.7856 17.6207 17.6207 k = 0.0000 0.2900-0.0000 ( 2677 PWs) bands (ev): -41.7485 -41.7485 -18.3869 -18.3869 -17.7563 -17.7563 -17.6888 -17.6888 8.6517 8.6517 10.6755 10.6755 10.9915 10.9915 12.4808 12.4808 12.7423 12.7423 13.4577 13.4577 15.6038 15.6038 16.3792 16.3792 16.6898 16.6898 16.7316 16.7316 17.5940 17.5940 k = 0.0000 0.3000-0.0000 ( 2669 PWs) bands (ev): -41.7481 -41.7481 -18.3886 -18.3886 -17.7591 -17.7591 -17.6886 -17.6886 8.7340 8.7340 10.7030 10.7030 11.0389 11.0389 12.4706 12.4706 12.7413 12.7413 13.4690 13.4690 15.5534 15.5534 16.3308 16.3308 16.6455 16.6455 16.6796 16.6796 17.5676 17.5676 k = 0.0000 0.3100-0.0000 ( 2661 PWs) bands (ev): -41.7477 -41.7477 -18.3903 -18.3903 -17.7619 -17.7619 -17.6884 -17.6884 8.8163 8.8163 10.7303 10.7303 11.0870 11.0870 12.4604 12.4604 12.7402 12.7402 13.4807 13.4807 15.5034 15.5034 16.2802 16.2802 16.5985 16.5985 16.6294 16.6294 17.5416 17.5416 k = 0.0000 0.3200-0.0000 ( 2665 PWs) bands (ev): -41.7473 -41.7473 -18.3919 -18.3919 -17.7645 -17.7645 -17.6882 -17.6882 8.8983 8.8983 10.7573 10.7573 11.1356 11.1356 12.4501 12.4501 12.7391 12.7391 13.4928 13.4928 15.4539 15.4539 16.2276 16.2276 16.5487 16.5487 16.5813 16.5813 17.5161 17.5161 k = 0.0000 0.3300-0.0000 ( 2665 PWs) bands (ev): -41.7469 -41.7469 -18.3936 -18.3936 -17.7671 -17.7671 -17.6880 -17.6880 8.9797 8.9797 10.7839 10.7839 11.1849 11.1849 12.4397 12.4397 12.7380 12.7380 13.5052 13.5052 15.4051 15.4051 16.1728 16.1728 16.4965 16.4965 16.5353 16.5353 17.4912 17.4912 k = 0.0000 0.3400-0.0000 ( 2665 PWs) bands (ev): -41.7465 -41.7465 -18.3951 -18.3951 -17.7695 -17.7695 -17.6878 -17.6878 9.0599 9.0599 10.8100 10.8100 11.2349 11.2349 12.4290 12.4290 12.7369 12.7369 13.5177 13.5177 15.3573 15.3573 16.1157 16.1157 16.4428 16.4428 16.4916 16.4916 17.4670 17.4670 k = 0.0000 0.3500-0.0000 ( 2665 PWs) bands (ev): -41.7461 -41.7461 -18.3967 -18.3967 -17.7719 -17.7719 -17.6876 -17.6876 9.1385 9.1385 10.8354 10.8354 11.2855 11.2855 12.4180 12.4180 12.7358 12.7358 13.5304 13.5304 15.3106 15.3106 16.0556 16.0556 16.3888 16.3888 16.4501 16.4501 17.4436 17.4436 k = 0.0000 0.3600-0.0000 ( 2661 PWs) bands (ev): -41.7458 -41.7458 -18.3981 -18.3981 -17.7741 -17.7741 -17.6874 -17.6874 9.2150 9.2150 10.8600 10.8600 11.3367 11.3367 12.4065 12.4065 12.7349 12.7349 13.5429 13.5429 15.2654 15.2654 15.9922 15.9922 16.3359 16.3359 16.4110 16.4110 17.4211 17.4211 k = 0.0000 0.3700-0.0000 ( 2653 PWs) bands (ev): -41.7454 -41.7454 -18.3995 -18.3995 -17.7762 -17.7762 -17.6872 -17.6872 9.2891 9.2891 10.8836 10.8836 11.3886 11.3886 12.3944 12.3944 12.7341 12.7341 13.5553 13.5553 15.2217 15.2217 15.9255 15.9255 16.2855 16.2855 16.3743 16.3743 17.3996 17.3996 k = 0.0000 0.3800-0.0000 ( 2653 PWs) bands (ev): -41.7451 -41.7451 -18.4009 -18.4009 -17.7781 -17.7781 -17.6871 -17.6871 9.3600 9.3600 10.9062 10.9062 11.4411 11.4411 12.3814 12.3814 12.7335 12.7335 13.5675 13.5675 15.1799 15.1799 15.8556 15.8556 16.2385 16.2385 16.3401 16.3401 17.3792 17.3792 k = 0.0000 0.3900-0.0000 ( 2653 PWs) bands (ev): -41.7448 -41.7448 -18.4021 -18.4021 -17.7800 -17.7800 -17.6869 -17.6869 9.4275 9.4275 10.9276 10.9276 11.4941 11.4941 12.3674 12.3674 12.7330 12.7330 13.5793 13.5793 15.1402 15.1402 15.7834 15.7834 16.1956 16.1956 16.3085 16.3085 17.3601 17.3601 k = 0.0000 0.4000-0.0000 ( 2645 PWs) bands (ev): -41.7446 -41.7446 -18.4033 -18.4033 -17.7817 -17.7817 -17.6868 -17.6868 9.4909 9.4909 10.9476 10.9476 11.5475 11.5475 12.3522 12.3522 12.7326 12.7326 13.5906 13.5906 15.1029 15.1029 15.7101 15.7101 16.1571 16.1571 16.2794 16.2794 17.3423 17.3423 k = 0.0000 0.4100-0.0000 ( 2649 PWs) bands (ev): -41.7443 -41.7443 -18.4044 -18.4044 -17.7832 -17.7832 -17.6866 -17.6866 9.5498 9.5498 10.9661 10.9661 11.6013 11.6013 12.3355 12.3355 12.7324 12.7324 13.6012 13.6012 15.0682 15.0682 15.6373 15.6373 16.1229 16.1229 16.2530 16.2530 17.3258 17.3258 k = 0.0000 0.4200-0.0000 ( 2650 PWs) bands (ev): -41.7441 -41.7441 -18.4054 -18.4054 -17.7846 -17.7846 -17.6865 -17.6865 9.6038 9.6038 10.9831 10.9831 11.6552 11.6552 12.3171 12.3171 12.7323 12.7323 13.6112 13.6112 15.0362 15.0362 15.5665 15.5665 16.0929 16.0929 16.2293 16.2293 17.3109 17.3109 k = 0.0000 0.4300-0.0000 ( 2650 PWs) bands (ev): -41.7439 -41.7439 -18.4063 -18.4063 -17.7858 -17.7858 -17.6864 -17.6864 9.6524 9.6524 10.9983 10.9983 11.7089 11.7089 12.2967 12.2967 12.7323 12.7323 13.6203 13.6203 15.0074 15.0074 15.4994 15.4994 16.0668 16.0668 16.2082 16.2082 17.2975 17.2975 k = 0.0000 0.4400-0.0000 ( 2658 PWs) bands (ev): -41.7437 -41.7437 -18.4071 -18.4071 -17.7869 -17.7869 -17.6863 -17.6863 9.6953 9.6953 11.0118 11.0118 11.7621 11.7621 12.2741 12.2741 12.7323 12.7323 13.6285 13.6285 14.9818 14.9818 15.4376 15.4376 16.0446 16.0446 16.1900 16.1900 17.2857 17.2857 k = 0.0000 0.4500-0.0000 ( 2666 PWs) bands (ev): -41.7435 -41.7435 -18.4077 -18.4077 -17.7878 -17.7878 -17.6862 -17.6862 9.7320 9.7320 11.0233 11.0233 11.8143 11.8143 12.2493 12.2493 12.7325 12.7325 13.6356 13.6356 14.9598 14.9598 15.3826 15.3826 16.0260 16.0260 16.1744 16.1744 17.2757 17.2757 k = 0.0000 0.4600-0.0000 ( 2666 PWs) bands (ev): -41.7434 -41.7434 -18.4083 -18.4083 -17.7885 -17.7885 -17.6862 -17.6862 9.7625 9.7625 11.0329 11.0329 11.8648 11.8648 12.2222 12.2222 12.7326 12.7326 13.6416 13.6416 14.9415 14.9415 15.3355 15.3355 16.0110 16.0110 16.1617 16.1617 17.2674 17.2674 k = 0.0000 0.4700-0.0000 ( 2662 PWs) bands (ev): -41.7433 -41.7433 -18.4087 -18.4087 -17.7891 -17.7891 -17.6861 -17.6861 9.7864 9.7864 11.0404 11.0404 11.9127 11.9127 12.1932 12.1932 12.7328 12.7328 13.6464 13.6464 14.9270 14.9270 15.2977 15.2977 15.9993 15.9993 16.1518 16.1518 17.2608 17.2608 k = 0.0000 0.4800-0.0000 ( 2666 PWs) bands (ev): -41.7433 -41.7433 -18.4090 -18.4090 -17.7895 -17.7895 -17.6861 -17.6861 9.8036 9.8036 11.0458 11.0458 11.9563 11.9563 12.1635 12.1635 12.7329 12.7329 13.6498 13.6498 14.9166 14.9166 15.2699 15.2699 15.9911 15.9911 16.1447 16.1447 17.2562 17.2562 k = 0.0000 0.4900-0.0000 ( 2666 PWs) bands (ev): -41.7432 -41.7432 -18.4092 -18.4092 -17.7898 -17.7898 -17.6861 -17.6861 9.8140 9.8140 11.0490 11.0490 11.9914 11.9914 12.1370 12.1370 12.7330 12.7330 13.6519 13.6519 14.9103 14.9103 15.2530 15.2530 15.9861 15.9861 16.1405 16.1405 17.2533 17.2533 k = 0.0000 0.5000-0.0000 ( 2666 PWs) bands (ev): -41.7432 -41.7432 -18.4093 -18.4093 -17.7899 -17.7899 -17.6861 -17.6861 9.8174 9.8174 11.0501 11.0501 12.0067 12.0067 12.1246 12.1246 12.7330 12.7330 13.6526 13.6526 14.9082 14.9082 15.2473 15.2473 15.9845 15.9845 16.1390 16.1390 17.2524 17.2524 k = 0.0000 0.5000-0.0000 ( 2666 PWs) bands (ev): -41.7432 -41.7432 -18.4093 -18.4093 -17.7899 -17.7899 -17.6861 -17.6861 9.8174 9.8174 11.0501 11.0501 12.0067 12.0067 12.1246 12.1246 12.7330 12.7330 13.6526 13.6526 14.9082 14.9082 15.2473 15.2473 15.9845 15.9845 16.1390 16.1390 17.2524 17.2524 k = 0.0100 0.5000-0.0000 ( 2666 PWs) bands (ev): -41.7432 -41.7432 -18.4093 -18.4093 -17.7899 -17.7899 -17.6861 -17.6861 9.8186 9.8186 11.0504 11.0504 11.9889 11.9889 12.1400 12.1400 12.7345 12.7345 13.6494 13.6494 14.9106 14.9106 15.2463 15.2463 15.9878 15.9878 16.1417 16.1417 17.2536 17.2536 k = 0.0200 0.5000-0.0000 ( 2666 PWs) bands (ev): -41.7432 -41.7432 -18.4093 -18.4093 -17.7899 -17.7899 -17.6863 -17.6863 9.8219 9.8219 11.0512 11.0512 11.9499 11.9499 12.1717 12.1717 12.7393 12.7393 13.6397 13.6397 14.9176 14.9176 15.2432 15.2432 15.9977 15.9977 16.1495 16.1495 17.2573 17.2573 k = 0.0300 0.5000-0.0000 ( 2666 PWs) bands (ev): -41.7431 -41.7431 -18.4094 -18.4094 -17.7900 -17.7900 -17.6866 -17.6866 9.8274 9.8274 11.0525 11.0525 11.9033 11.9033 12.2060 12.2060 12.7476 12.7476 13.6239 13.6239 14.9290 14.9290 15.2383 15.2383 16.0137 16.0137 16.1627 16.1627 17.2635 17.2635 k = 0.0400 0.5000-0.0000 ( 2666 PWs) bands (ev): -41.7430 -41.7430 -18.4096 -18.4096 -17.7901 -17.7901 -17.6870 -17.6870 9.8350 9.8350 11.0544 11.0544 11.8534 11.8534 12.2378 12.2378 12.7601 12.7601 13.6024 13.6024 14.9446 14.9446 15.2322 15.2322 16.0353 16.0353 16.1811 16.1811 17.2720 17.2720 k = 0.0500 0.5000-0.0000 ( 2662 PWs) bands (ev): -41.7429 -41.7429 -18.4097 -18.4097 -17.7902 -17.7902 -17.6876 -17.6876 9.8445 9.8445 11.0568 11.0568 11.8019 11.8019 12.2653 12.2653 12.7775 12.7775 13.5756 13.5756 14.9635 14.9635 15.2256 15.2256 16.0614 16.0614 16.2048 16.2048 17.2829 17.2829 k = 0.0600 0.5000-0.0000 ( 2662 PWs) bands (ev): -41.7428 -41.7428 -18.4099 -18.4099 -17.7904 -17.7904 -17.6882 -17.6882 9.8559 9.8559 11.0599 11.0599 11.7497 11.7497 12.2872 12.2872 12.8002 12.8002 13.5443 13.5443 14.9850 14.9850 15.2194 15.2194 16.0913 16.0913 16.2340 16.2340 17.2960 17.2960 k = 0.0700 0.5000-0.0000 ( 2666 PWs) bands (ev): -41.7426 -41.7426 -18.4102 -18.4102 -17.7906 -17.7906 -17.6890 -17.6890 9.8688 9.8688 11.0635 11.0635 11.6974 11.6974 12.3030 12.3030 12.8285 12.8285 13.5091 13.5091 15.0074 15.0074 15.2153 15.2153 16.1238 16.1238 16.2688 16.2688 17.3114 17.3114 k = 0.0800 0.5000-0.0000 ( 2662 PWs) bands (ev): -41.7425 -41.7425 -18.4104 -18.4104 -17.7908 -17.7908 -17.6898 -17.6898 9.8832 9.8832 11.0675 11.0675 11.6456 11.6456 12.3127 12.3127 12.8621 12.8621 13.4708 13.4708 15.0282 15.0282 15.2159 15.2159 16.1579 16.1579 16.3091 16.3091 17.3288 17.3288 k = 0.0900 0.5000-0.0000 ( 2666 PWs) bands (ev): -41.7423 -41.7423 -18.4107 -18.4107 -17.7911 -17.7911 -17.6908 -17.6908 9.8986 9.8986 11.0717 11.0717 11.5951 11.5951 12.3167 12.3167 12.9003 12.9003 13.4304 13.4304 15.0442 15.0442 15.2243 15.2243 16.1929 16.1929 16.3547 16.3547 17.3483 17.3483 k = 0.1000 0.5000-0.0000 ( 2670 PWs) bands (ev): -41.7421 -41.7421 -18.4111 -18.4111 -17.7914 -17.7914 -17.6918 -17.6918 9.9150 9.9150 11.0756 11.0756 11.5469 11.5469 12.3157 12.3157 12.9419 12.9419 13.3892 13.3892 15.0527 15.0527 15.2432 15.2432 16.2284 16.2284 16.4053 16.4053 17.3697 17.3697 k = 0.1100 0.5000-0.0000 ( 2670 PWs) bands (ev): -41.7418 -41.7418 -18.4115 -18.4115 -17.7918 -17.7918 -17.6928 -17.6928 9.9318 9.9318 11.0784 11.0784 11.5021 11.5021 12.3104 12.3104 12.9850 12.9850 13.3491 13.3491 15.0535 15.0535 15.2729 15.2729 16.2640 16.2640 16.4602 16.4602 17.3929 17.3929 k = 0.1200 0.5000-0.0000 ( 2666 PWs) bands (ev): -41.7416 -41.7416 -18.4119 -18.4119 -17.7922 -17.7922 -17.6940 -17.6940 9.9489 9.9489 11.0786 11.0786 11.4626 11.4626 12.3014 12.3014 13.0256 13.0256 13.3138 13.3138 15.0484 15.0484 15.3112 15.3112 16.2995 16.2995 16.5188 16.5188 17.4178 17.4178 k = 0.1300 0.5000-0.0000 ( 2662 PWs) bands (ev): -41.7413 -41.7413 -18.4123 -18.4123 -17.7927 -17.7927 -17.6951 -17.6951 9.9658 9.9658 11.0743 11.0743 11.4308 11.4308 12.2896 12.2896 13.0562 13.0562 13.2910 13.2910 15.0397 15.0397 15.3558 15.3558 16.3350 16.3350 16.5804 16.5804 17.4442 17.4442 k = 0.1400 0.5000-0.0000 ( 2666 PWs) bands (ev): -41.7411 -41.7411 -18.4128 -18.4128 -17.7932 -17.7932 -17.6963 -17.6963 9.9822 9.9822 11.0632 11.0632 11.4094 11.4094 12.2754 12.2754 13.0649 13.0649 13.2926 13.2926 15.0289 15.0289 15.4051 15.4051 16.3701 16.3701 16.6445 16.6445 17.4720 17.4720 k = 0.1500 0.5000-0.0000 ( 2666 PWs) bands (ev): -41.7408 -41.7408 -18.4134 -18.4134 -17.7938 -17.7938 -17.6976 -17.6976 9.9978 9.9978 11.0435 11.0435 11.4003 11.4003 12.2594 12.2594 13.0476 13.0476 13.3228 13.3228 15.0169 15.0169 15.4579 15.4579 16.4049 16.4049 16.7104 16.7104 17.5011 17.5011 k = 0.1600 0.5000-0.0000 ( 2664 PWs) bands (ev): -41.7405 -41.7405 -18.4139 -18.4139 -17.7945 -17.7945 -17.6988 -17.6988 10.0124 10.0124 11.0154 11.0154 11.4038 11.4038 12.2421 12.2421 13.0137 13.0137 13.3724 13.3724 15.0044 15.0044 15.5133 15.5133 16.4391 16.4391 16.7778 16.7778 17.5313 17.5313 k = 0.1700 0.5000-0.0000 ( 2664 PWs) bands (ev): -41.7401 -41.7401 -18.4145 -18.4145 -17.7952 -17.7952 -17.7000 -17.7000 10.0255 10.0255 10.9802 10.9802 11.4187 11.4187 12.2238 12.2238 12.9721 12.9721 13.4325 13.4325 14.9918 14.9918 15.5707 15.5707 16.4725 16.4725 16.8463 16.8463 17.5626 17.5626 k = 0.1800 0.5000-0.0000 ( 2660 PWs) bands (ev): -41.7398 -41.7398 -18.4151 -18.4151 -17.7960 -17.7960 -17.7012 -17.7012 10.0372 10.0372 10.9399 10.9399 11.4428 11.4428 12.2052 12.2052 12.9274 12.9274 13.4990 13.4990 14.9794 14.9794 15.6298 15.6298 16.5050 16.5050 16.9153 16.9153 17.5947 17.5947 k = 0.1900 0.5000-0.0000 ( 2658 PWs) bands (ev): -41.7395 -41.7395 -18.4158 -18.4158 -17.7969 -17.7969 -17.7024 -17.7024 10.0471 10.0471 10.8963 10.8963 11.4743 11.4743 12.1867 12.1867 12.8818 12.8818 13.5697 13.5697 14.9673 14.9673 15.6900 15.6900 16.5364 16.5364 16.9847 16.9847 17.6275 17.6275 k = 0.2000 0.5000-0.0000 ( 2658 PWs) bands (ev): -41.7391 -41.7391 -18.4165 -18.4165 -17.7978 -17.7978 -17.7035 -17.7035 10.0553 10.0553 10.8508 10.8508 11.5112 11.5112 12.1688 12.1688 12.8366 12.8366 13.6437 13.6437 14.9556 14.9556 15.7510 15.7510 16.5663 16.5663 17.0541 17.0541 17.6610 17.6610 k = 0.2100 0.5000-0.0000 ( 2658 PWs) bands (ev): -41.7388 -41.7388 -18.4172 -18.4172 -17.7988 -17.7988 -17.7046 -17.7046 10.0616 10.0616 10.8043 10.8043 11.5520 11.5520 12.1524 12.1524 12.7928 12.7928 13.7204 13.7204 14.9444 14.9444 15.8125 15.8125 16.5946 16.5946 17.1232 17.1232 17.6949 17.6949 k = 0.2200 0.5000-0.0000 ( 2646 PWs) bands (ev): -41.7384 -41.7384 -18.4179 -18.4179 -17.7999 -17.7999 -17.7057 -17.7057 10.0662 10.0662 10.7575 10.7575 11.5947 11.5947 12.1383 12.1383 12.7513 12.7513 13.7994 13.7994 14.9339 14.9339 15.8742 15.8742 16.6210 16.6210 17.1919 17.1919 17.7292 17.7292 k = 0.2300 0.5000-0.0000 ( 2650 PWs) bands (ev): -41.7380 -41.7380 -18.4187 -18.4187 -17.8011 -17.8011 -17.7067 -17.7067 10.0690 10.0690 10.7107 10.7107 11.6371 11.6371 12.1277 12.1277 12.7131 12.7131 13.8805 13.8805 14.9240 14.9240 15.9358 15.9358 16.6452 16.6452 17.2597 17.2597 17.7636 17.7636 k = 0.2400 0.5000-0.0000 ( 2650 PWs) bands (ev): -41.7377 -41.7377 -18.4195 -18.4195 -17.8023 -17.8023 -17.7076 -17.7076 10.0702 10.0702 10.6645 10.6645 11.6765 11.6765 12.1219 12.1219 12.6794 12.6794 13.9634 13.9634 14.9148 14.9148 15.9971 15.9971 16.6671 16.6671 17.3266 17.3266 17.7982 17.7982 k = 0.2500 0.5000-0.0000 ( 2634 PWs) bands (ev): -41.7373 -41.7373 -18.4203 -18.4203 -17.8036 -17.8036 -17.7085 -17.7085 10.0699 10.0699 10.6189 10.6189 11.7100 11.7100 12.1223 12.1223 12.6521 12.6521 14.0479 14.0479 14.9064 14.9064 16.0576 16.0576 16.6863 16.6863 17.3924 17.3924 17.8328 17.8328 k = 0.2600 0.5000-0.0000 ( 2646 PWs) bands (ev): -41.7369 -41.7369 -18.4211 -18.4211 -17.8049 -17.8049 -17.7093 -17.7093 10.0682 10.0682 10.5743 10.5743 11.7347 11.7347 12.1288 12.1288 12.6336 12.6336 14.1337 14.1337 14.8988 14.8988 16.1172 16.1172 16.7026 16.7026 17.4567 17.4567 17.8672 17.8672 k = 0.2700 0.5000-0.0000 ( 2654 PWs) bands (ev): -41.7365 -41.7365 -18.4220 -18.4220 -17.8062 -17.8062 -17.7100 -17.7100 10.0654 10.0654 10.5308 10.5308 11.7494 11.7494 12.1395 12.1395 12.6273 12.6273 14.2205 14.2205 14.8921 14.8921 16.1756 16.1756 16.7158 16.7158 17.5196 17.5196 17.9014 17.9014 k = 0.2800 0.5000-0.0000 ( 2654 PWs) bands (ev): -41.7362 -41.7362 -18.4228 -18.4228 -17.8076 -17.8076 -17.7106 -17.7106 10.0615 10.0615 10.4886 10.4886 11.7546 11.7546 12.1500 12.1500 12.6367 12.6367 14.3082 14.3082 14.8864 14.8864 16.2325 16.2325 16.7256 16.7256 17.5806 17.5806 17.9352 17.9352 k = 0.2900 0.5000-0.0000 ( 2650 PWs) bands (ev): -41.7358 -41.7358 -18.4237 -18.4237 -17.8091 -17.8091 -17.7112 -17.7112 10.0567 10.0567 10.4476 10.4476 11.7519 11.7519 12.1559 12.1559 12.6647 12.6647 14.3962 14.3962 14.8818 14.8818 16.2874 16.2874 16.7320 16.7320 17.6398 17.6398 17.9686 17.9686 k = 0.3000 0.5000-0.0000 ( 2642 PWs) bands (ev): -41.7354 -41.7354 -18.4245 -18.4245 -17.8105 -17.8105 -17.7118 -17.7118 10.0511 10.0511 10.4082 10.4082 11.7436 11.7436 12.1544 12.1544 12.7115 12.7115 14.4840 14.4840 14.8786 14.8786 16.3399 16.3399 16.7350 16.7350 17.6969 17.6969 18.0015 18.0015 k = 0.3100 0.5000-0.0000 ( 2646 PWs) bands (ev): -41.7351 -41.7351 -18.4254 -18.4254 -17.8119 -17.8119 -17.7122 -17.7122 10.0450 10.0450 10.3702 10.3702 11.7315 11.7315 12.1457 12.1457 12.7750 12.7750 14.5706 14.5706 14.8777 14.8777 16.3894 16.3894 16.7347 16.7347 17.7517 17.7517 18.0338 18.0338 k = 0.3200 0.5000-0.0000 ( 2644 PWs) bands (ev): -41.7348 -41.7348 -18.4262 -18.4262 -17.8134 -17.8134 -17.7126 -17.7126 10.0384 10.0384 10.3338 10.3338 11.7169 11.7169 12.1315 12.1315 12.8520 12.8520 14.6541 14.6541 14.8805 14.8805 16.4350 16.4350 16.7316 16.7316 17.8042 17.8042 18.0653 18.0653 k = 0.3300 0.5000-0.0000 ( 2648 PWs) bands (ev): -41.7344 -41.7344 -18.4270 -18.4270 -17.8148 -17.8148 -17.7130 -17.7130 10.0315 10.0315 10.2991 10.2991 11.7007 11.7007 12.1136 12.1136 12.9394 12.9394 14.7294 14.7294 14.8919 14.8919 16.4751 16.4751 16.7270 16.7270 17.8541 17.8541 18.0961 18.0961 k = 0.3400 0.5000-0.0000 ( 2644 PWs) bands (ev): -41.7341 -41.7341 -18.4278 -18.4278 -17.8162 -17.8162 -17.7133 -17.7133 10.0244 10.0244 10.2661 10.2661 11.6838 11.6838 12.0937 12.0937 13.0347 13.0347 14.7849 14.7849 14.9229 14.9229 16.5071 16.5071 16.7233 16.7233 17.9013 17.9013 18.1261 18.1261 k = 0.3500 0.5000-0.0000 ( 2644 PWs) bands (ev): -41.7338 -41.7338 -18.4286 -18.4286 -17.8175 -17.8175 -17.7135 -17.7135 10.0172 10.0172 10.2349 10.2349 11.6665 11.6665 12.0728 12.0728 13.1358 13.1358 14.8130 14.8130 14.9808 14.9808 16.5270 16.5270 16.7241 16.7241 17.9456 17.9456 18.1551 18.1551 k = 0.3600 0.5000-0.0000 ( 2648 PWs) bands (ev): -41.7335 -41.7335 -18.4294 -18.4294 -17.8189 -17.8189 -17.7137 -17.7137 10.0100 10.0100 10.2054 10.2054 11.6494 11.6494 12.0519 12.0519 13.2413 13.2413 14.8250 14.8250 15.0538 15.0538 16.5311 16.5311 16.7333 16.7333 17.9870 17.9870 18.1830 18.1830 k = 0.3700 0.5000-0.0000 ( 2648 PWs) bands (ev): -41.7332 -41.7332 -18.4302 -18.4302 -17.8201 -17.8201 -17.7139 -17.7139 10.0030 10.0030 10.1779 10.1779 11.6326 11.6326 12.0314 12.0314 13.3499 13.3499 14.8313 14.8313 15.1307 15.1307 16.5194 16.5194 16.7508 16.7508 18.0252 18.0252 18.2094 18.2094 k = 0.3800 0.5000-0.0000 ( 2648 PWs) bands (ev): -41.7330 -41.7330 -18.4309 -18.4309 -17.8213 -17.8213 -17.7140 -17.7140 9.9961 9.9961 10.1523 10.1523 11.6164 11.6164 12.0117 12.0117 13.4605 13.4605 14.8359 14.8359 15.2068 15.2068 16.4952 16.4952 16.7738 16.7738 18.0602 18.0602 18.2333 18.2333 k = 0.3900 0.5000-0.0000 ( 2654 PWs) bands (ev): -41.7327 -41.7327 -18.4315 -18.4315 -17.8225 -17.8225 -17.7141 -17.7141 9.9895 9.9895 10.1285 10.1285 11.6010 11.6010 11.9930 11.9930 13.5719 13.5719 14.8405 14.8405 15.2795 15.2795 16.4627 16.4627 16.7986 16.7986 18.0916 18.0916 18.2452 18.2452 k = 0.4000 0.5000-0.0000 ( 2650 PWs) bands (ev): -41.7325 -41.7325 -18.4322 -18.4322 -17.8235 -17.8235 -17.7142 -17.7142 9.9832 9.9832 10.1068 10.1068 11.5866 11.5866 11.9757 11.9757 13.6831 13.6831 14.8459 14.8459 15.3469 15.3469 16.4248 16.4248 16.8233 16.8233 18.1188 18.1188 18.2279 18.2279 k = 0.4100 0.5000-0.0000 ( 2652 PWs) bands (ev): -41.7323 -41.7323 -18.4327 -18.4327 -17.8245 -17.8245 -17.7143 -17.7143 9.9773 9.9773 10.0871 10.0871 11.5731 11.5731 11.9597 11.9597 13.7927 13.7927 14.8529 14.8529 15.4067 15.4067 16.3844 16.3844 16.8465 16.8465 18.1393 18.1393 18.2061 18.2061 k = 0.4200 0.5000-0.0000 ( 2660 PWs) bands (ev): -41.7321 -41.7321 -18.4333 -18.4333 -17.8254 -17.8254 -17.7143 -17.7143 9.9719 9.9719 10.0693 10.0693 11.5609 11.5609 11.9453 11.9453 13.8993 13.8993 14.8621 14.8621 15.4567 15.4567 16.3441 16.3441 16.8676 16.8676 18.1440 18.1440 18.1964 18.1964 k = 0.4300 0.5000-0.0000 ( 2662 PWs) bands (ev): -41.7319 -41.7319 -18.4338 -18.4338 -17.8262 -17.8262 -17.7144 -17.7144 9.9671 9.9671 10.0536 10.0536 11.5499 11.5499 11.9324 11.9324 14.0012 14.0012 14.8742 14.8742 15.4943 15.4943 16.3068 16.3068 16.8860 16.8860 18.1280 18.1280 18.2051 18.2051 k = 0.4400 0.5000-0.0000 ( 2662 PWs) bands (ev): -41.7318 -41.7318 -18.4342 -18.4342 -17.8269 -17.8269 -17.7144 -17.7144 9.9627 9.9627 10.0400 10.0400 11.5402 11.5402 11.9212 11.9212 14.0962 14.0962 14.8903 14.8903 15.5170 15.5170 16.2753 16.2753 16.9017 16.9017 18.1056 18.1056 18.2188 18.2188 k = 0.4500 0.5000-0.0000 ( 2658 PWs) bands (ev): -41.7316 -41.7316 -18.4345 -18.4345 -17.8275 -17.8275 -17.7144 -17.7144 9.9590 9.9590 10.0285 10.0285 11.5319 11.5319 11.9116 11.9116 14.1817 14.1817 14.9110 14.9110 15.5232 15.5232 16.2518 16.2518 16.9145 16.9145 18.0834 18.0834 18.2318 18.2318 k = 0.4600 0.5000-0.0000 ( 2660 PWs) bands (ev): -41.7315 -41.7315 -18.4348 -18.4348 -17.8280 -17.8280 -17.7144 -17.7144 9.9559 9.9559 10.0190 10.0190 11.5251 11.5251 11.9038 11.9038 14.2551 14.2551 14.9368 14.9368 15.5136 15.5136 16.2371 16.2371 16.9246 16.9246 18.0634 18.0634 18.2428 18.2428 k = 0.4700 0.5000-0.0000 ( 2664 PWs) bands (ev): -41.7315 -41.7315 -18.4351 -18.4351 -17.8284 -17.8284 -17.7144 -17.7144 9.9535 9.9535 10.0116 10.0116 11.5197 11.5197 11.8976 11.8976 14.3140 14.3140 14.9666 14.9666 15.4917 15.4917 16.2298 16.2298 16.9321 16.9321 18.0468 18.0468 18.2515 18.2515 k = 0.4800 0.5000-0.0000 ( 2668 PWs) bands (ev): -41.7314 -41.7314 -18.4352 -18.4352 -17.8287 -17.8287 -17.7145 -17.7145 9.9517 9.9517 10.0064 10.0064 11.5158 11.5158 11.8932 11.8932 14.3566 14.3566 14.9971 14.9971 15.4643 15.4643 16.2275 16.2275 16.9373 16.9373 18.0344 18.0344 18.2577 18.2577 k = 0.4900 0.5000-0.0000 ( 2680 PWs) bands (ev): -41.7314 -41.7314 -18.4353 -18.4353 -17.8288 -17.8288 -17.7145 -17.7145 9.9506 9.9506 10.0032 10.0032 11.5135 11.5135 11.8906 11.8906 14.3821 14.3821 15.0214 15.0214 15.4409 15.4409 16.2275 16.2275 16.9402 16.9402 18.0268 18.0268 18.2615 18.2615 k = 0.5000 0.5000-0.0000 ( 2680 PWs) bands (ev): -41.7314 -41.7314 -18.4354 -18.4354 -17.8289 -17.8289 -17.7145 -17.7145 9.9503 9.9503 10.0021 10.0021 11.5127 11.5127 11.8897 11.8897 14.3906 14.3906 15.0309 15.0309 15.4315 15.4315 16.2277 16.2277 16.9412 16.9412 18.0242 18.0242 18.2627 18.2627 k = 0.5000 0.5000-0.0000 ( 2680 PWs) bands (ev): -41.7314 -41.7314 -18.4354 -18.4354 -17.8289 -17.8289 -17.7145 -17.7145 9.9503 9.9503 10.0021 10.0021 11.5127 11.5127 11.8897 11.8897 14.3906 14.3906 15.0309 15.0309 15.4315 15.4315 16.2277 16.2277 16.9412 16.9412 18.0242 18.0242 18.2627 18.2627 k = 0.4929 0.4929-0.0000 ( 2680 PWs) bands (ev): -41.7314 -41.7314 -18.4353 -18.4353 -17.8288 -17.8288 -17.7145 -17.7145 9.9506 9.9506 10.0032 10.0032 11.5135 11.5135 11.8906 11.8906 14.3820 14.3820 15.0209 15.0209 15.4413 15.4413 16.2274 16.2274 16.9402 16.9402 18.0268 18.0268 18.2614 18.2614 k = 0.4857 0.4857-0.0000 ( 2668 PWs) bands (ev): -41.7314 -41.7314 -18.4352 -18.4352 -17.8287 -17.8287 -17.7145 -17.7145 9.9517 9.9517 10.0065 10.0065 11.5159 11.5159 11.8933 11.8933 14.3567 14.3567 14.9930 14.9930 15.4682 15.4682 16.2267 16.2267 16.9372 16.9372 18.0348 18.0348 18.2575 18.2575 k = 0.4786 0.4786-0.0000 ( 2662 PWs) bands (ev): -41.7315 -41.7315 -18.4351 -18.4351 -17.8284 -17.8284 -17.7144 -17.7144 9.9531 9.9531 10.0122 10.0122 11.5198 11.5198 11.8978 11.8978 14.3164 14.3164 14.9512 14.9512 15.5067 15.5067 16.2259 16.2259 16.9322 16.9322 18.0481 18.0481 18.2506 18.2506 k = 0.4714 0.4714-0.0000 ( 2662 PWs) bands (ev): -41.7315 -41.7315 -18.4348 -18.4348 -17.8280 -17.8280 -17.7144 -17.7144 9.9549 9.9549 10.0203 10.0203 11.5253 11.5253 11.9041 11.9041 14.2630 14.2630 14.8986 14.8986 15.5515 15.5515 16.2253 16.2253 16.9252 16.9252 18.0667 18.0667 18.2404 18.2404 k = 0.4643 0.4643-0.0000 ( 2658 PWs) bands (ev): -41.7316 -41.7316 -18.4345 -18.4345 -17.8275 -17.8275 -17.7144 -17.7144 9.9567 9.9567 10.0310 10.0310 11.5323 11.5323 11.9121 11.9121 14.1990 14.1990 14.8373 14.8373 15.5985 15.5985 16.2258 16.2258 16.9160 16.9160 18.0904 18.0904 18.2263 18.2263 k = 0.4571 0.4571-0.0000 ( 2660 PWs) bands (ev): -41.7318 -41.7318 -18.4341 -18.4341 -17.8268 -17.8268 -17.7144 -17.7144 9.9584 9.9584 10.0444 10.0444 11.5407 11.5407 11.9219 11.9219 14.1265 14.1265 14.7682 14.7682 15.6447 15.6447 16.2278 16.2278 16.9048 16.9048 18.1186 18.1186 18.2086 18.2086 k = 0.4500 0.4500-0.0000 ( 2664 PWs) bands (ev): -41.7319 -41.7319 -18.4337 -18.4337 -17.8261 -17.8261 -17.7144 -17.7144 9.9598 9.9598 10.0605 10.0605 11.5505 11.5505 11.9334 11.9334 14.0474 14.0474 14.6921 14.6921 15.6879 15.6879 16.2322 16.2322 16.8915 16.8915 18.1467 18.1467 18.1915 18.1915 k = 0.4429 0.4429-0.0000 ( 2660 PWs) bands (ev): -41.7321 -41.7321 -18.4332 -18.4332 -17.8252 -17.8252 -17.7144 -17.7144 9.9609 9.9609 10.0791 10.0791 11.5617 11.5617 11.9466 11.9466 13.9631 13.9631 14.6095 14.6095 15.7264 15.7264 16.2394 16.2394 16.8762 16.8762 18.1430 18.1430 18.2062 18.2063 k = 0.4357 0.4357-0.0000 ( 2660 PWs) bands (ev): -41.7323 -41.7323 -18.4326 -18.4326 -17.8243 -17.8243 -17.7144 -17.7144 9.9616 9.9616 10.1002 10.1002 11.5741 11.5741 11.9614 11.9614 13.8749 13.8749 14.5213 14.5213 15.7590 15.7590 16.2497 16.2497 16.8591 16.8591 18.1124 18.1124 18.2475 18.2475 k = 0.4286 0.4286-0.0000 ( 2662 PWs) bands (ev): -41.7325 -41.7325 -18.4319 -18.4319 -17.8232 -17.8232 -17.7143 -17.7143 9.9617 9.9617 10.1236 10.1236 11.5878 11.5878 11.9778 11.9778 13.7839 13.7839 14.4282 14.4282 15.7851 15.7851 16.2632 16.2632 16.8403 16.8403 18.0742 18.0742 18.2923 18.2923 k = 0.4214 0.4214-0.0000 ( 2652 PWs) bands (ev): -41.7328 -41.7328 -18.4312 -18.4312 -17.8220 -17.8220 -17.7143 -17.7143 9.9611 9.9611 10.1492 10.1492 11.6026 11.6026 11.9956 11.9956 13.6909 13.6909 14.3310 14.3310 15.8048 15.8048 16.2793 16.2793 16.8202 16.8202 18.0311 18.0311 18.3185 18.3185 k = 0.4143 0.4143-0.0000 ( 2652 PWs) bands (ev): -41.7330 -41.7330 -18.4304 -18.4304 -17.8207 -17.8207 -17.7143 -17.7143 9.9597 9.9597 10.1769 10.1769 11.6184 11.6184 12.0146 12.0146 13.5967 13.5967 14.2307 14.2307 15.8186 15.8186 16.2971 16.2971 16.7991 16.7991 17.9839 17.9839 18.3203 18.3203 k = 0.4071 0.4071-0.0000 ( 2656 PWs) bands (ev): -41.7333 -41.7333 -18.4296 -18.4296 -17.8193 -17.8193 -17.7142 -17.7142 9.9573 9.9573 10.2064 10.2064 11.6352 11.6352 12.0347 12.0347 13.5018 13.5018 14.1280 14.1280 15.8273 15.8273 16.3155 16.3155 16.7772 16.7772 17.9332 17.9332 18.3167 18.3167 k = 0.4000 0.4000-0.0000 ( 2656 PWs) bands (ev): -41.7336 -41.7336 -18.4287 -18.4287 -17.8178 -17.8178 -17.7141 -17.7141 9.9536 9.9536 10.2376 10.2376 11.6529 11.6529 12.0555 12.0555 13.4070 13.4070 14.0240 14.0240 15.8320 15.8320 16.3334 16.3334 16.7551 16.7551 17.8794 17.8794 18.3120 18.3120 k = 0.3929 0.3929-0.0000 ( 2648 PWs) bands (ev): -41.7340 -41.7340 -18.4277 -18.4277 -17.8162 -17.8162 -17.7141 -17.7141 9.9486 9.9486 10.2703 10.2703 11.6714 11.6714 12.0766 12.0766 13.3130 13.3130 13.9194 13.9194 15.8334 15.8334 16.3496 16.3496 16.7333 16.7333 17.8229 17.8229 18.3069 18.3069 k = 0.3857 0.3857-0.0000 ( 2644 PWs) bands (ev): -41.7343 -41.7343 -18.4267 -18.4267 -17.8145 -17.8145 -17.7140 -17.7140 9.9419 9.9419 10.3043 10.3043 11.6906 11.6906 12.0974 12.0974 13.2206 13.2206 13.8152 13.8152 15.8326 15.8326 16.3632 16.3632 16.7122 16.7122 17.7642 17.7642 18.3016 18.3016 k = 0.3786 0.3786-0.0000 ( 2650 PWs) bands (ev): -41.7347 -41.7347 -18.4256 -18.4256 -17.8127 -17.8127 -17.7139 -17.7139 9.9332 9.9332 10.3393 10.3393 11.7104 11.7104 12.1172 12.1172 13.1310 13.1310 13.7120 13.7120 15.8303 15.8303 16.3735 16.3735 16.6926 16.6926 17.7036 17.7036 18.2961 18.2961 k = 0.3714 0.3714-0.0000 ( 2652 PWs) bands (ev): -41.7351 -41.7351 -18.4244 -18.4244 -17.8108 -17.8108 -17.7138 -17.7138 9.9224 9.9224 10.3751 10.3751 11.7307 11.7307 12.1347 12.1347 13.0453 13.0453 13.6108 13.6108 15.8270 15.8270 16.3799 16.3799 16.6749 16.6749 17.6417 17.6417 18.2905 18.2905 k = 0.3643 0.3643-0.0000 ( 2660 PWs) bands (ev): -41.7355 -41.7355 -18.4232 -18.4232 -17.8088 -17.8088 -17.7137 -17.7137 9.9090 9.9090 10.4113 10.4113 11.7515 11.7515 12.1484 12.1484 12.9655 12.9655 13.5121 13.5121 15.8234 15.8234 16.3818 16.3818 16.6597 16.6597 17.5786 17.5786 18.2849 18.2849 k = 0.3571 0.3571-0.0000 ( 2660 PWs) bands (ev): -41.7359 -41.7359 -18.4220 -18.4220 -17.8068 -17.8068 -17.7135 -17.7135 9.8928 9.8928 10.4478 10.4478 11.7724 11.7724 12.1563 12.1563 12.8937 12.8937 13.4169 13.4169 15.8198 15.8198 16.3793 16.3793 16.6474 16.6474 17.5150 17.5150 18.2792 18.2792 k = 0.3500 0.3500-0.0000 ( 2652 PWs) bands (ev): -41.7363 -41.7363 -18.4207 -18.4207 -17.8046 -17.8046 -17.7134 -17.7134 9.8735 9.8735 10.4840 10.4840 11.7932 11.7932 12.1561 12.1561 12.8324 12.8324 13.3258 13.3258 15.8168 15.8168 16.3726 16.3726 16.6378 16.6378 17.4510 17.4510 18.2733 18.2733 k = 0.3429 0.3429-0.0000 ( 2658 PWs) bands (ev): -41.7368 -41.7368 -18.4193 -18.4193 -17.8023 -17.8023 -17.7132 -17.7132 9.8508 9.8508 10.5197 10.5197 11.8135 11.8135 12.1458 12.1458 12.7839 12.7839 13.2399 13.2399 15.8148 15.8148 16.3622 16.3622 16.6307 16.6307 17.3871 17.3871 18.2675 18.2675 k = 0.3357 0.3357-0.0000 ( 2658 PWs) bands (ev): -41.7373 -41.7373 -18.4179 -18.4179 -17.8000 -17.8000 -17.7130 -17.7130 9.8243 9.8243 10.5545 10.5545 11.8323 11.8323 12.1246 12.1246 12.7493 12.7493 13.1604 13.1604 15.8141 15.8141 16.3489 16.3489 16.6256 16.6256 17.3238 17.3238 18.2615 18.2615 k = 0.3286 0.3286-0.0000 ( 2658 PWs) bands (ev): -41.7378 -41.7378 -18.4164 -18.4164 -17.7976 -17.7976 -17.7128 -17.7128 9.7938 9.7938 10.5879 10.5879 11.8478 11.8478 12.0947 12.0947 12.7270 12.7270 13.0888 13.0888 15.8150 15.8150 16.3337 16.3337 16.6219 16.6219 17.2613 17.2613 18.2556 18.2556 k = 0.3214 0.3214-0.0000 ( 2666 PWs) bands (ev): -41.7383 -41.7383 -18.4149 -18.4149 -17.7951 -17.7951 -17.7125 -17.7125 9.7590 9.7590 10.6196 10.6196 11.8560 11.8560 12.0621 12.0621 12.7130 12.7130 13.0280 13.0280 15.8179 15.8179 16.3171 16.3171 16.6193 16.6193 17.2000 17.2000 18.2496 18.2496 k = 0.3143 0.3143-0.0000 ( 2662 PWs) bands (ev): -41.7388 -41.7388 -18.4134 -18.4134 -17.7925 -17.7925 -17.7123 -17.7123 9.7197 9.7197 10.6490 10.6490 11.8494 11.8494 12.0373 12.0373 12.7008 12.7008 12.9818 12.9818 15.8231 15.8231 16.3000 16.3000 16.6172 16.6172 17.1404 17.1404 18.2435 18.2435 k = 0.3071 0.3071-0.0000 ( 2656 PWs) bands (ev): -41.7393 -41.7393 -18.4118 -18.4118 -17.7898 -17.7898 -17.7120 -17.7120 9.6758 9.6758 10.6758 10.6758 11.8215 11.8215 12.0295 12.0295 12.6838 12.6838 12.9542 12.9542 15.8308 15.8308 16.2829 16.2829 16.6155 16.6155 17.0829 17.0829 18.2375 18.2375 k = 0.3000 0.3000-0.0000 ( 2652 PWs) bands (ev): -41.7398 -41.7398 -18.4102 -18.4102 -17.7871 -17.7871 -17.7117 -17.7117 9.6273 9.6273 10.6995 10.6995 11.7758 11.7758 12.0376 12.0376 12.6587 12.6587 12.9464 12.9464 15.8415 15.8415 16.2662 16.2662 16.6139 16.6139 17.0278 17.0278 18.2315 18.2315 k = 0.2929 0.2929-0.0000 ( 2652 PWs) bands (ev): -41.7404 -41.7404 -18.4085 -18.4085 -17.7844 -17.7844 -17.7114 -17.7114 9.5742 9.5742 10.7199 10.7199 11.7201 11.7201 12.0553 12.0553 12.6274 12.6274 12.9550 12.9550 15.8552 15.8552 16.2503 16.2503 16.6122 16.6122 16.9756 16.9756 18.2255 18.2255 k = 0.2857 0.2857-0.0000 ( 2648 PWs) bands (ev): -41.7409 -41.7409 -18.4068 -18.4068 -17.7816 -17.7816 -17.7110 -17.7110 9.5165 9.5165 10.7365 10.7365 11.6601 11.6601 12.0781 12.0781 12.5941 12.5941 12.9745 12.9745 15.8722 15.8722 16.2354 16.2354 16.6106 16.6106 16.9266 16.9266 18.2195 18.2195 k = 0.2786 0.2786-0.0000 ( 2654 PWs) bands (ev): -41.7415 -41.7415 -18.4051 -18.4051 -17.7787 -17.7787 -17.7106 -17.7106 9.4545 9.4545 10.7492 10.7492 11.5985 11.5985 12.1039 12.1039 12.5619 12.5619 13.0007 13.0007 15.8927 15.8927 16.2218 16.2218 16.6089 16.6089 16.8813 16.8813 18.2136 18.2136 k = 0.2714 0.2714-0.0000 ( 2654 PWs) bands (ev): -41.7421 -41.7421 -18.4034 -18.4034 -17.7758 -17.7758 -17.7102 -17.7102 9.3884 9.3884 10.7578 10.7578 11.5365 11.5365 12.1317 12.1317 12.5329 12.5329 13.0307 13.0307 15.9169 15.9169 16.2096 16.2096 16.6071 16.6071 16.8400 16.8400 18.2078 18.2078 k = 0.2643 0.2643-0.0000 ( 2652 PWs) bands (ev): -41.7426 -41.7426 -18.4016 -18.4016 -17.7728 -17.7728 -17.7098 -17.7098 9.3187 9.3187 10.7625 10.7625 11.4750 11.4750 12.1609 12.1609 12.5082 12.5082 13.0627 13.0627 15.9447 15.9447 16.1991 16.1991 16.6054 16.6054 16.8032 16.8032 18.2021 18.2021 k = 0.2571 0.2571-0.0000 ( 2652 PWs) bands (ev): -41.7432 -41.7432 -18.3998 -18.3998 -17.7698 -17.7698 -17.7094 -17.7094 9.2456 9.2456 10.7631 10.7631 11.4142 11.4142 12.1912 12.1912 12.4882 12.4882 13.0953 13.0953 15.9763 15.9763 16.1904 16.1904 16.6036 16.6036 16.7712 16.7712 18.1964 18.1964 k = 0.2500 0.2500-0.0000 ( 2660 PWs) bands (ev): -41.7438 -41.7438 -18.3980 -18.3980 -17.7668 -17.7668 -17.7089 -17.7089 9.1697 9.1697 10.7600 10.7600 11.3543 11.3543 12.2221 12.2221 12.4728 12.4728 13.1277 13.1277 16.0114 16.0114 16.1838 16.1838 16.6019 16.6019 16.7445 16.7445 18.1909 18.1909 k = 0.2429 0.2429-0.0000 ( 2656 PWs) bands (ev): -41.7444 -41.7444 -18.3962 -18.3962 -17.7638 -17.7638 -17.7084 -17.7084 9.0914 9.0914 10.7533 10.7533 11.2954 11.2954 12.2536 12.2536 12.4620 12.4620 13.1592 13.1592 16.0496 16.0496 16.1797 16.1797 16.6004 16.6004 16.7233 16.7233 18.1855 18.1855 k = 0.2357 0.2357-0.0000 ( 2656 PWs) bands (ev): -41.7450 -41.7450 -18.3944 -18.3944 -17.7607 -17.7607 -17.7079 -17.7079 9.0112 9.0112 10.7435 10.7435 11.2375 11.2375 12.2854 12.2854 12.4555 12.4555 13.1892 13.1892 16.0900 16.0900 16.1790 16.1790 16.5990 16.5990 16.7080 16.7080 18.1802 18.1802 k = 0.2286 0.2286-0.0000 ( 2660 PWs) bands (ev): -41.7456 -41.7456 -18.3926 -18.3926 -17.7577 -17.7577 -17.7074 -17.7074 8.9295 8.9295 10.7308 10.7308 11.1805 11.1805 12.3172 12.3172 12.4527 12.4527 13.2173 13.2173 16.1281 16.1281 16.1860 16.1860 16.5980 16.5980 16.6991 16.6991 18.1751 18.1751 k = 0.2214 0.2214-0.0000 ( 2664 PWs) bands (ev): -41.7462 -41.7462 -18.3908 -18.3908 -17.7546 -17.7546 -17.7069 -17.7069 8.8469 8.8469 10.7156 10.7156 11.1246 11.1246 12.3487 12.3487 12.4534 12.4534 13.2433 13.2433 16.1520 16.1520 16.2123 16.2123 16.5975 16.5975 16.6967 16.6967 18.1702 18.1702 k = 0.2143 0.2143-0.0000 ( 2664 PWs) bands (ev): -41.7467 -41.7467 -18.3890 -18.3890 -17.7515 -17.7515 -17.7063 -17.7063 8.7637 8.7637 10.6982 10.6982 11.0697 11.0697 12.3796 12.3796 12.4572 12.4572 13.2668 13.2668 16.1619 16.1619 16.2571 16.2571 16.5977 16.5977 16.7012 16.7012 18.1654 18.1654 k = 0.2071 0.2071-0.0000 ( 2668 PWs) bands (ev): -41.7473 -41.7473 -18.3872 -18.3872 -17.7485 -17.7485 -17.7058 -17.7058 8.6803 8.6803 10.6790 10.6790 11.0159 11.0159 12.4094 12.4094 12.4638 12.4638 13.2877 13.2877 16.1686 16.1686 16.3089 16.3089 16.5993 16.5993 16.7126 16.7126 18.1608 18.1608 k = 0.2000 0.2000-0.0000 ( 2674 PWs) bands (ev): -41.7479 -41.7479 -18.3854 -18.3854 -17.7454 -17.7454 -17.7052 -17.7052 8.5972 8.5972 10.6582 10.6582 10.9633 10.9633 12.4371 12.4371 12.4736 12.4736 13.3059 13.3059 16.1755 16.1755 16.3627 16.3627 16.6033 16.6033 16.7312 16.7312 18.1564 18.1564 k = 0.1929 0.1929-0.0000 ( 2674 PWs) bands (ev): -41.7485 -41.7485 -18.3837 -18.3837 -17.7424 -17.7424 -17.7046 -17.7046 8.5147 8.5147 10.6362 10.6362 10.9119 10.9119 12.4606 12.4606 12.4882 12.4882 13.3216 13.3216 16.1835 16.1835 16.4151 16.4151 16.6118 16.6118 16.7570 16.7570 18.1522 18.1522 k = 0.1857 0.1857-0.0000 ( 2674 PWs) bands (ev): -41.7490 -41.7490 -18.3819 -18.3819 -17.7394 -17.7394 -17.7040 -17.7040 8.4332 8.4332 10.6132 10.6132 10.8619 10.8619 12.4782 12.4782 12.5086 12.5086 13.3347 13.3347 16.1928 16.1928 16.4614 16.4614 16.6289 16.6289 16.7900 16.7900 18.1483 18.1483 k = 0.1786 0.1786-0.0000 ( 2666 PWs) bands (ev): -41.7496 -41.7496 -18.3802 -18.3802 -17.7365 -17.7365 -17.7034 -17.7034 8.3529 8.3529 10.5895 10.5895 10.8132 10.8132 12.4923 12.4923 12.5320 12.5320 13.3453 13.3453 16.2035 16.2035 16.4959 16.4959 16.6597 16.6597 16.8300 16.8300 18.1445 18.1445 k = 0.1714 0.1714-0.0000 ( 2666 PWs) bands (ev): -41.7501 -41.7501 -18.3785 -18.3785 -17.7335 -17.7335 -17.7028 -17.7028 8.2741 8.2741 10.5652 10.5652 10.7659 10.7659 12.5055 12.5055 12.5554 12.5554 13.3538 13.3538 16.2155 16.2155 16.5167 16.5167 16.7056 16.7056 16.8770 16.8770 18.1410 18.1410 k = 0.1643 0.1643-0.0000 ( 2658 PWs) bands (ev): -41.7506 -41.7506 -18.3769 -18.3769 -17.7307 -17.7307 -17.7022 -17.7022 8.1970 8.1970 10.5406 10.5406 10.7201 10.7201 12.5185 12.5185 12.5777 12.5777 13.3603 13.3603 16.2288 16.2288 16.5278 16.5278 16.7622 16.7622 16.9305 16.9305 18.1378 18.1378 k = 0.1571 0.1571-0.0000 ( 2654 PWs) bands (ev): -41.7512 -41.7512 -18.3753 -18.3753 -17.7279 -17.7279 -17.7016 -17.7016 8.1220 8.1220 10.5158 10.5158 10.6760 10.6760 12.5314 12.5314 12.5984 12.5984 13.3650 13.3650 16.2432 16.2432 16.5337 16.5337 16.8248 16.8248 16.9900 16.9900 18.1347 18.1347 k = 0.1500 0.1500-0.0000 ( 2646 PWs) bands (ev): -41.7517 -41.7517 -18.3737 -18.3737 -17.7251 -17.7251 -17.7010 -17.7010 8.0491 8.0491 10.4911 10.4911 10.6334 10.6334 12.5443 12.5443 12.6174 12.6174 13.3683 13.3683 16.2587 16.2587 16.5368 16.5368 16.8910 16.8910 17.0545 17.0545 18.1320 18.1320 k = 0.1429 0.1429-0.0000 ( 2642 PWs) bands (ev): -41.7522 -41.7522 -18.3722 -18.3722 -17.7225 -17.7225 -17.7004 -17.7004 7.9787 7.9787 10.4666 10.4666 10.5925 10.5925 12.5570 12.5570 12.6343 12.6343 13.3704 13.3704 16.2750 16.2750 16.5384 16.5384 16.9594 16.9594 17.1231 17.1231 18.1295 18.1295 k = 0.1357 0.1357-0.0000 ( 2650 PWs) bands (ev): -41.7526 -41.7526 -18.3707 -18.3707 -17.7199 -17.7199 -17.6998 -17.6998 7.9107 7.9107 10.4424 10.4424 10.5533 10.5533 12.5695 12.5695 12.6494 12.6494 13.3717 13.3717 16.2921 16.2921 16.5392 16.5392 17.0296 17.0296 17.1946 17.1946 18.1273 18.1273 k = 0.1286 0.1286-0.0000 ( 2650 PWs) bands (ev): -41.7531 -41.7531 -18.3692 -18.3692 -17.7174 -17.7174 -17.6993 -17.6993 7.8455 7.8455 10.4187 10.4187 10.5159 10.5159 12.5816 12.5816 12.6624 12.6624 13.3723 13.3723 16.3097 16.3097 16.5396 16.5396 17.1011 17.1011 17.2681 17.2681 18.1254 18.1254 k = 0.1214 0.1214-0.0000 ( 2650 PWs) bands (ev): -41.7535 -41.7535 -18.3679 -18.3679 -17.7150 -17.7150 -17.6987 -17.6987 7.7832 7.7832 10.3955 10.3955 10.4804 10.4804 12.5934 12.5934 12.6734 12.6734 13.3725 13.3725 16.3278 16.3278 16.5396 16.5396 17.1736 17.1736 17.3424 17.3424 18.1239 18.1239 k = 0.1143 0.1143-0.0000 ( 2654 PWs) bands (ev): -41.7540 -41.7540 -18.3666 -18.3666 -17.7127 -17.7127 -17.6982 -17.6982 7.7238 7.7238 10.3731 10.3731 10.4467 10.4467 12.6047 12.6047 12.6825 12.6825 13.3725 13.3725 16.3462 16.3462 16.5395 16.5395 17.2469 17.2469 17.4167 17.4167 18.1227 18.1227 k = 0.1071 0.1071-0.0000 ( 2646 PWs) bands (ev): -41.7544 -41.7544 -18.3653 -18.3653 -17.7105 -17.7105 -17.6976 -17.6976 7.6675 7.6675 10.3515 10.3515 10.4148 10.4148 12.6154 12.6154 12.6898 12.6898 13.3724 13.3724 16.3646 16.3646 16.5393 16.5393 17.3205 17.3205 17.4902 17.4902 18.1219 18.1219 k = 0.1000 0.1000-0.0000 ( 2646 PWs) bands (ev): -41.7547 -41.7547 -18.3641 -18.3641 -17.7084 -17.7084 -17.6971 -17.6971 7.6144 7.6144 10.3309 10.3309 10.3849 10.3849 12.6256 12.6256 12.6954 12.6954 13.3724 13.3724 16.3829 16.3829 16.5390 16.5390 17.3940 17.3940 17.5620 17.5620 18.1216 18.1216 k = 0.0929 0.0929-0.0000 ( 2644 PWs) bands (ev): -41.7551 -41.7551 -18.3630 -18.3630 -17.7064 -17.7064 -17.6967 -17.6967 7.5646 7.5646 10.3113 10.3113 10.3570 10.3570 12.6352 12.6352 12.6995 12.6995 13.3725 13.3725 16.4009 16.4009 16.5388 16.5388 17.4666 17.4666 17.6315 17.6315 18.1219 18.1219 k = 0.0857 0.0857-0.0000 ( 2648 PWs) bands (ev): -41.7554 -41.7554 -18.3620 -18.3620 -17.7045 -17.7045 -17.6962 -17.6962 7.5182 7.5182 10.2927 10.2927 10.3310 10.3310 12.6441 12.6441 12.7023 12.7023 13.3727 13.3727 16.4185 16.4185 16.5385 16.5385 17.5379 17.5379 17.6978 17.6978 18.1229 18.1229 k = 0.0786 0.0786-0.0000 ( 2644 PWs) bands (ev): -41.7557 -41.7557 -18.3610 -18.3610 -17.7028 -17.7028 -17.6958 -17.6958 7.4752 7.4752 10.2754 10.2754 10.3070 10.3070 12.6524 12.6524 12.7039 12.7039 13.3732 13.3732 16.4354 16.4354 16.5383 16.5383 17.6073 17.6073 17.7602 17.7602 18.1248 18.1248 k = 0.0714 0.0714-0.0000 ( 2651 PWs) bands (ev): -41.7560 -41.7560 -18.3601 -18.3601 -17.7012 -17.7012 -17.6954 -17.6954 7.4358 7.4358 10.2593 10.2593 10.2851 10.2851 12.6599 12.6599 12.7045 12.7045 13.3738 13.3738 16.4514 16.4514 16.5380 16.5380 17.6739 17.6739 17.8180 17.8180 18.1279 18.1279 k = 0.0643 0.0643-0.0000 ( 2645 PWs) bands (ev): -41.7563 -41.7563 -18.3593 -18.3593 -17.6998 -17.6998 -17.6950 -17.6950 7.3999 7.3999 10.2446 10.2446 10.2652 10.2652 12.6668 12.6668 12.7044 12.7044 13.3745 13.3745 16.4665 16.4665 16.5378 16.5378 17.7370 17.7370 17.8701 17.8701 18.1326 18.1326 k = 0.0571 0.0571-0.0000 ( 2643 PWs) bands (ev): -41.7565 -41.7565 -18.3585 -18.3585 -17.6984 -17.6984 -17.6947 -17.6947 7.3676 7.3676 10.2313 10.2313 10.2473 10.2473 12.6730 12.6730 12.7037 12.7037 13.3754 13.3754 16.4805 16.4805 16.5376 16.5376 17.7960 17.7960 17.9156 17.9156 18.1396 18.1396 k = 0.0500 0.0500-0.0000 ( 2643 PWs) bands (ev): -41.7567 -41.7567 -18.3579 -18.3579 -17.6973 -17.6973 -17.6944 -17.6944 7.3391 7.3391 10.2194 10.2194 10.2315 10.2315 12.6784 12.6784 12.7027 12.7027 13.3763 13.3763 16.4932 16.4932 16.5375 16.5375 17.8501 17.8501 17.9535 17.9535 18.1492 18.1492 k = 0.0429 0.0429-0.0000 ( 2643 PWs) bands (ev): -41.7569 -41.7569 -18.3573 -18.3573 -17.6962 -17.6962 -17.6941 -17.6941 7.3143 7.3143 10.2090 10.2090 10.2178 10.2178 12.6831 12.6831 12.7014 12.7014 13.3772 13.3772 16.5045 16.5045 16.5374 16.5374 17.8986 17.8986 17.9833 17.9833 18.1616 18.1616 k = 0.0357 0.0357-0.0000 ( 2643 PWs) bands (ev): -41.7571 -41.7571 -18.3568 -18.3568 -17.6954 -17.6954 -17.6939 -17.6939 7.2932 7.2932 10.2001 10.2001 10.2062 10.2062 12.6871 12.6871 12.7001 12.7001 13.3781 13.3781 16.5142 16.5142 16.5373 16.5373 17.9409 17.9409 18.0052 18.0052 18.1763 18.1763 k = 0.0286 0.0286-0.0000 ( 2639 PWs) bands (ev): -41.7572 -41.7572 -18.3564 -18.3564 -17.6947 -17.6947 -17.6937 -17.6937 7.2759 7.2759 10.1928 10.1928 10.1967 10.1967 12.6903 12.6903 12.6988 12.6988 13.3789 13.3789 16.5223 16.5223 16.5372 16.5372 17.9762 17.9762 18.0204 18.0204 18.1917 18.1917 k = 0.0214 0.0214-0.0000 ( 2631 PWs) bands (ev): -41.7573 -41.7573 -18.3561 -18.3561 -17.6941 -17.6941 -17.6936 -17.6936 7.2625 7.2625 10.1871 10.1871 10.1892 10.1892 12.6929 12.6929 12.6977 12.6977 13.3795 13.3795 16.5287 16.5287 16.5371 16.5371 18.0043 18.0043 18.0304 18.0304 18.2060 18.2060 k = 0.0143 0.0143-0.0000 ( 2615 PWs) bands (ev): -41.7574 -41.7574 -18.3559 -18.3559 -17.6937 -17.6937 -17.6935 -17.6935 7.2528 7.2528 10.1830 10.1830 10.1840 10.1840 12.6947 12.6947 12.6969 12.6969 13.3800 13.3800 16.5333 16.5333 16.5371 16.5371 18.0245 18.0245 18.0365 18.0365 18.2174 18.2174 k = 0.0071 0.0071-0.0000 ( 2601 PWs) bands (ev): -41.7574 -41.7574 -18.3558 -18.3558 -17.6935 -17.6935 -17.6934 -17.6934 7.2471 7.2471 10.1805 10.1805 10.1808 10.1808 12.6958 12.6958 12.6963 12.6963 13.3803 13.3803 16.5361 16.5361 16.5371 16.5371 18.0368 18.0368 18.0399 18.0399 18.2247 18.2247 k = 0.0000 0.0000 0.0000 ( 2601 PWs) bands (ev): -41.7574 -41.7574 -18.3557 -18.3557 -17.6934 -17.6934 -17.6934 -17.6934 7.2451 7.2451 10.1797 10.1797 10.1797 10.1797 12.6961 12.6961 12.6961 12.6961 13.3804 13.3804 16.5371 16.5371 16.5371 16.5371 18.0409 18.0409 18.0409 18.0409 18.2272 18.2272 k = 0.0000 0.0000 0.0000 ( 2601 PWs) bands (ev): -41.7574 -41.7574 -18.3557 -18.3557 -17.6934 -17.6934 -17.6934 -17.6934 7.2451 7.2451 10.1797 10.1797 10.1797 10.1797 12.6961 12.6961 12.6961 12.6961 13.3804 13.3804 16.5371 16.5371 16.5371 16.5371 18.0409 18.0409 18.0409 18.0409 18.2272 18.2272 k = 0.0058 0.0058 0.0058 ( 2601 PWs) bands (ev): -41.7574 -41.7574 -18.3558 -18.3558 -17.6934 -17.6934 -17.6934 -17.6934 7.2471 7.2471 10.1806 10.1806 10.1807 10.1807 12.6958 12.6958 12.6963 12.6963 13.3803 13.3803 16.5365 16.5365 16.5367 16.5367 18.0367 18.0367 18.0400 18.0400 18.2247 18.2247 k = 0.0116 0.0116 0.0116 ( 2619 PWs) bands (ev): -41.7574 -41.7574 -18.3559 -18.3559 -17.6936 -17.6936 -17.6936 -17.6936 7.2528 7.2528 10.1833 10.1833 10.1836 10.1836 12.6947 12.6947 12.6968 12.6968 13.3800 13.3800 16.5348 16.5348 16.5357 16.5357 18.0239 18.0239 18.0373 18.0373 18.2175 18.2175 k = 0.0174 0.0174 0.0174 ( 2631 PWs) bands (ev): -41.7573 -41.7573 -18.3561 -18.3561 -17.6939 -17.6939 -17.6938 -17.6938 7.2624 7.2624 10.1878 10.1878 10.1884 10.1884 12.6930 12.6930 12.6976 12.6976 13.3795 13.3795 16.5320 16.5320 16.5339 16.5339 18.0021 18.0021 18.0328 18.0328 18.2061 18.2061 k = 0.0233 0.0233 0.0233 ( 2643 PWs) bands (ev): -41.7572 -41.7572 -18.3564 -18.3564 -17.6943 -17.6943 -17.6941 -17.6941 7.2757 7.2757 10.1942 10.1942 10.1951 10.1951 12.6905 12.6905 12.6986 12.6986 13.3789 13.3789 16.5281 16.5281 16.5316 16.5316 17.9711 17.9711 18.0265 18.0265 18.1916 18.1916 k = 0.0291 0.0291 0.0291 ( 2640 PWs) bands (ev): -41.7571 -41.7571 -18.3568 -18.3568 -17.6948 -17.6948 -17.6944 -17.6944 7.2929 7.2929 10.2022 10.2022 10.2038 10.2038 12.6873 12.6873 12.6997 12.6997 13.3781 13.3781 16.5232 16.5232 16.5286 16.5286 17.9306 17.9306 18.0184 18.0184 18.1745 18.1745 k = 0.0349 0.0349 0.0349 ( 2637 PWs) bands (ev): -41.7569 -41.7569 -18.3573 -18.3573 -17.6954 -17.6954 -17.6949 -17.6949 7.3139 7.3139 10.2121 10.2121 10.2143 10.2143 12.6833 12.6833 12.7008 12.7008 13.3772 13.3772 16.5173 16.5173 16.5251 16.5251 17.8809 17.8809 18.0086 18.0086 18.1554 18.1554 k = 0.0407 0.0407 0.0407 ( 2637 PWs) bands (ev): -41.7567 -41.7567 -18.3579 -18.3579 -17.6962 -17.6962 -17.6955 -17.6955 7.3385 7.3385 10.2237 10.2237 10.2267 10.2267 12.6787 12.6787 12.7017 12.7017 13.3763 13.3763 16.5106 16.5106 16.5211 16.5211 17.8227 17.8227 17.9971 17.9971 18.1347 18.1347 k = 0.0465 0.0465 0.0465 ( 2638 PWs) bands (ev): -41.7565 -41.7565 -18.3585 -18.3585 -17.6970 -17.6970 -17.6961 -17.6961 7.3669 7.3669 10.2370 10.2370 10.2409 10.2409 12.6733 12.6733 12.7022 12.7022 13.3754 13.3754 16.5031 16.5031 16.5167 16.5167 17.7569 17.7569 17.9840 17.9840 18.1125 18.1125 k = 0.0523 0.0523 0.0523 ( 2644 PWs) bands (ev): -41.7563 -41.7563 -18.3593 -18.3593 -17.6980 -17.6980 -17.6968 -17.6968 7.3990 7.3990 10.2519 10.2519 10.2570 10.2570 12.6672 12.6672 12.7022 12.7022 13.3744 13.3744 16.4948 16.4948 16.5120 16.5120 17.6844 17.6844 17.9693 17.9693 18.0886 18.0886 k = 0.0581 0.0581 0.0581 ( 2650 PWs) bands (ev): -41.7560 -41.7560 -18.3601 -18.3601 -17.6990 -17.6990 -17.6976 -17.6976 7.4347 7.4347 10.2686 10.2686 10.2749 10.2749 12.6604 12.6604 12.7014 12.7014 13.3735 13.3735 16.4860 16.4860 16.5070 16.5070 17.6064 17.6064 17.9531 17.9531 18.0633 18.0633 k = 0.0640 0.0640 0.0640 ( 2650 PWs) bands (ev): -41.7557 -41.7557 -18.3610 -18.3610 -17.7001 -17.7001 -17.6984 -17.6984 7.4740 7.4740 10.2868 10.2868 10.2946 10.2946 12.6528 12.6528 12.6996 12.6996 13.3726 13.3726 16.4767 16.4767 16.5019 16.5019 17.5240 17.5240 17.9354 17.9354 18.0364 18.0364 k = 0.0698 0.0698 0.0698 ( 2650 PWs) bands (ev): -41.7554 -41.7554 -18.3619 -18.3619 -17.7014 -17.7014 -17.6994 -17.6994 7.5168 7.5168 10.3066 10.3066 10.3160 10.3160 12.6444 12.6444 12.6965 12.6965 13.3716 13.3716 16.4671 16.4671 16.4967 16.4967 17.4385 17.4385 17.9163 17.9163 18.0080 18.0080 k = 0.0756 0.0756 0.0756 ( 2644 PWs) bands (ev): -41.7551 -41.7551 -18.3629 -18.3629 -17.7027 -17.7027 -17.7004 -17.7004 7.5631 7.5631 10.3279 10.3279 10.3391 10.3391 12.6354 12.6354 12.6921 12.6921 13.3705 13.3705 16.4572 16.4572 16.4916 16.4916 17.3508 17.3508 17.8959 17.8959 17.9781 17.9781 k = 0.0814 0.0814 0.0814 ( 2644 PWs) bands (ev): -41.7547 -41.7547 -18.3641 -18.3641 -17.7041 -17.7041 -17.7015 -17.7015 7.6128 7.6128 10.3506 10.3506 10.3638 10.3638 12.6256 12.6256 12.6860 12.6860 13.3691 13.3691 16.4472 16.4472 16.4866 16.4866 17.2622 17.2622 17.8742 17.8742 17.9469 17.9469 k = 0.0872 0.0872 0.0872 ( 2647 PWs) bands (ev): -41.7543 -41.7543 -18.3652 -18.3652 -17.7056 -17.7056 -17.7027 -17.7027 7.6658 7.6658 10.3748 10.3748 10.3902 10.3902 12.6151 12.6151 12.6782 12.6782 13.3672 13.3672 16.4373 16.4373 16.4818 16.4818 17.1738 17.1738 17.8514 17.8514 17.9144 17.9144 k = 0.0930 0.0930 0.0930 ( 2647 PWs) bands (ev): -41.7539 -41.7539 -18.3665 -18.3665 -17.7071 -17.7071 -17.7039 -17.7039 7.7222 7.7222 10.4003 10.4003 10.4181 10.4181 12.6039 12.6039 12.6684 12.6684 13.3646 13.3646 16.4276 16.4276 16.4774 16.4774 17.0867 17.0867 17.8274 17.8274 17.8806 17.8806 k = 0.0988 0.0988 0.0988 ( 2647 PWs) bands (ev): -41.7535 -41.7535 -18.3678 -18.3678 -17.7087 -17.7087 -17.7052 -17.7052 7.7818 7.7818 10.4271 10.4271 10.4476 10.4476 12.5920 12.5920 12.6566 12.6566 13.3609 13.3609 16.4181 16.4181 16.4733 16.4733 17.0020 17.0020 17.8024 17.8024 17.8458 17.8458 k = 0.1047 0.1047 0.1047 ( 2647 PWs) bands (ev): -41.7531 -41.7531 -18.3691 -18.3691 -17.7104 -17.7104 -17.7066 -17.7066 7.8445 7.8445 10.4550 10.4550 10.4785 10.4785 12.5794 12.5794 12.6428 12.6428 13.3558 13.3558 16.4091 16.4091 16.4698 16.4698 16.9207 16.9207 17.7764 17.7764 17.8100 17.8100 k = 0.1105 0.1105 0.1105 ( 2647 PWs) bands (ev): -41.7526 -41.7526 -18.3705 -18.3705 -17.7122 -17.7122 -17.7081 -17.7081 7.9102 7.9102 10.4841 10.4841 10.5108 10.5108 12.5662 12.5662 12.6269 12.6269 13.3487 13.3487 16.4006 16.4006 16.4668 16.4668 16.8438 16.8438 17.7496 17.7496 17.7733 17.7733 k = 0.1163 0.1163 0.1163 ( 2650 PWs) bands (ev): -41.7521 -41.7521 -18.3720 -18.3720 -17.7140 -17.7140 -17.7096 -17.7096 7.9790 7.9790 10.5142 10.5142 10.5445 10.5445 12.5524 12.5524 12.6089 12.6089 13.3393 13.3393 16.3929 16.3929 16.4644 16.4644 16.7725 16.7725 17.7220 17.7220 17.7359 17.7359 k = 0.1221 0.1221 0.1221 ( 2650 PWs) bands (ev): -41.7516 -41.7516 -18.3735 -18.3735 -17.7158 -17.7158 -17.7112 -17.7112 8.0506 8.0506 10.5452 10.5452 10.5794 10.5794 12.5381 12.5381 12.5888 12.5888 13.3271 13.3271 16.3859 16.3859 16.4628 16.4628 16.7077 16.7077 17.6936 17.6936 17.6979 17.6979 k = 0.1279 0.1279 0.1279 ( 2656 PWs) bands (ev): -41.7511 -41.7511 -18.3751 -18.3751 -17.7177 -17.7177 -17.7128 -17.7128 8.1251 8.1251 10.5770 10.5770 10.6154 10.6154 12.5233 12.5233 12.5668 12.5668 13.3116 13.3116 16.3797 16.3797 16.4619 16.4619 16.6501 16.6501 17.6594 17.6594 17.6646 17.6646 k = 0.1337 0.1337 0.1337 ( 2653 PWs) bands (ev): -41.7505 -41.7505 -18.3767 -18.3767 -17.7196 -17.7196 -17.7145 -17.7145 8.2022 8.2022 10.6096 10.6096 10.6526 10.6526 12.5082 12.5082 12.5428 12.5428 13.2924 13.2924 16.3746 16.3746 16.4617 16.4617 16.6007 16.6007 17.6206 17.6206 17.6351 17.6351 k = 0.1395 0.1395 0.1395 ( 2653 PWs) bands (ev): -41.7500 -41.7500 -18.3783 -18.3783 -17.7216 -17.7216 -17.7163 -17.7163 8.2820 8.2820 10.6428 10.6428 10.6908 10.6908 12.4927 12.4927 12.5171 12.5171 13.2692 13.2692 16.3705 16.3705 16.4623 16.4623 16.5601 16.5601 17.5816 17.5816 17.6051 17.6051 k = 0.1453 0.1453 0.1453 ( 2653 PWs) bands (ev): -41.7494 -41.7494 -18.3800 -18.3800 -17.7236 -17.7236 -17.7181 -17.7181 8.3643 8.3643 10.6764 10.6764 10.7298 10.7298 12.4770 12.4770 12.4897 12.4897 13.2417 13.2417 16.3675 16.3675 16.4635 16.4635 16.5288 16.5288 17.5425 17.5425 17.5748 17.5748 k = 0.1512 0.1512 0.1512 ( 2653 PWs) bands (ev): -41.7488 -41.7488 -18.3818 -18.3818 -17.7256 -17.7256 -17.7199 -17.7199 8.4490 8.4490 10.7104 10.7104 10.7697 10.7697 12.4608 12.4608 12.4612 12.4612 13.2099 13.2099 16.3656 16.3656 16.4650 16.4650 16.5078 16.5078 17.5036 17.5036 17.5441 17.5441 k = 0.1570 0.1570 0.1570 ( 2659 PWs) bands (ev): -41.7482 -41.7482 -18.3835 -18.3835 -17.7277 -17.7277 -17.7218 -17.7218 8.5360 8.5360 10.7445 10.7445 10.8102 10.8102 12.4305 12.4305 12.4454 12.4454 13.1737 13.1737 16.3650 16.3650 16.4654 16.4654 16.4983 16.4983 17.4650 17.4650 17.5133 17.5133 k = 0.1628 0.1628 0.1628 ( 2659 PWs) bands (ev): -41.7476 -41.7476 -18.3853 -18.3853 -17.7297 -17.7297 -17.7238 -17.7238 8.6251 8.6251 10.7787 10.7787 10.8512 10.8512 12.3989 12.3989 12.4298 12.4298 13.1334 13.1334 16.3655 16.3655 16.4645 16.4645 16.5006 16.5006 17.4269 17.4269 17.4823 17.4823 k = 0.1686 0.1686 0.1686 ( 2659 PWs) bands (ev): -41.7469 -41.7469 -18.3871 -18.3871 -17.7318 -17.7318 -17.7258 -17.7258 8.7164 8.7164 10.8127 10.8127 10.8926 10.8926 12.3664 12.3664 12.4145 12.4145 13.0891 13.0891 16.3672 16.3672 16.4642 16.4642 16.5128 16.5128 17.3896 17.3896 17.4514 17.4514 k = 0.1744 0.1744 0.1744 ( 2659 PWs) bands (ev): -41.7463 -41.7463 -18.3890 -18.3890 -17.7339 -17.7339 -17.7278 -17.7278 8.8096 8.8096 10.8464 10.8464 10.9341 10.9341 12.3331 12.3331 12.3997 12.3997 13.0414 13.0414 16.3700 16.3700 16.4650 16.4650 16.5335 16.5335 17.3534 17.3534 17.4206 17.4206 k = 0.1802 0.1802 0.1802 ( 2653 PWs) bands (ev): -41.7457 -41.7457 -18.3908 -18.3908 -17.7360 -17.7360 -17.7299 -17.7299 8.9046 8.9046 10.8795 10.8795 10.9756 10.9756 12.2993 12.2993 12.3856 12.3856 12.9906 12.9906 16.3739 16.3739 16.4665 16.4665 16.5629 16.5629 17.3184 17.3184 17.3900 17.3900 k = 0.1860 0.1860 0.1860 ( 2653 PWs) bands (ev): -41.7450 -41.7450 -18.3927 -18.3927 -17.7381 -17.7381 -17.7320 -17.7320 9.0013 9.0013 10.9119 10.9119 11.0169 11.0169 12.2653 12.2653 12.3724 12.3724 12.9374 12.9374 16.3787 16.3787 16.4679 16.4679 16.6011 16.6011 17.2851 17.2851 17.3599 17.3599 k = 0.1919 0.1919 0.1919 ( 2659 PWs) bands (ev): -41.7443 -41.7443 -18.3946 -18.3946 -17.7402 -17.7402 -17.7341 -17.7341 9.0996 9.0996 10.9433 10.9433 11.0575 11.0575 12.2314 12.2314 12.3604 12.3604 12.8822 12.8822 16.3843 16.3843 16.4686 16.4686 16.6478 16.6478 17.2539 17.2539 17.3304 17.3304 k = 0.1977 0.1977 0.1977 ( 2659 PWs) bands (ev): -41.7437 -41.7437 -18.3965 -18.3965 -17.7423 -17.7423 -17.7363 -17.7363 9.1992 9.1992 10.9735 10.9735 11.0972 11.0972 12.1981 12.1981 12.3497 12.3497 12.8257 12.8257 16.3906 16.3906 16.4680 16.4680 16.7026 16.7026 17.2251 17.2251 17.3017 17.3017 k = 0.2035 0.2035 0.2035 ( 2653 PWs) bands (ev): -41.7430 -41.7430 -18.3985 -18.3985 -17.7445 -17.7445 -17.7385 -17.7385 9.3001 9.3001 11.0023 11.0023 11.1356 11.1356 12.1659 12.1659 12.3407 12.3407 12.7684 12.7684 16.3972 16.3972 16.4657 16.4657 16.7652 16.7652 17.1993 17.1993 17.2740 17.2740 k = 0.2093 0.2093 0.2093 ( 2647 PWs) bands (ev): -41.7423 -41.7423 -18.4004 -18.4004 -17.7466 -17.7466 -17.7407 -17.7407 9.4021 9.4021 11.0293 11.0293 11.1721 11.1721 12.1355 12.1355 12.3335 12.3335 12.7109 12.7109 16.4040 16.4040 16.4611 16.4611 16.8351 16.8351 17.1768 17.1768 17.2477 17.2477 k = 0.2151 0.2151 0.2151 ( 2647 PWs) bands (ev): -41.7416 -41.7416 -18.4024 -18.4024 -17.7487 -17.7487 -17.7430 -17.7430 9.5049 9.5049 11.0544 11.0544 11.2062 11.2062 12.1074 12.1074 12.3285 12.3285 12.6537 12.6537 16.4104 16.4104 16.4538 16.4538 16.9116 16.9116 17.1583 17.1583 17.2230 17.2230 k = 0.2209 0.2209 0.2209 ( 2653 PWs) bands (ev): -41.7409 -41.7409 -18.4043 -18.4043 -17.7508 -17.7508 -17.7452 -17.7452 9.6083 9.6083 11.0774 11.0774 11.2372 11.2372 12.0827 12.0827 12.3259 12.3259 12.5972 12.5972 16.4162 16.4162 16.4433 16.4433 16.9944 16.9944 17.1440 17.1440 17.2004 17.2004 k = 0.2267 0.2267 0.2267 ( 2647 PWs) bands (ev): -41.7402 -41.7402 -18.4063 -18.4063 -17.7529 -17.7529 -17.7475 -17.7475 9.7121 9.7121 11.0979 11.0979 11.2644 11.2644 12.0621 12.0621 12.3259 12.3259 12.5418 12.5418 16.4209 16.4209 16.4295 16.4295 17.0823 17.0823 17.1350 17.1350 17.1802 17.1802 k = 0.2326 0.2326 0.2326 ( 2647 PWs) bands (ev): -41.7395 -41.7395 -18.4083 -18.4083 -17.7550 -17.7550 -17.7498 -17.7498 9.8160 9.8160 11.1158 11.1158 11.2873 11.2873 12.0467 12.0467 12.3287 12.3287 12.4879 12.4879 16.4120 16.4120 16.4238 16.4238 17.1271 17.1271 17.1630 17.1630 17.1791 17.1791 k = 0.2384 0.2384 0.2384 ( 2647 PWs) bands (ev): -41.7388 -41.7388 -18.4103 -18.4103 -17.7570 -17.7570 -17.7521 -17.7521 9.9196 9.9196 11.1311 11.1311 11.3052 11.3052 12.0371 12.0371 12.3346 12.3346 12.4359 12.4359 16.3909 16.3909 16.4245 16.4245 17.1274 17.1274 17.1492 17.1492 17.2774 17.2774 k = 0.2442 0.2442 0.2442 ( 2653 PWs) bands (ev): -41.7381 -41.7381 -18.4123 -18.4123 -17.7591 -17.7591 -17.7544 -17.7544 10.0225 10.0225 11.1435 11.1435 11.3181 11.3181 12.0338 12.0338 12.3435 12.3435 12.3863 12.3863 16.3662 16.3662 16.4225 16.4225 17.1314 17.1314 17.1392 17.1392 17.3811 17.3811 k = 0.2500 0.2500 0.2500 ( 2671 PWs) bands (ev): -41.7374 -41.7374 -18.4142 -18.4142 -17.7612 -17.7612 -17.7567 -17.7567 10.1240 10.1240 11.1531 11.1531 11.3264 11.3264 12.0367 12.0367 12.3394 12.3394 12.3555 12.3555 16.3383 16.3383 16.4171 16.4171 17.1336 17.1336 17.1395 17.1395 17.4891 17.4891 k = 0.2558 0.2558 0.2558 ( 2656 PWs) bands (ev): -41.7367 -41.7367 -18.4162 -18.4162 -17.7632 -17.7632 -17.7590 -17.7590 10.2234 10.2234 11.1600 11.1600 11.3309 11.3309 12.0448 12.0448 12.2964 12.2964 12.3707 12.3707 16.3074 16.3074 16.4082 16.4082 17.1325 17.1325 17.1514 17.1514 17.6012 17.6012 k = 0.2616 0.2616 0.2616 ( 2656 PWs) bands (ev): -41.7361 -41.7361 -18.4182 -18.4182 -17.7652 -17.7652 -17.7613 -17.7613 10.3198 10.3198 11.1641 11.1641 11.3333 11.3333 12.0558 12.0558 12.2590 12.2590 12.3890 12.3890 16.2737 16.2737 16.3953 16.3953 17.1360 17.1360 17.1667 17.1667 17.7170 17.7170 k = 0.2674 0.2674 0.2674 ( 2650 PWs) bands (ev): -41.7354 -41.7354 -18.4202 -18.4202 -17.7673 -17.7673 -17.7636 -17.7636 10.4118 10.4118 11.1657 11.1657 11.3356 11.3356 12.0653 12.0653 12.2310 12.2310 12.4103 12.4103 16.2377 16.2377 16.3786 16.3786 17.1441 17.1441 17.1851 17.1851 17.8361 17.8361 k = 0.2733 0.2733 0.2733 ( 2653 PWs) bands (ev): -41.7347 -41.7347 -18.4222 -18.4222 -17.7693 -17.7693 -17.7659 -17.7659 10.4977 10.4977 11.1648 11.1648 11.3405 11.3405 12.0659 12.0659 12.2190 12.2190 12.4344 12.4344 16.1997 16.1997 16.3580 16.3580 17.1567 17.1567 17.2061 17.2061 17.9582 17.9582 k = 0.2791 0.2791 0.2791 ( 2647 PWs) bands (ev): -41.7340 -41.7340 -18.4241 -18.4241 -17.7713 -17.7713 -17.7682 -17.7682 10.5753 10.5753 11.1618 11.1618 11.3509 11.3509 12.0529 12.0529 12.2269 12.2269 12.4611 12.4611 16.1598 16.1598 16.3337 16.3337 17.1734 17.1734 17.2295 17.2295 18.0832 18.0832 k = 0.2849 0.2849 0.2849 ( 2647 PWs) bands (ev): -41.7333 -41.7333 -18.4261 -18.4261 -17.7732 -17.7732 -17.7705 -17.7705 10.6423 10.6423 11.1569 11.1569 11.3697 11.3697 12.0300 12.0300 12.2504 12.2504 12.4903 12.4903 16.1183 16.1183 16.3060 16.3060 17.1937 17.1937 17.2549 17.2549 18.2107 18.2107 k = 0.2907 0.2907 0.2907 ( 2653 PWs) bands (ev): -41.7326 -41.7326 -18.4280 -18.4280 -17.7752 -17.7752 -17.7727 -17.7727 10.6965 10.6965 11.1502 11.1502 11.3995 11.3995 12.0031 12.0031 12.2832 12.2832 12.5218 12.5218 16.0755 16.0755 16.2752 16.2752 17.2173 17.2173 17.2819 17.2819 18.3405 18.3405 k = 0.2965 0.2965 0.2965 ( 2653 PWs) bands (ev): -41.7320 -41.7320 -18.4299 -18.4299 -17.7772 -17.7772 -17.7749 -17.7749 10.7370 10.7370 11.1420 11.1420 11.4413 11.4413 11.9760 11.9760 12.3214 12.3214 12.5553 12.5553 16.0315 16.0315 16.2415 16.2415 17.2437 17.2437 17.3104 17.3104 18.4722 18.4722 k = 0.3023 0.3023 0.3023 ( 2653 PWs) bands (ev): -41.7313 -41.7313 -18.4319 -18.4319 -17.7791 -17.7791 -17.7771 -17.7771 10.7644 10.7644 11.1325 11.1325 11.4940 11.4940 11.9510 11.9510 12.3631 12.3631 12.5906 12.5906 15.9864 15.9864 16.2054 16.2054 17.2726 17.2726 17.3402 17.3402 18.6057 18.6057 k = 0.3081 0.3081 0.3081 ( 2656 PWs) bands (ev): -41.7307 -41.7307 -18.4338 -18.4338 -17.7810 -17.7810 -17.7793 -17.7793 10.7807 10.7807 11.1220 11.1220 11.5542 11.5542 11.9305 11.9305 12.4074 12.4074 12.6277 12.6277 15.9404 15.9404 16.1669 16.1669 17.3034 17.3034 17.3709 17.3709 18.7406 18.7406 k = 0.3140 0.3140 0.3140 ( 2650 PWs) bands (ev): -41.7300 -41.7300 -18.4357 -18.4357 -17.7829 -17.7829 -17.7815 -17.7815 10.7886 10.7886 11.1107 11.1107 11.6156 11.6156 11.9184 11.9184 12.4536 12.4536 12.6662 12.6662 15.8936 15.8936 16.1265 16.1265 17.3358 17.3358 17.4023 17.4023 18.8766 18.8766 k = 0.3198 0.3198 0.3198 ( 2650 PWs) bands (ev): -41.7294 -41.7294 -18.4375 -18.4375 -17.7848 -17.7848 -17.7836 -17.7836 10.7906 10.7906 11.0987 11.0987 11.6686 11.6686 11.9223 11.9223 12.5013 12.5013 12.7061 12.7061 15.8462 15.8462 16.0841 16.0841 17.3695 17.3695 17.4344 17.4344 19.0134 19.0134 k = 0.3256 0.3256 0.3256 ( 2644 PWs) bands (ev): -41.7288 -41.7288 -18.4394 -18.4394 -17.7866 -17.7866 -17.7857 -17.7857 10.7887 10.7887 11.0862 11.0862 11.7010 11.7010 11.9521 11.9521 12.5503 12.5503 12.7472 12.7472 15.7980 15.7980 16.0401 16.0401 17.4042 17.4042 17.4669 17.4669 19.1506 19.1506 k = 0.3314 0.3314 0.3314 ( 2644 PWs) bands (ev): -41.7282 -41.7282 -18.4412 -18.4412 -17.7885 -17.7885 -17.7877 -17.7877 10.7846 10.7846 11.0733 11.0733 11.7103 11.7103 12.0088 12.0088 12.6005 12.6005 12.7895 12.7895 15.7494 15.7494 15.9945 15.9945 17.4396 17.4396 17.4997 17.4997 19.2878 19.2878 k = 0.3372 0.3372 0.3372 ( 2644 PWs) bands (ev): -41.7276 -41.7276 -18.4430 -18.4430 -17.7903 -17.7903 -17.7897 -17.7897 10.7794 10.7794 11.0602 11.0602 11.7051 11.7051 12.0826 12.0826 12.6518 12.6518 12.8327 12.8327 15.7002 15.7002 15.9475 15.9475 17.4754 17.4754 17.5325 17.5325 19.4244 19.4244 k = 0.3430 0.3430 0.3430 ( 2644 PWs) bands (ev): -41.7270 -41.7270 -18.4447 -18.4447 -17.7921 -17.7921 -17.7917 -17.7917 10.7739 10.7739 11.0471 11.0471 11.6931 11.6931 12.1645 12.1645 12.7044 12.7044 12.8768 12.8768 15.6507 15.6507 15.8991 15.8991 17.5115 17.5115 17.5653 17.5653 19.5597 19.5597 k = 0.3488 0.3488 0.3488 ( 2650 PWs) bands (ev): -41.7264 -41.7264 -18.4465 -18.4465 -17.7938 -17.7938 -17.7936 -17.7936 10.7687 10.7687 11.0339 11.0339 11.6784 11.6784 12.2496 12.2496 12.7583 12.7583 12.9218 12.9218 15.6008 15.6008 15.8496 15.8496 17.5475 17.5475 17.5980 17.5980 19.6929 19.6929 k = 0.3547 0.3547 0.3547 ( 2650 PWs) bands (ev): -41.7258 -41.7258 -18.4481 -18.4481 -17.7956 -17.7956 -17.7955 -17.7955 10.7642 10.7642 11.0208 11.0208 11.6628 11.6628 12.3353 12.3353 12.8136 12.8136 12.9676 12.9676 15.5506 15.5506 15.7990 15.7990 17.5832 17.5832 17.6302 17.6302 19.8227 19.8227 k = 0.3605 0.3605 0.3605 ( 2650 PWs) bands (ev): -41.7253 -41.7253 -18.4498 -18.4498 -17.7973 -17.7973 -17.7973 -17.7973 10.7605 10.7605 11.0079 11.0079 11.6473 11.6473 12.4199 12.4199 12.8704 12.8704 13.0140 13.0140 15.5003 15.5003 15.7473 15.7473 17.6186 17.6186 17.6621 17.6621 19.9475 19.9475 k = 0.3663 0.3663 0.3663 ( 2650 PWs) bands (ev): -41.7248 -41.7248 -18.4514 -18.4514 -17.7990 -17.7990 -17.7989 -17.7989 10.7579 10.7579 10.9952 10.9952 11.6323 11.6323 12.5024 12.5024 12.9291 12.9291 13.0611 13.0611 15.4498 15.4498 15.6946 15.6946 17.6534 17.6534 17.6934 17.6934 20.0650 20.0650 k = 0.3721 0.3721 0.3721 ( 2647 PWs) bands (ev): -41.7243 -41.7243 -18.4530 -18.4530 -17.8008 -17.8008 -17.8005 -17.8005 10.7565 10.7565 10.9829 10.9829 11.6182 11.6182 12.5817 12.5817 12.9898 12.9898 13.1089 13.1089 15.3992 15.3992 15.6411 15.6411 17.6875 17.6875 17.7240 17.7240 20.1723 20.1723 k = 0.3779 0.3779 0.3779 ( 2641 PWs) bands (ev): -41.7238 -41.7238 -18.4545 -18.4545 -17.8024 -17.8024 -17.8021 -17.8021 10.7562 10.7562 10.9709 10.9709 11.6049 11.6049 12.6575 12.6575 13.0524 13.0524 13.1572 13.1572 15.3486 15.3486 15.5867 15.5867 17.7207 17.7207 17.7538 17.7538 20.2654 20.2654 k = 0.3837 0.3837 0.3837 ( 2647 PWs) bands (ev): -41.7233 -41.7233 -18.4560 -18.4560 -17.8040 -17.8040 -17.8036 -17.8036 10.7571 10.7571 10.9593 10.9593 11.5928 11.5928 12.7292 12.7292 13.1170 13.1170 13.2061 13.2061 15.2981 15.2981 15.5316 15.5316 17.7529 17.7529 17.7827 17.7827 20.3397 20.3397 k = 0.3895 0.3895 0.3895 ( 2647 PWs) bands (ev): -41.7228 -41.7228 -18.4575 -18.4575 -17.8055 -17.8055 -17.8051 -17.8051 10.7590 10.7590 10.9482 10.9482 11.5817 11.5817 12.7968 12.7968 13.1834 13.1834 13.2555 13.2555 15.2477 15.2477 15.4759 15.4759 17.7840 17.7840 17.8107 17.8107 20.3908 20.3908 k = 0.3953 0.3953 0.3953 ( 2647 PWs) bands (ev): -41.7224 -41.7224 -18.4588 -18.4588 -17.8070 -17.8070 -17.8066 -17.8066 10.7620 10.7620 10.9375 10.9375 11.5717 11.5717 12.8602 12.8602 13.2510 13.2510 13.3054 13.3054 15.1975 15.1975 15.4195 15.4195 17.8139 17.8139 17.8376 17.8376 20.4163 20.4163 k = 0.4012 0.4012 0.4012 ( 2650 PWs) bands (ev): -41.7220 -41.7220 -18.4602 -18.4602 -17.8084 -17.8084 -17.8079 -17.8079 10.7658 10.7658 10.9273 10.9273 11.5628 11.5628 12.9197 12.9197 13.3195 13.3195 13.3558 13.3558 15.1476 15.1476 15.3627 15.3627 17.8425 17.8425 17.8634 17.8634 20.4168 20.4168 k = 0.4070 0.4070 0.4070 ( 2644 PWs) bands (ev): -41.7216 -41.7216 -18.4614 -18.4614 -17.8097 -17.8097 -17.8093 -17.8093 10.7704 10.7704 10.9176 10.9176 11.5550 11.5550 12.9756 12.9756 13.3882 13.3882 13.4067 13.4067 15.0982 15.0982 15.3053 15.3053 17.8697 17.8697 17.8880 17.8880 20.3960 20.3960 k = 0.4128 0.4128 0.4128 ( 2644 PWs) bands (ev): -41.7212 -41.7212 -18.4626 -18.4626 -17.8110 -17.8110 -17.8105 -17.8105 10.7756 10.7756 10.9085 10.9085 11.5482 11.5482 13.0281 13.0281 13.4565 13.4565 13.4579 13.4579 15.0491 15.0491 15.2477 15.2477 17.8955 17.8955 17.9113 17.9113 20.3587 20.3587 k = 0.4186 0.4186 0.4186 ( 2644 PWs) bands (ev): -41.7208 -41.7208 -18.4638 -18.4638 -17.8121 -17.8121 -17.8117 -17.8117 10.7813 10.7813 10.8999 10.8999 11.5425 11.5425 13.0776 13.0776 13.5096 13.5096 13.5239 13.5239 15.0007 15.0007 15.1897 15.1897 17.9197 17.9197 17.9334 17.9334 20.3100 20.3100 k = 0.4244 0.4244 0.4244 ( 2632 PWs) bands (ev): -41.7205 -41.7205 -18.4649 -18.4649 -17.8132 -17.8132 -17.8129 -17.8129 10.7874 10.7874 10.8919 10.8919 11.5378 11.5378 13.1241 13.1241 13.5616 13.5616 13.5898 13.5898 14.9529 14.9529 15.1316 15.1316 17.9424 17.9424 17.9540 17.9540 20.2541 20.2541 k = 0.4302 0.4302 0.4302 ( 2632 PWs) bands (ev): -41.7202 -41.7202 -18.4659 -18.4659 -17.8143 -17.8143 -17.8139 -17.8139 10.7936 10.7936 10.8845 10.8845 11.5339 11.5339 13.1679 13.1679 13.6139 13.6139 13.6538 13.6538 14.9059 14.9059 15.0734 15.0734 17.9636 17.9636 17.9733 17.9733 20.1942 20.1942 k = 0.4360 0.4360 0.4360 ( 2626 PWs) bands (ev): -41.7199 -41.7199 -18.4668 -18.4668 -17.8152 -17.8152 -17.8149 -17.8149 10.7999 10.7999 10.8776 10.8776 11.5309 11.5309 13.2091 13.2091 13.6664 13.6664 13.7156 13.7156 14.8599 14.8599 15.0152 15.0152 17.9830 17.9830 17.9911 17.9911 20.1329 20.1329 k = 0.4419 0.4419 0.4419 ( 2620 PWs) bands (ev): -41.7196 -41.7196 -18.4677 -18.4677 -17.8161 -17.8161 -17.8158 -17.8158 10.8061 10.8061 10.8713 10.8713 11.5287 11.5287 13.2475 13.2475 13.7190 13.7190 13.7747 13.7747 14.8149 14.8149 14.9573 14.9573 18.0009 18.0009 18.0074 18.0074 20.0721 20.0721 k = 0.4477 0.4477 0.4477 ( 2620 PWs) bands (ev): -41.7194 -41.7194 -18.4684 -18.4684 -17.8169 -17.8169 -17.8167 -17.8167 10.8121 10.8121 10.8657 10.8657 11.5270 11.5270 13.2832 13.2832 13.7716 13.7716 13.8310 13.8310 14.7711 14.7711 14.8996 14.8996 18.0171 18.0171 18.0223 18.0223 20.0135 20.0135 k = 0.4535 0.4535 0.4535 ( 2611 PWs) bands (ev): -41.7192 -41.7192 -18.4692 -18.4692 -17.8176 -17.8176 -17.8174 -17.8174 10.8178 10.8178 10.8606 10.8606 11.5260 11.5260 13.3160 13.3160 13.8241 13.8241 13.8842 13.8842 14.7287 14.7287 14.8426 14.8426 18.0315 18.0315 18.0356 18.0356 19.9583 19.9583 k = 0.4593 0.4593 0.4593 ( 2617 PWs) bands (ev): -41.7190 -41.7190 -18.4698 -18.4698 -17.8183 -17.8183 -17.8181 -17.8181 10.8230 10.8230 10.8561 10.8561 11.5254 11.5254 13.3457 13.3457 13.8761 13.8761 13.9341 13.9341 14.6881 14.6881 14.7865 14.7865 18.0443 18.0443 18.0474 18.0474 19.9074 19.9074 k = 0.4651 0.4651 0.4651 ( 2605 PWs) bands (ev): -41.7188 -41.7188 -18.4703 -18.4703 -17.8188 -17.8188 -17.8187 -17.8187 10.8277 10.8277 10.8522 10.8522 11.5251 11.5251 13.3721 13.3721 13.9272 13.9272 13.9803 13.9803 14.6495 14.6495 14.7316 14.7316 18.0554 18.0554 18.0577 18.0577 19.8618 19.8618 k = 0.4709 0.4709 0.4709 ( 2608 PWs) bands (ev): -41.7187 -41.7187 -18.4708 -18.4708 -17.8193 -17.8193 -17.8192 -17.8192 10.8317 10.8317 10.8489 10.8489 11.5250 11.5250 13.3951 13.3951 13.9770 13.9770 14.0224 14.0224 14.6135 14.6135 14.6788 14.6788 18.0648 18.0648 18.0664 18.0664 19.8220 19.8220 k = 0.4767 0.4767 0.4767 ( 2608 PWs) bands (ev): -41.7186 -41.7186 -18.4712 -18.4712 -17.8197 -17.8197 -17.8196 -17.8196 10.8352 10.8352 10.8462 10.8462 11.5252 11.5252 13.4143 13.4143 14.0242 14.0242 14.0598 14.0598 14.5808 14.5808 14.6289 14.6289 18.0725 18.0725 18.0735 18.0735 19.7888 19.7888 k = 0.4826 0.4826 0.4826 ( 2608 PWs) bands (ev): -41.7185 -41.7185 -18.4715 -18.4715 -17.8200 -17.8200 -17.8199 -17.8199 10.8379 10.8379 10.8441 10.8441 11.5254 11.5254 13.4295 13.4295 14.0673 14.0673 14.0915 14.0915 14.5526 14.5526 14.5838 14.5838 18.0785 18.0785 18.0790 18.0790 19.7625 19.7625 k = 0.4884 0.4884 0.4884 ( 2608 PWs) bands (ev): -41.7184 -41.7184 -18.4717 -18.4717 -17.8202 -17.8202 -17.8202 -17.8202 10.8398 10.8398 10.8426 10.8426 11.5255 11.5255 13.4406 13.4406 14.1035 14.1035 14.1162 14.1162 14.5303 14.5303 14.5461 14.5461 18.0828 18.0828 18.0830 18.0830 19.7434 19.7434 k = 0.4942 0.4942 0.4942 ( 2608 PWs) bands (ev): -41.7184 -41.7184 -18.4718 -18.4718 -17.8203 -17.8203 -17.8203 -17.8203 10.8410 10.8410 10.8417 10.8417 11.5257 11.5257 13.4473 13.4473 14.1286 14.1286 14.1322 14.1322 14.5157 14.5157 14.5201 14.5201 18.0853 18.0853 18.0854 18.0854 19.7319 19.7319 k = 0.5000 0.5000 0.5000 ( 2608 PWs) bands (ev): -41.7183 -41.7183 -18.4719 -18.4719 -17.8204 -17.8204 -17.8204 -17.8204 10.8414 10.8414 10.8414 10.8414 11.5257 11.5257 13.4495 13.4495 14.1377 14.1377 14.1377 14.1377 14.5107 14.5107 14.5107 14.5107 18.0862 18.0862 18.0862 18.0862 19.7280 19.7280 k = 0.5000 0.5000 0.5000 ( 2608 PWs) bands (ev): -41.7183 -41.7183 -18.4719 -18.4719 -17.8204 -17.8204 -17.8204 -17.8204 10.8414 10.8414 10.8414 10.8414 11.5257 11.5257 13.4495 13.4495 14.1377 14.1377 14.1377 14.1377 14.5107 14.5107 14.5107 14.5107 18.0862 18.0862 18.0862 18.0862 19.7280 19.7280 k = 0.4929 0.5000 0.4929 ( 2608 PWs) bands (ev): -41.7184 -41.7184 -18.4718 -18.4718 -17.8203 -17.8203 -17.8203 -17.8203 10.8410 10.8410 10.8418 10.8418 11.5257 11.5257 13.4473 13.4473 14.1259 14.1259 14.1349 14.1349 14.5138 14.5138 14.5220 14.5220 18.0850 18.0850 18.0857 18.0857 19.7319 19.7319 k = 0.4857 0.5000 0.4857 ( 2608 PWs) bands (ev): -41.7184 -41.7184 -18.4717 -18.4717 -17.8203 -17.8203 -17.8201 -17.8201 10.8397 10.8397 10.8427 10.8427 11.5255 11.5255 13.4404 13.4404 14.0937 14.0937 14.1271 14.1271 14.5228 14.5228 14.5527 14.5527 18.0813 18.0813 18.0844 18.0844 19.7435 19.7435 k = 0.4786 0.5000 0.4786 ( 2608 PWs) bands (ev): -41.7185 -41.7185 -18.4715 -18.4715 -17.8202 -17.8202 -17.8197 -17.8197 10.8376 10.8376 10.8444 10.8444 11.5254 11.5254 13.4287 13.4287 14.0477 14.0477 14.1158 14.1158 14.5363 14.5363 14.5961 14.5961 18.0753 18.0753 18.0822 18.0822 19.7627 19.7627 k = 0.4714 0.5000 0.4714 ( 2608 PWs) bands (ev): -41.7186 -41.7186 -18.4712 -18.4712 -17.8201 -17.8201 -17.8192 -17.8192 10.8346 10.8346 10.8467 10.8467 11.5252 11.5252 13.4119 13.4119 13.9929 13.9929 14.1032 14.1032 14.5530 14.5530 14.6470 14.6470 18.0668 18.0668 18.0791 18.0791 19.7891 19.7891 k = 0.4643 0.5000 0.4643 ( 2608 PWs) bands (ev): -41.7187 -41.7187 -18.4708 -18.4708 -17.8199 -17.8199 -17.8186 -17.8186 10.8308 10.8308 10.8496 10.8496 11.5250 11.5250 13.3899 13.3899 13.9322 13.9322 14.0911 14.0911 14.5714 14.5714 14.7022 14.7022 18.0559 18.0559 18.0752 18.0752 19.8225 19.8225 k = 0.4571 0.5000 0.4571 ( 2608 PWs) bands (ev): -41.7188 -41.7188 -18.4703 -18.4703 -17.8197 -17.8197 -17.8178 -17.8178 10.8262 10.8262 10.8532 10.8532 11.5251 11.5251 13.3623 13.3623 13.8673 13.8673 14.0811 14.0811 14.5906 14.5906 14.7599 14.7599 18.0427 18.0427 18.0704 18.0704 19.8624 19.8624 k = 0.4500 0.5000 0.4500 ( 2614 PWs) bands (ev): -41.7190 -41.7190 -18.4698 -18.4698 -17.8195 -17.8195 -17.8169 -17.8169 10.8207 10.8207 10.8575 10.8575 11.5253 11.5253 13.3294 13.3294 13.7992 13.7992 14.0740 14.0740 14.6098 14.6098 14.8190 14.8190 18.0270 18.0270 18.0649 18.0649 19.9082 19.9082 k = 0.4429 0.5000 0.4429 ( 2622 PWs) bands (ev): -41.7192 -41.7192 -18.4692 -18.4692 -17.8192 -17.8192 -17.8158 -17.8158 10.8146 10.8146 10.8624 10.8624 11.5259 11.5259 13.2913 13.2913 13.7285 13.7285 14.0706 14.0706 14.6285 14.6285 14.8788 14.8788 18.0091 18.0091 18.0586 18.0586 19.9592 19.9592 k = 0.4357 0.5000 0.4357 ( 2630 PWs) bands (ev): -41.7194 -41.7194 -18.4684 -18.4684 -17.8189 -17.8189 -17.8146 -17.8146 10.8077 10.8077 10.8679 10.8679 11.5270 11.5270 13.2483 13.2483 13.6557 13.6557 14.0709 14.0709 14.6464 14.6464 14.9388 14.9388 17.9888 17.9888 18.0516 18.0516 20.0148 20.0148 k = 0.4286 0.5000 0.4286 ( 2626 PWs) bands (ev): -41.7196 -41.7196 -18.4677 -18.4677 -17.8186 -17.8186 -17.8133 -17.8133 10.8001 10.8001 10.8741 10.8741 11.5286 11.5286 13.2010 13.2010 13.5812 13.5812 14.0747 14.0747 14.6633 14.6633 14.9987 14.9987 17.9661 17.9661 18.0439 18.0439 20.0740 20.0740 k = 0.4214 0.5000 0.4214 ( 2634 PWs) bands (ev): -41.7199 -41.7199 -18.4668 -18.4668 -17.8182 -17.8182 -17.8119 -17.8119 10.7919 10.7919 10.8810 10.8810 11.5308 11.5308 13.1497 13.1497 13.5056 13.5056 14.0817 14.0817 14.6790 14.6790 15.0581 15.0581 17.9413 17.9413 18.0356 18.0356 20.1358 20.1358 k = 0.4143 0.5000 0.4143 ( 2626 PWs) bands (ev): -41.7202 -41.7202 -18.4659 -18.4659 -17.8178 -17.8178 -17.8103 -17.8103 10.7832 10.7832 10.8884 10.8884 11.5337 11.5337 13.0949 13.0949 13.4293 13.4293 14.0914 14.0914 14.6936 14.6936 15.1169 15.1169 17.9141 17.9141 18.0267 18.0267 20.1989 20.1989 k = 0.4071 0.5000 0.4071 ( 2630 PWs) bands (ev): -41.7205 -41.7205 -18.4649 -18.4649 -17.8174 -17.8174 -17.8086 -17.8086 10.7740 10.7740 10.8965 10.8965 11.5373 11.5373 13.0369 13.0369 13.3528 13.3528 14.1035 14.1035 14.7071 14.7071 15.1748 15.1748 17.8848 17.8848 18.0173 18.0173 20.2619 20.2619 k = 0.4000 0.5000 0.4000 ( 2626 PWs) bands (ev): -41.7208 -41.7208 -18.4638 -18.4638 -17.8170 -17.8170 -17.8068 -17.8068 10.7644 10.7644 10.9052 10.9052 11.5418 11.5418 12.9759 12.9759 13.2768 13.2768 14.1174 14.1174 14.7195 14.7195 15.2317 15.2317 17.8533 17.8533 18.0075 18.0075 20.3231 20.3231 k = 0.3929 0.5000 0.3929 ( 2634 PWs) bands (ev): -41.7212 -41.7212 -18.4627 -18.4627 -17.8165 -17.8165 -17.8049 -17.8049 10.7546 10.7546 10.9145 10.9145 11.5471 11.5471 12.9120 12.9120 13.2017 13.2017 14.1326 14.1326 14.7309 14.7309 15.2873 15.2873 17.8196 17.8196 17.9973 17.9973 20.3805 20.3805 k = 0.3857 0.5000 0.3857 ( 2634 PWs) bands (ev): -41.7215 -41.7215 -18.4616 -18.4616 -17.8160 -17.8160 -17.8029 -17.8029 10.7446 10.7446 10.9244 10.9244 11.5532 11.5532 12.8455 12.8455 13.1281 13.1281 14.1488 14.1488 14.7414 14.7414 15.3417 15.3417 17.7838 17.7838 17.9869 17.9869 20.4316 20.4316 k = 0.3786 0.5000 0.3786 ( 2634 PWs) bands (ev): -41.7219 -41.7219 -18.4604 -18.4604 -17.8155 -17.8155 -17.8008 -17.8008 10.7345 10.7345 10.9349 10.9349 11.5601 11.5601 12.7764 12.7764 13.0566 13.0566 14.1654 14.1654 14.7510 14.7510 15.3946 15.3946 17.7460 17.7460 17.9762 17.9762 20.4737 20.4737 k = 0.3714 0.5000 0.3714 ( 2638 PWs) bands (ev): -41.7223 -41.7223 -18.4591 -18.4591 -17.8150 -17.8150 -17.7986 -17.7986 10.7244 10.7244 10.9459 10.9459 11.5679 11.5679 12.7048 12.7048 12.9875 12.9875 14.1822 14.1822 14.7598 14.7598 15.4459 15.4459 17.7062 17.7062 17.9654 17.9654 20.5040 20.5040 k = 0.3643 0.5000 0.3643 ( 2642 PWs) bands (ev): -41.7228 -41.7228 -18.4578 -18.4578 -17.8144 -17.8144 -17.7962 -17.7962 10.7146 10.7146 10.9575 10.9575 11.5763 11.5763 12.6312 12.6312 12.9211 12.9211 14.1988 14.1988 14.7679 14.7679 15.4956 15.4956 17.6644 17.6644 17.9545 17.9545 20.5196 20.5196 k = 0.3571 0.5000 0.3571 ( 2642 PWs) bands (ev): -41.7232 -41.7232 -18.4564 -18.4564 -17.8138 -17.8138 -17.7938 -17.7938 10.7049 10.7049 10.9697 10.9697 11.5852 11.5852 12.5561 12.5561 12.8575 12.8575 14.2148 14.2148 14.7754 14.7754 15.5435 15.5435 17.6207 17.6207 17.9437 17.9437 20.5184 20.5184 k = 0.3500 0.5000 0.3500 ( 2638 PWs) bands (ev): -41.7237 -41.7237 -18.4550 -18.4550 -17.8132 -17.8132 -17.7913 -17.7913 10.6957 10.6957 10.9823 10.9823 11.5945 11.5945 12.4799 12.4799 12.7968 12.7968 14.2298 14.2298 14.7824 14.7824 15.5896 15.5896 17.5752 17.5752 17.9330 17.9330 20.4994 20.4994 k = 0.3429 0.5000 0.3429 ( 2642 PWs) bands (ev): -41.7241 -41.7241 -18.4536 -18.4536 -17.8126 -17.8126 -17.7888 -17.7888 10.6869 10.6869 10.9954 10.9954 11.6038 11.6038 12.4034 12.4034 12.7388 12.7388 14.2437 14.2437 14.7890 14.7890 15.6338 15.6338 17.5278 17.5278 17.9225 17.9225 20.4628 20.4628 k = 0.3357 0.5000 0.3357 ( 2636 PWs) bands (ev): -41.7246 -41.7246 -18.4522 -18.4522 -17.8120 -17.8120 -17.7862 -17.7862 10.6787 10.6787 11.0090 11.0090 11.6126 11.6126 12.3276 12.3276 12.6836 12.6836 14.2560 14.2560 14.7953 14.7953 15.6761 15.6761 17.4787 17.4787 17.9123 17.9123 20.4100 20.4100 k = 0.3286 0.5000 0.3286 ( 2636 PWs) bands (ev): -41.7251 -41.7251 -18.4507 -18.4507 -17.8114 -17.8114 -17.7835 -17.7835 10.6712 10.6712 11.0230 11.0230 11.6203 11.6203 12.2535 12.2535 12.6311 12.6311 14.2665 14.2665 14.8013 14.8013 15.7164 15.7164 17.4279 17.4279 17.9025 17.9025 20.3433 20.3433 k = 0.3214 0.5000 0.3214 ( 2636 PWs) bands (ev): -41.7256 -41.7256 -18.4493 -18.4493 -17.8107 -17.8107 -17.7807 -17.7807 10.6644 10.6644 11.0373 11.0373 11.6257 11.6257 12.1824 12.1824 12.5814 12.5814 14.2749 14.2749 14.8073 14.8073 15.7546 15.7546 17.3754 17.3754 17.8930 17.8930 20.2652 20.2652 k = 0.3143 0.5000 0.3143 ( 2640 PWs) bands (ev): -41.7261 -41.7261 -18.4478 -18.4478 -17.8101 -17.8101 -17.7779 -17.7779 10.6585 10.6585 11.0519 11.0519 11.6272 11.6272 12.1162 12.1162 12.5344 12.5344 14.2809 14.2809 14.8133 14.8133 15.7907 15.7907 17.3215 17.3215 17.8841 17.8841 20.1782 20.1782 k = 0.3071 0.5000 0.3071 ( 2640 PWs) bands (ev): -41.7267 -41.7267 -18.4463 -18.4463 -17.8094 -17.8094 -17.7750 -17.7750 10.6534 10.6534 11.0668 11.0668 11.6225 11.6225 12.0575 12.0575 12.4904 12.4904 14.2844 14.2844 14.8194 14.8194 15.8248 15.8248 17.2660 17.2660 17.8756 17.8756 20.0843 20.0843 k = 0.3000 0.5000 0.3000 ( 2644 PWs) bands (ev): -41.7272 -41.7272 -18.4447 -18.4447 -17.8088 -17.8088 -17.7721 -17.7721 10.6492 10.6492 11.0818 11.0818 11.6088 11.6088 12.0091 12.0091 12.4495 12.4495 14.2851 14.2851 14.8258 14.8258 15.8568 15.8568 17.2090 17.2090 17.8676 17.8676 19.9851 19.9851 k = 0.2929 0.5000 0.2929 ( 2644 PWs) bands (ev): -41.7277 -41.7277 -18.4432 -18.4432 -17.8081 -17.8081 -17.7692 -17.7692 10.6459 10.6459 11.0969 11.0969 11.5835 11.5835 11.9737 11.9737 12.4120 12.4120 14.2828 14.2828 14.8323 14.8323 15.8867 15.8867 17.1508 17.1508 17.8601 17.8601 19.8821 19.8821 k = 0.2857 0.5000 0.2857 ( 2652 PWs) bands (ev): -41.7283 -41.7283 -18.4417 -18.4417 -17.8074 -17.8074 -17.7662 -17.7662 10.6436 10.6436 11.1118 11.1118 11.5462 11.5462 11.9516 11.9516 12.3784 12.3784 14.2773 14.2773 14.8393 14.8393 15.9146 15.9146 17.0912 17.0912 17.8532 17.8532 19.7762 19.7762 k = 0.2786 0.5000 0.2786 ( 2648 PWs) bands (ev): -41.7288 -41.7288 -18.4402 -18.4402 -17.8067 -17.8067 -17.7632 -17.7632 10.6422 10.6422 11.1265 11.1265 11.4988 11.4988 11.9409 11.9409 12.3490 12.3490 14.2687 14.2687 14.8466 14.8466 15.9404 15.9404 17.0305 17.0305 17.8467 17.8467 19.6680 19.6680 k = 0.2714 0.5000 0.2714 ( 2648 PWs) bands (ev): -41.7294 -41.7294 -18.4388 -18.4388 -17.8060 -17.8060 -17.7602 -17.7602 10.6416 10.6416 11.1406 11.1406 11.4445 11.4445 11.9380 11.9380 12.3247 12.3247 14.2568 14.2568 14.8542 14.8542 15.9641 15.9641 16.9686 16.9686 17.8407 17.8407 19.5582 19.5582 k = 0.2643 0.5000 0.2643 ( 2652 PWs) bands (ev): -41.7300 -41.7300 -18.4373 -18.4373 -17.8054 -17.8054 -17.7572 -17.7572 10.6417 10.6417 11.1537 11.1537 11.3869 11.3869 11.9396 11.9396 12.3061 12.3061 14.2417 14.2417 14.8623 14.8623 15.9859 15.9859 16.9056 16.9056 17.8350 17.8350 19.4471 19.4471 k = 0.2571 0.5000 0.2571 ( 2648 PWs) bands (ev): -41.7305 -41.7305 -18.4358 -18.4358 -17.8047 -17.8047 -17.7542 -17.7542 10.6424 10.6424 11.1647 11.1647 11.3290 11.3290 11.9431 11.9431 12.2941 12.2941 14.2232 14.2232 14.8707 14.8707 16.0057 16.0057 16.8417 16.8417 17.8295 17.8295 19.3349 19.3349 k = 0.2500 0.5000 0.2500 ( 2644 PWs) bands (ev): -41.7311 -41.7311 -18.4344 -18.4344 -17.8040 -17.8040 -17.7512 -17.7512 10.6432 10.6432 11.1704 11.1704 11.2758 11.2758 11.9465 11.9465 12.2893 12.2893 14.2016 14.2016 14.8795 14.8795 16.0236 16.0236 16.7770 16.7770 17.8242 17.8242 19.2220 19.2220 k = 0.2429 0.5000 0.2429 ( 2644 PWs) bands (ev): -41.7316 -41.7316 -18.4330 -18.4330 -17.8033 -17.8033 -17.7482 -17.7482 10.6437 10.6437 11.1597 11.1597 11.2396 11.2396 11.9489 11.9489 12.2921 12.2921 14.1767 14.1767 14.8886 14.8886 16.0396 16.0396 16.7115 16.7115 17.8189 17.8189 19.1083 19.1083 k = 0.2357 0.5000 0.2357 ( 2644 PWs) bands (ev): -41.7322 -41.7322 -18.4316 -18.4316 -17.8027 -17.8027 -17.7452 -17.7452 10.6433 10.6433 11.1232 11.1232 11.2311 11.2311 11.9500 11.9500 12.3022 12.3022 14.1488 14.1488 14.8979 14.8979 16.0538 16.0538 16.6453 16.6453 17.8133 17.8133 18.9942 18.9942 k = 0.2286 0.5000 0.2286 ( 2640 PWs) bands (ev): -41.7327 -41.7327 -18.4303 -18.4303 -17.8020 -17.8020 -17.7422 -17.7422 10.6408 10.6408 11.0775 11.0775 11.2350 11.2350 11.9500 11.9500 12.3192 12.3192 14.1180 14.1180 14.9075 14.9075 16.0662 16.0662 16.5785 16.5785 17.8074 17.8074 18.8796 18.8796 k = 0.2214 0.5000 0.2214 ( 2640 PWs) bands (ev): -41.7333 -41.7333 -18.4290 -18.4290 -17.8014 -17.8014 -17.7392 -17.7392 10.6350 10.6350 11.0338 11.0338 11.2414 11.2414 11.9498 11.9498 12.3421 12.3421 14.0842 14.0842 14.9172 14.9172 16.0769 16.0769 16.5114 16.5114 17.8009 17.8009 18.7648 18.7648 k = 0.2143 0.5000 0.2143 ( 2636 PWs) bands (ev): -41.7338 -41.7338 -18.4277 -18.4277 -17.8007 -17.8007 -17.7363 -17.7363 10.6241 10.6241 10.9967 10.9967 11.2478 11.2478 11.9502 11.9502 12.3701 12.3701 14.0478 14.0478 14.9271 14.9271 16.0859 16.0859 16.4440 16.4440 17.7936 17.7936 18.6499 18.6499 k = 0.2071 0.5000 0.2071 ( 2648 PWs) bands (ev): -41.7344 -41.7344 -18.4264 -18.4264 -17.8001 -17.8001 -17.7335 -17.7335 10.6066 10.6066 10.9686 10.9686 11.2532 11.2532 11.9518 11.9518 12.4024 12.4024 14.0088 14.0088 14.9370 14.9370 16.0931 16.0931 16.3766 16.3766 17.7852 17.7852 18.5349 18.5349 k = 0.2000 0.5000 0.2000 ( 2656 PWs) bands (ev): -41.7349 -41.7349 -18.4252 -18.4252 -17.7995 -17.7995 -17.7306 -17.7306 10.5818 10.5818 10.9504 10.9504 11.2575 11.2575 11.9552 11.9552 12.4382 12.4382 13.9675 13.9675 14.9470 14.9470 16.0983 16.0983 16.3095 16.3095 17.7755 17.7755 18.4200 18.4200 k = 0.1929 0.5000 0.1929 ( 2652 PWs) bands (ev): -41.7354 -41.7354 -18.4241 -18.4241 -17.7989 -17.7989 -17.7278 -17.7278 10.5502 10.5502 10.9421 10.9421 11.2606 11.2606 11.9608 11.9608 12.4771 12.4771 13.9238 13.9238 14.9570 14.9570 16.1008 16.1008 16.2438 16.2438 17.7643 17.7643 18.3054 18.3054 k = 0.1857 0.5000 0.1857 ( 2650 PWs) bands (ev): -41.7359 -41.7359 -18.4229 -18.4229 -17.7983 -17.7983 -17.7251 -17.7251 10.5132 10.5132 10.9420 10.9420 11.2624 11.2624 11.9689 11.9689 12.5185 12.5185 13.8781 13.8781 14.9670 14.9670 16.0974 16.0974 16.1828 16.1828 17.7514 17.7514 18.1912 18.1912 k = 0.1786 0.5000 0.1786 ( 2650 PWs) bands (ev): -41.7364 -41.7364 -18.4219 -18.4219 -17.7977 -17.7977 -17.7224 -17.7224 10.4726 10.4726 10.9486 10.9486 11.2634 11.2634 11.9795 11.9795 12.5621 12.5621 13.8305 13.8305 14.9770 14.9770 16.0733 16.0733 16.1415 16.1415 17.7366 17.7366 18.0774 18.0774 k = 0.1714 0.5000 0.1714 ( 2662 PWs) bands (ev): -41.7369 -41.7369 -18.4208 -18.4208 -17.7971 -17.7971 -17.7198 -17.7198 10.4299 10.4299 10.9599 10.9599 11.2638 11.2638 11.9925 11.9925 12.6076 12.6076 13.7811 13.7811 14.9869 14.9869 16.0198 16.0198 16.1289 16.1289 17.7198 17.7198 17.9644 17.9644 k = 0.1643 0.5000 0.1643 ( 2672 PWs) bands (ev): -41.7374 -41.7374 -18.4199 -18.4199 -17.7966 -17.7966 -17.7173 -17.7173 10.3863 10.3863 10.9747 10.9747 11.2641 11.2641 12.0077 12.0077 12.6547 12.6547 13.7303 13.7303 14.9968 14.9968 15.9566 15.9566 16.1254 16.1254 17.7009 17.7009 17.8522 17.8522 k = 0.1571 0.5000 0.1571 ( 2660 PWs) bands (ev): -41.7378 -41.7378 -18.4189 -18.4189 -17.7961 -17.7961 -17.7148 -17.7148 10.3427 10.3427 10.9917 10.9917 11.2650 11.2650 12.0251 12.0251 12.7031 12.7031 13.6781 13.6781 15.0065 15.0065 15.8916 15.8916 16.1235 16.1235 17.6793 17.6793 17.7417 17.7417 k = 0.1500 0.5000 0.1500 ( 2656 PWs) bands (ev): -41.7383 -41.7383 -18.4180 -18.4180 -17.7955 -17.7955 -17.7124 -17.7124 10.2996 10.2996 11.0097 11.0097 11.2672 11.2672 12.0442 12.0442 12.7526 12.7526 13.6250 13.6250 15.0161 15.0161 15.8265 15.8265 16.1216 16.1216 17.6266 17.6266 17.6615 17.6615 k = 0.1429 0.5000 0.1429 ( 2656 PWs) bands (ev): -41.7387 -41.7387 -18.4172 -18.4172 -17.7950 -17.7950 -17.7101 -17.7101 10.2575 10.2575 11.0276 11.0276 11.2717 11.2717 12.0649 12.0649 12.8027 12.8027 13.5712 13.5712 15.0255 15.0255 15.7620 15.7620 16.1195 16.1195 17.5197 17.5197 17.6352 17.6352 k = 0.1357 0.5000 0.1357 ( 2658 PWs) bands (ev): -41.7391 -41.7391 -18.4164 -18.4164 -17.7946 -17.7946 -17.7079 -17.7079 10.2167 10.2167 11.0440 11.0440 11.2797 11.2797 12.0868 12.0868 12.8531 12.8531 13.5170 13.5170 15.0347 15.0347 15.6985 15.6985 16.1169 16.1169 17.4123 17.4123 17.6093 17.6093 k = 0.1286 0.5000 0.1286 ( 2658 PWs) bands (ev): -41.7395 -41.7395 -18.4156 -18.4156 -17.7941 -17.7941 -17.7057 -17.7057 10.1774 10.1774 11.0580 11.0580 11.2922 11.2922 12.1096 12.1096 12.9032 12.9032 13.4632 13.4632 15.0436 15.0436 15.6363 15.6363 16.1138 16.1138 17.3063 17.3063 17.5825 17.5825 k = 0.1214 0.5000 0.1214 ( 2658 PWs) bands (ev): -41.7399 -41.7399 -18.4149 -18.4149 -17.7937 -17.7937 -17.7037 -17.7037 10.1398 10.1398 11.0686 11.0686 11.3100 11.3100 12.1330 12.1330 12.9520 12.9520 13.4108 13.4108 15.0522 15.0522 15.5757 15.5757 16.1104 16.1104 17.2020 17.2020 17.5551 17.5551 k = 0.1143 0.5000 0.1143 ( 2658 PWs) bands (ev): -41.7403 -41.7403 -18.4142 -18.4142 -17.7932 -17.7932 -17.7018 -17.7018 10.1039 10.1039 11.0758 11.0758 11.3332 11.3332 12.1564 12.1564 12.9978 12.9978 13.3613 13.3613 15.0602 15.0602 15.5171 15.5171 16.1066 16.1066 17.0998 17.0998 17.5274 17.5274 k = 0.1071 0.5000 0.1071 ( 2662 PWs) bands (ev): -41.7406 -41.7406 -18.4136 -18.4136 -17.7928 -17.7928 -17.6999 -17.6999 10.0700 10.0700 11.0797 11.0797 11.3617 11.3617 12.1797 12.1797 13.0368 13.0368 13.3187 13.3187 15.0676 15.0676 15.4609 15.4609 16.1025 16.1025 16.9999 16.9999 17.4996 17.4996 k = 0.1000 0.5000 0.1000 ( 2658 PWs) bands (ev): -41.7409 -41.7409 -18.4130 -18.4130 -17.7925 -17.7925 -17.6982 -17.6982 10.0380 10.0380 11.0809 11.0809 11.3947 11.3947 12.2022 12.2022 13.0616 13.0616 13.2904 13.2904 15.0740 15.0740 15.4077 15.4077 16.0982 16.0982 16.9026 16.9026 17.4721 17.4721 k = 0.0929 0.5000 0.0929 ( 2658 PWs) bands (ev): -41.7412 -41.7412 -18.4125 -18.4125 -17.7921 -17.7921 -17.6966 -17.6966 10.0080 10.0080 11.0803 11.0803 11.4315 11.4315 12.2235 12.2235 13.0620 13.0620 13.2867 13.2867 15.0788 15.0788 15.3583 15.3583 16.0936 16.0936 16.8082 16.8082 17.4453 17.4453 k = 0.0857 0.5000 0.0857 ( 2658 PWs) bands (ev): -41.7415 -41.7415 -18.4120 -18.4120 -17.7918 -17.7918 -17.6950 -17.6950 9.9802 9.9802 11.0784 11.0784 11.4715 11.4715 12.2430 12.2430 13.0380 13.0380 13.3076 13.3076 15.0810 15.0810 15.3140 15.3140 16.0887 16.0887 16.7172 16.7172 17.4195 17.4195 k = 0.0786 0.5000 0.0786 ( 2654 PWs) bands (ev): -41.7418 -41.7418 -18.4116 -18.4116 -17.7915 -17.7915 -17.6936 -17.6936 9.9544 9.9544 11.0756 11.0756 11.5141 11.5141 12.2600 12.2600 13.0004 13.0004 13.3426 13.3426 15.0792 15.0792 15.2766 15.2766 16.0836 16.0836 16.6299 16.6299 17.3948 17.3948 k = 0.0714 0.5000 0.0714 ( 2662 PWs) bands (ev): -41.7420 -41.7420 -18.4112 -18.4112 -17.7912 -17.7912 -17.6923 -17.6923 9.9308 9.9308 11.0724 11.0724 11.5589 11.5589 12.2737 12.2737 12.9579 12.9579 13.3833 13.3833 15.0714 15.0714 15.2482 15.2482 16.0782 16.0782 16.5470 16.5470 17.3716 17.3716 k = 0.0643 0.5000 0.0643 ( 2658 PWs) bands (ev): -41.7422 -41.7422 -18.4108 -18.4108 -17.7910 -17.7910 -17.6912 -17.6912 9.9094 9.9094 11.0689 11.0689 11.6055 11.6055 12.2832 12.2832 12.9150 12.9150 13.4254 13.4254 15.0566 15.0566 15.2302 15.2302 16.0723 16.0723 16.4692 16.4692 17.3500 17.3500 k = 0.0571 0.5000 0.0571 ( 2660 PWs) bands (ev): -41.7424 -41.7424 -18.4105 -18.4105 -17.7907 -17.7907 -17.6901 -17.6901 9.8902 9.8902 11.0655 11.0655 11.6536 11.6536 12.2874 12.2874 12.8743 12.8743 13.4667 13.4667 15.0359 15.0359 15.2216 15.2216 16.0658 16.0658 16.3972 16.3972 17.3303 17.3303 k = 0.0500 0.5000 0.0500 ( 2660 PWs) bands (ev): -41.7426 -41.7426 -18.4102 -18.4102 -17.7905 -17.7905 -17.6892 -17.6892 9.8732 9.8732 11.0622 11.0622 11.7028 11.7028 12.2853 12.2853 12.8378 12.8378 13.5059 13.5059 15.0120 15.0120 15.2199 15.2199 16.0583 16.0583 16.3322 16.3322 17.3125 17.3125 k = 0.0429 0.5000 0.0429 ( 2666 PWs) bands (ev): -41.7428 -41.7428 -18.4099 -18.4099 -17.7904 -17.7904 -17.6883 -17.6883 9.8584 9.8584 11.0592 11.0592 11.7528 11.7528 12.2761 12.2761 12.8065 12.8065 13.5419 13.5419 14.9878 14.9878 15.2225 15.2225 16.0493 16.0493 16.2755 16.2755 17.2969 17.2969 k = 0.0357 0.5000 0.0357 ( 2666 PWs) bands (ev): -41.7429 -41.7429 -18.4097 -18.4097 -17.7902 -17.7902 -17.6876 -17.6876 9.8459 9.8459 11.0565 11.0565 11.8032 11.8032 12.2593 12.2593 12.7812 12.7812 13.5740 13.5740 14.9652 14.9652 15.2273 15.2273 16.0382 16.0382 16.2284 16.2284 17.2835 17.2835 k = 0.0286 0.5000 0.0286 ( 2664 PWs) bands (ev): -41.7430 -41.7430 -18.4096 -18.4096 -17.7901 -17.7901 -17.6871 -17.6871 9.8357 9.8357 11.0543 11.0543 11.8535 11.8535 12.2354 12.2354 12.7620 12.7620 13.6013 13.6013 14.9455 14.9455 15.2329 15.2329 16.0249 16.0249 16.1921 16.1921 17.2724 17.2724 k = 0.0214 0.5000 0.0214 ( 2666 PWs) bands (ev): -41.7431 -41.7431 -18.4094 -18.4094 -17.7900 -17.7900 -17.6866 -17.6866 9.8277 9.8277 11.0525 11.0525 11.9027 11.9027 12.2055 12.2055 12.7484 12.7484 13.6233 13.6233 14.9295 14.9295 15.2385 15.2385 16.0105 16.0105 16.1666 16.1666 17.2637 17.2637 k = 0.0143 0.5000 0.0143 ( 2666 PWs) bands (ev): -41.7431 -41.7431 -18.4093 -18.4093 -17.7899 -17.7899 -17.6863 -17.6863 9.8220 9.8220 11.0512 11.0512 11.9493 11.9493 12.1720 12.1720 12.7395 12.7395 13.6394 13.6394 14.9178 14.9178 15.2432 15.2432 15.9972 15.9972 16.1504 16.1504 17.2574 17.2574 k = 0.0071 0.5000 0.0071 ( 2666 PWs) bands (ev): -41.7432 -41.7432 -18.4093 -18.4093 -17.7899 -17.7899 -17.6861 -17.6861 9.8186 9.8186 11.0504 11.0504 11.9886 11.9886 12.1402 12.1402 12.7346 12.7346 13.6493 13.6493 14.9106 14.9106 15.2462 15.2462 15.9879 15.9879 16.1418 16.1418 17.2537 17.2537 k = 0.0000 0.5000-0.0000 ( 2666 PWs) bands (ev): -41.7432 -41.7432 -18.4093 -18.4093 -17.7899 -17.7899 -17.6861 -17.6861 9.8174 9.8174 11.0501 11.0501 12.0067 12.0067 12.1246 12.1246 12.7330 12.7330 13.6526 13.6526 14.9082 14.9082 15.2473 15.2473 15.9845 15.9845 16.1390 16.1390 17.2524 17.2524 k = 0.5000 0.5000-0.0000 ( 2680 PWs) bands (ev): -41.7314 -41.7314 -18.4354 -18.4354 -17.8289 -17.8289 -17.7145 -17.7145 9.9503 9.9503 10.0021 10.0021 11.5127 11.5127 11.8897 11.8897 14.3906 14.3906 15.0309 15.0309 15.4315 15.4315 16.2277 16.2277 16.9412 16.9412 18.0242 18.0242 18.2627 18.2627 k = 0.5000 0.5000 0.0100 ( 2680 PWs) bands (ev): -41.7313 -41.7313 -18.4354 -18.4354 -17.8289 -17.8289 -17.7146 -17.7146 9.9524 9.9524 10.0031 10.0031 11.5123 11.5123 11.8892 11.8892 14.3907 14.3907 15.0309 15.0309 15.4283 15.4283 16.2225 16.2225 16.9421 16.9421 18.0242 18.0242 18.2679 18.2679 k = 0.5000 0.5000 0.0200 ( 2676 PWs) bands (ev): -41.7313 -41.7313 -18.4355 -18.4355 -17.8289 -17.8289 -17.7149 -17.7149 9.9586 9.9586 10.0058 10.0058 11.5111 11.5111 11.8876 11.8876 14.3910 14.3910 15.0307 15.0307 15.4189 15.4189 16.2071 16.2071 16.9446 16.9446 18.0245 18.0245 18.2835 18.2835 k = 0.5000 0.5000 0.0300 ( 2668 PWs) bands (ev): -41.7312 -41.7312 -18.4357 -18.4357 -17.8288 -17.8288 -17.7155 -17.7155 9.9689 9.9689 10.0104 10.0104 11.5090 11.5090 11.8850 11.8850 14.3915 14.3915 15.0304 15.0304 15.4035 15.4035 16.1821 16.1821 16.9489 16.9489 18.0249 18.0249 18.3093 18.3093 k = 0.5000 0.5000 0.0400 ( 2668 PWs) bands (ev): -41.7311 -41.7311 -18.4359 -18.4359 -17.8288 -17.8288 -17.7162 -17.7162 9.9834 9.9834 10.0169 10.0169 11.5061 11.5061 11.8813 11.8813 14.3922 14.3922 15.0298 15.0298 15.3827 15.3827 16.1484 16.1484 16.9549 16.9549 18.0254 18.0254 18.3448 18.3448 k = 0.5000 0.5000 0.0500 ( 2668 PWs) bands (ev): -41.7310 -41.7310 -18.4361 -18.4361 -17.8287 -17.8287 -17.7172 -17.7172 10.0019 10.0019 10.0251 10.0251 11.5024 11.5024 11.8767 11.8767 14.3930 14.3930 15.0287 15.0287 15.3572 15.3572 16.1071 16.1071 16.9625 16.9625 18.0261 18.0261 18.3897 18.3897 k = 0.5000 0.5000 0.0600 ( 2668 PWs) bands (ev): -41.7309 -41.7309 -18.4365 -18.4365 -17.8286 -17.8286 -17.7184 -17.7184 10.0244 10.0244 10.0350 10.0350 11.4980 11.4980 11.8710 11.8710 14.3940 14.3940 15.0266 15.0266 15.3279 15.3279 16.0592 16.0592 16.9718 16.9718 18.0268 18.0268 18.4433 18.4433 k = 0.5000 0.5000 0.0700 ( 2668 PWs) bands (ev): -41.7307 -41.7307 -18.4368 -18.4368 -17.8285 -17.8285 -17.7198 -17.7198 10.0467 10.0467 10.0509 10.0509 11.4930 11.4930 11.8644 11.8644 14.3953 14.3953 15.0229 15.0229 15.2959 15.2959 16.0060 16.0060 16.9827 16.9827 18.0276 18.0276 18.5050 18.5050 k = 0.5000 0.5000 0.0800 ( 2660 PWs) bands (ev): -41.7305 -41.7305 -18.4373 -18.4373 -17.8284 -17.8284 -17.7215 -17.7215 10.0601 10.0601 10.0813 10.0813 11.4874 11.4874 11.8569 11.8569 14.3967 14.3967 15.0168 15.0168 15.2629 15.2629 15.9485 15.9485 16.9952 16.9952 18.0286 18.0286 18.5743 18.5743 k = 0.5000 0.5000 0.0900 ( 2660 PWs) bands (ev): -41.7303 -41.7303 -18.4378 -18.4378 -17.8282 -17.8282 -17.7233 -17.7233 10.0751 10.0751 10.1155 10.1155 11.4814 11.4814 11.8485 11.8485 14.3982 14.3982 15.0068 15.0068 15.2308 15.2308 15.8875 15.8875 17.0094 17.0094 18.0296 18.0296 18.6504 18.6504 k = 0.5000 0.5000 0.1000 ( 2668 PWs) bands (ev): -41.7301 -41.7301 -18.4383 -18.4383 -17.8281 -17.8281 -17.7252 -17.7252 10.0916 10.0916 10.1533 10.1533 11.4750 11.4750 11.8393 11.8393 14.4000 14.4000 14.9909 14.9909 15.2020 15.2020 15.8240 15.8240 17.0251 17.0251 18.0307 18.0307 18.7329 18.7329 k = 0.5000 0.5000 0.1100 ( 2644 PWs) bands (ev): -41.7299 -41.7299 -18.4390 -18.4390 -17.8279 -17.8279 -17.7274 -17.7274 10.1096 10.1096 10.1947 10.1947 11.4684 11.4684 11.8293 11.8293 14.4019 14.4019 14.9676 14.9676 15.1788 15.1788 15.7586 15.7586 17.0424 17.0424 18.0319 18.0319 18.8212 18.8212 k = 0.5000 0.5000 0.1200 ( 2644 PWs) bands (ev): -41.7296 -41.7296 -18.4396 -18.4396 -17.8277 -17.8277 -17.7297 -17.7297 10.1291 10.1291 10.2394 10.2394 11.4618 11.4618 11.8186 11.8186 14.4040 14.4040 14.9362 14.9362 15.1621 15.1621 15.6919 15.6919 17.0612 17.0612 18.0332 18.0332 18.9147 18.9147 k = 0.5000 0.5000 0.1300 ( 2652 PWs) bands (ev): -41.7293 -41.7293 -18.4403 -18.4403 -17.8275 -17.8275 -17.7322 -17.7322 10.1498 10.1498 10.2873 10.2873 11.4554 11.4554 11.8072 11.8072 14.4062 14.4062 14.8976 14.8976 15.1514 15.1514 15.6245 15.6245 17.0815 17.0815 18.0346 18.0346 19.0130 19.0130 k = 0.5000 0.5000 0.1400 ( 2652 PWs) bands (ev): -41.7290 -41.7290 -18.4411 -18.4411 -17.8273 -17.8273 -17.7348 -17.7348 10.1718 10.1718 10.3380 10.3380 11.4495 11.4495 11.7953 11.7953 14.4085 14.4085 14.8535 14.8535 15.1454 15.1454 15.5568 15.5568 17.1033 17.1033 18.0360 18.0360 19.1157 19.1157 k = 0.5000 0.5000 0.1500 ( 2652 PWs) bands (ev): -41.7287 -41.7287 -18.4419 -18.4419 -17.8271 -17.8271 -17.7376 -17.7376 10.1950 10.1950 10.3913 10.3913 11.4444 11.4444 11.7828 11.7828 14.4110 14.4110 14.8058 14.8058 15.1425 15.1425 15.4891 15.4891 17.1265 17.1265 18.0376 18.0376 19.2224 19.2224 k = 0.5000 0.5000 0.1600 ( 2636 PWs) bands (ev): -41.7283 -41.7283 -18.4428 -18.4428 -17.8269 -17.8269 -17.7404 -17.7404 10.2192 10.2192 10.4466 10.4466 11.4405 11.4405 11.7699 11.7699 14.4137 14.4137 14.7558 14.7558 15.1418 15.1418 15.4217 15.4217 17.1512 17.1512 18.0392 18.0392 19.3328 19.3328 k = 0.5000 0.5000 0.1700 ( 2636 PWs) bands (ev): -41.7280 -41.7280 -18.4437 -18.4437 -17.8267 -17.8267 -17.7434 -17.7434 10.2443 10.2443 10.5034 10.5034 11.4384 11.4384 11.7566 11.7566 14.4164 14.4164 14.7043 14.7043 15.1424 15.1424 15.3550 15.3550 17.1771 17.1771 18.0408 18.0408 19.4464 19.4464 k = 0.5000 0.5000 0.1800 ( 2648 PWs) bands (ev): -41.7276 -41.7276 -18.4446 -18.4446 -17.8264 -17.8264 -17.7465 -17.7465 10.2703 10.2703 10.5611 10.5611 11.4388 11.4388 11.7430 11.7430 14.4192 14.4192 14.6521 14.6521 15.1438 15.1438 15.2892 15.2892 17.2044 17.2044 18.0425 18.0425 19.5632 19.5632 k = 0.5000 0.5000 0.1900 ( 2656 PWs) bands (ev): -41.7272 -41.7272 -18.4456 -18.4456 -17.8262 -17.8262 -17.7496 -17.7496 10.2970 10.2970 10.6186 10.6186 11.4426 11.4426 11.7292 11.7292 14.4221 14.4221 14.5997 14.5997 15.1458 15.1458 15.2243 15.2243 17.2330 17.2330 18.0443 18.0443 19.6827 19.6827 k = 0.5000 0.5000 0.2000 ( 2648 PWs) bands (ev): -41.7269 -41.7269 -18.4466 -18.4466 -17.8259 -17.8259 -17.7528 -17.7528 10.3242 10.3242 10.6748 10.6748 11.4508 11.4508 11.7153 11.7153 14.4251 14.4251 14.5474 14.5474 15.1479 15.1479 15.1607 15.1607 17.2627 17.2627 18.0461 18.0461 19.8047 19.8047 k = 0.5000 0.5000 0.2100 ( 2648 PWs) bands (ev): -41.7265 -41.7265 -18.4476 -18.4476 -17.8257 -17.8257 -17.7561 -17.7561 10.3519 10.3519 10.7283 10.7283 11.4650 11.4650 11.7013 11.7013 14.4282 14.4282 14.4957 14.4957 15.0985 15.0985 15.1500 15.1500 17.2936 17.2936 18.0479 18.0479 19.9290 19.9290 k = 0.5000 0.5000 0.2200 ( 2648 PWs) bands (ev): -41.7261 -41.7261 -18.4487 -18.4487 -17.8254 -17.8254 -17.7594 -17.7594 10.3800 10.3800 10.7776 10.7776 11.4865 11.4865 11.6874 11.6874 14.4313 14.4313 14.4446 14.4446 15.0377 15.0377 15.1519 15.1519 17.3255 17.3255 18.0498 18.0498 20.0553 20.0553 k = 0.5000 0.5000 0.2300 ( 2648 PWs) bands (ev): -41.7257 -41.7257 -18.4498 -18.4498 -17.8252 -17.8252 -17.7627 -17.7627 10.4082 10.4082 10.8212 10.8212 11.5168 11.5168 11.6736 11.6736 14.3945 14.3945 14.4344 14.4344 14.9785 14.9785 15.1533 15.1533 17.3583 17.3583 18.0517 18.0517 20.1834 20.1834 k = 0.5000 0.5000 0.2400 ( 2652 PWs) bands (ev): -41.7253 -41.7253 -18.4509 -18.4509 -17.8249 -17.8249 -17.7661 -17.7661 10.4364 10.4364 10.8578 10.8578 11.5571 11.5571 11.6600 11.6600 14.3455 14.3455 14.4375 14.4375 14.9211 14.9211 15.1542 15.1542 17.3920 17.3920 18.0536 18.0536 20.3128 20.3128 k = 0.5000 0.5000 0.2500 ( 2652 PWs) bands (ev): -41.7249 -41.7249 -18.4521 -18.4521 -17.8246 -17.8246 -17.7694 -17.7694 10.4646 10.4646 10.8867 10.8867 11.6079 11.6079 11.6467 11.6467 14.2978 14.2978 14.4405 14.4405 14.8654 14.8654 15.1543 15.1543 17.4265 17.4265 18.0555 18.0555 20.4428 20.4428 k = 0.5000 0.5000 0.2600 ( 2652 PWs) bands (ev): -41.7244 -41.7244 -18.4532 -18.4532 -17.8244 -17.8244 -17.7727 -17.7727 10.4925 10.4925 10.9082 10.9082 11.6338 11.6338 11.6689 11.6689 14.2515 14.2515 14.4434 14.4434 14.8118 14.8118 15.1536 15.1536 17.4617 17.4617 18.0574 18.0574 20.5719 20.5719 k = 0.5000 0.5000 0.2700 ( 2652 PWs) bands (ev): -41.7240 -41.7240 -18.4544 -18.4544 -17.8241 -17.8241 -17.7760 -17.7760 10.5201 10.5201 10.9230 10.9230 11.6214 11.6214 11.7394 11.7394 14.2067 14.2067 14.4461 14.4461 14.7602 14.7602 15.1517 15.1517 17.4974 17.4974 18.0593 18.0593 20.6941 20.6941 k = 0.5000 0.5000 0.2800 ( 2652 PWs) bands (ev): -41.7236 -41.7236 -18.4555 -18.4555 -17.8238 -17.8238 -17.7793 -17.7793 10.5471 10.5471 10.9321 10.9321 11.6095 11.6095 11.8181 11.8181 14.1635 14.1635 14.4485 14.4485 14.7108 14.7108 15.1486 15.1486 17.5335 17.5335 18.0612 18.0612 20.7758 20.7758 k = 0.5000 0.5000 0.2900 ( 2644 PWs) bands (ev): -41.7232 -41.7232 -18.4567 -18.4567 -17.8236 -17.8236 -17.7825 -17.7825 10.5734 10.5734 10.9365 10.9365 11.5982 11.5982 11.9037 11.9037 14.1222 14.1222 14.4503 14.4503 14.6639 14.6639 15.1440 15.1440 17.5699 17.5699 18.0631 18.0631 20.7625 20.7625 k = 0.5000 0.5000 0.3000 ( 2636 PWs) bands (ev): -41.7228 -41.7228 -18.4578 -18.4578 -17.8233 -17.8233 -17.7856 -17.7856 10.5989 10.5989 10.9375 10.9375 11.5877 11.5877 11.9951 11.9951 14.0827 14.0827 14.4512 14.4512 14.6200 14.6200 15.1378 15.1378 17.6064 17.6064 18.0650 18.0650 20.7112 20.7112 k = 0.5000 0.5000 0.3100 ( 2644 PWs) bands (ev): -41.7225 -41.7225 -18.4590 -18.4590 -17.8230 -17.8230 -17.7886 -17.7886 10.6235 10.6235 10.9357 10.9357 11.5779 11.5779 12.0911 12.0911 14.0452 14.0452 14.4503 14.4503 14.5799 14.5799 15.1297 15.1297 17.6430 17.6430 18.0668 18.0668 20.6511 20.6511 k = 0.5000 0.5000 0.3200 ( 2644 PWs) bands (ev): -41.7221 -41.7221 -18.4601 -18.4601 -17.8228 -17.8228 -17.7916 -17.7916 10.6470 10.6470 10.9320 10.9320 11.5689 11.5689 12.1908 12.1908 14.0098 14.0098 14.4458 14.4458 14.5454 14.5454 15.1196 15.1196 17.6793 17.6793 18.0685 18.0685 20.5875 20.5875 k = 0.5000 0.5000 0.3300 ( 2640 PWs) bands (ev): -41.7217 -41.7217 -18.4612 -18.4612 -17.8226 -17.8226 -17.7945 -17.7945 10.6694 10.6694 10.9268 10.9268 11.5608 11.5608 12.2934 12.2934 13.9767 13.9767 14.4345 14.4345 14.5198 14.5198 15.1073 15.1073 17.7152 17.7152 18.0702 18.0702 20.5221 20.5221 k = 0.5000 0.5000 0.3400 ( 2640 PWs) bands (ev): -41.7214 -41.7214 -18.4623 -18.4623 -17.8223 -17.8223 -17.7972 -17.7972 10.6904 10.6904 10.9206 10.9206 11.5536 11.5536 12.3980 12.3980 13.9461 13.9461 14.4141 14.4141 14.5053 14.5053 15.0924 15.0924 17.7507 17.7507 18.0719 18.0719 20.4555 20.4555 k = 0.5000 0.5000 0.3500 ( 2640 PWs) bands (ev): -41.7210 -41.7210 -18.4633 -18.4633 -17.8221 -17.8221 -17.7999 -17.7999 10.7102 10.7102 10.9138 10.9138 11.5473 11.5473 12.5039 12.5039 13.9181 13.9181 14.3875 14.3875 14.4991 14.4991 15.0749 15.0749 17.7853 17.7853 18.0735 18.0735 20.3883 20.3883 k = 0.5000 0.5000 0.3600 ( 2624 PWs) bands (ev): -41.7207 -41.7207 -18.4643 -18.4643 -17.8219 -17.8219 -17.8024 -17.8024 10.7285 10.7285 10.9066 10.9066 11.5418 11.5418 12.6102 12.6102 13.8931 13.8931 14.3588 14.3588 14.4972 14.4972 15.0544 15.0544 17.8191 17.8191 18.0750 18.0750 20.3213 20.3213 k = 0.5000 0.5000 0.3700 ( 2628 PWs) bands (ev): -41.7204 -41.7204 -18.4653 -18.4653 -17.8217 -17.8217 -17.8047 -17.8047 10.7454 10.7454 10.8992 10.8992 11.5373 11.5373 12.7161 12.7161 13.8714 13.8714 14.3302 14.3302 14.4971 14.4971 15.0308 15.0308 17.8517 17.8517 18.0765 18.0765 20.2548 20.2548 k = 0.5000 0.5000 0.3800 ( 2628 PWs) bands (ev): -41.7201 -41.7201 -18.4662 -18.4662 -17.8215 -17.8215 -17.8070 -17.8070 10.7608 10.7608 10.8919 10.8919 11.5336 11.5336 12.8207 12.8207 13.8535 13.8535 14.3029 14.3029 14.4980 14.4980 15.0038 15.0038 17.8830 17.8830 18.0778 18.0778 20.1896 20.1896 k = 0.5000 0.5000 0.3900 ( 2620 PWs) bands (ev): -41.7198 -41.7198 -18.4670 -18.4670 -17.8213 -17.8213 -17.8090 -17.8090 10.7747 10.7747 10.8847 10.8847 11.5307 11.5307 12.9227 12.9227 13.8401 13.8401 14.2772 14.2772 14.4994 14.4994 14.9733 14.9733 17.9127 17.9127 18.0791 18.0791 20.1261 20.1261 k = 0.5000 0.5000 0.4000 ( 2620 PWs) bands (ev): -41.7196 -41.7196 -18.4678 -18.4678 -17.8212 -17.8212 -17.8109 -17.8109 10.7871 10.7871 10.8779 10.8779 11.5285 11.5285 13.0205 13.0205 13.8322 13.8322 14.2534 14.2534 14.5009 14.5009 14.9392 14.9392 17.9407 17.9407 18.0803 18.0803 20.0651 20.0651 k = 0.5000 0.5000 0.4100 ( 2612 PWs) bands (ev): -41.7194 -41.7194 -18.4686 -18.4686 -17.8210 -17.8210 -17.8127 -17.8127 10.7981 10.7981 10.8714 10.8714 11.5269 11.5269 13.1123 13.1123 13.8311 13.8311 14.2317 14.2317 14.5025 14.5025 14.9013 14.9013 17.9668 17.9668 18.0814 18.0814 20.0072 20.0072 k = 0.5000 0.5000 0.4200 ( 2628 PWs) bands (ev): -41.7192 -41.7192 -18.4692 -18.4692 -17.8209 -17.8209 -17.8143 -17.8143 10.8077 10.8077 10.8654 10.8654 11.5259 11.5259 13.1958 13.1958 13.8385 13.8385 14.2121 14.2121 14.5040 14.5040 14.8596 14.8596 17.9907 17.9907 18.0824 18.0824 19.9532 19.9532 k = 0.5000 0.5000 0.4300 ( 2620 PWs) bands (ev): -41.7190 -41.7190 -18.4698 -18.4698 -17.8208 -17.8208 -17.8157 -17.8157 10.8160 10.8160 10.8600 10.8600 11.5253 11.5253 13.2683 13.2683 13.8564 13.8564 14.1948 14.1948 14.5055 14.5055 14.8143 14.8143 18.0123 18.0123 18.0832 18.0832 19.9036 19.9036 k = 0.5000 0.5000 0.4400 ( 2604 PWs) bands (ev): -41.7188 -41.7188 -18.4704 -18.4704 -17.8207 -17.8207 -17.8169 -17.8169 10.8230 10.8230 10.8552 10.8552 11.5251 11.5251 13.3277 13.3277 13.8860 13.8860 14.1797 14.1797 14.5068 14.5068 14.7657 14.7657 18.0314 18.0314 18.0840 18.0840 19.8591 19.8591 k = 0.5000 0.5000 0.4500 ( 2608 PWs) bands (ev): -41.7187 -41.7187 -18.4708 -18.4708 -17.8206 -17.8206 -17.8180 -17.8180 10.8288 10.8288 10.8511 10.8511 11.5250 11.5250 13.3730 13.3730 13.9272 13.9272 14.1669 14.1669 14.5079 14.5079 14.7144 14.7144 18.0478 18.0478 18.0847 18.0847 19.8203 19.8203 k = 0.5000 0.5000 0.4600 ( 2608 PWs) bands (ev): -41.7186 -41.7186 -18.4712 -18.4712 -17.8205 -17.8205 -17.8188 -17.8188 10.8334 10.8334 10.8477 10.8477 11.5252 11.5252 13.4053 13.4053 13.9773 13.9773 14.1564 14.1564 14.5089 14.5089 14.6615 14.6615 18.0614 18.0614 18.0852 18.0852 19.7878 19.7878 k = 0.5000 0.5000 0.4700 ( 2608 PWs) bands (ev): -41.7185 -41.7185 -18.4715 -18.4715 -17.8204 -17.8204 -17.8195 -17.8195 10.8370 10.8370 10.8449 10.8449 11.5254 11.5254 13.4268 13.4268 14.0316 14.0316 14.1482 14.1482 14.5097 14.5097 14.6090 14.6090 18.0722 18.0722 18.0856 18.0856 19.7619 19.7619 k = 0.5000 0.5000 0.4800 ( 2608 PWs) bands (ev): -41.7184 -41.7184 -18.4717 -18.4717 -17.8204 -17.8204 -17.8200 -17.8200 10.8395 10.8395 10.8430 10.8430 11.5255 11.5255 13.4401 13.4401 14.0831 14.0831 14.1424 14.1424 14.5102 14.5102 14.5610 14.5610 18.0799 18.0799 18.0859 18.0859 19.7432 19.7432 k = 0.5000 0.5000 0.4900 ( 2608 PWs) bands (ev): -41.7184 -41.7184 -18.4718 -18.4718 -17.8204 -17.8204 -17.8203 -17.8203 10.8409 10.8409 10.8418 10.8418 11.5257 11.5257 13.4473 13.4473 14.1225 14.1225 14.1389 14.1389 14.5105 14.5105 14.5247 14.5247 18.0846 18.0846 18.0861 18.0861 19.7318 19.7318 k = 0.5000 0.5000 0.5000 ( 2608 PWs) bands (ev): -41.7183 -41.7183 -18.4719 -18.4719 -17.8204 -17.8204 -17.8204 -17.8204 10.8414 10.8414 10.8414 10.8414 11.5257 11.5257 13.4495 13.4495 14.1377 14.1377 14.1377 14.1377 14.5107 14.5107 14.5107 14.5107 18.0862 18.0862 18.0862 18.0862 19.7280 19.7280 Writing output data file TiPt.save init_run : 0.09s CPU 0.29s WALL ( 1 calls) electrons : 77.55s CPU 79.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 77.54s CPU 79.62s 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 : 0.05s CPU 0.04s WALL ( 382 calls) cegterg : 72.15s CPU 73.68s WALL ( 540 calls) Called by sum_band: Called by *egterg: h_psi : 37.45s CPU 38.43s WALL ( 9103 calls) s_psi : 1.12s CPU 1.23s WALL ( 9103 calls) g_psi : 0.15s CPU 0.16s WALL ( 8181 calls) cdiaghg : 28.94s CPU 29.58s WALL ( 8563 calls) cegterg:over : 3.08s CPU 2.92s WALL ( 8181 calls) cegterg:upda : 1.96s CPU 2.00s WALL ( 8181 calls) cegterg:last : 1.19s CPU 1.33s WALL ( 1985 calls) cdiaghg:chol : 1.50s CPU 1.51s WALL ( 8563 calls) cdiaghg:inve : 0.54s CPU 0.69s WALL ( 8563 calls) cdiaghg:para : 1.70s CPU 1.77s WALL ( 17126 calls) Called by h_psi: h_psi:vloc : 33.12s CPU 34.21s WALL ( 9103 calls) h_psi:vnl : 4.25s CPU 4.15s WALL ( 9103 calls) add_vuspsi : 2.43s CPU 2.38s WALL ( 9103 calls) General routines calbec : 1.78s CPU 1.75s WALL ( 9103 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 30.80s CPU 32.04s WALL ( 718492 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.28s WALL ( 764 calls) Parallel routines fft_scatter : 15.60s CPU 16.38s WALL ( 718515 calls) PWSCF : 1m26.80s CPU 1m39.50s WALL This run was terminated on: 21: 9:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=