Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 6:42 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: ./TiPd.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 43 25 7 1295 571 93 Max 44 26 8 1300 588 96 Sum 1565 925 277 46681 20863 3431 bravais-lattice index = 14 lattice parameter (alat) = 6.0093 a.u. unit-cell volume = 217.0091 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.009329 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 Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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) Pd 18.00 106.42000 Pd( 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) = ( 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( 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: 46681 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 20863 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 170, 38) NL pseudopotentials 0.09 Mb ( 85, 68) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1300) G-vector shells 0.00 Mb ( 306) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 170, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.08 Mb ( 68, 2, 38) The potential is recalculated from file : ./TiPd.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs + 18 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.3 secs Computing kpt #: 10 total cpu time spent up to now is 4.5 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 4.8 secs Computing kpt #: 13 total cpu time spent up to now is 5.0 secs Computing kpt #: 14 total cpu time spent up to now is 5.2 secs Computing kpt #: 15 total cpu time spent up to now is 5.4 secs Computing kpt #: 16 total cpu time spent up to now is 5.6 secs Computing kpt #: 17 total cpu time spent up to now is 5.7 secs Computing kpt #: 18 total cpu time spent up to now is 5.9 secs Computing kpt #: 19 total cpu time spent up to now is 6.1 secs Computing kpt #: 20 total cpu time spent up to now is 6.3 secs Computing kpt #: 21 total cpu time spent up to now is 6.4 secs Computing kpt #: 22 total cpu time spent up to now is 6.6 secs Computing kpt #: 23 total cpu time spent up to now is 6.8 secs Computing kpt #: 24 total cpu time spent up to now is 7.0 secs Computing kpt #: 25 total cpu time spent up to now is 7.1 secs Computing kpt #: 26 total cpu time spent up to now is 7.3 secs Computing kpt #: 27 total cpu time spent up to now is 7.5 secs Computing kpt #: 28 total cpu time spent up to now is 7.7 secs Computing kpt #: 29 total cpu time spent up to now is 7.9 secs Computing kpt #: 30 total cpu time spent up to now is 8.1 secs Computing kpt #: 31 total cpu time spent up to now is 8.3 secs Computing kpt #: 32 total cpu time spent up to now is 8.5 secs Computing kpt #: 33 total cpu time spent up to now is 8.7 secs Computing kpt #: 34 total cpu time spent up to now is 8.9 secs Computing kpt #: 35 total cpu time spent up to now is 9.1 secs Computing kpt #: 36 total cpu time spent up to now is 9.3 secs Computing kpt #: 37 total cpu time spent up to now is 9.5 secs Computing kpt #: 38 total cpu time spent up to now is 9.7 secs Computing kpt #: 39 total cpu time spent up to now is 9.9 secs Computing kpt #: 40 total cpu time spent up to now is 10.1 secs Computing kpt #: 41 total cpu time spent up to now is 10.3 secs Computing kpt #: 42 total cpu time spent up to now is 10.5 secs Computing kpt #: 43 total cpu time spent up to now is 10.7 secs Computing kpt #: 44 total cpu time spent up to now is 10.9 secs Computing kpt #: 45 total cpu time spent up to now is 11.1 secs Computing kpt #: 46 total cpu time spent up to now is 11.3 secs Computing kpt #: 47 total cpu time spent up to now is 11.4 secs Computing kpt #: 48 total cpu time spent up to now is 11.6 secs Computing kpt #: 49 total cpu time spent up to now is 11.8 secs Computing kpt #: 50 total cpu time spent up to now is 12.0 secs Computing kpt #: 51 total cpu time spent up to now is 12.2 secs Computing kpt #: 52 total cpu time spent up to now is 12.4 secs Computing kpt #: 53 total cpu time spent up to now is 12.6 secs Computing kpt #: 54 total cpu time spent up to now is 12.8 secs Computing kpt #: 55 total cpu time spent up to now is 13.0 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 13.6 secs Computing kpt #: 59 total cpu time spent up to now is 13.8 secs Computing kpt #: 60 total cpu time spent up to now is 14.0 secs Computing kpt #: 61 total cpu time spent up to now is 14.2 secs Computing kpt #: 62 total cpu time spent up to now is 14.4 secs Computing kpt #: 63 total cpu time spent up to now is 14.6 secs Computing kpt #: 64 total cpu time spent up to now is 14.8 secs Computing kpt #: 65 total cpu time spent up to now is 15.0 secs Computing kpt #: 66 total cpu time spent up to now is 15.2 secs Computing kpt #: 67 total cpu time spent up to now is 15.4 secs Computing kpt #: 68 total cpu time spent up to now is 15.6 secs Computing kpt #: 69 total cpu time spent up to now is 15.8 secs Computing kpt #: 70 total cpu time spent up to now is 16.0 secs Computing kpt #: 71 total cpu time spent up to now is 16.2 secs Computing kpt #: 72 total cpu time spent up to now is 16.4 secs Computing kpt #: 73 total cpu time spent up to now is 16.6 secs Computing kpt #: 74 total cpu time spent up to now is 16.8 secs Computing kpt #: 75 total cpu time spent up to now is 17.0 secs Computing kpt #: 76 total cpu time spent up to now is 17.2 secs Computing kpt #: 77 total cpu time spent up to now is 17.4 secs Computing kpt #: 78 total cpu time spent up to now is 17.6 secs Computing kpt #: 79 total cpu time spent up to now is 17.8 secs Computing kpt #: 80 total cpu time spent up to now is 18.0 secs Computing kpt #: 81 total cpu time spent up to now is 18.2 secs Computing kpt #: 82 total cpu time spent up to now is 18.4 secs Computing kpt #: 83 total cpu time spent up to now is 18.6 secs Computing kpt #: 84 total cpu time spent up to now is 18.8 secs Computing kpt #: 85 total cpu time spent up to now is 19.0 secs Computing kpt #: 86 total cpu time spent up to now is 19.2 secs Computing kpt #: 87 total cpu time spent up to now is 19.5 secs Computing kpt #: 88 total cpu time spent up to now is 19.7 secs Computing kpt #: 89 total cpu time spent up to now is 19.9 secs Computing kpt #: 90 total cpu time spent up to now is 20.1 secs Computing kpt #: 91 total cpu time spent up to now is 20.3 secs Computing kpt #: 92 total cpu time spent up to now is 20.5 secs Computing kpt #: 93 total cpu time spent up to now is 20.7 secs Computing kpt #: 94 total cpu time spent up to now is 20.9 secs Computing kpt #: 95 total cpu time spent up to now is 21.1 secs Computing kpt #: 96 total cpu time spent up to now is 21.4 secs Computing kpt #: 97 total cpu time spent up to now is 21.6 secs Computing kpt #: 98 total cpu time spent up to now is 21.8 secs Computing kpt #: 99 total cpu time spent up to now is 22.0 secs Computing kpt #: 100 total cpu time spent up to now is 22.2 secs Computing kpt #: 101 total cpu time spent up to now is 22.5 secs Computing kpt #: 102 total cpu time spent up to now is 22.7 secs Computing kpt #: 103 total cpu time spent up to now is 22.9 secs Computing kpt #: 104 total cpu time spent up to now is 23.2 secs Computing kpt #: 105 total cpu time spent up to now is 23.4 secs Computing kpt #: 106 total cpu time spent up to now is 23.6 secs Computing kpt #: 107 total cpu time spent up to now is 23.9 secs Computing kpt #: 108 total cpu time spent up to now is 24.1 secs Computing kpt #: 109 total cpu time spent up to now is 24.3 secs Computing kpt #: 110 total cpu time spent up to now is 24.5 secs Computing kpt #: 111 total cpu time spent up to now is 24.7 secs Computing kpt #: 112 total cpu time spent up to now is 24.9 secs Computing kpt #: 113 total cpu time spent up to now is 25.1 secs Computing kpt #: 114 total cpu time spent up to now is 25.3 secs Computing kpt #: 115 total cpu time spent up to now is 25.5 secs Computing kpt #: 116 total cpu time spent up to now is 25.7 secs Computing kpt #: 117 total cpu time spent up to now is 25.9 secs Computing kpt #: 118 total cpu time spent up to now is 26.1 secs Computing kpt #: 119 total cpu time spent up to now is 26.3 secs Computing kpt #: 120 total cpu time spent up to now is 26.5 secs Computing kpt #: 121 total cpu time spent up to now is 26.7 secs Computing kpt #: 122 total cpu time spent up to now is 26.9 secs Computing kpt #: 123 total cpu time spent up to now is 27.1 secs Computing kpt #: 124 total cpu time spent up to now is 27.3 secs Computing kpt #: 125 total cpu time spent up to now is 27.5 secs Computing kpt #: 126 total cpu time spent up to now is 27.7 secs Computing kpt #: 127 total cpu time spent up to now is 27.9 secs Computing kpt #: 128 total cpu time spent up to now is 28.1 secs Computing kpt #: 129 total cpu time spent up to now is 28.3 secs Computing kpt #: 130 total cpu time spent up to now is 28.5 secs Computing kpt #: 131 total cpu time spent up to now is 28.7 secs Computing kpt #: 132 total cpu time spent up to now is 28.9 secs Computing kpt #: 133 total cpu time spent up to now is 29.1 secs Computing kpt #: 134 total cpu time spent up to now is 29.3 secs Computing kpt #: 135 total cpu time spent up to now is 29.5 secs Computing kpt #: 136 total cpu time spent up to now is 29.7 secs Computing kpt #: 137 total cpu time spent up to now is 29.9 secs Computing kpt #: 138 total cpu time spent up to now is 30.1 secs Computing kpt #: 139 total cpu time spent up to now is 30.3 secs Computing kpt #: 140 total cpu time spent up to now is 30.5 secs Computing kpt #: 141 total cpu time spent up to now is 30.7 secs Computing kpt #: 142 total cpu time spent up to now is 30.8 secs Computing kpt #: 143 total cpu time spent up to now is 31.0 secs Computing kpt #: 144 total cpu time spent up to now is 31.2 secs Computing kpt #: 145 total cpu time spent up to now is 31.4 secs Computing kpt #: 146 total cpu time spent up to now is 31.6 secs Computing kpt #: 147 total cpu time spent up to now is 31.7 secs Computing kpt #: 148 total cpu time spent up to now is 31.9 secs Computing kpt #: 149 total cpu time spent up to now is 32.1 secs Computing kpt #: 150 total cpu time spent up to now is 32.3 secs Computing kpt #: 151 total cpu time spent up to now is 32.5 secs Computing kpt #: 152 total cpu time spent up to now is 32.6 secs Computing kpt #: 153 total cpu time spent up to now is 32.8 secs Computing kpt #: 154 total cpu time spent up to now is 33.0 secs Computing kpt #: 155 total cpu time spent up to now is 33.2 secs Computing kpt #: 156 total cpu time spent up to now is 33.3 secs Computing kpt #: 157 total cpu time spent up to now is 33.5 secs Computing kpt #: 158 total cpu time spent up to now is 33.7 secs Computing kpt #: 159 total cpu time spent up to now is 33.8 secs Computing kpt #: 160 total cpu time spent up to now is 34.0 secs Computing kpt #: 161 total cpu time spent up to now is 34.2 secs Computing kpt #: 162 total cpu time spent up to now is 34.4 secs Computing kpt #: 163 total cpu time spent up to now is 34.5 secs Computing kpt #: 164 total cpu time spent up to now is 34.7 secs Computing kpt #: 165 total cpu time spent up to now is 34.9 secs Computing kpt #: 166 total cpu time spent up to now is 35.1 secs Computing kpt #: 167 total cpu time spent up to now is 35.2 secs Computing kpt #: 168 total cpu time spent up to now is 35.4 secs Computing kpt #: 169 total cpu time spent up to now is 35.6 secs Computing kpt #: 170 total cpu time spent up to now is 35.8 secs Computing kpt #: 171 total cpu time spent up to now is 35.9 secs Computing kpt #: 172 total cpu time spent up to now is 36.1 secs Computing kpt #: 173 total cpu time spent up to now is 36.3 secs Computing kpt #: 174 total cpu time spent up to now is 36.4 secs Computing kpt #: 175 total cpu time spent up to now is 36.6 secs Computing kpt #: 176 total cpu time spent up to now is 36.8 secs Computing kpt #: 177 total cpu time spent up to now is 36.9 secs Computing kpt #: 178 total cpu time spent up to now is 37.1 secs Computing kpt #: 179 total cpu time spent up to now is 37.3 secs Computing kpt #: 180 total cpu time spent up to now is 37.5 secs Computing kpt #: 181 total cpu time spent up to now is 37.6 secs Computing kpt #: 182 total cpu time spent up to now is 37.8 secs Computing kpt #: 183 total cpu time spent up to now is 38.0 secs Computing kpt #: 184 total cpu time spent up to now is 38.2 secs Computing kpt #: 185 total cpu time spent up to now is 38.4 secs Computing kpt #: 186 total cpu time spent up to now is 38.6 secs Computing kpt #: 187 total cpu time spent up to now is 38.7 secs Computing kpt #: 188 total cpu time spent up to now is 38.9 secs Computing kpt #: 189 total cpu time spent up to now is 39.1 secs Computing kpt #: 190 total cpu time spent up to now is 39.3 secs Computing kpt #: 191 total cpu time spent up to now is 39.4 secs Computing kpt #: 192 total cpu time spent up to now is 39.6 secs Computing kpt #: 193 total cpu time spent up to now is 39.8 secs Computing kpt #: 194 total cpu time spent up to now is 40.0 secs Computing kpt #: 195 total cpu time spent up to now is 40.1 secs Computing kpt #: 196 total cpu time spent up to now is 40.3 secs Computing kpt #: 197 total cpu time spent up to now is 40.5 secs Computing kpt #: 198 total cpu time spent up to now is 40.7 secs Computing kpt #: 199 total cpu time spent up to now is 40.8 secs Computing kpt #: 200 total cpu time spent up to now is 41.0 secs Computing kpt #: 201 total cpu time spent up to now is 41.2 secs Computing kpt #: 202 total cpu time spent up to now is 41.4 secs Computing kpt #: 203 total cpu time spent up to now is 41.5 secs Computing kpt #: 204 total cpu time spent up to now is 41.7 secs Computing kpt #: 205 total cpu time spent up to now is 41.9 secs Computing kpt #: 206 total cpu time spent up to now is 42.1 secs Computing kpt #: 207 total cpu time spent up to now is 42.3 secs Computing kpt #: 208 total cpu time spent up to now is 42.4 secs Computing kpt #: 209 total cpu time spent up to now is 42.6 secs Computing kpt #: 210 total cpu time spent up to now is 42.8 secs Computing kpt #: 211 total cpu time spent up to now is 43.0 secs Computing kpt #: 212 total cpu time spent up to now is 43.1 secs Computing kpt #: 213 total cpu time spent up to now is 43.3 secs Computing kpt #: 214 total cpu time spent up to now is 43.5 secs Computing kpt #: 215 total cpu time spent up to now is 43.7 secs Computing kpt #: 216 total cpu time spent up to now is 43.9 secs Computing kpt #: 217 total cpu time spent up to now is 44.0 secs Computing kpt #: 218 total cpu time spent up to now is 44.2 secs Computing kpt #: 219 total cpu time spent up to now is 44.4 secs Computing kpt #: 220 total cpu time spent up to now is 44.6 secs Computing kpt #: 221 total cpu time spent up to now is 44.8 secs Computing kpt #: 222 total cpu time spent up to now is 45.0 secs Computing kpt #: 223 total cpu time spent up to now is 45.2 secs Computing kpt #: 224 total cpu time spent up to now is 45.4 secs Computing kpt #: 225 total cpu time spent up to now is 45.5 secs Computing kpt #: 226 total cpu time spent up to now is 45.7 secs Computing kpt #: 227 total cpu time spent up to now is 45.9 secs Computing kpt #: 228 total cpu time spent up to now is 46.1 secs Computing kpt #: 229 total cpu time spent up to now is 46.3 secs Computing kpt #: 230 total cpu time spent up to now is 46.5 secs Computing kpt #: 231 total cpu time spent up to now is 46.7 secs Computing kpt #: 232 total cpu time spent up to now is 46.9 secs Computing kpt #: 233 total cpu time spent up to now is 47.1 secs Computing kpt #: 234 total cpu time spent up to now is 47.3 secs Computing kpt #: 235 total cpu time spent up to now is 47.5 secs Computing kpt #: 236 total cpu time spent up to now is 47.7 secs Computing kpt #: 237 total cpu time spent up to now is 47.9 secs Computing kpt #: 238 total cpu time spent up to now is 48.1 secs Computing kpt #: 239 total cpu time spent up to now is 48.3 secs Computing kpt #: 240 total cpu time spent up to now is 48.5 secs Computing kpt #: 241 total cpu time spent up to now is 48.7 secs Computing kpt #: 242 total cpu time spent up to now is 48.9 secs Computing kpt #: 243 total cpu time spent up to now is 49.1 secs Computing kpt #: 244 total cpu time spent up to now is 49.3 secs Computing kpt #: 245 total cpu time spent up to now is 49.5 secs Computing kpt #: 246 total cpu time spent up to now is 49.7 secs Computing kpt #: 247 total cpu time spent up to now is 49.9 secs Computing kpt #: 248 total cpu time spent up to now is 50.1 secs Computing kpt #: 249 total cpu time spent up to now is 50.3 secs Computing kpt #: 250 total cpu time spent up to now is 50.5 secs Computing kpt #: 251 total cpu time spent up to now is 50.7 secs Computing kpt #: 252 total cpu time spent up to now is 50.9 secs Computing kpt #: 253 total cpu time spent up to now is 51.1 secs Computing kpt #: 254 total cpu time spent up to now is 51.3 secs Computing kpt #: 255 total cpu time spent up to now is 51.5 secs Computing kpt #: 256 total cpu time spent up to now is 51.8 secs Computing kpt #: 257 total cpu time spent up to now is 52.0 secs Computing kpt #: 258 total cpu time spent up to now is 52.2 secs Computing kpt #: 259 total cpu time spent up to now is 52.4 secs Computing kpt #: 260 total cpu time spent up to now is 52.5 secs Computing kpt #: 261 total cpu time spent up to now is 52.7 secs Computing kpt #: 262 total cpu time spent up to now is 52.9 secs Computing kpt #: 263 total cpu time spent up to now is 53.1 secs Computing kpt #: 264 total cpu time spent up to now is 53.3 secs Computing kpt #: 265 total cpu time spent up to now is 53.5 secs Computing kpt #: 266 total cpu time spent up to now is 53.7 secs Computing kpt #: 267 total cpu time spent up to now is 54.0 secs Computing kpt #: 268 total cpu time spent up to now is 54.2 secs Computing kpt #: 269 total cpu time spent up to now is 54.5 secs Computing kpt #: 270 total cpu time spent up to now is 54.7 secs Computing kpt #: 271 total cpu time spent up to now is 55.0 secs Computing kpt #: 272 total cpu time spent up to now is 55.2 secs Computing kpt #: 273 total cpu time spent up to now is 55.4 secs Computing kpt #: 274 total cpu time spent up to now is 55.7 secs Computing kpt #: 275 total cpu time spent up to now is 55.9 secs Computing kpt #: 276 total cpu time spent up to now is 56.2 secs Computing kpt #: 277 total cpu time spent up to now is 56.4 secs Computing kpt #: 278 total cpu time spent up to now is 56.6 secs Computing kpt #: 279 total cpu time spent up to now is 56.9 secs Computing kpt #: 280 total cpu time spent up to now is 57.1 secs Computing kpt #: 281 total cpu time spent up to now is 57.4 secs Computing kpt #: 282 total cpu time spent up to now is 57.6 secs Computing kpt #: 283 total cpu time spent up to now is 57.8 secs Computing kpt #: 284 total cpu time spent up to now is 58.1 secs Computing kpt #: 285 total cpu time spent up to now is 58.3 secs Computing kpt #: 286 total cpu time spent up to now is 58.5 secs Computing kpt #: 287 total cpu time spent up to now is 58.8 secs Computing kpt #: 288 total cpu time spent up to now is 59.0 secs Computing kpt #: 289 total cpu time spent up to now is 59.2 secs Computing kpt #: 290 total cpu time spent up to now is 59.4 secs Computing kpt #: 291 total cpu time spent up to now is 59.6 secs Computing kpt #: 292 total cpu time spent up to now is 59.8 secs Computing kpt #: 293 total cpu time spent up to now is 60.0 secs Computing kpt #: 294 total cpu time spent up to now is 60.2 secs Computing kpt #: 295 total cpu time spent up to now is 60.4 secs Computing kpt #: 296 total cpu time spent up to now is 60.6 secs Computing kpt #: 297 total cpu time spent up to now is 60.8 secs Computing kpt #: 298 total cpu time spent up to now is 61.0 secs Computing kpt #: 299 total cpu time spent up to now is 61.2 secs Computing kpt #: 300 total cpu time spent up to now is 61.4 secs Computing kpt #: 301 total cpu time spent up to now is 61.6 secs Computing kpt #: 302 total cpu time spent up to now is 61.8 secs Computing kpt #: 303 total cpu time spent up to now is 62.0 secs Computing kpt #: 304 total cpu time spent up to now is 62.2 secs Computing kpt #: 305 total cpu time spent up to now is 62.4 secs Computing kpt #: 306 total cpu time spent up to now is 62.7 secs Computing kpt #: 307 total cpu time spent up to now is 62.9 secs Computing kpt #: 308 total cpu time spent up to now is 63.1 secs Computing kpt #: 309 total cpu time spent up to now is 63.3 secs Computing kpt #: 310 total cpu time spent up to now is 63.5 secs Computing kpt #: 311 total cpu time spent up to now is 63.7 secs Computing kpt #: 312 total cpu time spent up to now is 63.9 secs Computing kpt #: 313 total cpu time spent up to now is 64.1 secs Computing kpt #: 314 total cpu time spent up to now is 64.3 secs Computing kpt #: 315 total cpu time spent up to now is 64.5 secs Computing kpt #: 316 total cpu time spent up to now is 64.7 secs Computing kpt #: 317 total cpu time spent up to now is 64.9 secs Computing kpt #: 318 total cpu time spent up to now is 65.1 secs Computing kpt #: 319 total cpu time spent up to now is 65.3 secs Computing kpt #: 320 total cpu time spent up to now is 65.5 secs Computing kpt #: 321 total cpu time spent up to now is 65.7 secs Computing kpt #: 322 total cpu time spent up to now is 65.9 secs Computing kpt #: 323 total cpu time spent up to now is 66.1 secs Computing kpt #: 324 total cpu time spent up to now is 66.3 secs Computing kpt #: 325 total cpu time spent up to now is 66.5 secs Computing kpt #: 326 total cpu time spent up to now is 66.7 secs Computing kpt #: 327 total cpu time spent up to now is 66.9 secs Computing kpt #: 328 total cpu time spent up to now is 67.0 secs Computing kpt #: 329 total cpu time spent up to now is 67.2 secs Computing kpt #: 330 total cpu time spent up to now is 67.4 secs Computing kpt #: 331 total cpu time spent up to now is 67.6 secs Computing kpt #: 332 total cpu time spent up to now is 67.9 secs Computing kpt #: 333 total cpu time spent up to now is 68.1 secs Computing kpt #: 334 total cpu time spent up to now is 68.4 secs Computing kpt #: 335 total cpu time spent up to now is 68.6 secs Computing kpt #: 336 total cpu time spent up to now is 68.9 secs Computing kpt #: 337 total cpu time spent up to now is 69.1 secs Computing kpt #: 338 total cpu time spent up to now is 69.4 secs Computing kpt #: 339 total cpu time spent up to now is 69.6 secs Computing kpt #: 340 total cpu time spent up to now is 69.9 secs Computing kpt #: 341 total cpu time spent up to now is 70.2 secs Computing kpt #: 342 total cpu time spent up to now is 70.4 secs Computing kpt #: 343 total cpu time spent up to now is 70.7 secs Computing kpt #: 344 total cpu time spent up to now is 70.9 secs Computing kpt #: 345 total cpu time spent up to now is 71.2 secs Computing kpt #: 346 total cpu time spent up to now is 71.4 secs Computing kpt #: 347 total cpu time spent up to now is 71.7 secs Computing kpt #: 348 total cpu time spent up to now is 71.9 secs Computing kpt #: 349 total cpu time spent up to now is 72.2 secs Computing kpt #: 350 total cpu time spent up to now is 72.4 secs Computing kpt #: 351 total cpu time spent up to now is 72.6 secs Computing kpt #: 352 total cpu time spent up to now is 72.9 secs Computing kpt #: 353 total cpu time spent up to now is 73.2 secs Computing kpt #: 354 total cpu time spent up to now is 73.4 secs Computing kpt #: 355 total cpu time spent up to now is 73.7 secs Computing kpt #: 356 total cpu time spent up to now is 73.9 secs Computing kpt #: 357 total cpu time spent up to now is 74.2 secs Computing kpt #: 358 total cpu time spent up to now is 74.4 secs Computing kpt #: 359 total cpu time spent up to now is 74.7 secs Computing kpt #: 360 total cpu time spent up to now is 75.0 secs Computing kpt #: 361 total cpu time spent up to now is 75.2 secs Computing kpt #: 362 total cpu time spent up to now is 75.5 secs Computing kpt #: 363 total cpu time spent up to now is 75.7 secs Computing kpt #: 364 total cpu time spent up to now is 76.0 secs Computing kpt #: 365 total cpu time spent up to now is 76.3 secs Computing kpt #: 366 total cpu time spent up to now is 76.5 secs Computing kpt #: 367 total cpu time spent up to now is 76.8 secs Computing kpt #: 368 total cpu time spent up to now is 77.1 secs Computing kpt #: 369 total cpu time spent up to now is 77.4 secs Computing kpt #: 370 total cpu time spent up to now is 77.8 secs Computing kpt #: 371 total cpu time spent up to now is 78.1 secs Computing kpt #: 372 total cpu time spent up to now is 78.6 secs Computing kpt #: 373 total cpu time spent up to now is 78.9 secs Computing kpt #: 374 total cpu time spent up to now is 79.1 secs Computing kpt #: 375 total cpu time spent up to now is 79.3 secs Computing kpt #: 376 total cpu time spent up to now is 79.5 secs Computing kpt #: 377 total cpu time spent up to now is 79.7 secs Computing kpt #: 378 total cpu time spent up to now is 79.9 secs Computing kpt #: 379 total cpu time spent up to now is 80.1 secs Computing kpt #: 380 total cpu time spent up to now is 80.3 secs Computing kpt #: 381 total cpu time spent up to now is 80.5 secs Computing kpt #: 382 total cpu time spent up to now is 80.7 secs ethr = 3.33E-08, avg # of iterations = 17.1 total cpu time spent up to now is 80.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2601 PWs) bands (ev): -68.0115 -68.0115 -40.4810 -40.4810 -36.8039 -36.8039 -32.3230 -32.3230 -32.3230 -32.3230 -17.0745 -17.0745 -16.4127 -16.4127 -16.4127 -16.4127 9.7888 9.7888 11.9793 11.9793 11.9793 11.9793 14.0019 14.0019 14.0019 14.0019 14.2615 14.2615 17.5299 17.5299 17.5299 17.5299 19.1618 19.1618 19.1618 19.1618 19.2353 19.2353 k = 0.0000 0.0100-0.0000 ( 2601 PWs) bands (ev): -68.0115 -68.0115 -40.4810 -40.4810 -36.8039 -36.8039 -32.3231 -32.3231 -32.3230 -32.3230 -17.0745 -17.0745 -16.4128 -16.4128 -16.4127 -16.4127 9.7906 9.7906 11.9800 11.9800 11.9803 11.9803 14.0016 14.0016 14.0020 14.0020 14.2614 14.2614 17.5288 17.5288 17.5303 17.5303 19.1592 19.1592 19.1606 19.1606 19.2335 19.2335 k = 0.0000 0.0200-0.0000 ( 2589 PWs) bands (ev): -68.0115 -68.0115 -40.4809 -40.4809 -36.8038 -36.8038 -32.3231 -32.3231 -32.3230 -32.3230 -17.0747 -17.0747 -16.4131 -16.4131 -16.4127 -16.4127 9.7960 9.7960 11.9820 11.9820 11.9835 11.9835 14.0006 14.0006 14.0024 14.0024 14.2611 14.2611 17.5256 17.5256 17.5315 17.5315 19.1515 19.1515 19.1569 19.1569 19.2280 19.2280 k = 0.0000 0.0300-0.0000 ( 2585 PWs) bands (ev): -68.0115 -68.0115 -40.4809 -40.4809 -36.8039 -36.8039 -32.3232 -32.3232 -32.3229 -32.3229 -17.0749 -17.0749 -16.4137 -16.4137 -16.4127 -16.4127 9.8051 9.8051 11.9853 11.9853 11.9887 11.9887 13.9991 13.9991 14.0030 14.0030 14.2607 14.2607 17.5202 17.5202 17.5335 17.5335 19.1388 19.1388 19.1503 19.1503 19.2195 19.2195 k = 0.0000 0.0400-0.0000 ( 2585 PWs) bands (ev): -68.0115 -68.0115 -40.4808 -40.4808 -36.8039 -36.8039 -32.3234 -32.3234 -32.3229 -32.3229 -17.0752 -17.0752 -16.4144 -16.4144 -16.4126 -16.4126 9.8178 9.8178 11.9900 11.9900 11.9959 11.9959 13.9969 13.9969 14.0038 14.0038 14.2601 14.2601 17.5127 17.5127 17.5363 17.5363 19.1211 19.1211 19.1400 19.1400 19.2087 19.2087 k = 0.0000 0.0500-0.0000 ( 2585 PWs) bands (ev): -68.0115 -68.0115 -40.4807 -40.4807 -36.8040 -36.8040 -32.3236 -32.3236 -32.3229 -32.3229 -17.0756 -17.0756 -16.4154 -16.4154 -16.4125 -16.4125 9.8341 9.8341 11.9959 11.9959 12.0052 12.0052 13.9941 13.9941 14.0047 14.0047 14.2594 14.2594 17.5031 17.5031 17.5399 17.5399 19.0988 19.0988 19.1251 19.1251 19.1970 19.1970 k = 0.0000 0.0600-0.0000 ( 2605 PWs) bands (ev): -68.0115 -68.0115 -40.4806 -40.4806 -36.8042 -36.8042 -32.3241 -32.3241 -32.3228 -32.3228 -17.0761 -17.0761 -16.4165 -16.4165 -16.4125 -16.4125 9.8540 9.8540 12.0032 12.0032 12.0165 12.0165 13.9908 13.9908 14.0059 14.0059 14.2587 14.2587 17.4914 17.4914 17.5441 17.5441 19.0720 19.0720 19.1048 19.1048 19.1851 19.1851 k = 0.0000 0.0700-0.0000 ( 2605 PWs) bands (ev): -68.0114 -68.0114 -40.4805 -40.4805 -36.8042 -36.8042 -32.3244 -32.3244 -32.3228 -32.3228 -17.0767 -17.0767 -16.4179 -16.4179 -16.4124 -16.4124 9.8774 9.8774 12.0118 12.0118 12.0298 12.0298 13.9869 13.9869 14.0070 14.0070 14.2580 14.2580 17.4777 17.4777 17.5490 17.5490 19.0410 19.0410 19.0791 19.0791 19.1736 19.1736 k = 0.0000 0.0800-0.0000 ( 2601 PWs) bands (ev): -68.0114 -68.0114 -40.4803 -40.4803 -36.8043 -36.8043 -32.3248 -32.3248 -32.3227 -32.3227 -17.0774 -17.0774 -16.4194 -16.4194 -16.4123 -16.4123 9.9044 9.9044 12.0216 12.0216 12.0451 12.0451 13.9824 13.9824 14.0083 14.0083 14.2573 14.2573 17.4619 17.4619 17.5545 17.5545 19.0062 19.0062 19.0483 19.0483 19.1624 19.1624 k = 0.0000 0.0900-0.0000 ( 2601 PWs) bands (ev): -68.0114 -68.0114 -40.4801 -40.4801 -36.8044 -36.8044 -32.3252 -32.3252 -32.3226 -32.3226 -17.0781 -17.0781 -16.4211 -16.4211 -16.4122 -16.4122 9.9348 9.9348 12.0327 12.0327 12.0623 12.0623 13.9774 13.9774 14.0094 14.0094 14.2568 14.2568 17.4442 17.4442 17.5605 17.5605 18.9679 18.9679 19.0130 19.0130 19.1511 19.1511 k = 0.0000 0.1000-0.0000 ( 2597 PWs) bands (ev): -68.0113 -68.0113 -40.4800 -40.4800 -36.8046 -36.8046 -32.3257 -32.3257 -32.3225 -32.3225 -17.0789 -17.0789 -16.4230 -16.4230 -16.4120 -16.4120 9.9687 9.9687 12.0450 12.0450 12.0813 12.0813 13.9719 13.9719 14.0105 14.0105 14.2566 14.2566 17.4245 17.4245 17.5670 17.5670 18.9265 18.9265 18.9740 18.9740 19.1395 19.1395 k = 0.0000 0.1100-0.0000 ( 2605 PWs) bands (ev): -68.0113 -68.0113 -40.4797 -40.4797 -36.8047 -36.8047 -32.3263 -32.3263 -32.3225 -32.3225 -17.0799 -17.0799 -16.4250 -16.4250 -16.4119 -16.4119 10.0060 10.0060 12.0586 12.0586 12.1022 12.1022 13.9659 13.9659 14.0113 14.0113 14.2566 14.2566 17.4029 17.4029 17.5738 17.5738 18.8822 18.8822 18.9316 18.9316 19.1275 19.1275 k = 0.0000 0.1200-0.0000 ( 2605 PWs) bands (ev): -68.0112 -68.0112 -40.4795 -40.4795 -36.8049 -36.8049 -32.3268 -32.3268 -32.3224 -32.3224 -17.0808 -17.0808 -16.4272 -16.4272 -16.4117 -16.4117 10.0466 10.0466 12.0733 12.0733 12.1248 12.1248 13.9595 13.9595 14.0119 14.0119 14.2571 14.2571 17.3796 17.3796 17.5809 17.5809 18.8354 18.8354 18.8865 18.8865 19.1149 19.1149 k = 0.0000 0.1300-0.0000 ( 2605 PWs) bands (ev): -68.0112 -68.0112 -40.4793 -40.4793 -36.8050 -36.8050 -32.3275 -32.3275 -32.3223 -32.3223 -17.0819 -17.0819 -16.4295 -16.4295 -16.4116 -16.4116 10.0904 10.0904 12.0891 12.0891 12.1492 12.1492 13.9527 13.9527 14.0121 14.0121 14.2580 14.2580 17.3544 17.3544 17.5881 17.5881 18.7866 18.7866 18.8390 18.8390 19.1016 19.1016 k = 0.0000 0.1400-0.0000 ( 2613 PWs) bands (ev): -68.0111 -68.0111 -40.4790 -40.4790 -36.8053 -36.8053 -32.3282 -32.3282 -32.3222 -32.3222 -17.0831 -17.0831 -16.4320 -16.4320 -16.4114 -16.4114 10.1375 10.1375 12.1061 12.1061 12.1752 12.1752 13.9454 13.9454 14.0119 14.0119 14.2596 14.2596 17.3276 17.3276 17.5953 17.5953 18.7359 18.7359 18.7896 18.7896 19.0878 19.0878 k = 0.0000 0.1500-0.0000 ( 2629 PWs) bands (ev): -68.0111 -68.0111 -40.4788 -40.4788 -36.8055 -36.8055 -32.3289 -32.3289 -32.3222 -32.3222 -17.0843 -17.0843 -16.4346 -16.4346 -16.4112 -16.4112 10.1877 10.1877 12.1242 12.1242 12.2028 12.2028 13.9379 13.9379 14.0111 14.0111 14.2618 14.2618 17.2991 17.2991 17.6024 17.6024 18.6838 18.6838 18.7385 18.7385 19.0732 19.0732 k = 0.0000 0.1600-0.0000 ( 2629 PWs) bands (ev): -68.0110 -68.0110 -40.4785 -40.4785 -36.8057 -36.8057 -32.3296 -32.3296 -32.3220 -32.3220 -17.0856 -17.0856 -16.4373 -16.4373 -16.4110 -16.4110 10.2410 10.2410 12.1433 12.1433 12.2319 12.2319 13.9300 13.9300 14.0098 14.0098 14.2647 14.2647 17.2691 17.2691 17.6091 17.6091 18.6306 18.6306 18.6861 18.6861 19.0581 19.0581 k = 0.0000 0.1700-0.0000 ( 2629 PWs) bands (ev): -68.0110 -68.0110 -40.4782 -40.4782 -36.8059 -36.8059 -32.3304 -32.3304 -32.3219 -32.3219 -17.0869 -17.0869 -16.4401 -16.4401 -16.4108 -16.4108 10.2972 10.2972 12.1634 12.1634 12.2625 12.2625 13.9218 13.9218 14.0079 14.0079 14.2684 14.2684 17.2377 17.2377 17.6154 17.6154 18.5765 18.5765 18.6327 18.6327 19.0423 19.0423 k = 0.0000 0.1800-0.0000 ( 2629 PWs) bands (ev): -68.0109 -68.0109 -40.4779 -40.4779 -36.8061 -36.8061 -32.3312 -32.3312 -32.3218 -32.3218 -17.0884 -17.0884 -16.4429 -16.4429 -16.4106 -16.4106 10.3563 10.3563 12.1845 12.1845 12.2945 12.2945 13.9134 13.9134 14.0054 14.0054 14.2728 14.2728 17.2049 17.2049 17.6209 17.6209 18.5218 18.5218 18.5786 18.5786 19.0261 19.0261 k = 0.0000 0.1900-0.0000 ( 2641 PWs) bands (ev): -68.0108 -68.0108 -40.4776 -40.4776 -36.8064 -36.8064 -32.3320 -32.3320 -32.3217 -32.3217 -17.0898 -17.0898 -16.4459 -16.4459 -16.4104 -16.4104 10.4181 10.4181 12.2064 12.2064 12.3278 12.3278 13.9048 13.9048 14.0023 14.0023 14.2781 14.2781 17.1708 17.1708 17.6255 17.6255 18.4668 18.4668 18.5241 18.5241 19.0093 19.0093 k = 0.0000 0.2000-0.0000 ( 2641 PWs) bands (ev): -68.0108 -68.0108 -40.4773 -40.4773 -36.8066 -36.8066 -32.3328 -32.3328 -32.3215 -32.3215 -17.0914 -17.0914 -16.4488 -16.4488 -16.4102 -16.4102 10.4826 10.4826 12.2293 12.2293 12.3624 12.3624 13.8960 13.8960 13.9987 13.9987 14.2841 14.2841 17.1355 17.1355 17.6288 17.6288 18.4117 18.4117 18.4694 18.4694 18.9920 18.9920 k = 0.0000 0.2100-0.0000 ( 2641 PWs) bands (ev): -68.0107 -68.0107 -40.4769 -40.4769 -36.8068 -36.8068 -32.3337 -32.3337 -32.3214 -32.3214 -17.0929 -17.0929 -16.4519 -16.4519 -16.4100 -16.4100 10.5495 10.5495 12.2528 12.2528 12.3982 12.3982 13.8871 13.8871 13.9944 13.9944 14.2909 14.2909 17.0992 17.0992 17.6307 17.6307 18.3568 18.3568 18.4147 18.4147 18.9744 18.9744 k = 0.0000 0.2200-0.0000 ( 2641 PWs) bands (ev): -68.0106 -68.0106 -40.4766 -40.4766 -36.8070 -36.8070 -32.3345 -32.3345 -32.3213 -32.3213 -17.0945 -17.0945 -16.4549 -16.4549 -16.4098 -16.4098 10.6187 10.6187 12.2771 12.2771 12.4350 12.4350 13.8781 13.8781 13.9897 13.9897 14.2983 14.2983 17.0619 17.0619 17.6308 17.6308 18.3022 18.3022 18.3604 18.3604 18.9564 18.9564 k = 0.0000 0.2300-0.0000 ( 2641 PWs) bands (ev): -68.0105 -68.0105 -40.4763 -40.4763 -36.8073 -36.8073 -32.3354 -32.3354 -32.3211 -32.3211 -17.0962 -17.0962 -16.4580 -16.4580 -16.4096 -16.4096 10.6901 10.6901 12.3021 12.3021 12.4730 12.4730 13.8691 13.8691 13.9846 13.9846 14.3064 14.3064 17.0237 17.0237 17.6288 17.6288 18.2483 18.2483 18.3064 18.3064 18.9382 18.9382 k = 0.0000 0.2400-0.0000 ( 2649 PWs) bands (ev): -68.0105 -68.0105 -40.4759 -40.4759 -36.8075 -36.8075 -32.3363 -32.3363 -32.3210 -32.3210 -17.0979 -17.0979 -16.4611 -16.4611 -16.4093 -16.4093 10.7634 10.7634 12.3276 12.3276 12.5119 12.5119 13.8601 13.8601 13.9790 13.9790 14.3150 14.3150 16.9849 16.9849 17.6243 17.6243 18.1950 18.1950 18.2532 18.2532 18.9197 18.9197 k = 0.0000 0.2500-0.0000 ( 2657 PWs) bands (ev): -68.0104 -68.0104 -40.4756 -40.4756 -36.8078 -36.8078 -32.3372 -32.3372 -32.3208 -32.3208 -17.0996 -17.0996 -16.4641 -16.4641 -16.4091 -16.4091 10.8385 10.8385 12.3537 12.3537 12.5518 12.5518 13.8511 13.8511 13.9732 13.9732 14.3241 14.3241 16.9455 16.9455 17.6169 17.6169 18.1427 18.1427 18.2008 18.2008 18.9011 18.9011 k = 0.0000 0.2600-0.0000 ( 2641 PWs) bands (ev): -68.0103 -68.0103 -40.4752 -40.4752 -36.8079 -36.8079 -32.3379 -32.3379 -32.3207 -32.3207 -17.1013 -17.1013 -16.4672 -16.4672 -16.4089 -16.4089 10.9152 10.9152 12.3801 12.3801 12.5926 12.5926 13.8422 13.8422 13.9671 13.9671 14.3337 14.3337 16.9056 16.9056 17.6063 17.6063 18.0915 18.0915 18.1493 18.1493 18.8825 18.8825 k = 0.0000 0.2700-0.0000 ( 2641 PWs) bands (ev): -68.0102 -68.0102 -40.4749 -40.4749 -36.8082 -36.8082 -32.3388 -32.3388 -32.3205 -32.3205 -17.1031 -17.1031 -16.4702 -16.4702 -16.4086 -16.4086 10.9931 10.9931 12.4069 12.4069 12.6343 12.6343 13.8334 13.8334 13.9609 13.9609 14.3436 14.3436 16.8654 16.8654 17.5921 17.5921 18.0415 18.0415 18.0990 18.0990 18.8638 18.8638 k = 0.0000 0.2800-0.0000 ( 2633 PWs) bands (ev): -68.0102 -68.0102 -40.4746 -40.4746 -36.8084 -36.8084 -32.3396 -32.3396 -32.3203 -32.3203 -17.1048 -17.1048 -16.4731 -16.4731 -16.4084 -16.4084 11.0721 11.0721 12.4339 12.4339 12.6768 12.6768 13.8247 13.8247 13.9545 13.9545 14.3537 14.3537 16.8250 16.8250 17.5738 17.5738 17.9928 17.9928 18.0500 18.0500 18.8452 18.8452 k = 0.0000 0.2900-0.0000 ( 2633 PWs) bands (ev): -68.0101 -68.0101 -40.4742 -40.4742 -36.8086 -36.8086 -32.3405 -32.3405 -32.3202 -32.3202 -17.1066 -17.1066 -16.4760 -16.4760 -16.4082 -16.4082 11.1517 11.1517 12.4610 12.4610 12.7201 12.7201 13.8162 13.8162 13.9480 13.9480 14.3641 14.3641 16.7846 16.7846 17.5512 17.5512 17.9455 17.9455 18.0024 18.0024 18.8267 18.8267 k = 0.0000 0.3000-0.0000 ( 2625 PWs) bands (ev): -68.0100 -68.0100 -40.4739 -40.4739 -36.8088 -36.8088 -32.3413 -32.3413 -32.3200 -32.3200 -17.1083 -17.1083 -16.4789 -16.4789 -16.4080 -16.4080 11.2317 11.2317 12.4881 12.4881 12.7643 12.7643 13.8078 13.8078 13.9416 13.9416 14.3746 14.3746 16.7444 16.7444 17.5238 17.5238 17.8998 17.8998 17.9563 17.9563 18.8085 18.8085 k = 0.0000 0.3100-0.0000 ( 2617 PWs) bands (ev): -68.0100 -68.0100 -40.4736 -40.4736 -36.8089 -36.8089 -32.3420 -32.3420 -32.3198 -32.3198 -17.1100 -17.1100 -16.4816 -16.4816 -16.4078 -16.4078 11.3116 11.3116 12.5152 12.5152 12.8092 12.8092 13.7997 13.7997 13.9352 13.9352 14.3851 14.3851 16.7044 16.7044 17.4914 17.4914 17.8558 17.8558 17.9118 17.9118 18.7905 18.7905 k = 0.0000 0.3200-0.0000 ( 2613 PWs) bands (ev): -68.0099 -68.0099 -40.4733 -40.4733 -36.8091 -36.8091 -32.3428 -32.3428 -32.3197 -32.3197 -17.1117 -17.1117 -16.4843 -16.4843 -16.4076 -16.4076 11.3912 11.3912 12.5420 12.5420 12.8550 12.8550 13.7919 13.7919 13.9290 13.9290 14.3956 14.3956 16.6650 16.6650 17.4539 17.4539 17.8134 17.8134 17.8691 17.8691 18.7729 18.7729 k = 0.0000 0.3300-0.0000 ( 2621 PWs) bands (ev): -68.0098 -68.0098 -40.4730 -40.4730 -36.8094 -36.8094 -32.3436 -32.3436 -32.3196 -32.3196 -17.1134 -17.1134 -16.4868 -16.4868 -16.4074 -16.4074 11.4699 11.4699 12.5685 12.5685 12.9016 12.9016 13.7843 13.7843 13.9228 13.9228 14.4060 14.4060 16.6261 16.6261 17.4111 17.4111 17.7728 17.7728 17.8282 17.8282 18.7558 18.7558 k = 0.0000 0.3400-0.0000 ( 2621 PWs) bands (ev): -68.0098 -68.0098 -40.4727 -40.4727 -36.8096 -36.8096 -32.3444 -32.3444 -32.3195 -32.3195 -17.1150 -17.1150 -16.4893 -16.4893 -16.4072 -16.4072 11.5472 11.5472 12.5945 12.5945 12.9491 12.9491 13.7771 13.7771 13.9169 13.9169 14.4163 14.4163 16.5881 16.5881 17.3631 17.3631 17.7340 17.7340 17.7892 17.7892 18.7391 18.7391 k = 0.0000 0.3500-0.0000 ( 2621 PWs) bands (ev): -68.0097 -68.0097 -40.4724 -40.4724 -36.8098 -36.8098 -32.3451 -32.3451 -32.3194 -32.3194 -17.1166 -17.1166 -16.4917 -16.4917 -16.4070 -16.4070 11.6228 11.6228 12.6200 12.6200 12.9974 12.9974 13.7701 13.7701 13.9112 13.9112 14.4263 14.4263 16.5511 16.5511 17.3102 17.3102 17.6972 17.6972 17.7522 17.7522 18.7231 18.7231 k = 0.0000 0.3600-0.0000 ( 2629 PWs) bands (ev): -68.0096 -68.0096 -40.4721 -40.4721 -36.8100 -36.8100 -32.3458 -32.3458 -32.3193 -32.3193 -17.1181 -17.1181 -16.4939 -16.4939 -16.4068 -16.4068 11.6960 11.6960 12.6447 12.6447 13.0465 13.0465 13.7634 13.7634 13.9057 13.9057 14.4361 14.4361 16.5152 16.5152 17.2526 17.2526 17.6624 17.6624 17.7173 17.7173 18.7076 18.7076 k = 0.0000 0.3700-0.0000 ( 2629 PWs) bands (ev): -68.0096 -68.0096 -40.4719 -40.4719 -36.8102 -36.8102 -32.3465 -32.3465 -32.3191 -32.3191 -17.1195 -17.1195 -16.4960 -16.4960 -16.4066 -16.4066 11.7663 11.7663 12.6685 12.6685 13.0963 13.0963 13.7570 13.7570 13.9006 13.9006 14.4455 14.4455 16.4808 16.4808 17.1911 17.1911 17.6296 17.6296 17.6845 17.6845 18.6930 18.6930 k = 0.0000 0.3800-0.0000 ( 2629 PWs) bands (ev): -68.0095 -68.0095 -40.4717 -40.4717 -36.8103 -36.8103 -32.3471 -32.3471 -32.3190 -32.3190 -17.1209 -17.1209 -16.4980 -16.4980 -16.4065 -16.4065 11.8333 11.8333 12.6913 12.6913 13.1468 13.1468 13.7509 13.7509 13.8957 13.8957 14.4545 14.4545 16.4478 16.4478 17.1262 17.1262 17.5991 17.5991 17.6539 17.6539 18.6791 18.6791 k = 0.0000 0.3900-0.0000 ( 2629 PWs) bands (ev): -68.0095 -68.0095 -40.4714 -40.4714 -36.8105 -36.8105 -32.3476 -32.3476 -32.3189 -32.3189 -17.1222 -17.1222 -16.4998 -16.4998 -16.4063 -16.4063 11.8964 11.8964 12.7130 12.7130 13.1976 13.1976 13.7451 13.7451 13.8912 13.8912 14.4630 14.4630 16.4167 16.4167 17.0590 17.0590 17.5707 17.5707 17.6255 17.6255 18.6660 18.6660 k = 0.0000 0.4000-0.0000 ( 2637 PWs) bands (ev): -68.0095 -68.0095 -40.4712 -40.4712 -36.8106 -36.8106 -32.3482 -32.3482 -32.3189 -32.3189 -17.1234 -17.1234 -16.5015 -16.5015 -16.4062 -16.4062 11.9551 11.9551 12.7334 12.7334 13.2485 13.2485 13.7395 13.7395 13.8871 13.8871 14.4710 14.4710 16.3874 16.3874 16.9906 16.9906 17.5447 17.5447 17.5995 17.5995 18.6539 18.6539 k = 0.0000 0.4100-0.0000 ( 2637 PWs) bands (ev): -68.0094 -68.0094 -40.4710 -40.4710 -36.8108 -36.8108 -32.3487 -32.3487 -32.3188 -32.3188 -17.1245 -17.1245 -16.5030 -16.5030 -16.4060 -16.4060 12.0092 12.0092 12.7523 12.7523 13.2990 13.2990 13.7341 13.7341 13.8833 13.8833 14.4785 14.4785 16.3603 16.3603 16.9221 16.9221 17.5210 17.5210 17.5758 17.5758 18.6427 18.6427 k = 0.0000 0.4200-0.0000 ( 2633 PWs) bands (ev): -68.0094 -68.0094 -40.4709 -40.4709 -36.8109 -36.8109 -32.3491 -32.3491 -32.3187 -32.3187 -17.1256 -17.1256 -16.5044 -16.5044 -16.4059 -16.4059 12.0581 12.0581 12.7696 12.7696 13.3487 13.3487 13.7288 13.7288 13.8799 13.8799 14.4853 14.4853 16.3355 16.3355 16.8549 16.8549 17.4997 17.4997 17.5544 17.5544 18.6325 18.6325 k = 0.0000 0.4300-0.0000 ( 2621 PWs) bands (ev): -68.0093 -68.0093 -40.4707 -40.4707 -36.8109 -36.8109 -32.3494 -32.3494 -32.3186 -32.3186 -17.1265 -17.1265 -16.5057 -16.5057 -16.4058 -16.4058 12.1017 12.1017 12.7853 12.7853 13.3967 13.3967 13.7235 13.7235 13.8769 13.8769 14.4914 14.4914 16.3131 16.3131 16.7905 16.7905 17.4808 17.4808 17.5355 17.5355 18.6235 18.6235 k = 0.0000 0.4400-0.0000 ( 2621 PWs) bands (ev): -68.0093 -68.0093 -40.4706 -40.4706 -36.8110 -36.8110 -32.3498 -32.3498 -32.3185 -32.3185 -17.1273 -17.1273 -16.5067 -16.5067 -16.4057 -16.4057 12.1398 12.1398 12.7991 12.7991 13.4424 13.4424 13.7180 13.7180 13.8743 13.8743 14.4968 14.4968 16.2934 16.2934 16.7305 16.7305 17.4644 17.4644 17.5191 17.5191 18.6155 18.6155 k = 0.0000 0.4500-0.0000 ( 2622 PWs) bands (ev): -68.0093 -68.0093 -40.4705 -40.4705 -36.8111 -36.8111 -32.3501 -32.3501 -32.3185 -32.3185 -17.1279 -17.1279 -16.5076 -16.5076 -16.4057 -16.4057 12.1721 12.1721 12.8110 12.8110 13.4847 13.4847 13.7123 13.7123 13.8721 13.8721 14.5014 14.5014 16.2764 16.2764 16.6762 16.6762 17.4504 17.4504 17.5051 17.5051 18.6087 18.6087 k = 0.0000 0.4600-0.0000 ( 2622 PWs) bands (ev): -68.0093 -68.0093 -40.4704 -40.4704 -36.8112 -36.8112 -32.3503 -32.3503 -32.3184 -32.3184 -17.1285 -17.1285 -16.5084 -16.5084 -16.4056 -16.4056 12.1986 12.1986 12.8209 12.8209 13.5229 13.5229 13.7061 13.7061 13.8703 13.8703 14.5053 14.5053 16.2624 16.2624 16.6294 16.6294 17.4390 17.4390 17.4937 17.4937 18.6031 18.6031 k = 0.0000 0.4700-0.0000 ( 2622 PWs) bands (ev): -68.0092 -68.0092 -40.4703 -40.4703 -36.8112 -36.8112 -32.3505 -32.3505 -32.3184 -32.3184 -17.1289 -17.1289 -16.5090 -16.5090 -16.4055 -16.4055 12.2193 12.2193 12.8286 12.8286 13.5560 13.5560 13.6993 13.6993 13.8689 13.8689 14.5083 14.5083 16.2513 16.2513 16.5912 16.5912 17.4301 17.4301 17.4848 17.4848 18.5987 18.5987 k = 0.0000 0.4800-0.0000 ( 2622 PWs) bands (ev): -68.0092 -68.0092 -40.4702 -40.4702 -36.8112 -36.8112 -32.3506 -32.3506 -32.3184 -32.3184 -17.1293 -17.1293 -16.5094 -16.5094 -16.4055 -16.4055 12.2340 12.2340 12.8342 12.8342 13.5826 13.5826 13.6922 13.6922 13.8679 13.8679 14.5104 14.5104 16.2434 16.2434 16.5630 16.5630 17.4237 17.4237 17.4784 17.4784 18.5956 18.5956 k = 0.0000 0.4900-0.0000 ( 2614 PWs) bands (ev): -68.0092 -68.0092 -40.4702 -40.4702 -36.8112 -36.8112 -32.3507 -32.3507 -32.3183 -32.3183 -17.1295 -17.1295 -16.5097 -16.5097 -16.4055 -16.4055 12.2429 12.2429 12.8376 12.8376 13.6010 13.6010 13.6859 13.6859 13.8673 13.8673 14.5118 14.5118 16.2385 16.2385 16.5456 16.5456 17.4199 17.4199 17.4745 17.4745 18.5937 18.5937 k = 0.0000 0.5000-0.0000 ( 2594 PWs) bands (ev): -68.0092 -68.0092 -40.4702 -40.4702 -36.8111 -36.8111 -32.3506 -32.3506 -32.3183 -32.3183 -17.1295 -17.1295 -16.5097 -16.5097 -16.4055 -16.4055 12.2458 12.2458 12.8387 12.8387 13.6078 13.6078 13.6832 13.6832 13.8671 13.8671 14.5122 14.5122 16.2369 16.2369 16.5398 16.5398 17.4186 17.4186 17.4733 17.4733 18.5930 18.5930 k = 0.0000 0.5000-0.0000 ( 2594 PWs) bands (ev): -68.0092 -68.0092 -40.4702 -40.4702 -36.8111 -36.8111 -32.3506 -32.3506 -32.3183 -32.3183 -17.1295 -17.1295 -16.5097 -16.5097 -16.4055 -16.4055 12.2458 12.2458 12.8387 12.8387 13.6078 13.6078 13.6832 13.6832 13.8671 13.8671 14.5122 14.5122 16.2369 16.2369 16.5398 16.5398 17.4186 17.4186 17.4733 17.4733 18.5930 18.5930 k = 0.0100 0.5000-0.0000 ( 2614 PWs) bands (ev): -68.0092 -68.0092 -40.4702 -40.4702 -36.8112 -36.8112 -32.3507 -32.3507 -32.3184 -32.3184 -17.1295 -17.1295 -16.5097 -16.5097 -16.4055 -16.4055 12.2467 12.2467 12.8391 12.8391 13.5844 13.5844 13.7003 13.7003 13.8731 13.8731 14.5102 14.5102 16.2391 16.2391 16.5382 16.5382 17.4210 17.4210 17.4755 17.4755 18.5937 18.5937 k = 0.0200 0.5000-0.0000 ( 2622 PWs) bands (ev): -68.0092 -68.0092 -40.4701 -40.4701 -36.8113 -36.8113 -32.3507 -32.3507 -32.3185 -32.3185 -17.1296 -17.1296 -16.5098 -16.5098 -16.4057 -16.4057 12.2494 12.2494 12.8401 12.8401 13.5397 13.5397 13.7251 13.7251 13.8921 13.8921 14.5044 14.5044 16.2455 16.2455 16.5336 16.5336 17.4282 17.4282 17.4821 17.4821 18.5958 18.5958 k = 0.0300 0.5000-0.0000 ( 2622 PWs) bands (ev): -68.0092 -68.0092 -40.4700 -40.4700 -36.8114 -36.8114 -32.3508 -32.3508 -32.3186 -32.3186 -17.1297 -17.1297 -16.5099 -16.5099 -16.4061 -16.4061 12.2539 12.2539 12.8419 12.8419 13.4895 13.4895 13.7414 13.7414 13.9246 13.9246 14.4947 14.4947 16.2560 16.2560 16.5262 16.5262 17.4399 17.4399 17.4931 17.4931 18.5993 18.5993 k = 0.0400 0.5000-0.0000 ( 2628 PWs) bands (ev): -68.0092 -68.0092 -40.4699 -40.4699 -36.8115 -36.8115 -32.3509 -32.3509 -32.3188 -32.3188 -17.1298 -17.1298 -16.5100 -16.5100 -16.4065 -16.4065 12.2599 12.2599 12.8445 12.8445 13.4374 13.4374 13.7486 13.7486 13.9678 13.9678 14.4815 14.4815 16.2707 16.2707 16.5162 16.5162 17.4559 17.4559 17.5082 17.5082 18.6042 18.6042 k = 0.0500 0.5000-0.0000 ( 2628 PWs) bands (ev): -68.0092 -68.0092 -40.4698 -40.4698 -36.8116 -36.8116 -32.3510 -32.3510 -32.3190 -32.3190 -17.1300 -17.1300 -16.5101 -16.5101 -16.4070 -16.4070 12.2673 12.2673 12.8480 12.8480 13.3844 13.3844 13.7493 13.7493 14.0178 14.0178 14.4649 14.4649 16.2892 16.2892 16.5040 16.5040 17.4759 17.4759 17.5273 17.5273 18.6104 18.6104 k = 0.0600 0.5000-0.0000 ( 2628 PWs) bands (ev): -68.0091 -68.0091 -40.4696 -40.4696 -36.8117 -36.8117 -32.3511 -32.3511 -32.3192 -32.3192 -17.1302 -17.1302 -16.5103 -16.5103 -16.4077 -16.4077 12.2759 12.2759 12.8527 12.8527 13.3312 13.3312 13.7459 13.7459 14.0718 14.0718 14.4455 14.4455 16.3114 16.3114 16.4901 16.4901 17.4993 17.4993 17.5502 17.5502 18.6179 18.6179 k = 0.0700 0.5000-0.0000 ( 2632 PWs) bands (ev): -68.0091 -68.0091 -40.4694 -40.4694 -36.8119 -36.8119 -32.3512 -32.3512 -32.3195 -32.3195 -17.1304 -17.1304 -16.5105 -16.5105 -16.4085 -16.4085 12.2854 12.2854 12.8586 12.8586 13.2783 13.2783 13.7396 13.7396 14.1280 14.1280 14.4238 14.4238 16.3366 16.3366 16.4752 16.4752 17.5255 17.5255 17.5770 17.5770 18.6267 18.6267 k = 0.0800 0.5000-0.0000 ( 2628 PWs) bands (ev): -68.0091 -68.0091 -40.4692 -40.4692 -36.8120 -36.8120 -32.3513 -32.3513 -32.3198 -32.3198 -17.1307 -17.1307 -16.5107 -16.5107 -16.4093 -16.4093 12.2954 12.2954 12.8658 12.8658 13.2261 13.2261 13.7312 13.7312 14.1845 14.1845 14.4013 14.4013 16.3638 16.3638 16.4606 16.4606 17.5539 17.5539 17.6074 17.6074 18.6367 18.6367 k = 0.0900 0.5000-0.0000 ( 2632 PWs) bands (ev): -68.0090 -68.0090 -40.4690 -40.4690 -36.8122 -36.8122 -32.3515 -32.3515 -32.3202 -32.3202 -17.1311 -17.1311 -16.5110 -16.5110 -16.4103 -16.4103 12.3055 12.3055 12.8741 12.8741 13.1754 13.1754 13.7211 13.7211 14.2371 14.2371 14.3822 14.3822 16.3885 16.3885 16.4509 16.4509 17.5838 17.5838 17.6416 17.6416 18.6478 18.6478 k = 0.1000 0.5000-0.0000 ( 2632 PWs) bands (ev): -68.0090 -68.0090 -40.4687 -40.4687 -36.8124 -36.8124 -32.3516 -32.3516 -32.3206 -32.3206 -17.1314 -17.1314 -16.5113 -16.5113 -16.4113 -16.4113 12.3153 12.3153 12.8827 12.8827 13.1273 13.1273 13.7094 13.7094 14.2711 14.2711 14.3812 14.3812 16.3965 16.3965 16.4605 16.4605 17.6147 17.6147 17.6792 17.6792 18.6601 18.6601 k = 0.1100 0.5000-0.0000 ( 2636 PWs) bands (ev): -68.0090 -68.0090 -40.4684 -40.4684 -36.8126 -36.8126 -32.3518 -32.3518 -32.3210 -32.3210 -17.1318 -17.1318 -16.5117 -16.5117 -16.4124 -16.4124 12.3245 12.3245 12.8895 12.8895 13.0846 13.0846 13.6965 13.6965 14.2674 14.2674 14.4176 14.4176 16.3857 16.3857 16.4912 16.4912 17.6462 17.6462 17.7201 17.7201 18.6734 18.6734 k = 0.1200 0.5000-0.0000 ( 2626 PWs) bands (ev): -68.0089 -68.0089 -40.4680 -40.4680 -36.8128 -36.8128 -32.3520 -32.3520 -32.3214 -32.3214 -17.1322 -17.1322 -16.5121 -16.5121 -16.4135 -16.4135 12.3326 12.3326 12.8894 12.8894 13.0527 13.0527 13.6824 13.6824 14.2423 14.2423 14.4756 14.4756 16.3690 16.3690 16.5305 16.5305 17.6779 17.6779 17.7640 17.7640 18.6877 18.6877 k = 0.1300 0.5000-0.0000 ( 2626 PWs) bands (ev): -68.0089 -68.0089 -40.4677 -40.4677 -36.8131 -36.8131 -32.3523 -32.3523 -32.3218 -32.3218 -17.1327 -17.1327 -16.5126 -16.5126 -16.4147 -16.4147 12.3393 12.3393 12.8748 12.8748 13.0398 13.0398 13.6673 13.6673 14.2099 14.2099 14.5412 14.5412 16.3507 16.3507 16.5737 16.5737 17.7096 17.7096 17.8103 17.8103 18.7028 18.7028 k = 0.1400 0.5000-0.0000 ( 2630 PWs) bands (ev): -68.0088 -68.0088 -40.4673 -40.4673 -36.8134 -36.8134 -32.3526 -32.3526 -32.3223 -32.3223 -17.1332 -17.1332 -16.5131 -16.5131 -16.4160 -16.4160 12.3443 12.3443 12.8441 12.8441 13.0475 13.0475 13.6513 13.6513 14.1744 14.1744 14.6107 14.6107 16.3320 16.3320 16.6198 16.6198 17.7412 17.7412 17.8589 17.8589 18.7188 18.7188 k = 0.1500 0.5000-0.0000 ( 2630 PWs) bands (ev): -68.0088 -68.0088 -40.4669 -40.4669 -36.8137 -36.8137 -32.3528 -32.3528 -32.3228 -32.3228 -17.1338 -17.1338 -16.5137 -16.5137 -16.4172 -16.4172 12.3476 12.3476 12.8036 12.8036 13.0698 13.0698 13.6344 13.6344 14.1371 14.1371 14.6829 14.6829 16.3134 16.3134 16.6681 16.6681 17.7722 17.7722 17.9092 17.9092 18.7356 18.7356 k = 0.1600 0.5000-0.0000 ( 2630 PWs) bands (ev): -68.0087 -68.0087 -40.4665 -40.4665 -36.8140 -36.8140 -32.3532 -32.3532 -32.3233 -32.3233 -17.1344 -17.1344 -16.5144 -16.5144 -16.4185 -16.4185 12.3490 12.3490 12.7586 12.7586 13.1016 13.1016 13.6169 13.6169 14.0989 14.0989 14.7574 14.7574 16.2951 16.2951 16.7183 16.7183 17.8027 17.8027 17.9610 17.9610 18.7530 18.7530 k = 0.1700 0.5000-0.0000 ( 2630 PWs) bands (ev): -68.0086 -68.0086 -40.4661 -40.4661 -36.8143 -36.8143 -32.3535 -32.3535 -32.3238 -32.3238 -17.1350 -17.1350 -16.5151 -16.5151 -16.4197 -16.4197 12.3485 12.3485 12.7117 12.7117 13.1399 13.1399 13.5988 13.5988 14.0601 14.0601 14.8341 14.8341 16.2773 16.2773 16.7699 16.7699 17.8323 17.8323 18.0139 18.0139 18.7709 18.7709 k = 0.1800 0.5000-0.0000 ( 2634 PWs) bands (ev): -68.0086 -68.0086 -40.4656 -40.4656 -36.8146 -36.8146 -32.3539 -32.3539 -32.3243 -32.3243 -17.1356 -17.1356 -16.5159 -16.5159 -16.4210 -16.4210 12.3462 12.3462 12.6643 12.6643 13.1835 13.1835 13.5802 13.5802 14.0211 14.0211 14.9128 14.9128 16.2602 16.2602 16.8229 16.8229 17.8608 17.8608 18.0678 18.0678 18.7894 18.7894 k = 0.1900 0.5000-0.0000 ( 2624 PWs) bands (ev): -68.0085 -68.0085 -40.4652 -40.4652 -36.8149 -36.8149 -32.3543 -32.3543 -32.3248 -32.3248 -17.1363 -17.1363 -16.5168 -16.5168 -16.4222 -16.4222 12.3422 12.3422 12.6170 12.6170 13.2315 13.2315 13.5613 13.5613 13.9824 13.9824 14.9935 14.9935 16.2438 16.2438 16.8768 16.8768 17.8880 17.8880 18.1222 18.1222 18.8083 18.8083 k = 0.2000 0.5000-0.0000 ( 2626 PWs) bands (ev): -68.0084 -68.0084 -40.4647 -40.4647 -36.8152 -36.8152 -32.3547 -32.3547 -32.3253 -32.3253 -17.1370 -17.1370 -16.5178 -16.5178 -16.4233 -16.4233 12.3367 12.3367 12.5700 12.5700 13.2828 13.2828 13.5423 13.5423 13.9444 13.9444 15.0762 15.0762 16.2283 16.2283 16.9315 16.9315 17.9136 17.9136 18.1771 18.1771 18.8275 18.8275 k = 0.2100 0.5000-0.0000 ( 2618 PWs) bands (ev): -68.0084 -68.0084 -40.4642 -40.4642 -36.8155 -36.8155 -32.3551 -32.3551 -32.3258 -32.3258 -17.1377 -17.1377 -16.5188 -16.5188 -16.4245 -16.4245 12.3299 12.3299 12.5238 12.5238 13.3364 13.3364 13.5238 13.5238 13.9077 13.9077 15.1608 15.1608 16.2137 16.2137 16.9867 16.9867 17.9376 17.9376 18.2321 18.2321 18.8470 18.8470 k = 0.2200 0.5000-0.0000 ( 2618 PWs) bands (ev): -68.0083 -68.0083 -40.4637 -40.4637 -36.8159 -36.8159 -32.3556 -32.3556 -32.3262 -32.3262 -17.1385 -17.1385 -16.5199 -16.5199 -16.4256 -16.4256 12.3218 12.3218 12.4785 12.4785 13.3897 13.3897 13.5072 13.5072 13.8730 13.8730 15.2473 15.2473 16.2001 16.2001 17.0422 17.0422 17.9595 17.9595 18.2870 18.2870 18.8666 18.8666 k = 0.2300 0.5000-0.0000 ( 2622 PWs) bands (ev): -68.0082 -68.0082 -40.4632 -40.4632 -36.8163 -36.8163 -32.3561 -32.3561 -32.3267 -32.3267 -17.1393 -17.1393 -16.5210 -16.5210 -16.4266 -16.4266 12.3126 12.3126 12.4342 12.4342 13.4335 13.4335 13.5002 13.5002 13.8419 13.8419 15.3356 15.3356 16.1875 16.1875 17.0978 17.0978 17.9793 17.9793 18.3417 18.3417 18.8864 18.8864 k = 0.2400 0.5000-0.0000 ( 2610 PWs) bands (ev): -68.0081 -68.0081 -40.4627 -40.4627 -36.8166 -36.8166 -32.3566 -32.3566 -32.3271 -32.3271 -17.1401 -17.1401 -16.5222 -16.5222 -16.4276 -16.4276 12.3024 12.3024 12.3911 12.3911 13.4423 13.4423 13.5253 13.5253 13.8175 13.8175 15.4255 15.4255 16.1760 16.1760 17.1532 17.1532 17.9967 17.9967 18.3960 18.3960 18.9061 18.9061 k = 0.2500 0.5000-0.0000 ( 2610 PWs) bands (ev): -68.0081 -68.0081 -40.4622 -40.4622 -36.8169 -36.8169 -32.3571 -32.3571 -32.3276 -32.3276 -17.1410 -17.1410 -16.5235 -16.5235 -16.4284 -16.4284 12.2909 12.2909 12.3498 12.3498 13.4287 13.4287 13.5634 13.5634 13.8061 13.8061 15.5171 15.5171 16.1656 16.1656 17.2083 17.2083 18.0115 18.0115 18.4496 18.4496 18.9258 18.9258 k = 0.2600 0.5000-0.0000 ( 2614 PWs) bands (ev): -68.0080 -68.0080 -40.4617 -40.4617 -36.8173 -36.8173 -32.3577 -32.3577 -32.3280 -32.3280 -17.1418 -17.1418 -16.5248 -16.5248 -16.4293 -16.4293 12.2770 12.2770 12.3115 12.3115 13.4104 13.4104 13.5867 13.5867 13.8175 13.8175 15.6102 15.6102 16.1565 16.1565 17.2628 17.2628 18.0235 18.0235 18.5024 18.5024 18.9454 18.9454 k = 0.2700 0.5000-0.0000 ( 2614 PWs) bands (ev): -68.0079 -68.0079 -40.4612 -40.4612 -36.8177 -36.8177 -32.3583 -32.3583 -32.3284 -32.3284 -17.1427 -17.1427 -16.5262 -16.5262 -16.4300 -16.4300 12.2552 12.2552 12.2820 12.2820 13.3911 13.3911 13.5876 13.5876 13.8558 13.8558 15.7046 15.7046 16.1487 16.1487 17.3165 17.3165 18.0325 18.0325 18.5543 18.5543 18.9647 18.9647 k = 0.2800 0.5000-0.0000 ( 2612 PWs) bands (ev): -68.0079 -68.0079 -40.4608 -40.4608 -36.8180 -36.8180 -32.3589 -32.3589 -32.3288 -32.3288 -17.1435 -17.1435 -16.5276 -16.5276 -16.4307 -16.4307 12.2224 12.2224 12.2646 12.2646 13.3714 13.3714 13.5726 13.5726 13.9134 13.9134 15.8002 15.8002 16.1423 16.1423 17.3692 17.3692 18.0384 18.0384 18.6051 18.6051 18.9838 18.9838 k = 0.2900 0.5000-0.0000 ( 2612 PWs) bands (ev): -68.0078 -68.0078 -40.4603 -40.4603 -36.8184 -36.8184 -32.3595 -32.3595 -32.3291 -32.3291 -17.1444 -17.1444 -16.5290 -16.5290 -16.4313 -16.4313 12.1869 12.1869 12.2510 12.2510 13.3518 13.3518 13.5501 13.5501 13.9817 13.9817 15.8966 15.8966 16.1375 16.1375 17.4208 17.4208 18.0409 18.0409 18.6546 18.6546 19.0025 19.0025 k = 0.3000 0.5000-0.0000 ( 2616 PWs) bands (ev): -68.0077 -68.0077 -40.4598 -40.4598 -36.8187 -36.8187 -32.3601 -32.3601 -32.3295 -32.3295 -17.1453 -17.1453 -16.5304 -16.5304 -16.4319 -16.4319 12.1519 12.1519 12.2384 12.2384 13.3322 13.3322 13.5246 13.5246 14.0557 14.0557 15.9929 15.9929 16.1352 16.1352 17.4710 17.4710 18.0400 18.0400 18.7027 18.7027 19.0208 19.0208 k = 0.3100 0.5000-0.0000 ( 2612 PWs) bands (ev): -68.0077 -68.0077 -40.4593 -40.4593 -36.8191 -36.8191 -32.3607 -32.3607 -32.3298 -32.3298 -17.1462 -17.1462 -16.5319 -16.5319 -16.4324 -16.4324 12.1180 12.1180 12.2261 12.2261 13.3130 13.3130 13.4980 13.4980 14.1330 14.1330 16.0833 16.0833 16.1411 16.1411 17.5196 17.5196 18.0356 18.0356 18.7493 18.7493 19.0386 19.0386 k = 0.3200 0.5000-0.0000 ( 2620 PWs) bands (ev): -68.0076 -68.0076 -40.4589 -40.4589 -36.8194 -36.8194 -32.3614 -32.3614 -32.3301 -32.3301 -17.1470 -17.1470 -16.5333 -16.5333 -16.4328 -16.4328 12.0854 12.0854 12.2141 12.2141 13.2941 13.2941 13.4716 13.4716 14.2122 14.2122 16.1201 16.1201 16.2028 16.2028 17.5664 17.5664 18.0275 18.0275 18.7942 18.7942 19.0559 19.0559 k = 0.3300 0.5000-0.0000 ( 2620 PWs) bands (ev): -68.0075 -68.0075 -40.4584 -40.4584 -36.8198 -36.8198 -32.3620 -32.3620 -32.3303 -32.3303 -17.1479 -17.1479 -16.5347 -16.5347 -16.4332 -16.4332 12.0544 12.0544 12.2023 12.2023 13.2756 13.2756 13.4458 13.4458 14.2924 14.2924 16.1251 16.1251 16.2982 16.2982 17.6113 17.6113 18.0158 18.0158 18.8373 18.8373 19.0726 19.0726 k = 0.3400 0.5000-0.0000 ( 2620 PWs) bands (ev): -68.0075 -68.0075 -40.4580 -40.4580 -36.8201 -36.8201 -32.3626 -32.3626 -32.3306 -32.3306 -17.1487 -17.1487 -16.5361 -16.5361 -16.4335 -16.4335 12.0249 12.0249 12.1909 12.1909 13.2576 13.2576 13.4210 13.4210 14.3728 14.3728 16.1288 16.1288 16.3967 16.3967 17.6540 17.6540 18.0004 18.0004 18.8786 18.8786 19.0887 19.0887 k = 0.3500 0.5000-0.0000 ( 2620 PWs) bands (ev): -68.0074 -68.0074 -40.4576 -40.4576 -36.8204 -36.8204 -32.3632 -32.3632 -32.3308 -32.3308 -17.1496 -17.1496 -16.5375 -16.5375 -16.4338 -16.4338 11.9970 11.9970 12.1799 12.1799 13.2402 13.2402 13.3975 13.3975 14.4527 14.4527 16.1339 16.1339 16.4956 16.4956 17.6942 17.6942 17.9816 17.9816 18.9178 18.9178 19.1042 19.1042 k = 0.3600 0.5000-0.0000 ( 2620 PWs) bands (ev): -68.0073 -68.0073 -40.4572 -40.4572 -36.8207 -36.8207 -32.3638 -32.3638 -32.3310 -32.3310 -17.1504 -17.1504 -16.5388 -16.5388 -16.4340 -16.4340 11.9707 11.9707 12.1693 12.1693 13.2234 13.2234 13.3753 13.3753 14.5314 14.5314 16.1407 16.1407 16.5941 16.5941 17.7315 17.7315 17.9597 17.9597 18.9550 18.9550 19.1189 19.1189 k = 0.3700 0.5000-0.0000 ( 2624 PWs) bands (ev): -68.0073 -68.0073 -40.4568 -40.4568 -36.8209 -36.8209 -32.3643 -32.3643 -32.3312 -32.3312 -17.1511 -17.1511 -16.5401 -16.5401 -16.4342 -16.4342 11.9461 11.9461 12.1591 12.1591 13.2073 13.2073 13.3546 13.3546 14.6083 14.6083 16.1497 16.1497 16.6916 16.6916 17.7655 17.7655 17.9351 17.9351 18.9899 18.9899 19.1328 19.1328 k = 0.3800 0.5000-0.0000 ( 2628 PWs) bands (ev): -68.0072 -68.0072 -40.4564 -40.4564 -36.8212 -36.8212 -32.3649 -32.3649 -32.3314 -32.3314 -17.1518 -17.1518 -16.5413 -16.5413 -16.4344 -16.4344 11.9233 11.9233 12.1495 12.1495 13.1920 13.1920 13.3354 13.3354 14.6826 14.6826 16.1609 16.1609 16.7877 16.7877 17.7947 17.7947 17.9095 17.9095 19.0225 19.0225 19.1460 19.1460 k = 0.3900 0.5000-0.0000 ( 2632 PWs) bands (ev): -68.0072 -68.0072 -40.4561 -40.4561 -36.8215 -36.8215 -32.3654 -32.3654 -32.3316 -32.3316 -17.1525 -17.1525 -16.5424 -16.5424 -16.4345 -16.4345 11.9021 11.9021 12.1405 12.1405 13.1776 13.1776 13.3178 13.3178 14.7537 14.7537 16.1744 16.1744 16.8817 16.8817 17.8144 17.8144 17.8876 17.8876 19.0526 19.0526 19.1583 19.1583 k = 0.4000 0.5000-0.0000 ( 2632 PWs) bands (ev): -68.0072 -68.0072 -40.4558 -40.4558 -36.8217 -36.8217 -32.3658 -32.3658 -32.3317 -32.3317 -17.1532 -17.1532 -16.5435 -16.5435 -16.4346 -16.4346 11.8828 11.8828 12.1322 12.1322 13.1641 13.1641 13.3017 13.3017 14.8209 14.8209 16.1904 16.1904 16.9731 16.9731 17.8113 17.8113 17.8833 17.8833 19.0802 19.0802 19.1699 19.1699 k = 0.4100 0.5000-0.0000 ( 2636 PWs) bands (ev): -68.0071 -68.0071 -40.4555 -40.4555 -36.8219 -36.8219 -32.3663 -32.3663 -32.3318 -32.3318 -17.1538 -17.1538 -16.5445 -16.5445 -16.4347 -16.4347 11.8652 11.8652 12.1245 12.1245 13.1517 13.1517 13.2872 13.2872 14.8835 14.8835 16.2086 16.2086 17.0611 17.0611 17.7862 17.7862 17.8961 17.8961 19.1052 19.1052 19.1807 19.1807 k = 0.4200 0.5000-0.0000 ( 2632 PWs) bands (ev): -68.0071 -68.0071 -40.4553 -40.4553 -36.8221 -36.8221 -32.3667 -32.3667 -32.3319 -32.3319 -17.1543 -17.1543 -16.5454 -16.5454 -16.4348 -16.4348 11.8494 11.8494 12.1175 12.1175 13.1403 13.1403 13.2743 13.2743 14.9409 14.9409 16.2288 16.2288 17.1447 17.1447 17.7539 17.7539 17.9121 17.9121 19.1274 19.1274 19.1907 19.1907 k = 0.4300 0.5000-0.0000 ( 2630 PWs) bands (ev): -68.0070 -68.0070 -40.4550 -40.4550 -36.8222 -36.8222 -32.3670 -32.3670 -32.3320 -32.3320 -17.1548 -17.1548 -16.5462 -16.5462 -16.4348 -16.4348 11.8354 11.8354 12.1112 12.1112 13.1301 13.1301 13.2630 13.2630 14.9924 14.9924 16.2506 16.2506 17.2228 17.2228 17.7203 17.7203 17.9264 17.9264 19.1467 19.1467 19.2000 19.2000 k = 0.4400 0.5000-0.0000 ( 2632 PWs) bands (ev): -68.0070 -68.0070 -40.4548 -40.4548 -36.8224 -36.8224 -32.3673 -32.3673 -32.3321 -32.3321 -17.1553 -17.1553 -16.5469 -16.5469 -16.4349 -16.4349 11.8233 11.8233 12.1057 12.1057 13.1211 13.1211 13.2532 13.2532 15.0376 15.0376 16.2733 16.2733 17.2937 17.2937 17.6883 17.6883 17.9377 17.9377 19.1630 19.1630 19.2087 19.2087 k = 0.4500 0.5000-0.0000 ( 2634 PWs) bands (ev): -68.0070 -68.0070 -40.4547 -40.4547 -36.8225 -36.8225 -32.3676 -32.3676 -32.3321 -32.3321 -17.1556 -17.1556 -16.5475 -16.5475 -16.4349 -16.4349 11.8130 11.8130 12.1011 12.1011 13.1134 13.1134 13.2449 13.2449 15.0763 15.0763 16.2960 16.2960 17.3552 17.3552 17.6604 17.6604 17.9457 17.9457 19.1763 19.1763 19.2166 19.2166 k = 0.4600 0.5000-0.0000 ( 2638 PWs) bands (ev): -68.0070 -68.0070 -40.4545 -40.4545 -36.8226 -36.8226 -32.3679 -32.3679 -32.3322 -32.3322 -17.1559 -17.1559 -16.5480 -16.5480 -16.4349 -16.4349 11.8046 11.8046 12.0972 12.0972 13.1070 13.1070 13.2381 13.2381 15.1080 15.1080 16.3174 16.3174 17.4044 17.4044 17.6399 17.6399 17.9504 17.9504 19.1865 19.1865 19.2237 19.2237 k = 0.4700 0.5000-0.0000 ( 2640 PWs) bands (ev): -68.0070 -68.0070 -40.4544 -40.4544 -36.8227 -36.8227 -32.3681 -32.3681 -32.3322 -32.3322 -17.1562 -17.1562 -16.5484 -16.5484 -16.4349 -16.4349 11.7980 11.7980 12.0942 12.0942 13.1020 13.1020 13.2329 13.2329 15.1327 15.1327 16.3361 16.3361 17.4378 17.4378 17.6297 17.6297 17.9523 17.9523 19.1939 19.1939 19.2297 19.2297 k = 0.4800 0.5000-0.0000 ( 2628 PWs) bands (ev): -68.0069 -68.0069 -40.4543 -40.4543 -36.8227 -36.8227 -32.3681 -32.3681 -32.3322 -32.3322 -17.1563 -17.1563 -16.5486 -16.5486 -16.4349 -16.4349 11.7933 11.7933 12.0920 12.0920 13.0984 13.0984 13.2292 13.2292 15.1504 15.1504 16.3509 16.3509 17.4552 17.4552 17.6300 17.6300 17.9524 17.9524 19.1989 19.1989 19.2343 19.2343 k = 0.4900 0.5000-0.0000 ( 2624 PWs) bands (ev): -68.0069 -68.0069 -40.4543 -40.4543 -36.8227 -36.8227 -32.3682 -32.3682 -32.3322 -32.3322 -17.1565 -17.1565 -16.5488 -16.5488 -16.4349 -16.4349 11.7905 11.7905 12.0907 12.0907 13.0963 13.0963 13.2269 13.2269 15.1610 15.1610 16.3603 16.3603 17.4614 17.4614 17.6349 17.6349 17.9517 17.9517 19.2017 19.2017 19.2372 19.2372 k = 0.5000 0.5000-0.0000 ( 2624 PWs) bands (ev): -68.0069 -68.0069 -40.4543 -40.4543 -36.8228 -36.8228 -32.3682 -32.3682 -32.3322 -32.3322 -17.1565 -17.1565 -16.5489 -16.5489 -16.4349 -16.4349 11.7896 11.7896 12.0903 12.0903 13.0955 13.0955 13.2262 13.2262 15.1645 15.1645 16.3635 16.3635 17.4626 17.4626 17.6375 17.6375 17.9513 17.9513 19.2026 19.2026 19.2382 19.2382 k = 0.5000 0.5000-0.0000 ( 2624 PWs) bands (ev): -68.0069 -68.0069 -40.4543 -40.4543 -36.8228 -36.8228 -32.3682 -32.3682 -32.3322 -32.3322 -17.1565 -17.1565 -16.5489 -16.5489 -16.4349 -16.4349 11.7896 11.7896 12.0903 12.0903 13.0955 13.0955 13.2262 13.2262 15.1645 15.1645 16.3635 16.3635 17.4626 17.4626 17.6375 17.6375 17.9513 17.9513 19.2026 19.2026 19.2382 19.2382 k = 0.4929 0.4929-0.0000 ( 2624 PWs) bands (ev): -68.0069 -68.0069 -40.4543 -40.4543 -36.8227 -36.8227 -32.3682 -32.3682 -32.3322 -32.3322 -17.1565 -17.1565 -16.5488 -16.5488 -16.4349 -16.4349 11.7905 11.7905 12.0907 12.0907 13.0963 13.0963 13.2270 13.2270 15.1609 15.1609 16.3602 16.3602 17.4615 17.4615 17.6347 17.6347 17.9517 17.9517 19.2017 19.2017 19.2372 19.2372 k = 0.4857 0.4857-0.0000 ( 2628 PWs) bands (ev): -68.0069 -68.0069 -40.4543 -40.4543 -36.8227 -36.8227 -32.3681 -32.3681 -32.3322 -32.3322 -17.1563 -17.1563 -16.5486 -16.5486 -16.4349 -16.4349 11.7934 11.7934 12.0921 12.0921 13.0985 13.0985 13.2292 13.2292 15.1502 15.1502 16.3501 16.3501 17.4579 17.4579 17.6270 17.6270 17.9527 17.9527 19.1985 19.1985 19.2345 19.2345 k = 0.4786 0.4786-0.0000 ( 2640 PWs) bands (ev): -68.0070 -68.0070 -40.4544 -40.4544 -36.8227 -36.8227 -32.3680 -32.3680 -32.3322 -32.3322 -17.1562 -17.1562 -16.5484 -16.5484 -16.4349 -16.4349 11.7981 11.7981 12.0943 12.0943 13.1021 13.1021 13.2331 13.2331 15.1325 15.1325 16.3331 16.3331 17.4505 17.4505 17.6167 17.6167 17.9536 17.9536 19.1924 19.1924 19.2309 19.2309 k = 0.4714 0.4714-0.0000 ( 2640 PWs) bands (ev): -68.0070 -68.0070 -40.4545 -40.4545 -36.8226 -36.8226 -32.3679 -32.3679 -32.3322 -32.3322 -17.1559 -17.1559 -16.5480 -16.5480 -16.4349 -16.4349 11.8047 11.8047 12.0974 12.0974 13.1071 13.1071 13.2385 13.2385 15.1082 15.1082 16.3090 16.3090 17.4378 17.4378 17.6068 17.6068 17.9535 17.9535 19.1823 19.1823 19.2274 19.2274 k = 0.4643 0.4643-0.0000 ( 2636 PWs) bands (ev): -68.0070 -68.0070 -40.4547 -40.4547 -36.8225 -36.8225 -32.3676 -32.3676 -32.3321 -32.3321 -17.1556 -17.1556 -16.5474 -16.5474 -16.4349 -16.4349 11.8130 11.8130 12.1014 12.1014 13.1135 13.1135 13.2455 13.2455 15.0775 15.0775 16.2774 16.2774 17.4187 17.4187 17.5997 17.5997 17.9518 17.9518 19.1678 19.1678 19.2245 19.2245 k = 0.4571 0.4571-0.0000 ( 2628 PWs) bands (ev): -68.0070 -68.0070 -40.4548 -40.4548 -36.8224 -36.8224 -32.3673 -32.3673 -32.3321 -32.3321 -17.1552 -17.1552 -16.5468 -16.5468 -16.4349 -16.4349 11.8230 11.8230 12.1062 12.1062 13.1211 13.1211 13.2542 13.2542 15.0411 15.0411 16.2380 16.2380 17.3934 17.3934 17.5966 17.5966 17.9478 17.9478 19.1490 19.1490 19.2222 19.2222 k = 0.4500 0.4500-0.0000 ( 2624 PWs) bands (ev): -68.0070 -68.0070 -40.4551 -40.4551 -36.8222 -36.8222 -32.3669 -32.3669 -32.3320 -32.3320 -17.1547 -17.1547 -16.5461 -16.5461 -16.4349 -16.4349 11.8346 11.8346 12.1120 12.1120 13.1298 13.1298 13.2646 13.2646 14.9992 14.9992 16.1907 16.1907 17.3638 17.3638 17.5970 17.5970 17.9414 17.9414 19.1263 19.1263 19.2203 19.2203 k = 0.4429 0.4429-0.0000 ( 2624 PWs) bands (ev): -68.0071 -68.0071 -40.4553 -40.4553 -36.8220 -36.8220 -32.3666 -32.3666 -32.3319 -32.3319 -17.1542 -17.1542 -16.5452 -16.5452 -16.4348 -16.4348 11.8475 11.8475 12.1186 12.1186 13.1396 13.1396 13.2768 13.2768 14.9525 14.9525 16.1351 16.1351 17.3316 17.3316 17.6000 17.6000 17.9323 17.9323 19.1000 19.1000 19.2185 19.2185 k = 0.4357 0.4357-0.0000 ( 2624 PWs) bands (ev): -68.0071 -68.0071 -40.4556 -40.4556 -36.8218 -36.8218 -32.3661 -32.3661 -32.3318 -32.3318 -17.1536 -17.1536 -16.5443 -16.5443 -16.4348 -16.4348 11.8616 11.8616 12.1262 12.1262 13.1503 13.1503 13.2907 13.2907 14.9015 14.9015 16.0714 16.0714 17.2989 17.2989 17.6045 17.6045 17.9205 17.9205 19.0704 19.0704 19.2169 19.2169 k = 0.4286 0.4286-0.0000 ( 2626 PWs) bands (ev): -68.0072 -68.0072 -40.4558 -40.4558 -36.8216 -36.8216 -32.3657 -32.3657 -32.3317 -32.3317 -17.1529 -17.1529 -16.5432 -16.5432 -16.4347 -16.4347 11.8768 11.8768 12.1347 12.1347 13.1618 13.1618 13.3065 13.3065 14.8466 14.8466 15.9998 15.9998 17.2671 17.2671 17.6098 17.6098 17.9062 17.9062 19.0377 19.0377 19.2152 19.2152 k = 0.4214 0.4214-0.0000 ( 2626 PWs) bands (ev): -68.0072 -68.0072 -40.4562 -40.4562 -36.8214 -36.8214 -32.3652 -32.3652 -32.3316 -32.3316 -17.1522 -17.1522 -16.5420 -16.5420 -16.4347 -16.4347 11.8926 11.8926 12.1443 12.1443 13.1741 13.1741 13.3242 13.3242 14.7883 14.7883 15.9205 15.9205 17.2370 17.2370 17.6152 17.6152 17.8896 17.8896 19.0023 19.0023 19.2136 19.2136 k = 0.4143 0.4143-0.0000 ( 2614 PWs) bands (ev): -68.0073 -68.0073 -40.4565 -40.4565 -36.8211 -36.8211 -32.3646 -32.3646 -32.3314 -32.3314 -17.1514 -17.1514 -16.5407 -16.5407 -16.4346 -16.4346 11.9087 11.9087 12.1550 12.1550 13.1870 13.1870 13.3436 13.3436 14.7272 14.7272 15.8344 15.8344 17.2092 17.2092 17.6203 17.6203 17.8709 17.8709 18.9644 18.9644 19.2119 19.2119 k = 0.4071 0.4071-0.0000 ( 2614 PWs) bands (ev): -68.0073 -68.0073 -40.4569 -40.4569 -36.8208 -36.8208 -32.3640 -32.3640 -32.3313 -32.3313 -17.1505 -17.1505 -16.5393 -16.5393 -16.4346 -16.4346 11.9249 11.9249 12.1669 12.1669 13.2006 13.2006 13.3649 13.3649 14.6636 14.6636 15.7421 15.7421 17.1843 17.1843 17.6248 17.6248 17.8503 17.8503 18.9243 18.9243 19.2101 19.2101 k = 0.4000 0.4000-0.0000 ( 2616 PWs) bands (ev): -68.0074 -68.0074 -40.4573 -40.4573 -36.8206 -36.8206 -32.3634 -32.3634 -32.3311 -32.3311 -17.1496 -17.1496 -16.5378 -16.5378 -16.4345 -16.4345 11.9406 11.9406 12.1802 12.1802 13.2147 13.2147 13.3879 13.3879 14.5980 14.5980 15.6445 15.6445 17.1622 17.1622 17.6285 17.6285 17.8283 17.8283 18.8821 18.8821 19.2083 19.2083 k = 0.3929 0.3929-0.0000 ( 2616 PWs) bands (ev): -68.0074 -68.0074 -40.4577 -40.4577 -36.8203 -36.8203 -32.3627 -32.3627 -32.3310 -32.3310 -17.1486 -17.1486 -16.5362 -16.5362 -16.4344 -16.4344 11.9554 11.9554 12.1950 12.1950 13.2293 13.2293 13.4124 13.4124 14.5307 14.5307 15.5425 15.5425 17.1430 17.1430 17.6312 17.6312 17.8052 17.8052 18.8383 18.8383 19.2065 19.2065 k = 0.3857 0.3857-0.0000 ( 2616 PWs) bands (ev): -68.0075 -68.0075 -40.4581 -40.4581 -36.8199 -36.8199 -32.3620 -32.3620 -32.3308 -32.3308 -17.1475 -17.1475 -16.5345 -16.5345 -16.4343 -16.4343 11.9688 11.9688 12.2115 12.2115 13.2445 13.2445 13.4384 13.4384 14.4621 14.4621 15.4372 15.4372 17.1266 17.1266 17.6326 17.6326 17.7813 17.7813 18.7930 18.7930 19.2046 19.2046 k = 0.3786 0.3786-0.0000 ( 2624 PWs) bands (ev): -68.0076 -68.0076 -40.4586 -40.4586 -36.8196 -36.8196 -32.3613 -32.3613 -32.3307 -32.3307 -17.1464 -17.1464 -16.5327 -16.5327 -16.4341 -16.4341 11.9804 11.9804 12.2298 12.2298 13.2601 13.2601 13.4657 13.4657 14.3925 14.3925 15.3294 15.3294 17.1131 17.1131 17.6325 17.6325 17.7574 17.7574 18.7466 18.7466 19.2026 19.2026 k = 0.3714 0.3714-0.0000 ( 2624 PWs) bands (ev): -68.0076 -68.0076 -40.4591 -40.4591 -36.8193 -36.8193 -32.3605 -32.3605 -32.3305 -32.3305 -17.1452 -17.1452 -16.5308 -16.5308 -16.4340 -16.4340 11.9896 11.9896 12.2497 12.2497 13.2762 13.2762 13.4941 13.4941 14.3222 14.3222 15.2201 15.2201 17.1022 17.1022 17.6303 17.6303 17.7340 17.7340 18.6994 18.6994 19.2006 19.2006 k = 0.3643 0.3643-0.0000 ( 2620 PWs) bands (ev): -68.0077 -68.0077 -40.4596 -40.4596 -36.8189 -36.8189 -32.3597 -32.3597 -32.3303 -32.3303 -17.1440 -17.1440 -16.5288 -16.5288 -16.4339 -16.4339 11.9963 11.9963 12.2713 12.2713 13.2927 13.2927 13.5232 13.5232 14.2517 14.2517 15.1103 15.1103 17.0940 17.0940 17.6253 17.6253 17.7123 17.7123 18.6516 18.6516 19.1986 19.1986 k = 0.3571 0.3571-0.0000 ( 2622 PWs) bands (ev): -68.0078 -68.0078 -40.4601 -40.4601 -36.8186 -36.8186 -32.3588 -32.3588 -32.3301 -32.3301 -17.1427 -17.1427 -16.5267 -16.5267 -16.4337 -16.4337 12.0000 12.0000 12.2942 12.2942 13.3097 13.3097 13.5527 13.5527 14.1813 14.1813 15.0008 15.0008 17.0884 17.0884 17.6164 17.6164 17.6938 17.6938 18.6035 18.6035 19.1966 19.1966 k = 0.3500 0.3500-0.0000 ( 2622 PWs) bands (ev): -68.0079 -68.0079 -40.4606 -40.4606 -36.8182 -36.8182 -32.3580 -32.3580 -32.3300 -32.3300 -17.1414 -17.1414 -16.5245 -16.5245 -16.4335 -16.4335 12.0006 12.0006 12.3182 12.3182 13.3271 13.3271 13.5820 13.5820 14.1116 14.1116 14.8926 14.8926 17.0854 17.0854 17.6028 17.6028 17.6795 17.6795 18.5555 18.5555 19.1946 19.1946 k = 0.3429 0.3429-0.0000 ( 2624 PWs) bands (ev): -68.0080 -68.0080 -40.4612 -40.4612 -36.8178 -36.8178 -32.3571 -32.3571 -32.3298 -32.3298 -17.1400 -17.1400 -16.5222 -16.5222 -16.4333 -16.4333 11.9978 11.9978 12.3429 12.3429 13.3449 13.3449 13.6103 13.6103 14.0435 14.0435 14.7865 14.7865 17.0849 17.0849 17.5849 17.5849 17.6693 17.6693 18.5078 18.5078 19.1926 19.1926 k = 0.3357 0.3357-0.0000 ( 2620 PWs) bands (ev): -68.0081 -68.0081 -40.4617 -40.4617 -36.8174 -36.8174 -32.3562 -32.3562 -32.3296 -32.3296 -17.1385 -17.1385 -16.5199 -16.5199 -16.4331 -16.4331 11.9914 11.9914 12.3680 12.3680 13.3630 13.3630 13.6359 13.6359 13.9785 13.9785 14.6835 14.6835 17.0869 17.0869 17.5643 17.5643 17.6619 17.6619 18.4608 18.4608 19.1905 19.1905 k = 0.3286 0.3286-0.0000 ( 2622 PWs) bands (ev): -68.0081 -68.0081 -40.4623 -40.4623 -36.8170 -36.8170 -32.3552 -32.3552 -32.3294 -32.3294 -17.1370 -17.1370 -16.5174 -16.5174 -16.4328 -16.4328 11.9813 11.9813 12.3928 12.3928 13.3814 13.3814 13.6553 13.6553 13.9200 13.9200 14.5844 14.5844 17.0915 17.0915 17.5427 17.5427 17.6560 17.6560 18.4148 18.4148 19.1886 19.1886 k = 0.3214 0.3214-0.0000 ( 2622 PWs) bands (ev): -68.0082 -68.0082 -40.4629 -40.4629 -36.8166 -36.8166 -32.3543 -32.3543 -32.3292 -32.3292 -17.1355 -17.1355 -16.5149 -16.5149 -16.4325 -16.4325 11.9671 11.9671 12.4171 12.4171 13.3999 13.3999 13.6617 13.6617 13.8748 13.8748 14.4903 14.4903 17.0986 17.0986 17.5210 17.5210 17.6509 17.6509 18.3702 18.3702 19.1866 19.1866 k = 0.3143 0.3143-0.0000 ( 2626 PWs) bands (ev): -68.0083 -68.0083 -40.4635 -40.4635 -36.8162 -36.8162 -32.3533 -32.3533 -32.3290 -32.3290 -17.1339 -17.1339 -16.5123 -16.5123 -16.4323 -16.4323 11.9488 11.9488 12.4403 12.4403 13.4182 13.4182 13.6454 13.6454 13.8523 13.8523 14.4022 14.4022 17.1081 17.1081 17.5002 17.5002 17.6461 17.6461 18.3271 18.3271 19.1847 19.1847 k = 0.3071 0.3071-0.0000 ( 2632 PWs) bands (ev): -68.0084 -68.0084 -40.4641 -40.4641 -36.8158 -36.8158 -32.3524 -32.3524 -32.3288 -32.3288 -17.1322 -17.1322 -16.5097 -16.5097 -16.4320 -16.4320 11.9259 11.9259 12.4620 12.4620 13.4356 13.4356 13.6065 13.6065 13.8525 13.8525 14.3214 14.3214 17.1200 17.1200 17.4807 17.4807 17.6415 17.6415 18.2860 18.2860 19.1829 19.1829 k = 0.3000 0.3000-0.0000 ( 2632 PWs) bands (ev): -68.0085 -68.0085 -40.4647 -40.4647 -36.8153 -36.8153 -32.3514 -32.3514 -32.3286 -32.3286 -17.1306 -17.1306 -16.5070 -16.5070 -16.4316 -16.4316 11.8984 11.8984 12.4817 12.4817 13.4493 13.4493 13.5578 13.5578 13.8645 13.8645 14.2494 14.2494 17.1341 17.1341 17.4631 17.4631 17.6369 17.6369 18.2471 18.2471 19.1811 19.1811 k = 0.2929 0.2929-0.0000 ( 2640 PWs) bands (ev): -68.0086 -68.0086 -40.4653 -40.4653 -36.8150 -36.8150 -32.3504 -32.3504 -32.3284 -32.3284 -17.1289 -17.1289 -16.5042 -16.5042 -16.4313 -16.4313 11.8661 11.8661 12.4989 12.4989 13.4452 13.4452 13.5211 13.5211 13.8788 13.8788 14.1887 14.1887 17.1500 17.1500 17.4480 17.4480 17.6323 17.6323 18.2108 18.2108 19.1794 19.1794 k = 0.2857 0.2857-0.0000 ( 2642 PWs) bands (ev): -68.0087 -68.0087 -40.4659 -40.4659 -36.8145 -36.8145 -32.3494 -32.3494 -32.3282 -32.3282 -17.1271 -17.1271 -16.5014 -16.5014 -16.4309 -16.4309 11.8288 11.8288 12.5134 12.5134 13.4033 13.4033 13.5201 13.5201 13.8887 13.8887 14.1424 14.1424 17.1673 17.1673 17.4362 17.4362 17.6277 17.6277 18.1774 18.1774 19.1778 19.1778 k = 0.2786 0.2786-0.0000 ( 2642 PWs) bands (ev): -68.0088 -68.0088 -40.4665 -40.4665 -36.8141 -36.8141 -32.3484 -32.3484 -32.3280 -32.3280 -17.1254 -17.1254 -16.4985 -16.4985 -16.4305 -16.4305 11.7866 11.7866 12.5246 12.5246 13.3450 13.3450 13.5351 13.5351 13.8889 13.8889 14.1143 14.1143 17.1851 17.1851 17.4287 17.4287 17.6231 17.6231 18.1471 18.1471 19.1763 19.1763 k = 0.2714 0.2714-0.0000 ( 2638 PWs) bands (ev): -68.0089 -68.0089 -40.4671 -40.4671 -36.8137 -36.8137 -32.3474 -32.3474 -32.3278 -32.3278 -17.1236 -17.1236 -16.4956 -16.4956 -16.4301 -16.4301 11.7394 11.7394 12.5325 12.5325 13.2833 13.2833 13.5539 13.5539 13.8779 13.8779 14.1052 14.1052 17.2022 17.2022 17.4266 17.4266 17.6185 17.6185 18.1202 18.1202 19.1749 19.1749 k = 0.2643 0.2643-0.0000 ( 2638 PWs) bands (ev): -68.0090 -68.0090 -40.4677 -40.4677 -36.8132 -36.8132 -32.3464 -32.3464 -32.3275 -32.3275 -17.1218 -17.1218 -16.4926 -16.4926 -16.4296 -16.4296 11.6875 11.6875 12.5367 12.5367 13.2212 13.2212 13.5739 13.5739 13.8596 13.8596 14.1106 14.1106 17.2173 17.2173 17.4316 17.4316 17.6140 17.6140 18.0971 18.0971 19.1736 19.1736 k = 0.2571 0.2571-0.0000 ( 2638 PWs) bands (ev): -68.0091 -68.0091 -40.4683 -40.4683 -36.8128 -36.8128 -32.3454 -32.3454 -32.3273 -32.3273 -17.1199 -17.1199 -16.4896 -16.4896 -16.4292 -16.4292 11.6310 11.6310 12.5374 12.5374 13.1597 13.1597 13.5945 13.5945 13.8396 13.8396 14.1244 14.1244 17.2292 17.2292 17.4449 17.4449 17.6096 17.6096 18.0780 18.0780 19.1724 19.1724 k = 0.2500 0.2500-0.0000 ( 2644 PWs) bands (ev): -68.0092 -68.0092 -40.4689 -40.4689 -36.8124 -36.8124 -32.3444 -32.3444 -32.3272 -32.3272 -17.1181 -17.1181 -16.4866 -16.4866 -16.4287 -16.4287 11.5704 11.5704 12.5344 12.5344 13.0991 13.0991 13.6153 13.6153 13.8218 13.8218 14.1420 14.1420 17.2374 17.2374 17.4667 17.4667 17.6053 17.6053 18.0630 18.0630 19.1713 19.1713 k = 0.2429 0.2429-0.0000 ( 2644 PWs) bands (ev): -68.0093 -68.0093 -40.4695 -40.4695 -36.8120 -36.8120 -32.3434 -32.3434 -32.3269 -32.3269 -17.1162 -17.1162 -16.4835 -16.4835 -16.4282 -16.4282 11.5061 11.5061 12.5281 12.5281 13.0397 13.0397 13.6360 13.6360 13.8079 13.8079 14.1610 14.1610 17.2424 17.2424 17.4963 17.4963 17.6015 17.6015 18.0524 18.0524 19.1704 19.1704 k = 0.2357 0.2357-0.0000 ( 2640 PWs) bands (ev): -68.0094 -68.0094 -40.4701 -40.4701 -36.8116 -36.8116 -32.3424 -32.3424 -32.3267 -32.3267 -17.1144 -17.1144 -16.4804 -16.4804 -16.4276 -16.4276 11.4386 11.4386 12.5186 12.5186 12.9816 12.9816 13.6565 13.6565 13.7987 13.7987 14.1799 14.1799 17.2455 17.2455 17.5320 17.5320 17.5986 17.5986 18.0464 18.0464 19.1696 19.1696 k = 0.2286 0.2286-0.0000 ( 2634 PWs) bands (ev): -68.0095 -68.0095 -40.4707 -40.4707 -36.8111 -36.8111 -32.3413 -32.3413 -32.3265 -32.3265 -17.1125 -17.1125 -16.4773 -16.4773 -16.4271 -16.4271 11.3684 11.3684 12.5063 12.5063 12.9248 12.9248 13.6765 13.6765 13.7942 13.7942 14.1979 14.1979 17.2475 17.2475 17.5679 17.5679 17.6015 17.6015 18.0451 18.0451 19.1690 19.1690 k = 0.2214 0.2214-0.0000 ( 2642 PWs) bands (ev): -68.0097 -68.0097 -40.4713 -40.4713 -36.8108 -36.8108 -32.3404 -32.3404 -32.3263 -32.3263 -17.1106 -17.1106 -16.4743 -16.4743 -16.4265 -16.4265 11.2960 11.2960 12.4915 12.4915 12.8694 12.8694 13.6959 13.6959 13.7943 13.7943 14.2146 14.2146 17.2493 17.2493 17.5806 17.5806 17.6325 17.6325 18.0485 18.0485 19.1685 19.1685 k = 0.2143 0.2143-0.0000 ( 2638 PWs) bands (ev): -68.0098 -68.0098 -40.4718 -40.4718 -36.8103 -36.8103 -32.3394 -32.3394 -32.3261 -32.3261 -17.1088 -17.1088 -16.4712 -16.4712 -16.4260 -16.4260 11.2220 11.2220 12.4746 12.4746 12.8155 12.8155 13.7143 13.7143 13.7985 13.7985 14.2296 14.2296 17.2516 17.2516 17.5794 17.5794 17.6817 17.6817 18.0568 18.0568 19.1681 19.1681 k = 0.2071 0.2071-0.0000 ( 2638 PWs) bands (ev): -68.0099 -68.0099 -40.4724 -40.4724 -36.8100 -36.8100 -32.3385 -32.3385 -32.3259 -32.3259 -17.1069 -17.1069 -16.4681 -16.4681 -16.4254 -16.4254 11.1469 11.1469 12.4558 12.4558 12.7629 12.7629 13.7316 13.7316 13.8065 13.8065 14.2427 14.2427 17.2545 17.2545 17.5764 17.5764 17.7362 17.7362 18.0700 18.0700 19.1678 19.1678 k = 0.2000 0.2000-0.0000 ( 2638 PWs) bands (ev): -68.0100 -68.0100 -40.4729 -40.4729 -36.8096 -36.8096 -32.3375 -32.3375 -32.3257 -32.3257 -17.1051 -17.1051 -16.4650 -16.4650 -16.4248 -16.4248 11.0712 11.0712 12.4357 12.4357 12.7119 12.7119 13.7480 13.7480 13.8176 13.8176 14.2538 14.2538 17.2585 17.2585 17.5731 17.5731 17.7942 17.7942 18.0879 18.0879 19.1678 19.1678 k = 0.1929 0.1929-0.0000 ( 2634 PWs) bands (ev): -68.0100 -68.0100 -40.4734 -40.4734 -36.8092 -36.8092 -32.3366 -32.3366 -32.3256 -32.3256 -17.1033 -17.1033 -16.4620 -16.4620 -16.4242 -16.4242 10.9954 10.9954 12.4143 12.4143 12.6623 12.6623 13.7634 13.7634 13.8310 13.8310 14.2630 14.2630 17.2635 17.2635 17.5697 17.5697 17.8549 17.8549 18.1106 18.1106 19.1678 19.1678 k = 0.1857 0.1857-0.0000 ( 2638 PWs) bands (ev): -68.0101 -68.0101 -40.4740 -40.4740 -36.8089 -36.8089 -32.3357 -32.3357 -32.3254 -32.3254 -17.1015 -17.1015 -16.4590 -16.4590 -16.4236 -16.4236 10.9198 10.9198 12.3921 12.3921 12.6143 12.6143 13.7783 13.7783 13.8459 13.8459 14.2703 14.2703 17.2697 17.2697 17.5664 17.5664 17.9178 17.9178 18.1380 18.1380 19.1680 19.1680 k = 0.1786 0.1786-0.0000 ( 2634 PWs) bands (ev): -68.0102 -68.0102 -40.4745 -40.4745 -36.8085 -36.8085 -32.3349 -32.3349 -32.3252 -32.3252 -17.0997 -17.0997 -16.4560 -16.4560 -16.4230 -16.4230 10.8450 10.8450 12.3692 12.3692 12.5679 12.5679 13.7928 13.7928 13.8617 13.8617 14.2757 14.2757 17.2770 17.2770 17.5632 17.5632 17.9823 17.9823 18.1698 18.1698 19.1683 19.1683 k = 0.1714 0.1714-0.0000 ( 2630 PWs) bands (ev): -68.0103 -68.0103 -40.4750 -40.4750 -36.8081 -36.8081 -32.3340 -32.3340 -32.3250 -32.3250 -17.0980 -17.0980 -16.4531 -16.4531 -16.4223 -16.4223 10.7711 10.7711 12.3458 12.3458 12.5230 12.5230 13.8070 13.8070 13.8778 13.8778 14.2793 14.2793 17.2854 17.2854 17.5601 17.5601 18.0481 18.0481 18.2058 18.2058 19.1687 19.1687 k = 0.1643 0.1643-0.0000 ( 2630 PWs) bands (ev): -68.0104 -68.0104 -40.4754 -40.4754 -36.8078 -36.8078 -32.3332 -32.3332 -32.3249 -32.3249 -17.0963 -17.0963 -16.4502 -16.4502 -16.4217 -16.4217 10.6986 10.6986 12.3221 12.3221 12.4798 12.4798 13.8211 13.8211 13.8937 13.8937 14.2814 14.2814 17.2949 17.2949 17.5573 17.5573 18.1147 18.1147 18.2460 18.2460 19.1693 19.1693 k = 0.1571 0.1571-0.0000 ( 2630 PWs) bands (ev): -68.0105 -68.0105 -40.4759 -40.4759 -36.8075 -36.8075 -32.3324 -32.3324 -32.3247 -32.3247 -17.0946 -17.0946 -16.4474 -16.4474 -16.4211 -16.4211 10.6277 10.6277 12.2984 12.2984 12.4382 12.4382 13.8349 13.8349 13.9091 13.9091 14.2821 14.2821 17.3054 17.3054 17.5545 17.5545 18.1816 18.1816 18.2902 18.2902 19.1700 19.1700 k = 0.1500 0.1500-0.0000 ( 2622 PWs) bands (ev): -68.0106 -68.0106 -40.4763 -40.4763 -36.8072 -36.8072 -32.3316 -32.3316 -32.3246 -32.3246 -17.0930 -17.0930 -16.4447 -16.4447 -16.4205 -16.4205 10.5587 10.5587 12.2748 12.2748 12.3982 12.3982 13.8485 13.8485 13.9238 13.9238 14.2817 14.2817 17.3168 17.3168 17.5520 17.5520 18.2481 18.2481 18.3381 18.3381 19.1708 19.1708 k = 0.1429 0.1429-0.0000 ( 2618 PWs) bands (ev): -68.0107 -68.0107 -40.4767 -40.4767 -36.8069 -36.8069 -32.3308 -32.3308 -32.3244 -32.3244 -17.0914 -17.0914 -16.4420 -16.4420 -16.4199 -16.4199 10.4917 10.4917 12.2513 12.2513 12.3600 12.3600 13.8618 13.8618 13.9376 13.9376 14.2802 14.2802 17.3290 17.3290 17.5496 17.5496 18.3139 18.3139 18.3895 18.3895 19.1716 19.1716 k = 0.1357 0.1357-0.0000 ( 2624 PWs) bands (ev): -68.0108 -68.0108 -40.4771 -40.4771 -36.8066 -36.8066 -32.3301 -32.3301 -32.3243 -32.3243 -17.0899 -17.0899 -16.4394 -16.4394 -16.4193 -16.4193 10.4270 10.4270 12.2283 12.2283 12.3235 12.3235 13.8747 13.8747 13.9504 13.9504 14.2781 14.2781 17.3418 17.3418 17.5473 17.5473 18.3783 18.3783 18.4443 18.4443 19.1726 19.1726 k = 0.1286 0.1286-0.0000 ( 2624 PWs) bands (ev): -68.0108 -68.0108 -40.4775 -40.4775 -36.8063 -36.8063 -32.3294 -32.3294 -32.3242 -32.3242 -17.0884 -17.0884 -16.4369 -16.4369 -16.4187 -16.4187 10.3648 10.3648 12.2057 12.2057 12.2888 12.2888 13.8872 13.8872 13.9620 13.9620 14.2754 14.2754 17.3552 17.3552 17.5453 17.5453 18.4411 18.4411 18.5018 18.5018 19.1737 19.1737 k = 0.1214 0.1214-0.0000 ( 2624 PWs) bands (ev): -68.0109 -68.0109 -40.4779 -40.4779 -36.8061 -36.8061 -32.3287 -32.3287 -32.3241 -32.3241 -17.0870 -17.0870 -16.4344 -16.4344 -16.4181 -16.4181 10.3052 10.3052 12.1837 12.1837 12.2558 12.2558 13.8992 13.8992 13.9723 13.9723 14.2725 14.2725 17.3689 17.3689 17.5434 17.5434 18.5023 18.5023 18.5612 18.5612 19.1748 19.1748 k = 0.1143 0.1143-0.0000 ( 2618 PWs) bands (ev): -68.0110 -68.0110 -40.4782 -40.4782 -36.8058 -36.8058 -32.3281 -32.3281 -32.3239 -32.3239 -17.0857 -17.0857 -16.4321 -16.4321 -16.4176 -16.4176 10.2484 10.2484 12.1624 12.1624 12.2246 12.2246 13.9106 13.9106 13.9813 13.9813 14.2695 14.2695 17.3829 17.3829 17.5416 17.5416 18.5622 18.5622 18.6214 18.6214 19.1760 19.1760 k = 0.1071 0.1071-0.0000 ( 2618 PWs) bands (ev): -68.0110 -68.0110 -40.4786 -40.4786 -36.8056 -36.8056 -32.3275 -32.3275 -32.3238 -32.3238 -17.0844 -17.0844 -16.4299 -16.4299 -16.4170 -16.4170 10.1945 10.1945 12.1419 12.1419 12.1952 12.1952 13.9215 13.9215 13.9889 13.9889 14.2666 14.2666 17.3970 17.3970 17.5400 17.5400 18.6210 18.6210 18.6813 18.6813 19.1773 19.1773 k = 0.1000 0.1000-0.0000 ( 2610 PWs) bands (ev): -68.0111 -68.0111 -40.4789 -40.4789 -36.8054 -36.8054 -32.3269 -32.3269 -32.3237 -32.3237 -17.0832 -17.0832 -16.4278 -16.4278 -16.4165 -16.4165 10.1436 10.1436 12.1223 12.1223 12.1676 12.1676 13.9318 13.9318 13.9951 13.9951 14.2641 14.2641 17.4110 17.4110 17.5386 17.5386 18.6787 18.6787 18.7401 18.7401 19.1787 19.1787 k = 0.0929 0.0929-0.0000 ( 2618 PWs) bands (ev): -68.0112 -68.0112 -40.4792 -40.4792 -36.8052 -36.8052 -32.3265 -32.3265 -32.3236 -32.3236 -17.0820 -17.0820 -16.4258 -16.4258 -16.4160 -16.4160 10.0959 10.0959 12.1037 12.1037 12.1418 12.1418 13.9414 13.9414 14.0000 14.0000 14.2619 14.2619 17.4249 17.4249 17.5372 17.5372 18.7351 18.7351 18.7970 18.7970 19.1801 19.1801 k = 0.0857 0.0857-0.0000 ( 2616 PWs) bands (ev): -68.0112 -68.0112 -40.4794 -40.4794 -36.8050 -36.8050 -32.3260 -32.3260 -32.3236 -32.3236 -17.0809 -17.0809 -16.4239 -16.4239 -16.4156 -16.4156 10.0513 10.0513 12.0861 12.0861 12.1179 12.1179 13.9503 13.9503 14.0036 14.0036 14.2602 14.2602 17.4384 17.4384 17.5361 17.5361 18.7899 18.7899 18.8515 18.8515 19.1817 19.1817 k = 0.0786 0.0786-0.0000 ( 2608 PWs) bands (ev): -68.0113 -68.0113 -40.4797 -40.4797 -36.8048 -36.8048 -32.3255 -32.3255 -32.3234 -32.3234 -17.0799 -17.0799 -16.4222 -16.4222 -16.4151 -16.4151 10.0100 10.0100 12.0697 12.0697 12.0959 12.0959 13.9585 13.9585 14.0060 14.0060 14.2590 14.2590 17.4514 17.4514 17.5350 17.5350 18.8427 18.8427 18.9031 18.9031 19.1833 19.1833 k = 0.0714 0.0714-0.0000 ( 2604 PWs) bands (ev): -68.0113 -68.0113 -40.4799 -40.4799 -36.8046 -36.8046 -32.3250 -32.3250 -32.3234 -32.3234 -17.0790 -17.0790 -16.4206 -16.4206 -16.4147 -16.4147 9.9721 9.9721 12.0545 12.0545 12.0758 12.0758 13.9661 13.9661 14.0074 14.0074 14.2583 14.2583 17.4638 17.4638 17.5340 17.5340 18.8930 18.8930 18.9512 18.9512 19.1852 19.1852 k = 0.0643 0.0643-0.0000 ( 2604 PWs) bands (ev): -68.0114 -68.0114 -40.4801 -40.4801 -36.8045 -36.8045 -32.3247 -32.3247 -32.3233 -32.3233 -17.0782 -17.0782 -16.4191 -16.4191 -16.4144 -16.4144 9.9376 9.9376 12.0406 12.0406 12.0575 12.0575 13.9729 13.9729 14.0080 14.0080 14.2580 14.2580 17.4755 17.4755 17.5332 17.5332 18.9403 18.9403 18.9956 18.9956 19.1873 19.1873 k = 0.0571 0.0571-0.0000 ( 2596 PWs) bands (ev): -68.0114 -68.0114 -40.4803 -40.4803 -36.8043 -36.8043 -32.3243 -32.3243 -32.3232 -32.3232 -17.0774 -17.0774 -16.4178 -16.4178 -16.4140 -16.4140 9.9066 9.9066 12.0280 12.0280 12.0411 12.0411 13.9790 13.9790 14.0079 14.0079 14.2581 14.2581 17.4862 17.4862 17.5325 17.5325 18.9842 18.9842 19.0357 19.0357 19.1898 19.1898 k = 0.0500 0.0500-0.0000 ( 2596 PWs) bands (ev): -68.0114 -68.0114 -40.4804 -40.4804 -36.8042 -36.8042 -32.3240 -32.3240 -32.3231 -32.3231 -17.0767 -17.0767 -16.4166 -16.4166 -16.4137 -16.4137 9.8792 9.8792 12.0168 12.0168 12.0267 12.0267 13.9844 13.9844 14.0073 14.0073 14.2584 14.2584 17.4960 17.4960 17.5319 17.5319 19.0241 19.0241 19.0710 19.0710 19.1931 19.1931 k = 0.0429 0.0429-0.0000 ( 2593 PWs) bands (ev): -68.0115 -68.0115 -40.4806 -40.4806 -36.8041 -36.8041 -32.3237 -32.3237 -32.3231 -32.3231 -17.0761 -17.0761 -16.4156 -16.4156 -16.4135 -16.4135 9.8553 9.8553 12.0069 12.0069 12.0141 12.0141 13.9890 13.9890 14.0063 14.0063 14.2589 14.2589 17.5047 17.5047 17.5313 17.5313 19.0596 19.0596 19.1007 19.1007 19.1975 19.1975 k = 0.0357 0.0357-0.0000 ( 2581 PWs) bands (ev): -68.0115 -68.0115 -40.4807 -40.4807 -36.8040 -36.8040 -32.3235 -32.3235 -32.3230 -32.3230 -17.0756 -17.0756 -16.4147 -16.4147 -16.4132 -16.4132 9.8350 9.8350 11.9986 11.9986 12.0035 12.0035 13.9929 13.9929 14.0053 14.0053 14.2595 14.2595 17.5123 17.5123 17.5309 17.5309 19.0902 19.0902 19.1242 19.1242 19.2035 19.2035 k = 0.0286 0.0286-0.0000 ( 2583 PWs) bands (ev): -68.0115 -68.0115 -40.4808 -40.4808 -36.8039 -36.8039 -32.3233 -32.3233 -32.3230 -32.3230 -17.0752 -17.0752 -16.4140 -16.4140 -16.4131 -16.4131 9.8184 9.8184 11.9917 11.9917 11.9948 11.9948 13.9962 13.9962 14.0042 14.0042 14.2601 14.2601 17.5185 17.5185 17.5305 17.5305 19.1157 19.1157 19.1409 19.1409 19.2114 19.2114 k = 0.0214 0.0214-0.0000 ( 2583 PWs) bands (ev): -68.0115 -68.0115 -40.4809 -40.4809 -36.8039 -36.8039 -32.3231 -32.3231 -32.3230 -32.3230 -17.0749 -17.0749 -16.4134 -16.4134 -16.4129 -16.4129 9.8055 9.8055 11.9863 11.9863 11.9880 11.9880 13.9987 13.9987 14.0033 14.0033 14.2607 14.2607 17.5235 17.5235 17.5303 17.5303 19.1358 19.1358 19.1516 19.1516 19.2201 19.2201 k = 0.0143 0.0143-0.0000 ( 2589 PWs) bands (ev): -68.0115 -68.0115 -40.4809 -40.4809 -36.8038 -36.8038 -32.3231 -32.3231 -32.3230 -32.3230 -17.0747 -17.0747 -16.4130 -16.4130 -16.4128 -16.4128 9.7962 9.7962 11.9824 11.9824 11.9832 11.9832 14.0004 14.0004 14.0025 14.0025 14.2611 14.2611 17.5270 17.5270 17.5301 17.5301 19.1502 19.1502 19.1577 19.1577 19.2280 19.2280 k = 0.0071 0.0071-0.0000 ( 2601 PWs) bands (ev): -68.0115 -68.0115 -40.4810 -40.4810 -36.8039 -36.8039 -32.3231 -32.3231 -32.3230 -32.3230 -17.0745 -17.0745 -16.4128 -16.4128 -16.4127 -16.4127 9.7906 9.7906 11.9801 11.9801 11.9803 11.9803 14.0015 14.0015 14.0020 14.0020 14.2614 14.2614 17.5292 17.5292 17.5299 17.5299 19.1589 19.1589 19.1609 19.1609 19.2334 19.2334 k = 0.0000 0.0000 0.0000 ( 2601 PWs) bands (ev): -68.0115 -68.0115 -40.4810 -40.4810 -36.8039 -36.8039 -32.3230 -32.3230 -32.3230 -32.3230 -17.0745 -17.0745 -16.4127 -16.4127 -16.4127 -16.4127 9.7888 9.7888 11.9793 11.9793 11.9793 11.9793 14.0019 14.0019 14.0019 14.0019 14.2615 14.2615 17.5299 17.5299 17.5299 17.5299 19.1618 19.1618 19.1618 19.1618 19.2353 19.2353 k = 0.0000 0.0000 0.0000 ( 2601 PWs) bands (ev): -68.0115 -68.0115 -40.4810 -40.4810 -36.8039 -36.8039 -32.3230 -32.3230 -32.3230 -32.3230 -17.0745 -17.0745 -16.4127 -16.4127 -16.4127 -16.4127 9.7888 9.7888 11.9793 11.9793 11.9793 11.9793 14.0019 14.0019 14.0019 14.0019 14.2615 14.2615 17.5299 17.5299 17.5299 17.5299 19.1618 19.1618 19.1618 19.1618 19.2353 19.2353 k = 0.0058 0.0058 0.0058 ( 2601 PWs) bands (ev): -68.0115 -68.0115 -40.4810 -40.4810 -36.8039 -36.8039 -32.3230 -32.3230 -32.3230 -32.3230 -17.0745 -17.0745 -16.4128 -16.4128 -16.4128 -16.4128 9.7906 9.7906 11.9802 11.9802 11.9802 11.9802 14.0015 14.0015 14.0020 14.0020 14.2614 14.2614 17.5295 17.5295 17.5296 17.5296 19.1588 19.1588 19.1610 19.1610 19.2335 19.2335 k = 0.0116 0.0116 0.0116 ( 2589 PWs) bands (ev): -68.0115 -68.0115 -40.4809 -40.4809 -36.8038 -36.8038 -32.3231 -32.3231 -32.3230 -32.3230 -17.0747 -17.0747 -16.4129 -16.4129 -16.4129 -16.4129 9.7961 9.7961 11.9827 11.9827 11.9828 11.9828 14.0004 14.0004 14.0025 14.0025 14.2611 14.2611 17.5284 17.5284 17.5287 17.5287 19.1496 19.1496 19.1584 19.1584 19.2281 19.2281 k = 0.0174 0.0174 0.0174 ( 2589 PWs) bands (ev): -68.0115 -68.0115 -40.4809 -40.4809 -36.8039 -36.8039 -32.3231 -32.3231 -32.3230 -32.3230 -17.0749 -17.0749 -16.4132 -16.4132 -16.4131 -16.4131 9.8054 9.8054 11.9870 11.9870 11.9872 11.9872 13.9986 13.9986 14.0033 14.0033 14.2607 14.2607 17.5266 17.5266 17.5272 17.5272 19.1336 19.1336 19.1542 19.1542 19.2200 19.2200 k = 0.0233 0.0233 0.0233 ( 2583 PWs) bands (ev): -68.0115 -68.0115 -40.4808 -40.4808 -36.8039 -36.8039 -32.3232 -32.3232 -32.3231 -32.3231 -17.0752 -17.0752 -16.4136 -16.4136 -16.4134 -16.4134 9.8182 9.8182 11.9929 11.9929 11.9934 11.9934 13.9960 13.9960 14.0043 14.0043 14.2602 14.2602 17.5240 17.5240 17.5252 17.5252 19.1102 19.1102 19.1482 19.1482 19.2101 19.2101 k = 0.0291 0.0291 0.0291 ( 2583 PWs) bands (ev): -68.0115 -68.0115 -40.4807 -40.4807 -36.8040 -36.8040 -32.3233 -32.3233 -32.3232 -32.3232 -17.0756 -17.0756 -16.4142 -16.4142 -16.4138 -16.4138 9.8347 9.8347 12.0006 12.0006 12.0012 12.0012 13.9927 13.9927 14.0054 14.0054 14.2596 14.2596 17.5208 17.5208 17.5226 17.5226 19.0793 19.0793 19.1407 19.1407 19.1988 19.1988 k = 0.0349 0.0349 0.0349 ( 2601 PWs) bands (ev): -68.0115 -68.0115 -40.4806 -40.4806 -36.8041 -36.8041 -32.3235 -32.3235 -32.3234 -32.3234 -17.0761 -17.0761 -16.4148 -16.4148 -16.4143 -16.4143 9.8549 9.8549 12.0099 12.0099 12.0108 12.0108 13.9887 13.9887 14.0064 14.0064 14.2590 14.2590 17.5170 17.5170 17.5195 17.5195 19.0412 19.0412 19.1314 19.1314 19.1862 19.1862 k = 0.0407 0.0407 0.0407 ( 2601 PWs) bands (ev): -68.0114 -68.0114 -40.4805 -40.4805 -36.8042 -36.8042 -32.3237 -32.3237 -32.3235 -32.3235 -17.0767 -17.0767 -16.4155 -16.4155 -16.4148 -16.4148 9.8786 9.8786 12.0208 12.0208 12.0221 12.0221 13.9839 13.9839 14.0071 14.0071 14.2586 14.2586 17.5126 17.5126 17.5161 17.5161 18.9966 18.9966 19.1206 19.1206 19.1725 19.1725 k = 0.0465 0.0465 0.0465 ( 2607 PWs) bands (ev): -68.0114 -68.0114 -40.4803 -40.4803 -36.8044 -36.8044 -32.3239 -32.3239 -32.3237 -32.3237 -17.0774 -17.0774 -16.4164 -16.4164 -16.4155 -16.4155 9.9059 9.9059 12.0334 12.0334 12.0351 12.0351 13.9783 13.9783 14.0075 14.0075 14.2583 14.2583 17.5078 17.5078 17.5122 17.5122 18.9461 18.9461 19.1082 19.1082 19.1573 19.1573 k = 0.0523 0.0523 0.0523 ( 2607 PWs) bands (ev): -68.0114 -68.0114 -40.4801 -40.4801 -36.8045 -36.8045 -32.3241 -32.3241 -32.3239 -32.3239 -17.0781 -17.0781 -16.4173 -16.4173 -16.4162 -16.4162 9.9367 9.9367 12.0476 12.0476 12.0498 12.0498 13.9720 13.9720 14.0072 14.0072 14.2583 14.2583 17.5025 17.5025 17.5081 17.5081 18.8904 18.8904 19.0943 19.0943 19.1408 19.1408 k = 0.0581 0.0581 0.0581 ( 2607 PWs) bands (ev): -68.0113 -68.0113 -40.4799 -40.4799 -36.8046 -36.8046 -32.3244 -32.3244 -32.3241 -32.3241 -17.0790 -17.0790 -16.4183 -16.4183 -16.4170 -16.4170 9.9710 9.9710 12.0634 12.0634 12.0661 12.0661 13.9649 13.9649 14.0060 14.0060 14.2587 14.2587 17.4969 17.4969 17.5038 17.5038 18.8304 18.8304 19.0788 19.0788 19.1229 19.1229 k = 0.0640 0.0640 0.0640 ( 2608 PWs) bands (ev): -68.0113 -68.0113 -40.4797 -40.4797 -36.8048 -36.8048 -32.3246 -32.3246 -32.3243 -32.3243 -17.0799 -17.0799 -16.4195 -16.4195 -16.4179 -16.4179 10.0087 10.0087 12.0807 12.0807 12.0841 12.0841 13.9571 13.9571 14.0038 14.0038 14.2595 14.2595 17.4910 17.4910 17.4993 17.4993 18.7668 18.7668 19.0619 19.0619 19.1035 19.1035 k = 0.0698 0.0698 0.0698 ( 2620 PWs) bands (ev): -68.0112 -68.0112 -40.4794 -40.4794 -36.8050 -36.8050 -32.3250 -32.3250 -32.3246 -32.3246 -17.0809 -17.0809 -16.4207 -16.4207 -16.4188 -16.4188 10.0498 10.0498 12.0995 12.0995 12.1036 12.1036 13.9484 13.9484 14.0003 14.0003 14.2607 14.2607 17.4850 17.4850 17.4947 17.4947 18.7004 18.7004 19.0436 19.0436 19.0826 19.0826 k = 0.0756 0.0756 0.0756 ( 2620 PWs) bands (ev): -68.0112 -68.0112 -40.4791 -40.4791 -36.8052 -36.8052 -32.3253 -32.3253 -32.3248 -32.3248 -17.0819 -17.0819 -16.4220 -16.4220 -16.4199 -16.4199 10.0941 10.0941 12.1198 12.1198 12.1247 12.1247 13.9390 13.9390 13.9954 13.9954 14.2622 14.2622 17.4790 17.4790 17.4903 17.4903 18.6320 18.6320 19.0240 19.0240 19.0604 19.0604 k = 0.0814 0.0814 0.0814 ( 2614 PWs) bands (ev): -68.0111 -68.0111 -40.4788 -40.4788 -36.8054 -36.8054 -32.3256 -32.3256 -32.3251 -32.3251 -17.0831 -17.0831 -16.4234 -16.4234 -16.4210 -16.4210 10.1417 10.1417 12.1415 12.1415 12.1473 12.1473 13.9289 13.9289 13.9890 13.9890 14.2640 14.2640 17.4730 17.4730 17.4859 17.4859 18.5625 18.5625 19.0030 19.0030 19.0368 19.0368 k = 0.0872 0.0872 0.0872 ( 2620 PWs) bands (ev): -68.0110 -68.0110 -40.4785 -40.4785 -36.8056 -36.8056 -32.3260 -32.3260 -32.3254 -32.3254 -17.0843 -17.0843 -16.4249 -16.4249 -16.4222 -16.4222 10.1925 10.1925 12.1647 12.1647 12.1714 12.1714 13.9179 13.9179 13.9811 13.9811 14.2658 14.2658 17.4672 17.4672 17.4817 17.4817 18.4925 18.4925 18.9808 18.9808 19.0119 19.0119 k = 0.0930 0.0930 0.0930 ( 2620 PWs) bands (ev): -68.0110 -68.0110 -40.4782 -40.4782 -36.8059 -36.8059 -32.3264 -32.3264 -32.3257 -32.3257 -17.0856 -17.0856 -16.4265 -16.4265 -16.4234 -16.4234 10.2464 10.2464 12.1892 12.1892 12.1969 12.1969 13.9061 13.9061 13.9715 13.9715 14.2676 14.2676 17.4616 17.4616 17.4779 17.4779 18.4229 18.4229 18.9574 18.9574 18.9857 18.9857 k = 0.0988 0.0988 0.0988 ( 2620 PWs) bands (ev): -68.0109 -68.0109 -40.4778 -40.4778 -36.8061 -36.8061 -32.3268 -32.3268 -32.3261 -32.3261 -17.0869 -17.0869 -16.4281 -16.4281 -16.4248 -16.4248 10.3032 10.3032 12.2149 12.2149 12.2239 12.2239 13.8936 13.8936 13.9604 13.9604 14.2689 14.2689 17.4563 17.4563 17.4744 17.4744 18.3545 18.3545 18.9329 18.9329 18.9584 18.9584 k = 0.1047 0.1047 0.1047 ( 2623 PWs) bands (ev): -68.0108 -68.0108 -40.4774 -40.4774 -36.8064 -36.8064 -32.3273 -32.3273 -32.3265 -32.3265 -17.0883 -17.0883 -16.4298 -16.4298 -16.4262 -16.4262 10.3630 10.3630 12.2419 12.2419 12.2522 12.2522 13.8804 13.8804 13.9477 13.9477 14.2695 14.2695 17.4515 17.4515 17.4714 17.4714 18.2880 18.2880 18.9073 18.9073 18.9300 18.9300 k = 0.1105 0.1105 0.1105 ( 2629 PWs) bands (ev): -68.0107 -68.0107 -40.4770 -40.4770 -36.8067 -36.8067 -32.3278 -32.3278 -32.3269 -32.3269 -17.0898 -17.0898 -16.4315 -16.4315 -16.4276 -16.4276 10.4256 10.4256 12.2701 12.2701 12.2819 12.2819 13.8664 13.8664 13.9334 13.9334 14.2690 14.2690 17.4473 17.4473 17.4690 17.4690 18.2243 18.2243 18.8807 18.8807 18.9005 18.9005 k = 0.1163 0.1163 0.1163 ( 2623 PWs) bands (ev): -68.0107 -68.0107 -40.4766 -40.4766 -36.8070 -36.8070 -32.3282 -32.3282 -32.3272 -32.3272 -17.0913 -17.0913 -16.4333 -16.4333 -16.4292 -16.4292 10.4910 10.4910 12.2994 12.2994 12.3128 12.3128 13.8517 13.8517 13.9178 13.9178 14.2672 14.2672 17.4437 17.4437 17.4671 17.4671 18.1640 18.1640 18.8532 18.8532 18.8701 18.8701 k = 0.1221 0.1221 0.1221 ( 2623 PWs) bands (ev): -68.0106 -68.0106 -40.4762 -40.4762 -36.8073 -36.8073 -32.3287 -32.3287 -32.3277 -32.3277 -17.0928 -17.0928 -16.4352 -16.4352 -16.4308 -16.4308 10.5589 10.5589 12.3298 12.3298 12.3449 12.3449 13.8363 13.8363 13.9008 13.9008 14.2636 14.2636 17.4408 17.4408 17.4660 17.4660 18.1079 18.1079 18.8248 18.8248 18.8387 18.8387 k = 0.1279 0.1279 0.1279 ( 2623 PWs) bands (ev): -68.0105 -68.0105 -40.4757 -40.4757 -36.8076 -36.8076 -32.3292 -32.3292 -32.3281 -32.3281 -17.0944 -17.0944 -16.4371 -16.4371 -16.4325 -16.4325 10.6294 10.6294 12.3612 12.3612 12.3782 12.3782 13.8202 13.8202 13.8825 13.8825 14.2581 14.2581 17.4387 17.4387 17.4655 17.4655 18.0567 18.0567 18.7957 18.7957 18.8066 18.8066 k = 0.1337 0.1337 0.1337 ( 2629 PWs) bands (ev): -68.0104 -68.0104 -40.4752 -40.4752 -36.8080 -36.8080 -32.3298 -32.3298 -32.3287 -32.3287 -17.0961 -17.0961 -16.4390 -16.4390 -16.4342 -16.4342 10.7022 10.7022 12.3934 12.3934 12.4126 12.4126 13.8035 13.8035 13.8629 13.8629 14.2502 14.2502 17.4375 17.4375 17.4659 17.4659 18.0109 18.0109 18.7658 18.7658 18.7738 18.7738 k = 0.1395 0.1395 0.1395 ( 2629 PWs) bands (ev): -68.0103 -68.0103 -40.4747 -40.4747 -36.8083 -36.8083 -32.3303 -32.3303 -32.3292 -32.3292 -17.0978 -17.0978 -16.4410 -16.4410 -16.4360 -16.4360 10.7773 10.7773 12.4265 12.4265 12.4481 12.4481 13.7862 13.7862 13.8422 13.8422 14.2397 14.2397 17.4371 17.4371 17.4670 17.4670 17.9711 17.9711 18.7353 18.7353 18.7404 18.7404 k = 0.1453 0.1453 0.1453 ( 2629 PWs) bands (ev): -68.0102 -68.0102 -40.4742 -40.4742 -36.8087 -36.8087 -32.3309 -32.3309 -32.3297 -32.3297 -17.0995 -17.0995 -16.4430 -16.4430 -16.4378 -16.4378 10.8546 10.8546 12.4604 12.4604 12.4845 12.4845 13.7685 13.7685 13.8205 13.8205 14.2265 14.2265 17.4377 17.4377 17.4689 17.4689 17.9379 17.9379 18.7043 18.7043 18.7064 18.7064 k = 0.1512 0.1512 0.1512 ( 2635 PWs) bands (ev): -68.0101 -68.0101 -40.4736 -40.4736 -36.8091 -36.8091 -32.3315 -32.3315 -32.3303 -32.3303 -17.1013 -17.1013 -16.4450 -16.4450 -16.4397 -16.4397 10.9338 10.9338 12.4949 12.4949 12.5219 12.5219 13.7502 13.7502 13.7977 13.7977 14.2103 14.2103 17.4393 17.4393 17.4716 17.4716 17.9117 17.9117 18.6721 18.6721 18.6728 18.6728 k = 0.1570 0.1570 0.1570 ( 2635 PWs) bands (ev): -68.0100 -68.0100 -40.4730 -40.4730 -36.8095 -36.8095 -32.3321 -32.3321 -32.3309 -32.3309 -17.1031 -17.1031 -16.4471 -16.4471 -16.4416 -16.4416 11.0149 11.0149 12.5299 12.5299 12.5602 12.5602 13.7316 13.7316 13.7740 13.7740 14.1912 14.1912 17.4418 17.4418 17.4752 17.4752 17.8928 17.8928 18.6375 18.6375 18.6410 18.6410 k = 0.1628 0.1628 0.1628 ( 2629 PWs) bands (ev): -68.0099 -68.0099 -40.4725 -40.4725 -36.8099 -36.8099 -32.3327 -32.3327 -32.3314 -32.3314 -17.1050 -17.1050 -16.4492 -16.4492 -16.4436 -16.4436 11.0976 11.0976 12.5654 12.5654 12.5992 12.5992 13.7128 13.7128 13.7495 13.7495 14.1692 14.1692 17.4453 17.4453 17.4794 17.4794 17.8815 17.8815 18.6028 18.6028 18.6090 18.6090 k = 0.1686 0.1686 0.1686 ( 2629 PWs) bands (ev): -68.0098 -68.0098 -40.4719 -40.4719 -36.8103 -36.8103 -32.3333 -32.3333 -32.3320 -32.3320 -17.1069 -17.1069 -16.4513 -16.4513 -16.4456 -16.4456 11.1818 11.1818 12.6012 12.6012 12.6390 12.6390 13.6937 13.6937 13.7242 13.7242 14.1443 14.1443 17.4497 17.4497 17.4843 17.4843 17.8779 17.8779 18.5682 18.5682 18.5768 18.5768 k = 0.1744 0.1744 0.1744 ( 2629 PWs) bands (ev): -68.0097 -68.0097 -40.4712 -40.4712 -36.8107 -36.8107 -32.3340 -32.3340 -32.3326 -32.3326 -17.1088 -17.1088 -16.4534 -16.4534 -16.4477 -16.4477 11.2673 11.2673 12.6372 12.6372 12.6795 12.6795 13.6746 13.6746 13.6982 13.6982 14.1167 14.1167 17.4549 17.4549 17.4898 17.4898 17.8821 17.8821 18.5337 18.5337 18.5447 18.5447 k = 0.1802 0.1802 0.1802 ( 2635 PWs) bands (ev): -68.0096 -68.0096 -40.4706 -40.4706 -36.8112 -36.8112 -32.3346 -32.3346 -32.3333 -32.3333 -17.1107 -17.1107 -16.4555 -16.4555 -16.4498 -16.4498 11.3539 11.3539 12.6732 12.6732 12.7206 12.7206 13.6556 13.6556 13.6717 13.6717 14.0867 14.0867 17.4609 17.4609 17.4957 17.4957 17.8941 17.8941 18.4997 18.4997 18.5128 18.5128 k = 0.1860 0.1860 0.1860 ( 2626 PWs) bands (ev): -68.0094 -68.0094 -40.4699 -40.4699 -36.8116 -36.8116 -32.3352 -32.3352 -32.3339 -32.3339 -17.1126 -17.1126 -16.4576 -16.4576 -16.4520 -16.4520 11.4413 11.4413 12.7091 12.7091 12.7623 12.7623 13.6369 13.6369 13.6446 13.6446 14.0546 14.0546 17.4674 17.4674 17.5019 17.5019 17.9139 17.9139 18.4663 18.4663 18.4813 18.4813 k = 0.1919 0.1919 0.1919 ( 2620 PWs) bands (ev): -68.0093 -68.0093 -40.4693 -40.4693 -36.8120 -36.8120 -32.3359 -32.3359 -32.3346 -32.3346 -17.1146 -17.1146 -16.4598 -16.4598 -16.4541 -16.4541 11.5294 11.5294 12.7446 12.7446 12.8044 12.8044 13.6172 13.6172 13.6186 13.6186 14.0208 14.0208 17.4744 17.4744 17.5080 17.5080 17.9412 17.9412 18.4339 18.4339 18.4505 18.4505 k = 0.1977 0.1977 0.1977 ( 2623 PWs) bands (ev): -68.0092 -68.0092 -40.4686 -40.4686 -36.8125 -36.8125 -32.3366 -32.3366 -32.3353 -32.3353 -17.1166 -17.1166 -16.4619 -16.4619 -16.4564 -16.4564 11.6177 11.6177 12.7795 12.7795 12.8469 12.8469 13.5896 13.5896 13.6010 13.6010 13.9858 13.9858 17.4815 17.4815 17.5139 17.5139 17.9760 17.9760 18.4027 18.4027 18.4205 18.4205 k = 0.2035 0.2035 0.2035 ( 2623 PWs) bands (ev): -68.0091 -68.0091 -40.4679 -40.4679 -36.8130 -36.8130 -32.3373 -32.3373 -32.3360 -32.3360 -17.1186 -17.1186 -16.4640 -16.4640 -16.4586 -16.4586 11.7060 11.7060 12.8136 12.8136 12.8898 12.8898 13.5617 13.5617 13.5844 13.5844 13.9500 13.9500 17.4885 17.4885 17.5191 17.5191 18.0179 18.0179 18.3733 18.3733 18.3918 18.3918 k = 0.2093 0.2093 0.2093 ( 2623 PWs) bands (ev): -68.0090 -68.0090 -40.4672 -40.4672 -36.8135 -36.8135 -32.3380 -32.3380 -32.3368 -32.3368 -17.1206 -17.1206 -16.4662 -16.4662 -16.4609 -16.4609 11.7939 11.7939 12.8465 12.8465 12.9329 12.9329 13.5340 13.5340 13.5691 13.5691 13.9141 13.9141 17.4950 17.4950 17.5232 17.5232 18.0667 18.0667 18.3460 18.3460 18.3646 18.3646 k = 0.2151 0.2151 0.2151 ( 2623 PWs) bands (ev): -68.0088 -68.0088 -40.4664 -40.4664 -36.8140 -36.8140 -32.3387 -32.3387 -32.3375 -32.3375 -17.1226 -17.1226 -16.4683 -16.4683 -16.4631 -16.4631 11.8810 11.8810 12.8777 12.8777 12.9762 12.9762 13.5064 13.5064 13.5555 13.5555 13.8786 13.8786 17.5006 17.5006 17.5257 17.5257 18.1221 18.1221 18.3213 18.3213 18.3395 18.3395 k = 0.2209 0.2209 0.2209 ( 2629 PWs) bands (ev): -68.0087 -68.0087 -40.4657 -40.4657 -36.8145 -36.8145 -32.3394 -32.3394 -32.3383 -32.3383 -17.1246 -17.1246 -16.4704 -16.4704 -16.4654 -16.4654 11.9666 11.9666 12.9070 12.9070 13.0196 13.0196 13.4792 13.4792 13.5442 13.5442 13.8441 13.8441 17.5048 17.5048 17.5261 17.5261 18.1836 18.1836 18.3001 18.3001 18.3168 18.3168 k = 0.2267 0.2267 0.2267 ( 2617 PWs) bands (ev): -68.0086 -68.0086 -40.4650 -40.4650 -36.8150 -36.8150 -32.3400 -32.3400 -32.3390 -32.3390 -17.1266 -17.1266 -16.4726 -16.4726 -16.4678 -16.4678 12.0503 12.0503 12.9337 12.9337 13.0631 13.0631 13.4525 13.4525 13.5355 13.5355 13.8114 13.8114 17.5070 17.5070 17.5237 17.5237 18.2494 18.2494 18.2844 18.2844 18.2972 18.2972 k = 0.2326 0.2326 0.2326 ( 2614 PWs) bands (ev): -68.0085 -68.0085 -40.4642 -40.4642 -36.8155 -36.8155 -32.3407 -32.3407 -32.3397 -32.3397 -17.1287 -17.1287 -16.4747 -16.4747 -16.4701 -16.4701 12.1312 12.1312 12.9572 12.9572 13.1066 13.1066 13.4268 13.4268 13.5302 13.5302 13.7814 13.7814 17.5068 17.5068 17.5180 17.5180 18.2661 18.2661 18.2812 18.2812 18.3278 18.3278 k = 0.2384 0.2384 0.2384 ( 2614 PWs) bands (ev): -68.0083 -68.0083 -40.4635 -40.4635 -36.8160 -36.8160 -32.3415 -32.3415 -32.3405 -32.3405 -17.1307 -17.1307 -16.4768 -16.4768 -16.4724 -16.4724 12.2084 12.2084 12.9771 12.9771 13.1501 13.1501 13.4020 13.4020 13.5286 13.5286 13.7548 13.7548 17.5034 17.5034 17.5086 17.5086 18.2580 18.2580 18.2692 18.2692 18.4060 18.4060 k = 0.2442 0.2442 0.2442 ( 2614 PWs) bands (ev): -68.0082 -68.0082 -40.4627 -40.4627 -36.8165 -36.8165 -32.3422 -32.3422 -32.3413 -32.3413 -17.1328 -17.1328 -16.4789 -16.4789 -16.4748 -16.4748 12.2811 12.2811 12.9929 12.9929 13.1936 13.1936 13.3784 13.3784 13.5315 13.5315 13.7327 13.7327 17.4950 17.4950 17.4964 17.4964 18.2543 18.2543 18.2617 18.2617 18.4903 18.4903 k = 0.2500 0.2500 0.2500 ( 2605 PWs) bands (ev): -68.0081 -68.0081 -40.4619 -40.4619 -36.8170 -36.8170 -32.3429 -32.3429 -32.3420 -32.3420 -17.1348 -17.1348 -16.4810 -16.4810 -16.4771 -16.4771 12.3480 12.3480 13.0042 13.0042 13.2371 13.2371 13.3563 13.3563 13.5390 13.5390 13.7161 13.7161 17.4773 17.4773 17.4855 17.4855 18.2555 18.2555 18.2592 18.2592 18.5796 18.5796 k = 0.2558 0.2558 0.2558 ( 2617 PWs) bands (ev): -68.0080 -68.0080 -40.4612 -40.4612 -36.8176 -36.8176 -32.3436 -32.3436 -32.3428 -32.3428 -17.1368 -17.1368 -16.4831 -16.4831 -16.4795 -16.4795 12.4080 12.4080 13.0111 13.0111 13.2799 13.2799 13.3363 13.3363 13.5512 13.5512 13.7063 13.7063 17.4552 17.4552 17.4704 17.4704 18.2616 18.2616 18.2617 18.2617 18.6737 18.6737 k = 0.2616 0.2616 0.2616 ( 2617 PWs) bands (ev): -68.0078 -68.0078 -40.4604 -40.4604 -36.8181 -36.8181 -32.3443 -32.3443 -32.3436 -32.3436 -17.1389 -17.1389 -16.4851 -16.4851 -16.4819 -16.4819 12.4602 12.4602 13.0136 13.0136 13.3058 13.3058 13.3348 13.3348 13.5680 13.5680 13.7044 13.7044 17.4291 17.4291 17.4510 17.4510 18.2691 18.2691 18.2727 18.2727 18.7723 18.7723 k = 0.2674 0.2674 0.2674 ( 2617 PWs) bands (ev): -68.0077 -68.0077 -40.4596 -40.4596 -36.8187 -36.8187 -32.3450 -32.3450 -32.3444 -32.3444 -17.1409 -17.1409 -16.4872 -16.4872 -16.4842 -16.4842 12.5036 12.5036 13.0122 13.0122 13.2908 13.2908 13.3758 13.3758 13.5891 13.5891 13.7111 13.7111 17.3992 17.3992 17.4275 17.4275 18.2814 18.2814 18.2881 18.2881 18.8752 18.8752 k = 0.2733 0.2733 0.2733 ( 2623 PWs) bands (ev): -68.0076 -68.0076 -40.4589 -40.4589 -36.8192 -36.8192 -32.3458 -32.3458 -32.3452 -32.3452 -17.1430 -17.1430 -16.4893 -16.4893 -16.4865 -16.4865 12.5380 12.5380 13.0075 13.0075 13.2716 13.2716 13.4224 13.4224 13.6138 13.6138 13.7269 13.7269 17.3658 17.3658 17.4001 17.4001 18.2982 18.2982 18.3076 18.3076 18.9822 18.9822 k = 0.2791 0.2791 0.2791 ( 2623 PWs) bands (ev): -68.0075 -68.0075 -40.4581 -40.4581 -36.8197 -36.8197 -32.3465 -32.3465 -32.3460 -32.3460 -17.1450 -17.1450 -16.4913 -16.4913 -16.4889 -16.4889 12.5636 12.5636 13.0000 13.0000 13.2519 13.2519 13.4710 13.4710 13.6417 13.6417 13.7519 13.7519 17.3293 17.3293 17.3690 17.3690 18.3191 18.3191 18.3307 18.3307 19.0930 19.0930 k = 0.2849 0.2849 0.2849 ( 2617 PWs) bands (ev): -68.0073 -68.0073 -40.4573 -40.4573 -36.8202 -36.8202 -32.3471 -32.3471 -32.3467 -32.3467 -17.1470 -17.1470 -16.4933 -16.4933 -16.4912 -16.4912 12.5810 12.5810 12.9902 12.9902 13.2318 13.2318 13.5208 13.5208 13.6723 13.6723 13.7858 13.7858 17.2900 17.2900 17.3348 17.3348 18.3437 18.3437 18.3570 18.3570 19.2076 19.2076 k = 0.2907 0.2907 0.2907 ( 2611 PWs) bands (ev): -68.0072 -68.0072 -40.4566 -40.4566 -36.8207 -36.8207 -32.3478 -32.3478 -32.3475 -32.3475 -17.1490 -17.1490 -16.4953 -16.4953 -16.4935 -16.4935 12.5916 12.5916 12.9787 12.9787 13.2114 13.2114 13.5713 13.5713 13.7050 13.7050 13.8279 13.8279 17.2484 17.2484 17.2976 17.2976 18.3715 18.3715 18.3860 18.3860 19.3257 19.3257 k = 0.2965 0.2965 0.2965 ( 2629 PWs) bands (ev): -68.0071 -68.0071 -40.4558 -40.4558 -36.8213 -36.8213 -32.3485 -32.3485 -32.3483 -32.3483 -17.1510 -17.1510 -16.4973 -16.4973 -16.4958 -16.4958 12.5964 12.5964 12.9659 12.9659 13.1909 13.1909 13.6217 13.6217 13.7395 13.7395 13.8775 13.8775 17.2047 17.2047 17.2578 17.2578 18.4020 18.4020 18.4175 18.4175 19.4473 19.4473 k = 0.3023 0.3023 0.3023 ( 2629 PWs) bands (ev): -68.0070 -68.0070 -40.4551 -40.4551 -36.8218 -36.8218 -32.3492 -32.3492 -32.3490 -32.3490 -17.1530 -17.1530 -16.4993 -16.4993 -16.4980 -16.4980 12.5969 12.5969 12.9522 12.9522 13.1704 13.1704 13.6715 13.6715 13.7755 13.7755 13.9336 13.9336 17.1591 17.1591 17.2158 17.2158 18.4350 18.4350 18.4509 18.4509 19.5721 19.5721 k = 0.3081 0.3081 0.3081 ( 2623 PWs) bands (ev): -68.0069 -68.0069 -40.4543 -40.4543 -36.8223 -36.8223 -32.3499 -32.3499 -32.3497 -32.3497 -17.1549 -17.1549 -16.5013 -16.5013 -16.5002 -16.5002 12.5943 12.5943 12.9378 12.9378 13.1500 13.1500 13.7205 13.7205 13.8126 13.8126 13.9951 13.9951 17.1119 17.1119 17.1718 17.1718 18.4700 18.4700 18.4860 18.4860 19.7001 19.7001 k = 0.3140 0.3140 0.3140 ( 2629 PWs) bands (ev): -68.0067 -68.0067 -40.4536 -40.4536 -36.8228 -36.8228 -32.3505 -32.3505 -32.3504 -32.3504 -17.1568 -17.1568 -16.5033 -16.5033 -16.5024 -16.5024 12.5896 12.5896 12.9230 12.9230 13.1300 13.1300 13.7685 13.7685 13.8507 13.8507 14.0607 14.0607 17.0632 17.0632 17.1259 17.1259 18.5066 18.5066 18.5226 18.5226 19.8310 19.8310 k = 0.3198 0.3198 0.3198 ( 2629 PWs) bands (ev): -68.0066 -68.0066 -40.4529 -40.4529 -36.8233 -36.8233 -32.3512 -32.3512 -32.3511 -32.3511 -17.1588 -17.1588 -16.5052 -16.5052 -16.5046 -16.5046 12.5837 12.5837 12.9080 12.9080 13.1103 13.1103 13.8156 13.8156 13.8895 13.8895 14.1294 14.1294 17.0134 17.0134 17.0785 17.0785 18.5447 18.5447 18.5602 18.5602 19.9650 19.9650 k = 0.3256 0.3256 0.3256 ( 2629 PWs) bands (ev): -68.0065 -68.0065 -40.4522 -40.4522 -36.8238 -36.8238 -32.3518 -32.3518 -32.3518 -32.3518 -17.1607 -17.1607 -16.5071 -16.5071 -16.5067 -16.5067 12.5771 12.5771 12.8929 12.8929 13.0911 13.0911 13.8620 13.8620 13.9291 13.9291 14.2000 14.2000 16.9624 16.9624 17.0297 17.0297 18.5837 18.5837 18.5988 18.5988 20.1017 20.1017 k = 0.3314 0.3314 0.3314 ( 2632 PWs) bands (ev): -68.0064 -68.0064 -40.4515 -40.4515 -36.8242 -36.8242 -32.3525 -32.3525 -32.3524 -32.3524 -17.1625 -17.1625 -16.5090 -16.5090 -16.5088 -16.5088 12.5705 12.5705 12.8780 12.8780 13.0726 13.0726 13.9079 13.9079 13.9693 13.9693 14.2716 14.2716 16.9104 16.9104 16.9796 16.9796 18.6236 18.6236 18.6380 18.6380 20.2412 20.2412 k = 0.3372 0.3372 0.3372 ( 2632 PWs) bands (ev): -68.0063 -68.0063 -40.4508 -40.4508 -36.8247 -36.8247 -32.3532 -32.3532 -32.3530 -32.3530 -17.1644 -17.1644 -16.5109 -16.5109 -16.5108 -16.5108 12.5644 12.5644 12.8632 12.8632 13.0547 13.0547 13.9533 13.9533 14.0100 14.0100 14.3436 14.3436 16.8575 16.8575 16.9285 16.9285 18.6640 18.6640 18.6777 18.6777 20.3834 20.3834 k = 0.3430 0.3430 0.3430 ( 2629 PWs) bands (ev): -68.0062 -68.0062 -40.4502 -40.4502 -36.8251 -36.8251 -32.3538 -32.3538 -32.3536 -32.3536 -17.1662 -17.1662 -16.5128 -16.5128 -16.5127 -16.5127 12.5589 12.5589 12.8487 12.8487 13.0374 13.0374 13.9985 13.9985 14.0511 14.0511 14.4151 14.4151 16.8039 16.8039 16.8763 16.8763 18.7048 18.7048 18.7176 18.7176 20.5282 20.5282 k = 0.3488 0.3488 0.3488 ( 2629 PWs) bands (ev): -68.0061 -68.0061 -40.4496 -40.4496 -36.8255 -36.8255 -32.3544 -32.3544 -32.3542 -32.3542 -17.1680 -17.1680 -16.5148 -16.5148 -16.5145 -16.5145 12.5543 12.5543 12.8345 12.8345 13.0210 13.0210 14.0434 14.0434 14.0927 14.0927 14.4858 14.4858 16.7497 16.7497 16.8232 16.8232 18.7456 18.7456 18.7576 18.7576 20.6755 20.6755 k = 0.3547 0.3547 0.3547 ( 2617 PWs) bands (ev): -68.0060 -68.0060 -40.4489 -40.4489 -36.8259 -36.8259 -32.3549 -32.3549 -32.3547 -32.3547 -17.1697 -17.1697 -16.5167 -16.5167 -16.5163 -16.5163 12.5508 12.5508 12.8207 12.8207 13.0053 13.0053 14.0882 14.0882 14.1346 14.1346 14.5552 14.5552 16.6948 16.6948 16.7693 16.7693 18.7864 18.7864 18.7975 18.7975 20.8253 20.8253 k = 0.3605 0.3605 0.3605 ( 2617 PWs) bands (ev): -68.0059 -68.0059 -40.4483 -40.4483 -36.8263 -36.8263 -32.3555 -32.3555 -32.3552 -32.3552 -17.1714 -17.1714 -16.5186 -16.5186 -16.5181 -16.5181 12.5485 12.5485 12.8073 12.8073 12.9904 12.9904 14.1330 14.1330 14.1769 14.1769 14.6228 14.6228 16.6394 16.6394 16.7148 16.7148 18.8268 18.8268 18.8370 18.8370 20.9775 20.9775 k = 0.3663 0.3663 0.3663 ( 2617 PWs) bands (ev): -68.0058 -68.0058 -40.4477 -40.4477 -36.8267 -36.8267 -32.3560 -32.3560 -32.3557 -32.3557 -17.1731 -17.1731 -16.5204 -16.5204 -16.5198 -16.5198 12.5474 12.5474 12.7945 12.7945 12.9763 12.9763 14.1777 14.1777 14.2197 14.2197 14.6884 14.6884 16.5836 16.5836 16.6596 16.6596 18.8668 18.8668 18.8761 18.8761 21.1321 21.1321 k = 0.3721 0.3721 0.3721 ( 2617 PWs) bands (ev): -68.0057 -68.0057 -40.4472 -40.4472 -36.8271 -36.8271 -32.3565 -32.3565 -32.3563 -32.3563 -17.1747 -17.1747 -16.5221 -16.5221 -16.5215 -16.5215 12.5475 12.5475 12.7821 12.7821 12.9631 12.9631 14.2224 14.2224 14.2627 14.2627 14.7518 14.7518 16.5274 16.5274 16.6038 16.6038 18.9062 18.9062 18.9146 18.9146 21.2890 21.2890 k = 0.3779 0.3779 0.3779 ( 2617 PWs) bands (ev): -68.0056 -68.0056 -40.4466 -40.4466 -36.8274 -36.8274 -32.3570 -32.3570 -32.3567 -32.3567 -17.1763 -17.1763 -16.5238 -16.5238 -16.5231 -16.5231 12.5489 12.5489 12.7702 12.7702 12.9507 12.9507 14.2672 14.2672 14.3061 14.3061 14.8126 14.8126 16.4709 16.4709 16.5476 16.5476 18.9448 18.9448 18.9523 18.9523 21.4482 21.4482 k = 0.3837 0.3837 0.3837 ( 2617 PWs) bands (ev): -68.0055 -68.0055 -40.4461 -40.4461 -36.8277 -36.8277 -32.3575 -32.3575 -32.3572 -32.3572 -17.1778 -17.1778 -16.5254 -16.5254 -16.5247 -16.5247 12.5515 12.5515 12.7590 12.7590 12.9392 12.9392 14.3121 14.3121 14.3499 14.3499 14.8707 14.8707 16.4142 16.4142 16.4910 16.4910 18.9824 18.9824 18.9891 18.9891 21.6096 21.6096 k = 0.3895 0.3895 0.3895 ( 2617 PWs) bands (ev): -68.0055 -68.0055 -40.4456 -40.4456 -36.8281 -36.8281 -32.3580 -32.3580 -32.3577 -32.3577 -17.1793 -17.1793 -16.5270 -16.5270 -16.5263 -16.5263 12.5551 12.5551 12.7482 12.7482 12.9285 12.9285 14.3572 14.3572 14.3941 14.3941 14.9259 14.9259 16.3573 16.3573 16.4341 16.4341 19.0189 19.0189 19.0249 19.0249 21.7730 21.7730 k = 0.3953 0.3953 0.3953 ( 2605 PWs) bands (ev): -68.0054 -68.0054 -40.4452 -40.4452 -36.8283 -36.8283 -32.3583 -32.3583 -32.3580 -32.3580 -17.1807 -17.1807 -16.5285 -16.5285 -16.5277 -16.5277 12.5597 12.5597 12.7381 12.7381 12.9187 12.9187 14.4024 14.4024 14.4387 14.4387 14.9781 14.9781 16.3003 16.3003 16.3769 16.3769 19.0543 19.0543 19.0595 19.0595 21.9385 21.9385 k = 0.4012 0.4012 0.4012 ( 2605 PWs) bands (ev): -68.0053 -68.0053 -40.4447 -40.4447 -36.8286 -36.8286 -32.3587 -32.3587 -32.3584 -32.3584 -17.1821 -17.1821 -16.5299 -16.5299 -16.5292 -16.5292 12.5652 12.5652 12.7285 12.7285 12.9098 12.9098 14.4478 14.4478 14.4836 14.4836 15.0272 15.0272 16.2432 16.2432 16.3195 16.3195 19.0882 19.0882 19.0928 19.0928 22.1058 22.1058 k = 0.4070 0.4070 0.4070 ( 2605 PWs) bands (ev): -68.0052 -68.0052 -40.4443 -40.4443 -36.8289 -36.8289 -32.3591 -32.3591 -32.3588 -32.3588 -17.1834 -17.1834 -16.5312 -16.5312 -16.5306 -16.5306 12.5714 12.5714 12.7194 12.7194 12.9017 12.9017 14.4934 14.4934 14.5289 14.5289 15.0731 15.0731 16.1862 16.1862 16.2620 16.2620 19.1208 19.1208 19.1247 19.1247 22.2749 22.2749 k = 0.4128 0.4128 0.4128 ( 2605 PWs) bands (ev): -68.0052 -68.0052 -40.4439 -40.4439 -36.8292 -36.8292 -32.3595 -32.3595 -32.3592 -32.3592 -17.1846 -17.1846 -16.5325 -16.5325 -16.5319 -16.5319 12.5781 12.5781 12.7110 12.7110 12.8945 12.8945 14.5392 14.5392 14.5747 14.5747 15.1159 15.1159 16.1292 16.1292 16.2044 16.2044 19.1518 19.1518 19.1551 19.1551 22.4455 22.4455 k = 0.4186 0.4186 0.4186 ( 2602 PWs) bands (ev): -68.0051 -68.0051 -40.4435 -40.4435 -36.8294 -36.8294 -32.3598 -32.3598 -32.3595 -32.3595 -17.1858 -17.1858 -16.5337 -16.5337 -16.5331 -16.5331 12.5852 12.5852 12.7031 12.7031 12.8882 12.8882 14.5854 14.5854 14.6208 14.6208 15.1553 15.1553 16.0724 16.0724 16.1469 16.1469 19.1811 19.1811 19.1839 19.1839 22.6171 22.6171 k = 0.4244 0.4244 0.4244 ( 2590 PWs) bands (ev): -68.0050 -68.0050 -40.4431 -40.4431 -36.8296 -36.8296 -32.3601 -32.3601 -32.3598 -32.3598 -17.1869 -17.1869 -16.5349 -16.5349 -16.5343 -16.5343 12.5926 12.5926 12.6958 12.6958 12.8828 12.8828 14.6318 14.6318 14.6673 14.6673 15.1915 15.1915 16.0157 16.0157 16.0894 16.0894 19.2088 19.2088 19.2111 19.2111 22.7894 22.7894 k = 0.4302 0.4302 0.4302 ( 2590 PWs) bands (ev): -68.0050 -68.0050 -40.4428 -40.4428 -36.8298 -36.8298 -32.3603 -32.3603 -32.3601 -32.3601 -17.1879 -17.1879 -16.5359 -16.5359 -16.5354 -16.5354 12.6000 12.6000 12.6891 12.6891 12.8781 12.8781 14.6785 14.6785 14.7142 14.7142 15.2245 15.2245 15.9594 15.9594 16.0321 16.0321 19.2346 19.2346 19.2365 19.2365 22.9615 22.9615 k = 0.4360 0.4360 0.4360 ( 2590 PWs) bands (ev): -68.0049 -68.0049 -40.4425 -40.4425 -36.8300 -36.8300 -32.3606 -32.3606 -32.3604 -32.3604 -17.1889 -17.1889 -16.5369 -16.5369 -16.5365 -16.5365 12.6074 12.6074 12.6830 12.6830 12.8744 12.8744 14.7255 14.7255 14.7614 14.7614 15.2542 15.2542 15.9034 15.9034 15.9751 15.9751 19.2586 19.2586 19.2602 19.2602 23.1320 23.1320 k = 0.4419 0.4419 0.4419 ( 2584 PWs) bands (ev): -68.0049 -68.0049 -40.4422 -40.4422 -36.8301 -36.8301 -32.3608 -32.3608 -32.3607 -32.3607 -17.1898 -17.1898 -16.5378 -16.5378 -16.5374 -16.5374 12.6144 12.6144 12.6774 12.6774 12.8713 12.8713 14.7729 14.7729 14.8090 14.8090 15.2807 15.2807 15.8479 15.8479 15.9183 15.9183 19.2806 19.2806 19.2819 19.2819 23.2987 23.2987 k = 0.4477 0.4477 0.4477 ( 2578 PWs) bands (ev): -68.0048 -68.0048 -40.4420 -40.4420 -36.8302 -36.8302 -32.3609 -32.3609 -32.3609 -32.3609 -17.1906 -17.1906 -16.5386 -16.5386 -16.5383 -16.5383 12.6211 12.6211 12.6723 12.6723 12.8690 12.8690 14.8205 14.8205 14.8568 14.8568 15.3040 15.3040 15.7930 15.7930 15.8620 15.8620 19.3007 19.3007 19.3017 19.3017 23.4573 23.4573 k = 0.4535 0.4535 0.4535 ( 2578 PWs) bands (ev): -68.0048 -68.0048 -40.4417 -40.4417 -36.8304 -36.8304 -32.3611 -32.3611 -32.3611 -32.3611 -17.1913 -17.1913 -16.5393 -16.5393 -16.5391 -16.5391 12.6272 12.6272 12.6678 12.6678 12.8674 12.8674 14.8684 14.8684 14.9048 14.9048 15.3240 15.3240 15.7389 15.7389 15.8063 15.8063 19.3188 19.3188 19.3195 19.3195 23.6004 23.6004 k = 0.4593 0.4593 0.4593 ( 2578 PWs) bands (ev): -68.0048 -68.0048 -40.4415 -40.4415 -36.8305 -36.8305 -32.3613 -32.3613 -32.3613 -32.3613 -17.1919 -17.1919 -16.5400 -16.5400 -16.5398 -16.5398 12.6328 12.6328 12.6639 12.6639 12.8663 12.8663 14.9166 14.9166 14.9529 14.9529 15.3406 15.3406 15.6859 15.6859 15.7513 15.7513 19.3348 19.3348 19.3354 19.3354 23.7170 23.7170 k = 0.4651 0.4651 0.4651 ( 2578 PWs) bands (ev): -68.0047 -68.0047 -40.4414 -40.4414 -36.8306 -36.8306 -32.3614 -32.3614 -32.3614 -32.3614 -17.1925 -17.1925 -16.5405 -16.5405 -16.5404 -16.5404 12.6376 12.6376 12.6605 12.6605 12.8657 12.8657 14.9649 14.9649 15.0008 15.0008 15.3535 15.3535 15.6346 15.6346 15.6973 15.6973 19.3487 19.3487 19.3491 19.3491 23.7973 23.7973 k = 0.4709 0.4709 0.4709 ( 2578 PWs) bands (ev): -68.0047 -68.0047 -40.4412 -40.4412 -36.8307 -36.8307 -32.3616 -32.3616 -32.3615 -32.3615 -17.1930 -17.1930 -16.5410 -16.5410 -16.5409 -16.5409 12.6417 12.6417 12.6576 12.6576 12.8655 12.8655 15.0133 15.0133 15.0482 15.0482 15.3620 15.3620 15.5858 15.5858 15.6448 15.6448 19.3606 19.3606 19.3608 19.3608 23.8428 23.8428 k = 0.4767 0.4767 0.4767 ( 2590 PWs) bands (ev): -68.0047 -68.0047 -40.4411 -40.4411 -36.8309 -36.8309 -32.3618 -32.3618 -32.3617 -32.3617 -17.1934 -17.1934 -16.5414 -16.5414 -16.5413 -16.5413 12.6451 12.6451 12.6553 12.6553 12.8655 12.8655 15.0615 15.0615 15.0943 15.0943 15.3646 15.3646 15.5415 15.5415 15.5943 15.5943 19.3703 19.3703 19.3704 19.3704 23.8649 23.8649 k = 0.4826 0.4826 0.4826 ( 2599 PWs) bands (ev): -68.0047 -68.0047 -40.4410 -40.4410 -36.8310 -36.8310 -32.3619 -32.3619 -32.3618 -32.3618 -17.1937 -17.1937 -16.5417 -16.5417 -16.5417 -16.5417 12.6478 12.6478 12.6534 12.6534 12.8656 12.8656 15.1091 15.1091 15.1380 15.1380 15.3585 15.3585 15.5050 15.5050 15.5472 15.5472 19.3778 19.3778 19.3779 19.3779 23.8744 23.8744 k = 0.4884 0.4884 0.4884 ( 2608 PWs) bands (ev): -68.0047 -68.0047 -40.4409 -40.4409 -36.8310 -36.8310 -32.3619 -32.3619 -32.3619 -32.3619 -17.1939 -17.1939 -16.5419 -16.5419 -16.5419 -16.5419 12.6496 12.6496 12.6521 12.6521 12.8658 12.8658 15.1550 15.1550 15.1768 15.1768 15.3408 15.3408 15.4802 15.4802 15.5060 15.5060 19.3832 19.3832 19.3833 19.3833 23.8779 23.8779 k = 0.4942 0.4942 0.4942 ( 2608 PWs) bands (ev): -68.0047 -68.0047 -40.4409 -40.4409 -36.8311 -36.8311 -32.3620 -32.3620 -32.3620 -32.3620 -17.1941 -17.1941 -16.5421 -16.5421 -16.5421 -16.5421 12.6507 12.6507 12.6514 12.6514 12.8659 12.8659 15.1958 15.1958 15.2056 15.2056 15.3146 15.3146 15.4676 15.4676 15.4757 15.4757 19.3865 19.3865 19.3865 19.3865 23.8789 23.8789 k = 0.5000 0.5000 0.5000 ( 2608 PWs) bands (ev): -68.0047 -68.0047 -40.4409 -40.4409 -36.8311 -36.8311 -32.3620 -32.3620 -32.3620 -32.3620 -17.1941 -17.1941 -16.5421 -16.5421 -16.5421 -16.5421 12.6511 12.6511 12.6511 12.6511 12.8659 12.8659 15.2168 15.2168 15.2168 15.2168 15.2979 15.2979 15.4641 15.4641 15.4641 15.4641 19.3876 19.3876 19.3876 19.3876 23.8790 23.8790 k = 0.5000 0.5000 0.5000 ( 2608 PWs) bands (ev): -68.0047 -68.0047 -40.4409 -40.4409 -36.8311 -36.8311 -32.3620 -32.3620 -32.3620 -32.3620 -17.1941 -17.1941 -16.5421 -16.5421 -16.5421 -16.5421 12.6511 12.6511 12.6511 12.6511 12.8659 12.8659 15.2168 15.2168 15.2168 15.2168 15.2979 15.2979 15.4641 15.4641 15.4641 15.4641 19.3876 19.3876 19.3876 19.3876 23.8790 23.8790 k = 0.4929 0.5000 0.4929 ( 2608 PWs) bands (ev): -68.0047 -68.0047 -40.4409 -40.4409 -36.8311 -36.8311 -32.3620 -32.3620 -32.3620 -32.3620 -17.1941 -17.1941 -16.5421 -16.5421 -16.5420 -16.5420 12.6507 12.6507 12.6514 12.6514 12.8659 12.8659 15.1923 15.1923 15.2094 15.2094 15.3143 15.3143 15.4668 15.4668 15.4766 15.4766 19.3860 19.3860 19.3870 19.3870 23.8789 23.8789 k = 0.4857 0.5000 0.4857 ( 2608 PWs) bands (ev): -68.0047 -68.0047 -40.4409 -40.4409 -36.8310 -36.8310 -32.3620 -32.3620 -32.3619 -32.3619 -17.1939 -17.1939 -16.5420 -16.5420 -16.5418 -16.5418 12.6495 12.6495 12.6523 12.6523 12.8658 12.8658 15.1438 15.1438 15.1894 15.1894 15.3403 15.3403 15.4750 15.4750 15.5103 15.5103 19.3812 19.3812 19.3853 19.3853 23.8780 23.8780 k = 0.4786 0.5000 0.4786 ( 2602 PWs) bands (ev): -68.0047 -68.0047 -40.4410 -40.4410 -36.8310 -36.8310 -32.3619 -32.3619 -32.3618 -32.3618 -17.1937 -17.1937 -16.5419 -16.5419 -16.5415 -16.5415 12.6474 12.6474 12.6537 12.6537 12.8656 12.8656 15.0881 15.0881 15.1609 15.1609 15.3634 15.3634 15.4880 15.4880 15.5574 15.5574 19.3732 19.3732 19.3824 19.3824 23.8754 23.8754 k = 0.4714 0.5000 0.4714 ( 2590 PWs) bands (ev): -68.0047 -68.0047 -40.4411 -40.4411 -36.8309 -36.8309 -32.3619 -32.3619 -32.3616 -32.3616 -17.1934 -17.1934 -16.5418 -16.5418 -16.5410 -16.5410 12.6445 12.6445 12.6558 12.6558 12.8655 12.8655 15.0294 15.0294 15.1269 15.1269 15.3836 15.3836 15.5047 15.5047 15.6118 15.6118 19.3621 19.3621 19.3785 19.3785 23.8688 23.8688 k = 0.4643 0.5000 0.4643 ( 2578 PWs) bands (ev): -68.0047 -68.0047 -40.4412 -40.4412 -36.8307 -36.8307 -32.3618 -32.3618 -32.3613 -32.3613 -17.1930 -17.1930 -16.5416 -16.5416 -16.5403 -16.5403 12.6407 12.6407 12.6584 12.6584 12.8656 12.8656 14.9693 14.9693 15.0889 15.0889 15.4020 15.4020 15.5241 15.5241 15.6701 15.6701 19.3480 19.3480 19.3733 19.3733 23.8548 23.8548 k = 0.4571 0.5000 0.4571 ( 2574 PWs) bands (ev): -68.0047 -68.0047 -40.4414 -40.4414 -36.8306 -36.8306 -32.3618 -32.3618 -32.3611 -32.3611 -17.1925 -17.1925 -16.5414 -16.5414 -16.5395 -16.5395 12.6360 12.6360 12.6615 12.6615 12.8659 12.8659 14.9086 14.9086 15.0480 15.0480 15.4200 15.4200 15.5449 15.5449 15.7305 15.7305 19.3307 19.3307 19.3671 19.3671 23.8286 23.8286 k = 0.4500 0.5000 0.4500 ( 2574 PWs) bands (ev): -68.0048 -68.0048 -40.4415 -40.4415 -36.8305 -36.8305 -32.3617 -32.3617 -32.3608 -32.3608 -17.1919 -17.1919 -16.5412 -16.5412 -16.5386 -16.5386 12.6304 12.6304 12.6653 12.6653 12.8666 12.8666 14.8477 14.8477 15.0045 15.0045 15.4381 15.4381 15.5665 15.5665 15.7919 15.7919 19.3105 19.3105 19.3598 19.3598 23.7845 23.7845 k = 0.4429 0.5000 0.4429 ( 2574 PWs) bands (ev): -68.0048 -68.0048 -40.4417 -40.4417 -36.8304 -36.8304 -32.3617 -32.3617 -32.3605 -32.3605 -17.1913 -17.1913 -16.5409 -16.5409 -16.5375 -16.5375 12.6238 12.6238 12.6696 12.6696 12.8679 12.8679 14.7869 14.7869 14.9589 14.9589 15.4570 15.4570 15.5883 15.5883 15.8537 15.8537 19.2874 19.2874 19.3515 19.3515 23.7189 23.7189 k = 0.4357 0.5000 0.4357 ( 2574 PWs) bands (ev): -68.0048 -68.0048 -40.4420 -40.4420 -36.8302 -36.8302 -32.3616 -32.3616 -32.3602 -32.3602 -17.1906 -17.1906 -16.5406 -16.5406 -16.5363 -16.5363 12.6163 12.6163 12.6745 12.6745 12.8699 12.8699 14.7265 14.7265 14.9113 14.9113 15.4766 15.4766 15.6100 15.6100 15.9157 15.9157 19.2615 19.2615 19.3421 19.3421 23.6321 23.6321 k = 0.4286 0.5000 0.4286 ( 2578 PWs) bands (ev): -68.0049 -68.0049 -40.4422 -40.4422 -36.8301 -36.8301 -32.3616 -32.3616 -32.3598 -32.3598 -17.1898 -17.1898 -16.5402 -16.5402 -16.5350 -16.5350 12.6079 12.6079 12.6800 12.6800 12.8725 12.8725 14.6665 14.6665 14.8619 14.8619 15.4971 15.4971 15.6313 15.6313 15.9776 15.9776 19.2328 19.2328 19.3317 19.3317 23.5283 23.5283 k = 0.4214 0.5000 0.4214 ( 2586 PWs) bands (ev): -68.0049 -68.0049 -40.4425 -40.4425 -36.8299 -36.8299 -32.3615 -32.3615 -32.3594 -32.3594 -17.1889 -17.1889 -16.5398 -16.5398 -16.5335 -16.5335 12.5987 12.5987 12.6860 12.6860 12.8760 12.8760 14.6071 14.6071 14.8109 14.8109 15.5184 15.5184 15.6522 15.6522 16.0391 16.0391 19.2016 19.2016 19.3203 19.3203 23.4124 23.4124 k = 0.4143 0.5000 0.4143 ( 2598 PWs) bands (ev): -68.0050 -68.0050 -40.4428 -40.4428 -36.8298 -36.8298 -32.3615 -32.3615 -32.3590 -32.3590 -17.1879 -17.1879 -16.5394 -16.5394 -16.5319 -16.5319 12.5888 12.5888 12.6926 12.6926 12.8804 12.8804 14.5483 14.5483 14.7584 14.7584 15.5403 15.5403 15.6726 15.6726 16.1001 16.1001 19.1677 19.1677 19.3080 19.3080 23.2886 23.2886 k = 0.4071 0.5000 0.4071 ( 2602 PWs) bands (ev): -68.0050 -68.0050 -40.4431 -40.4431 -36.8296 -36.8296 -32.3614 -32.3614 -32.3585 -32.3585 -17.1869 -17.1869 -16.5389 -16.5389 -16.5302 -16.5302 12.5784 12.5784 12.6997 12.6997 12.8858 12.8858 14.4902 14.4902 14.7046 14.7046 15.5628 15.5628 15.6924 15.6924 16.1604 16.1604 19.1315 19.1315 19.2948 19.2948 23.1599 23.1599 k = 0.4000 0.5000 0.4000 ( 2614 PWs) bands (ev): -68.0051 -68.0051 -40.4435 -40.4435 -36.8295 -36.8295 -32.3614 -32.3614 -32.3581 -32.3581 -17.1858 -17.1858 -16.5385 -16.5385 -16.5283 -16.5283 12.5674 12.5674 12.7074 12.7074 12.8921 12.8921 14.4330 14.4330 14.6494 14.6494 15.5856 15.5856 15.7118 15.7118 16.2200 16.2200 19.0929 19.0929 19.2808 19.2808 23.0284 23.0284 k = 0.3929 0.5000 0.3929 ( 2610 PWs) bands (ev): -68.0052 -68.0052 -40.4438 -40.4438 -36.8292 -36.8292 -32.3613 -32.3613 -32.3575 -32.3575 -17.1847 -17.1847 -16.5379 -16.5379 -16.5264 -16.5264 12.5562 12.5562 12.7156 12.7156 12.8993 12.8993 14.3766 14.3766 14.5932 14.5932 15.6086 15.6086 15.7306 15.7306 16.2788 16.2788 19.0521 19.0521 19.2661 19.2661 22.8952 22.8952 k = 0.3857 0.5000 0.3857 ( 2614 PWs) bands (ev): -68.0052 -68.0052 -40.4442 -40.4442 -36.8290 -36.8290 -32.3612 -32.3612 -32.3569 -32.3569 -17.1835 -17.1835 -16.5374 -16.5374 -16.5243 -16.5243 12.5447 12.5447 12.7244 12.7244 12.9076 12.9076 14.3211 14.3211 14.5359 14.5359 15.6314 15.6314 15.7488 15.7488 16.3366 16.3366 19.0092 19.0092 19.2507 19.2507 22.7613 22.7613 k = 0.3786 0.5000 0.3786 ( 2610 PWs) bands (ev): -68.0053 -68.0053 -40.4446 -40.4446 -36.8287 -36.8287 -32.3611 -32.3611 -32.3562 -32.3562 -17.1823 -17.1823 -16.5369 -16.5369 -16.5222 -16.5222 12.5331 12.5331 12.7337 12.7337 12.9169 12.9169 14.2666 14.2666 14.4777 14.4777 15.6540 15.6540 15.7665 15.7665 16.3933 16.3933 18.9643 18.9643 19.2347 19.2347 22.6273 22.6273 k = 0.3714 0.5000 0.3714 ( 2610 PWs) bands (ev): -68.0054 -68.0054 -40.4451 -40.4451 -36.8284 -36.8284 -32.3610 -32.3610 -32.3556 -32.3556 -17.1810 -17.1810 -16.5363 -16.5363 -16.5199 -16.5199 12.5217 12.5217 12.7436 12.7436 12.9271 12.9271 14.2131 14.2131 14.4187 14.4187 15.6760 15.6760 15.7837 15.7837 16.4489 16.4489 18.9174 18.9174 19.2182 19.2182 22.4939 22.4939 k = 0.3643 0.5000 0.3643 ( 2608 PWs) bands (ev): -68.0054 -68.0054 -40.4455 -40.4455 -36.8281 -36.8281 -32.3609 -32.3609 -32.3548 -32.3548 -17.1796 -17.1796 -16.5357 -16.5357 -16.5175 -16.5175 12.5104 12.5104 12.7539 12.7539 12.9384 12.9384 14.1607 14.1607 14.3591 14.3591 15.6972 15.6972 15.8003 15.8003 16.5033 16.5033 18.8688 18.8688 19.2013 19.2013 22.3612 22.3612 k = 0.3571 0.5000 0.3571 ( 2608 PWs) bands (ev): -68.0055 -68.0055 -40.4460 -40.4460 -36.8278 -36.8278 -32.3607 -32.3607 -32.3541 -32.3541 -17.1782 -17.1782 -16.5350 -16.5350 -16.5151 -16.5151 12.4995 12.4995 12.7648 12.7648 12.9506 12.9506 14.1094 14.1094 14.2990 14.2990 15.7175 15.7175 15.8163 15.8163 16.5564 16.5564 18.8184 18.8184 19.1841 19.1841 22.2295 22.2295 k = 0.3500 0.5000 0.3500 ( 2608 PWs) bands (ev): -68.0056 -68.0056 -40.4465 -40.4465 -36.8275 -36.8275 -32.3606 -32.3606 -32.3534 -32.3534 -17.1768 -17.1768 -16.5344 -16.5344 -16.5126 -16.5126 12.4891 12.4891 12.7762 12.7762 12.9637 12.9637 14.0592 14.0592 14.2386 14.2386 15.7365 15.7365 15.8319 15.8319 16.6081 16.6081 18.7665 18.7665 19.1667 19.1667 22.0990 22.0990 k = 0.3429 0.5000 0.3429 ( 2612 PWs) bands (ev): -68.0057 -68.0057 -40.4470 -40.4470 -36.8271 -36.8271 -32.3605 -32.3605 -32.3526 -32.3526 -17.1753 -17.1753 -16.5338 -16.5338 -16.5100 -16.5100 12.4793 12.4793 12.7882 12.7882 12.9778 12.9778 14.0102 14.0102 14.1778 14.1778 15.7540 15.7540 15.8470 15.8470 16.6584 16.6584 18.7130 18.7130 19.1492 19.1492 21.9696 21.9696 k = 0.3357 0.5000 0.3357 ( 2620 PWs) bands (ev): -68.0058 -68.0058 -40.4476 -40.4476 -36.8268 -36.8268 -32.3603 -32.3603 -32.3518 -32.3518 -17.1739 -17.1739 -16.5331 -16.5331 -16.5073 -16.5073 12.4701 12.4701 12.8006 12.8006 12.9928 12.9928 13.9624 13.9624 14.1170 14.1170 15.7697 15.7697 15.8617 15.8617 16.7072 16.7072 18.6581 18.6581 19.1318 19.1318 21.8413 21.8413 k = 0.3286 0.5000 0.3286 ( 2620 PWs) bands (ev): -68.0059 -68.0059 -40.4481 -40.4481 -36.8265 -36.8265 -32.3602 -32.3602 -32.3510 -32.3510 -17.1724 -17.1724 -16.5324 -16.5324 -16.5045 -16.5045 12.4617 12.4617 12.8136 12.8136 13.0086 13.0086 13.9159 13.9159 14.0563 14.0563 15.7831 15.7831 15.8761 15.8761 16.7545 16.7545 18.6019 18.6019 19.1145 19.1145 21.7139 21.7139 k = 0.3214 0.5000 0.3214 ( 2620 PWs) bands (ev): -68.0060 -68.0060 -40.4487 -40.4487 -36.8261 -36.8261 -32.3600 -32.3600 -32.3501 -32.3501 -17.1708 -17.1708 -16.5317 -16.5317 -16.5017 -16.5017 12.4542 12.4542 12.8271 12.8271 13.0252 13.0252 13.8707 13.8707 13.9958 13.9958 15.7940 15.7940 15.8905 15.8905 16.8002 16.8002 18.5444 18.5444 19.0975 19.0975 21.5874 21.5874 k = 0.3143 0.5000 0.3143 ( 2618 PWs) bands (ev): -68.0060 -68.0060 -40.4493 -40.4493 -36.8257 -36.8257 -32.3598 -32.3598 -32.3493 -32.3493 -17.1693 -17.1693 -16.5310 -16.5310 -16.4989 -16.4989 12.4477 12.4477 12.8410 12.8410 13.0424 13.0424 13.8268 13.8268 13.9358 13.9358 15.8020 15.8020 15.9049 15.9049 16.8442 16.8442 18.4858 18.4858 19.0809 19.0809 21.4617 21.4617 k = 0.3071 0.5000 0.3071 ( 2618 PWs) bands (ev): -68.0061 -68.0061 -40.4498 -40.4498 -36.8253 -36.8253 -32.3596 -32.3596 -32.3484 -32.3484 -17.1677 -17.1677 -16.5303 -16.5303 -16.4959 -16.4959 12.4422 12.4422 12.8554 12.8554 13.0602 13.0602 13.7842 13.7842 13.8766 13.8766 15.8067 15.8067 15.9196 15.9196 16.8865 16.8865 18.4262 18.4262 19.0648 19.0648 21.3366 21.3366 k = 0.3000 0.5000 0.3000 ( 2606 PWs) bands (ev): -68.0062 -68.0062 -40.4504 -40.4504 -36.8249 -36.8249 -32.3594 -32.3594 -32.3474 -32.3474 -17.1662 -17.1662 -16.5296 -16.5296 -16.4930 -16.4930 12.4379 12.4379 12.8704 12.8704 13.0783 13.0783 13.7429 13.7429 13.8185 13.8185 15.8080 15.8080 15.9344 15.9344 16.9272 16.9272 18.3656 18.3656 19.0493 19.0493 21.2123 21.2123 k = 0.2929 0.5000 0.2929 ( 2606 PWs) bands (ev): -68.0063 -68.0063 -40.4511 -40.4511 -36.8245 -36.8245 -32.3592 -32.3592 -32.3465 -32.3465 -17.1646 -17.1646 -16.5288 -16.5288 -16.4900 -16.4900 12.4347 12.4347 12.8857 12.8857 13.0966 13.0966 13.7023 13.7023 13.7624 13.7624 15.8056 15.8056 15.9495 15.9495 16.9661 16.9661 18.3041 18.3041 19.0344 19.0344 21.0887 21.0887 k = 0.2857 0.5000 0.2857 ( 2614 PWs) bands (ev): -68.0064 -68.0064 -40.4517 -40.4517 -36.8241 -36.8241 -32.3590 -32.3590 -32.3456 -32.3456 -17.1631 -17.1631 -16.5281 -16.5281 -16.4870 -16.4870 12.4328 12.4328 12.9015 12.9015 13.1146 13.1146 13.6617 13.6617 13.7097 13.7097 15.7996 15.7996 15.9648 15.9648 17.0033 17.0033 18.2417 18.2417 19.0202 19.0202 20.9658 20.9658 k = 0.2786 0.5000 0.2786 ( 2610 PWs) bands (ev): -68.0065 -68.0065 -40.4523 -40.4523 -36.8236 -36.8236 -32.3588 -32.3588 -32.3446 -32.3446 -17.1616 -17.1616 -16.5274 -16.5274 -16.4839 -16.4839 12.4322 12.4322 12.9176 12.9176 13.1318 13.1318 13.6190 13.6190 13.6631 13.6631 15.7898 15.7898 15.9802 15.9802 17.0387 17.0387 18.1787 18.1787 19.0069 19.0069 20.8436 20.8436 k = 0.2714 0.5000 0.2714 ( 2610 PWs) bands (ev): -68.0066 -68.0066 -40.4530 -40.4530 -36.8232 -36.8232 -32.3585 -32.3585 -32.3436 -32.3436 -17.1600 -17.1600 -16.5267 -16.5267 -16.4809 -16.4809 12.4329 12.4329 12.9340 12.9340 13.1473 13.1473 13.5730 13.5730 13.6246 13.6246 15.7763 15.7763 15.9957 15.9957 17.0723 17.0723 18.1150 18.1150 18.9942 18.9942 20.7223 20.7223 k = 0.2643 0.5000 0.2643 ( 2610 PWs) bands (ev): -68.0067 -68.0067 -40.4536 -40.4536 -36.8228 -36.8228 -32.3583 -32.3583 -32.3427 -32.3427 -17.1585 -17.1585 -16.5259 -16.5259 -16.4778 -16.4778 12.4350 12.4350 12.9506 12.9506 13.1601 13.1601 13.5258 13.5258 13.5937 13.5937 15.7591 15.7591 16.0113 16.0113 17.1042 17.1042 18.0508 18.0508 18.9824 18.9824 20.6018 20.6018 k = 0.2571 0.5000 0.2571 ( 2614 PWs) bands (ev): -68.0068 -68.0068 -40.4543 -40.4543 -36.8223 -36.8223 -32.3580 -32.3580 -32.3417 -32.3417 -17.1570 -17.1570 -16.5252 -16.5252 -16.4748 -16.4748 12.4385 12.4385 12.9673 12.9673 13.1686 13.1686 13.4802 13.4802 13.5692 13.5692 15.7381 15.7381 16.0268 16.0268 17.1344 17.1344 17.9860 17.9860 18.9713 18.9713 20.4821 20.4821 k = 0.2500 0.5000 0.2500 ( 2614 PWs) bands (ev): -68.0069 -68.0069 -40.4549 -40.4549 -36.8219 -36.8219 -32.3578 -32.3578 -32.3408 -32.3408 -17.1555 -17.1555 -16.5245 -16.5245 -16.4717 -16.4717 12.4435 12.4435 12.9839 12.9839 13.1705 13.1705 13.4384 13.4384 13.5515 13.5515 15.7134 15.7134 16.0424 16.0424 17.1628 17.1628 17.9209 17.9209 18.9608 18.9608 20.3634 20.3634 k = 0.2429 0.5000 0.2429 ( 2614 PWs) bands (ev): -68.0070 -68.0070 -40.4556 -40.4556 -36.8215 -36.8215 -32.3575 -32.3575 -32.3398 -32.3398 -17.1541 -17.1541 -16.5238 -16.5238 -16.4686 -16.4686 12.4500 12.4500 13.0001 13.0001 13.1638 13.1638 13.4021 13.4021 13.5413 13.5413 15.6851 15.6851 16.0580 16.0580 17.1894 17.1894 17.8554 17.8554 18.9510 18.9510 20.2455 20.2455 k = 0.2357 0.5000 0.2357 ( 2618 PWs) bands (ev): -68.0071 -68.0071 -40.4562 -40.4562 -36.8210 -36.8210 -32.3573 -32.3573 -32.3388 -32.3388 -17.1527 -17.1527 -16.5231 -16.5231 -16.4656 -16.4656 12.4579 12.4579 13.0154 13.0154 13.1475 13.1475 13.3721 13.3721 13.5392 13.5392 15.6534 15.6534 16.0736 16.0736 17.2144 17.2144 17.7897 17.7897 18.9416 18.9416 20.1286 20.1286 k = 0.2286 0.5000 0.2286 ( 2622 PWs) bands (ev): -68.0072 -68.0072 -40.4569 -40.4569 -36.8206 -36.8206 -32.3570 -32.3570 -32.3379 -32.3379 -17.1513 -17.1513 -16.5224 -16.5224 -16.4626 -16.4626 12.4673 12.4673 13.0287 13.0287 13.1229 13.1229 13.3483 13.3483 13.5453 13.5453 15.6182 15.6182 16.0890 16.0890 17.2377 17.2377 17.7239 17.7239 18.9326 18.9326 20.0127 20.0127 k = 0.2214 0.5000 0.2214 ( 2622 PWs) bands (ev): -68.0073 -68.0073 -40.4576 -40.4576 -36.8201 -36.8201 -32.3567 -32.3567 -32.3369 -32.3369 -17.1499 -17.1499 -16.5217 -16.5217 -16.4596 -16.4596 12.4781 12.4781 13.0370 13.0370 13.0949 13.0949 13.3296 13.3296 13.5588 13.5588 15.5798 15.5798 16.1045 16.1045 17.2594 17.2594 17.6580 17.6580 18.9238 18.9238 19.8977 19.8977 k = 0.2143 0.5000 0.2143 ( 2616 PWs) bands (ev): -68.0074 -68.0074 -40.4582 -40.4582 -36.8197 -36.8197 -32.3565 -32.3565 -32.3359 -32.3359 -17.1486 -17.1486 -16.5210 -16.5210 -16.4566 -16.4566 12.4904 12.4904 13.0286 13.0286 13.0768 13.0768 13.3157 13.3157 13.5784 13.5784 15.5383 15.5383 16.1199 16.1199 17.2795 17.2795 17.5921 17.5921 18.9150 18.9150 19.7839 19.7839 k = 0.2071 0.5000 0.2071 ( 2620 PWs) bands (ev): -68.0075 -68.0075 -40.4589 -40.4589 -36.8192 -36.8192 -32.3562 -32.3562 -32.3349 -32.3349 -17.1473 -17.1473 -16.5204 -16.5204 -16.4537 -16.4537 12.5040 12.5040 12.9978 12.9978 13.0756 13.0756 13.3068 13.3068 13.6029 13.6029 15.4939 15.4939 16.1352 16.1352 17.2981 17.2981 17.5264 17.5264 18.9062 18.9062 19.6711 19.6711 k = 0.2000 0.5000 0.2000 ( 2620 PWs) bands (ev): -68.0076 -68.0076 -40.4595 -40.4595 -36.8188 -36.8188 -32.3559 -32.3559 -32.3340 -32.3340 -17.1461 -17.1461 -16.5197 -16.5197 -16.4508 -16.4508 12.5188 12.5188 12.9596 12.9596 13.0770 13.0770 13.3031 13.3031 13.6311 13.6311 15.4467 15.4467 16.1505 16.1505 17.3151 17.3151 17.4609 17.4609 18.8971 18.8971 19.5595 19.5595 k = 0.1929 0.5000 0.1929 ( 2612 PWs) bands (ev): -68.0077 -68.0077 -40.4601 -40.4601 -36.8183 -36.8183 -32.3556 -32.3556 -32.3330 -32.3330 -17.1449 -17.1449 -16.5191 -16.5191 -16.4479 -16.4479 12.5346 12.5346 12.9201 12.9201 13.0757 13.0757 13.3052 13.3052 13.6623 13.6623 15.3970 15.3970 16.1657 16.1657 17.3306 17.3306 17.3958 17.3958 18.8876 18.8876 19.4491 19.4491 k = 0.1857 0.5000 0.1857 ( 2608 PWs) bands (ev): -68.0078 -68.0078 -40.4608 -40.4608 -36.8179 -36.8179 -32.3553 -32.3553 -32.3321 -32.3321 -17.1437 -17.1437 -16.5185 -16.5185 -16.4452 -16.4452 12.5512 12.5512 12.8811 12.8811 13.0709 13.0709 13.3126 13.3126 13.6958 13.6958 15.3450 15.3450 16.1809 16.1809 17.3290 17.3290 17.3469 17.3469 18.8776 18.8776 19.3401 19.3401 k = 0.1786 0.5000 0.1786 ( 2620 PWs) bands (ev): -68.0079 -68.0079 -40.4614 -40.4614 -36.8175 -36.8175 -32.3551 -32.3551 -32.3312 -32.3312 -17.1426 -17.1426 -16.5178 -16.5178 -16.4424 -16.4424 12.5678 12.5678 12.8440 12.8440 13.0629 13.0629 13.3248 13.3248 13.7312 13.7312 15.2908 15.2908 16.1960 16.1960 17.2659 17.2659 17.3586 17.3586 18.8670 18.8670 19.2323 19.2323 k = 0.1714 0.5000 0.1714 ( 2620 PWs) bands (ev): -68.0080 -68.0080 -40.4620 -40.4620 -36.8171 -36.8171 -32.3548 -32.3548 -32.3303 -32.3303 -17.1415 -17.1415 -16.5173 -16.5173 -16.4398 -16.4398 12.5833 12.5833 12.8103 12.8103 13.0527 13.0527 13.3406 13.3406 13.7681 13.7681 15.2346 15.2346 16.2110 16.2110 17.2023 17.2023 17.3702 17.3702 18.8556 18.8556 19.1261 19.1261 k = 0.1643 0.5000 0.1643 ( 2620 PWs) bands (ev): -68.0081 -68.0081 -40.4626 -40.4626 -36.8166 -36.8166 -32.3545 -32.3545 -32.3294 -32.3294 -17.1405 -17.1405 -16.5167 -16.5167 -16.4372 -16.4372 12.5956 12.5956 12.7824 12.7824 13.0411 13.0411 13.3593 13.3593 13.8063 13.8063 15.1768 15.1768 16.2260 16.2260 17.1393 17.1393 17.3807 17.3807 18.8434 18.8434 19.0216 19.0216 k = 0.1571 0.5000 0.1571 ( 2620 PWs) bands (ev): -68.0082 -68.0082 -40.4632 -40.4632 -36.8162 -36.8162 -32.3542 -32.3542 -32.3286 -32.3286 -17.1395 -17.1395 -16.5161 -16.5161 -16.4347 -16.4347 12.6007 12.6007 12.7643 12.7643 13.0288 13.0288 13.3800 13.3800 13.8454 13.8454 15.1174 15.1174 16.2410 16.2410 17.0772 17.0772 17.3902 17.3902 18.8295 18.8295 18.9194 18.9194 k = 0.1500 0.5000 0.1500 ( 2620 PWs) bands (ev): -68.0083 -68.0083 -40.4637 -40.4637 -36.8158 -36.8158 -32.3540 -32.3540 -32.3278 -32.3278 -17.1386 -17.1386 -16.5156 -16.5156 -16.4323 -16.4323 12.5950 12.5950 12.7597 12.7597 13.0164 13.0164 13.4023 13.4023 13.8853 13.8853 15.0566 15.0566 16.2560 16.2560 17.0160 17.0160 17.3986 17.3986 18.8022 18.8022 18.8318 18.8318 k = 0.1429 0.5000 0.1429 ( 2630 PWs) bands (ev): -68.0084 -68.0084 -40.4643 -40.4643 -36.8155 -36.8155 -32.3537 -32.3537 -32.3270 -32.3270 -17.1377 -17.1377 -16.5151 -16.5151 -16.4299 -16.4299 12.5786 12.5786 12.7683 12.7683 13.0045 13.0045 13.4256 13.4256 13.9257 13.9257 14.9947 14.9947 16.2710 16.2710 16.9559 16.9559 17.4060 17.4060 18.7130 18.7130 18.8072 18.8072 k = 0.1357 0.5000 0.1357 ( 2630 PWs) bands (ev): -68.0084 -68.0084 -40.4648 -40.4648 -36.8151 -36.8151 -32.3535 -32.3535 -32.3262 -32.3262 -17.1369 -17.1369 -16.5146 -16.5146 -16.4277 -16.4277 12.5555 12.5555 12.7860 12.7860 12.9935 12.9935 13.4497 13.4497 13.9664 13.9664 14.9318 14.9318 16.2859 16.2859 16.8971 16.8971 17.4125 17.4125 18.6160 18.6160 18.7918 18.7918 k = 0.1286 0.5000 0.1286 ( 2634 PWs) bands (ev): -68.0085 -68.0085 -40.4653 -40.4653 -36.8148 -36.8148 -32.3533 -32.3533 -32.3255 -32.3255 -17.1361 -17.1361 -16.5141 -16.5141 -16.4255 -16.4255 12.5293 12.5293 12.8087 12.8087 12.9841 12.9841 13.4744 13.4744 14.0073 14.0073 14.8682 14.8682 16.3009 16.3009 16.8397 16.8397 17.4182 17.4182 18.5204 18.5204 18.7766 18.7766 k = 0.1214 0.5000 0.1214 ( 2634 PWs) bands (ev): -68.0086 -68.0086 -40.4658 -40.4658 -36.8144 -36.8144 -32.3530 -32.3530 -32.3248 -32.3248 -17.1354 -17.1354 -16.5136 -16.5136 -16.4234 -16.4234 12.5022 12.5022 12.8332 12.8332 12.9776 12.9776 13.4992 13.4992 14.0480 14.0480 14.8040 14.8040 16.3159 16.3159 16.7838 16.7838 17.4231 17.4231 18.4268 18.4268 18.7613 18.7613 k = 0.1143 0.5000 0.1143 ( 2630 PWs) bands (ev): -68.0087 -68.0087 -40.4663 -40.4663 -36.8141 -36.8141 -32.3528 -32.3528 -32.3241 -32.3241 -17.1347 -17.1347 -16.5132 -16.5132 -16.4214 -16.4214 12.4752 12.4752 12.8561 12.8561 12.9763 12.9763 13.5241 13.5241 14.0883 14.0883 14.7395 14.7395 16.3310 16.3310 16.7297 16.7297 17.4273 17.4273 18.3355 18.3355 18.7460 18.7460 k = 0.1071 0.5000 0.1071 ( 2634 PWs) bands (ev): -68.0087 -68.0087 -40.4668 -40.4668 -36.8138 -36.8138 -32.3526 -32.3526 -32.3234 -32.3234 -17.1340 -17.1340 -16.5128 -16.5128 -16.4196 -16.4196 12.4490 12.4490 12.8734 12.8734 12.9837 12.9837 13.5489 13.5489 14.1280 14.1280 14.6748 14.6748 16.3460 16.3460 16.6776 16.6776 17.4309 17.4309 18.2466 18.2466 18.7307 18.7307 k = 0.1000 0.5000 0.1000 ( 2642 PWs) bands (ev): -68.0088 -68.0088 -40.4672 -40.4672 -36.8135 -36.8135 -32.3524 -32.3524 -32.3228 -32.3228 -17.1334 -17.1334 -16.5124 -16.5124 -16.4178 -16.4178 12.4239 12.4239 12.8819 12.8819 13.0027 13.0027 13.5732 13.5732 14.1665 14.1665 14.6104 14.6104 16.3610 16.3610 16.6277 16.6277 17.4339 17.4339 18.1605 18.1605 18.7157 18.7157 k = 0.0929 0.5000 0.0929 ( 2638 PWs) bands (ev): -68.0089 -68.0089 -40.4676 -40.4676 -36.8132 -36.8132 -32.3522 -32.3522 -32.3222 -32.3222 -17.1329 -17.1329 -16.5121 -16.5121 -16.4161 -16.4161 12.4002 12.4002 12.8830 12.8830 13.0317 13.0317 13.5971 13.5971 14.2033 14.2033 14.5467 14.5467 16.3757 16.3757 16.5803 16.5803 17.4363 17.4363 18.0774 18.0774 18.7009 18.7009 k = 0.0857 0.5000 0.0857 ( 2636 PWs) bands (ev): -68.0089 -68.0089 -40.4680 -40.4680 -36.8129 -36.8129 -32.3520 -32.3520 -32.3217 -32.3217 -17.1324 -17.1324 -16.5117 -16.5117 -16.4146 -16.4146 12.3779 12.3779 12.8801 12.8801 13.0672 13.0672 13.6201 13.6201 14.2372 14.2372 14.4848 14.4848 16.3899 16.3899 16.5360 16.5360 17.4383 17.4383 17.9976 17.9976 18.6867 18.6867 k = 0.0786 0.5000 0.0786 ( 2636 PWs) bands (ev): -68.0090 -68.0090 -40.4683 -40.4683 -36.8127 -36.8127 -32.3518 -32.3518 -32.3212 -32.3212 -17.1319 -17.1319 -16.5114 -16.5114 -16.4132 -16.4132 12.3572 12.3572 12.8754 12.8754 13.1068 13.1068 13.6422 13.6422 14.2650 14.2650 14.4278 14.4278 16.4023 16.4023 16.4962 16.4962 17.4398 17.4398 17.9213 17.9213 18.6730 18.6730 k = 0.0714 0.5000 0.0714 ( 2636 PWs) bands (ev): -68.0090 -68.0090 -40.4686 -40.4686 -36.8125 -36.8125 -32.3516 -32.3516 -32.3207 -32.3207 -17.1315 -17.1315 -16.5111 -16.5111 -16.4119 -16.4119 12.3382 12.3382 12.8701 12.8701 13.1493 13.1493 13.6630 13.6630 14.2752 14.2752 14.3871 14.3871 16.4077 16.4077 16.4662 16.4662 17.4409 17.4409 17.8489 17.8489 18.6601 18.6601 k = 0.0643 0.5000 0.0643 ( 2634 PWs) bands (ev): -68.0090 -68.0090 -40.4689 -40.4689 -36.8122 -36.8122 -32.3514 -32.3514 -32.3203 -32.3203 -17.1311 -17.1311 -16.5109 -16.5109 -16.4107 -16.4107 12.3208 12.3208 12.8647 12.8647 13.1940 13.1940 13.6823 13.6823 14.2482 14.2482 14.3822 14.3822 16.3939 16.3939 16.4583 16.4583 17.4417 17.4417 17.7809 17.7809 18.6481 18.6481 k = 0.0571 0.5000 0.0571 ( 2634 PWs) bands (ev): -68.0091 -68.0091 -40.4692 -40.4692 -36.8121 -36.8121 -32.3513 -32.3513 -32.3199 -32.3199 -17.1308 -17.1308 -16.5106 -16.5106 -16.4096 -16.4096 12.3052 12.3052 12.8596 12.8596 13.2405 13.2405 13.6999 13.6999 14.1972 14.1972 14.3998 14.3998 16.3669 16.3669 16.4667 16.4667 17.4420 17.4420 17.7177 17.7177 18.6371 18.6371 k = 0.0500 0.5000 0.0500 ( 2630 PWs) bands (ev): -68.0091 -68.0091 -40.4694 -40.4694 -36.8119 -36.8119 -32.3512 -32.3512 -32.3195 -32.3195 -17.1305 -17.1305 -16.5104 -16.5104 -16.4086 -16.4086 12.2914 12.2914 12.8549 12.8549 13.2885 13.2885 13.7152 13.7152 14.1400 14.1400 14.4223 14.4223 16.3388 16.3388 16.4792 16.4792 17.4420 17.4420 17.6600 17.6600 18.6271 18.6271 k = 0.0429 0.5000 0.0429 ( 2628 PWs) bands (ev): -68.0091 -68.0091 -40.4696 -40.4696 -36.8117 -36.8117 -32.3511 -32.3511 -32.3192 -32.3192 -17.1302 -17.1302 -16.5102 -16.5102 -16.4078 -16.4078 12.2793 12.2793 12.8507 12.8507 13.3378 13.3378 13.7279 13.7279 14.0821 14.0821 14.4442 14.4442 16.3129 16.3129 16.4924 16.4924 17.4414 17.4414 17.6084 17.6084 18.6183 18.6183 k = 0.0357 0.5000 0.0357 ( 2622 PWs) bands (ev): -68.0092 -68.0092 -40.4698 -40.4698 -36.8116 -36.8116 -32.3509 -32.3509 -32.3190 -32.3190 -17.1300 -17.1300 -16.5101 -16.5101 -16.4071 -16.4071 12.2691 12.2691 12.8471 12.8471 13.3880 13.3880 13.7371 13.7371 14.0258 14.0258 14.4640 14.4640 16.2903 16.2903 16.5050 16.5050 17.4400 17.4400 17.5638 17.5638 18.6107 18.6107 k = 0.0286 0.5000 0.0286 ( 2622 PWs) bands (ev): -68.0092 -68.0092 -40.4699 -40.4699 -36.8115 -36.8115 -32.3509 -32.3509 -32.3188 -32.3188 -17.1298 -17.1298 -16.5100 -16.5100 -16.4065 -16.4065 12.2607 12.2607 12.8441 12.8441 13.4389 13.4389 13.7413 13.7413 13.9733 13.9733 14.4809 14.4809 16.2714 16.2714 16.5165 16.5165 17.4374 17.4374 17.5275 17.5275 18.6044 18.6044 k = 0.0214 0.5000 0.0214 ( 2622 PWs) bands (ev): -68.0092 -68.0092 -40.4700 -40.4700 -36.8114 -36.8114 -32.3508 -32.3508 -32.3186 -32.3186 -17.1297 -17.1297 -16.5099 -16.5099 -16.4061 -16.4061 12.2542 12.2542 12.8418 12.8418 13.4897 13.4897 13.7382 13.7382 13.9275 13.9275 14.4944 14.4944 16.2564 16.2564 16.5262 16.5262 17.4329 17.4329 17.5006 17.5006 18.5995 18.5995 k = 0.0143 0.5000 0.0143 ( 2622 PWs) bands (ev): -68.0092 -68.0092 -40.4701 -40.4701 -36.8113 -36.8113 -32.3508 -32.3508 -32.3185 -32.3185 -17.1296 -17.1296 -16.5098 -16.5098 -16.4057 -16.4057 12.2496 12.2496 12.8401 12.8401 13.5393 13.5393 13.7245 13.7245 13.8931 13.8931 14.5042 14.5042 16.2456 16.2456 16.5336 16.5336 17.4267 17.4267 17.4839 17.4839 18.5959 18.5959 k = 0.0071 0.5000 0.0071 ( 2606 PWs) bands (ev): -68.0092 -68.0092 -40.4702 -40.4702 -36.8112 -36.8112 -32.3506 -32.3506 -32.3184 -32.3184 -17.1295 -17.1295 -16.5097 -16.5097 -16.4055 -16.4055 12.2468 12.2468 12.8391 12.8391 13.5841 13.5841 13.7005 13.7005 13.8732 13.8732 14.5102 14.5102 16.2391 16.2391 16.5382 16.5382 17.4210 17.4210 17.4756 17.4756 18.5937 18.5937 k = 0.0000 0.5000-0.0000 ( 2594 PWs) bands (ev): -68.0092 -68.0092 -40.4702 -40.4702 -36.8111 -36.8111 -32.3506 -32.3506 -32.3183 -32.3183 -17.1295 -17.1295 -16.5097 -16.5097 -16.4055 -16.4055 12.2458 12.2458 12.8387 12.8387 13.6078 13.6078 13.6832 13.6832 13.8671 13.8671 14.5122 14.5122 16.2369 16.2369 16.5398 16.5398 17.4186 17.4186 17.4733 17.4733 18.5930 18.5930 k = 0.5000 0.5000-0.0000 ( 2624 PWs) bands (ev): -68.0069 -68.0069 -40.4543 -40.4543 -36.8228 -36.8228 -32.3682 -32.3682 -32.3322 -32.3322 -17.1565 -17.1565 -16.5489 -16.5489 -16.4349 -16.4349 11.7896 11.7896 12.0903 12.0903 13.0955 13.0955 13.2262 13.2262 15.1645 15.1645 16.3635 16.3635 17.4626 17.4626 17.6375 17.6375 17.9513 17.9513 19.2026 19.2026 19.2382 19.2382 k = 0.5000 0.5000 0.0100 ( 2624 PWs) bands (ev): -68.0069 -68.0069 -40.4543 -40.4543 -36.8228 -36.8228 -32.3682 -32.3682 -32.3323 -32.3323 -17.1565 -17.1565 -16.5489 -16.5489 -16.4351 -16.4351 11.7905 11.7905 12.0920 12.0920 13.0951 13.0951 13.2257 13.2257 15.1646 15.1646 16.3635 16.3635 17.4567 17.4567 17.6310 17.6310 17.9523 17.9523 19.2100 19.2100 19.2463 19.2463 k = 0.5000 0.5000 0.0200 ( 2624 PWs) bands (ev): -68.0069 -68.0069 -40.4542 -40.4542 -36.8228 -36.8228 -32.3682 -32.3682 -32.3324 -32.3324 -17.1566 -17.1566 -16.5488 -16.5488 -16.4354 -16.4354 11.7932 11.7932 12.0973 12.0973 13.0940 13.0940 13.2244 13.2244 15.1647 15.1647 16.3635 16.3635 17.4396 17.4396 17.6119 17.6119 17.9553 17.9553 19.2319 19.2319 19.2705 19.2705 k = 0.5000 0.5000 0.0300 ( 2628 PWs) bands (ev): -68.0069 -68.0069 -40.4542 -40.4542 -36.8228 -36.8228 -32.3681 -32.3681 -32.3325 -32.3325 -17.1568 -17.1568 -16.5488 -16.5488 -16.4360 -16.4360 11.7977 11.7977 12.1060 12.1060 13.0920 13.0920 13.2222 13.2222 15.1649 15.1649 16.3634 16.3634 17.4118 17.4118 17.5813 17.5813 17.9603 17.9603 19.2668 19.2668 19.3096 19.3096 k = 0.5000 0.5000 0.0400 ( 2636 PWs) bands (ev): -68.0069 -68.0069 -40.4541 -40.4541 -36.8229 -36.8229 -32.3681 -32.3681 -32.3328 -32.3328 -17.1570 -17.1570 -16.5488 -16.5488 -16.4368 -16.4368 11.8039 11.8039 12.1182 12.1182 13.0893 13.0893 13.2192 13.2192 15.1653 15.1653 16.3632 16.3632 17.3749 17.3749 17.5407 17.5407 17.9673 17.9673 19.3087 19.3087 19.3404 19.3404 k = 0.5000 0.5000 0.0500 ( 2628 PWs) bands (ev): -68.0069 -68.0069 -40.4539 -40.4539 -36.8230 -36.8230 -32.3681 -32.3681 -32.3330 -32.3330 -17.1573 -17.1573 -16.5487 -16.5487 -16.4378 -16.4378 11.8119 11.8119 12.1339 12.1339 13.0859 13.0859 13.2152 13.2152 15.1657 15.1657 16.3630 16.3630 17.3300 17.3300 17.4919 17.4919 17.9762 17.9762 19.3263 19.3263 19.3834 19.3834 k = 0.5000 0.5000 0.0600 ( 2620 PWs) bands (ev): -68.0069 -68.0069 -40.4538 -40.4538 -36.8230 -36.8230 -32.3680 -32.3680 -32.3333 -32.3333 -17.1576 -17.1576 -16.5486 -16.5486 -16.4390 -16.4390 11.8217 11.8217 12.1530 12.1530 13.0818 13.0818 13.2105 13.2105 15.1662 15.1662 16.3627 16.3627 17.2787 17.2787 17.4364 17.4364 17.9872 17.9872 19.3293 19.3293 19.4509 19.4509 k = 0.5000 0.5000 0.0700 ( 2620 PWs) bands (ev): -68.0068 -68.0068 -40.4536 -40.4536 -36.8231 -36.8231 -32.3679 -32.3679 -32.3336 -32.3336 -17.1580 -17.1580 -16.5486 -16.5486 -16.4404 -16.4404 11.8331 11.8331 12.1754 12.1754 13.0770 13.0770 13.2049 13.2049 15.1669 15.1669 16.3623 16.3623 17.2223 17.2223 17.3759 17.3759 18.0001 18.0001 19.3307 19.3307 19.5286 19.5286 k = 0.5000 0.5000 0.0800 ( 2620 PWs) bands (ev): -68.0068 -68.0068 -40.4534 -40.4534 -36.8233 -36.8233 -32.3678 -32.3678 -32.3341 -32.3341 -17.1585 -17.1585 -16.5485 -16.5485 -16.4420 -16.4420 11.8462 11.8462 12.2012 12.2012 13.0716 13.0716 13.1986 13.1986 15.1676 15.1676 16.3617 16.3617 17.1619 17.1619 17.3116 17.3116 18.0150 18.0150 19.3319 19.3319 19.6140 19.6140 k = 0.5000 0.5000 0.0900 ( 2612 PWs) bands (ev): -68.0068 -68.0068 -40.4532 -40.4532 -36.8233 -36.8233 -32.3677 -32.3677 -32.3345 -32.3345 -17.1590 -17.1590 -16.5483 -16.5483 -16.4439 -16.4439 11.8608 11.8608 12.2302 12.2302 13.0657 13.0657 13.1915 13.1915 15.1684 15.1684 16.3610 16.3610 17.0987 17.0987 17.2445 17.2445 18.0318 18.0318 19.3330 19.3330 19.7058 19.7058 k = 0.5000 0.5000 0.1000 ( 2612 PWs) bands (ev): -68.0067 -68.0067 -40.4530 -40.4530 -36.8235 -36.8235 -32.3676 -32.3676 -32.3350 -32.3350 -17.1595 -17.1595 -16.5482 -16.5482 -16.4459 -16.4459 11.8770 11.8770 12.2624 12.2624 13.0593 13.0593 13.1837 13.1837 15.1693 15.1693 16.3600 16.3600 17.0334 17.0334 17.1756 17.1756 18.0506 18.0506 19.3341 19.3341 19.8032 19.8032 k = 0.5000 0.5000 0.1100 ( 2612 PWs) bands (ev): -68.0067 -68.0067 -40.4527 -40.4527 -36.8237 -36.8237 -32.3674 -32.3674 -32.3356 -32.3356 -17.1602 -17.1602 -16.5481 -16.5481 -16.4480 -16.4480 11.8946 11.8946 12.2977 12.2977 13.0525 13.0525 13.1752 13.1752 15.1702 15.1702 16.3586 16.3586 16.9667 16.9667 17.1055 17.1055 18.0713 18.0713 19.3353 19.3353 19.9053 19.9053 k = 0.5000 0.5000 0.1200 ( 2604 PWs) bands (ev): -68.0066 -68.0066 -40.4525 -40.4525 -36.8238 -36.8238 -32.3673 -32.3673 -32.3362 -32.3362 -17.1609 -17.1609 -16.5480 -16.5480 -16.4504 -16.4504 11.9136 11.9136 12.3359 12.3359 13.0454 13.0454 13.1661 13.1661 15.1712 15.1712 16.3569 16.3569 16.8993 16.8993 17.0347 17.0347 18.0939 18.0939 19.3366 19.3366 20.0117 20.0117 k = 0.5000 0.5000 0.1300 ( 2604 PWs) bands (ev): -68.0066 -68.0066 -40.4522 -40.4522 -36.8240 -36.8240 -32.3672 -32.3672 -32.3369 -32.3369 -17.1616 -17.1616 -16.5478 -16.5478 -16.4529 -16.4529 11.9339 11.9339 12.3769 12.3769 13.0382 13.0382 13.1564 13.1564 15.1724 15.1724 16.3547 16.3547 16.8316 16.8316 16.9638 16.9638 18.1183 18.1183 19.3379 19.3379 20.1219 20.1219 k = 0.5000 0.5000 0.1400 ( 2604 PWs) bands (ev): -68.0065 -68.0065 -40.4519 -40.4519 -36.8242 -36.8242 -32.3670 -32.3670 -32.3376 -32.3376 -17.1624 -17.1624 -16.5476 -16.5476 -16.4555 -16.4555 11.9555 11.9555 12.4206 12.4206 13.0310 13.0310 13.1461 13.1461 15.1735 15.1735 16.3520 16.3520 16.7642 16.7642 16.8931 16.8931 18.1446 18.1446 19.3394 19.3394 20.2354 20.2354 k = 0.5000 0.5000 0.1500 ( 2604 PWs) bands (ev): -68.0065 -68.0065 -40.4515 -40.4515 -36.8244 -36.8244 -32.3669 -32.3669 -32.3383 -32.3383 -17.1632 -17.1632 -16.5475 -16.5475 -16.4583 -16.4583 11.9782 11.9782 12.4665 12.4665 13.0242 13.0242 13.1354 13.1354 15.1748 15.1748 16.3484 16.3484 16.6974 16.6974 16.8228 16.8228 18.1727 18.1727 19.3408 19.3408 20.3519 20.3519 k = 0.5000 0.5000 0.1600 ( 2604 PWs) bands (ev): -68.0064 -68.0064 -40.4512 -40.4512 -36.8246 -36.8246 -32.3667 -32.3667 -32.3391 -32.3391 -17.1641 -17.1641 -16.5473 -16.5473 -16.4612 -16.4612 12.0020 12.0020 12.5143 12.5143 13.0182 13.0182 13.1242 13.1242 15.1761 15.1761 16.3438 16.3438 16.6317 16.6317 16.7533 16.7533 18.2025 18.2025 19.3424 19.3424 20.4712 20.4712 k = 0.5000 0.5000 0.1700 ( 2604 PWs) bands (ev): -68.0063 -68.0063 -40.4508 -40.4508 -36.8248 -36.8248 -32.3665 -32.3665 -32.3399 -32.3399 -17.1650 -17.1650 -16.5471 -16.5471 -16.4642 -16.4642 12.0267 12.0267 12.5635 12.5635 13.0134 13.0134 13.1126 13.1126 15.1775 15.1775 16.3376 16.3376 16.5678 16.5678 16.6847 16.6847 18.2341 18.2341 19.3440 19.3440 20.5930 20.5930 k = 0.5000 0.5000 0.1800 ( 2620 PWs) bands (ev): -68.0063 -68.0063 -40.4504 -40.4504 -36.8251 -36.8251 -32.3665 -32.3665 -32.3408 -32.3408 -17.1660 -17.1660 -16.5469 -16.5469 -16.4673 -16.4673 12.0523 12.0523 12.6129 12.6129 13.0109 13.0109 13.1007 13.1007 15.1789 15.1789 16.3290 16.3290 16.5068 16.5068 16.6173 16.6173 18.2674 18.2674 19.3456 19.3456 20.7171 20.7171 k = 0.5000 0.5000 0.1900 ( 2620 PWs) bands (ev): -68.0062 -68.0062 -40.4500 -40.4500 -36.8254 -36.8254 -32.3663 -32.3663 -32.3416 -32.3416 -17.1670 -17.1670 -16.5467 -16.5467 -16.4705 -16.4705 12.0787 12.0787 12.6612 12.6612 13.0120 13.0120 13.0885 13.0885 15.1804 15.1804 16.3157 16.3157 16.4507 16.4507 16.5511 16.5511 18.3022 18.3022 19.3473 19.3473 20.8434 20.8434 k = 0.5000 0.5000 0.2000 ( 2620 PWs) bands (ev): -68.0062 -68.0062 -40.4497 -40.4497 -36.8256 -36.8256 -32.3661 -32.3661 -32.3425 -32.3425 -17.1681 -17.1681 -16.5465 -16.5465 -16.4738 -16.4738 12.1057 12.1057 12.7062 12.7062 13.0190 13.0190 13.0760 13.0760 15.1819 15.1819 16.2937 16.2937 16.4040 16.4040 16.4863 16.4863 18.3387 18.3387 19.3490 19.3490 20.9717 20.9717 k = 0.5000 0.5000 0.2100 ( 2620 PWs) bands (ev): -68.0061 -68.0061 -40.4492 -40.4492 -36.8259 -36.8259 -32.3659 -32.3659 -32.3434 -32.3434 -17.1691 -17.1691 -16.5463 -16.5463 -16.4771 -16.4771 12.1332 12.1332 12.7446 12.7446 13.0349 13.0349 13.0634 13.0634 15.1834 15.1834 16.2583 16.2583 16.3711 16.3711 16.4229 16.4229 18.3766 18.3766 19.3508 19.3508 21.1019 21.1019 k = 0.5000 0.5000 0.2200 ( 2632 PWs) bands (ev): -68.0060 -68.0060 -40.4488 -40.4488 -36.8262 -36.8262 -32.3657 -32.3657 -32.3444 -32.3444 -17.1702 -17.1702 -16.5461 -16.5461 -16.4804 -16.4804 12.1611 12.1611 12.7736 12.7736 13.0507 13.0507 13.0627 13.0627 15.1850 15.1850 16.2117 16.2117 16.3499 16.3499 16.3612 16.3612 18.4159 18.4159 19.3526 19.3526 21.2338 21.2338 k = 0.5000 0.5000 0.2300 ( 2632 PWs) bands (ev): -68.0059 -68.0059 -40.4484 -40.4484 -36.8265 -36.8265 -32.3655 -32.3655 -32.3454 -32.3454 -17.1714 -17.1714 -16.5459 -16.5459 -16.4838 -16.4838 12.1893 12.1893 12.7919 12.7919 13.0380 13.0380 13.1036 13.1036 15.1866 15.1866 16.1599 16.1599 16.3011 16.3011 16.3344 16.3344 18.4565 18.4565 19.3544 19.3544 21.3674 21.3674 k = 0.5000 0.5000 0.2400 ( 2640 PWs) bands (ev): -68.0059 -68.0059 -40.4480 -40.4480 -36.8268 -36.8268 -32.3654 -32.3654 -32.3463 -32.3463 -17.1725 -17.1725 -16.5457 -16.5457 -16.4872 -16.4872 12.2177 12.2177 12.8008 12.8008 13.0252 13.0252 13.1560 13.1560 15.1882 15.1882 16.1067 16.1067 16.2428 16.2428 16.3210 16.3210 18.4982 18.4982 19.3563 19.3563 21.5026 21.5026 k = 0.5000 0.5000 0.2500 ( 2640 PWs) bands (ev): -68.0058 -68.0058 -40.4476 -40.4476 -36.8270 -36.8270 -32.3652 -32.3652 -32.3473 -32.3473 -17.1737 -17.1737 -16.5455 -16.5455 -16.4905 -16.4905 12.2462 12.2462 12.8030 12.8030 13.0126 13.0126 13.2175 13.2175 15.1898 15.1898 16.0536 16.0536 16.1862 16.1862 16.3078 16.3078 18.5411 18.5411 19.3581 19.3581 21.6393 21.6393 k = 0.5000 0.5000 0.2600 ( 2632 PWs) bands (ev): -68.0057 -68.0057 -40.4472 -40.4472 -36.8272 -36.8272 -32.3650 -32.3650 -32.3481 -32.3481 -17.1749 -17.1749 -16.5453 -16.5453 -16.4939 -16.4939 12.2745 12.2745 12.8006 12.8006 13.0001 13.0001 13.2855 13.2855 15.1914 15.1914 16.0014 16.0014 16.1315 16.1315 16.2941 16.2941 18.5850 18.5850 19.3600 19.3600 21.7774 21.7774 k = 0.5000 0.5000 0.2700 ( 2616 PWs) bands (ev): -68.0057 -68.0057 -40.4467 -40.4467 -36.8274 -36.8274 -32.3647 -32.3647 -32.3490 -32.3490 -17.1761 -17.1761 -16.5451 -16.5451 -16.4972 -16.4972 12.3027 12.3027 12.7955 12.7955 12.9877 12.9877 13.3584 13.3584 15.1931 15.1931 15.9506 15.9506 16.0788 16.0788 16.2795 16.2795 18.6296 18.6296 19.3618 19.3618 21.9169 21.9169 k = 0.5000 0.5000 0.2800 ( 2616 PWs) bands (ev): -68.0056 -68.0056 -40.4463 -40.4463 -36.8277 -36.8277 -32.3645 -32.3645 -32.3500 -32.3500 -17.1773 -17.1773 -16.5449 -16.5449 -16.5005 -16.5005 12.3305 12.3305 12.7885 12.7885 12.9757 12.9757 13.4350 13.4350 15.1947 15.1947 15.9013 15.9013 16.0279 16.0279 16.2636 16.2636 18.6750 18.6750 19.3636 19.3636 22.0576 22.0576 k = 0.5000 0.5000 0.2900 ( 2616 PWs) bands (ev): -68.0055 -68.0055 -40.4459 -40.4459 -36.8279 -36.8279 -32.3643 -32.3643 -32.3509 -32.3509 -17.1785 -17.1785 -16.5447 -16.5447 -16.5038 -16.5038 12.3579 12.3579 12.7804 12.7804 12.9640 12.9640 13.5146 13.5146 15.1963 15.1963 15.8538 15.8538 15.9791 15.9791 16.2463 16.2463 18.7208 18.7208 19.3654 19.3654 22.1995 22.1995 k = 0.5000 0.5000 0.3000 ( 2616 PWs) bands (ev): -68.0055 -68.0055 -40.4455 -40.4455 -36.8282 -36.8282 -32.3641 -32.3641 -32.3518 -32.3518 -17.1796 -17.1796 -16.5445 -16.5445 -16.5069 -16.5069 12.3846 12.3846 12.7716 12.7716 12.9526 12.9526 13.5966 13.5966 15.1979 15.1979 15.8081 15.8081 15.9323 15.9323 16.2273 16.2273 18.7669 18.7669 19.3672 19.3672 22.3426 22.3426 k = 0.5000 0.5000 0.3100 ( 2616 PWs) bands (ev): -68.0054 -68.0054 -40.4451 -40.4451 -36.8284 -36.8284 -32.3640 -32.3640 -32.3526 -32.3526 -17.1808 -17.1808 -16.5443 -16.5443 -16.5100 -16.5100 12.4107 12.4107 12.7624 12.7624 12.9418 12.9418 13.6806 13.6806 15.1995 15.1995 15.7644 15.7644 15.8876 15.8876 16.2065 16.2065 18.8132 18.8132 19.3689 19.3689 22.4868 22.4868 k = 0.5000 0.5000 0.3200 ( 2616 PWs) bands (ev): -68.0053 -68.0053 -40.4447 -40.4447 -36.8287 -36.8287 -32.3638 -32.3638 -32.3535 -32.3535 -17.1820 -17.1820 -16.5441 -16.5441 -16.5130 -16.5130 12.4359 12.4359 12.7530 12.7530 12.9314 12.9314 13.7662 13.7662 15.2010 15.2010 15.7226 15.7226 15.8450 15.8450 16.1837 16.1837 18.8594 18.8594 19.3706 19.3706 22.6320 22.6320 k = 0.5000 0.5000 0.3300 ( 2608 PWs) bands (ev): -68.0053 -68.0053 -40.4444 -40.4444 -36.8289 -36.8289 -32.3636 -32.3636 -32.3543 -32.3543 -17.1831 -17.1831 -16.5439 -16.5439 -16.5159 -16.5159 12.4601 12.4601 12.7436 12.7436 12.9217 12.9217 13.8532 13.8532 15.2025 15.2025 15.6828 15.6828 15.8045 15.8045 16.1589 16.1589 18.9053 18.9053 19.3723 19.3723 22.7781 22.7781 k = 0.5000 0.5000 0.3400 ( 2616 PWs) bands (ev): -68.0052 -68.0052 -40.4440 -40.4440 -36.8292 -36.8292 -32.3634 -32.3634 -32.3552 -32.3552 -17.1842 -17.1842 -16.5437 -16.5437 -16.5187 -16.5187 12.4832 12.4832 12.7343 12.7343 12.9125 12.9125 13.9411 13.9411 15.2039 15.2039 15.6451 15.6451 15.7662 15.7662 16.1319 16.1319 18.9506 18.9506 19.3739 19.3739 22.9252 22.9252 k = 0.5000 0.5000 0.3500 ( 2616 PWs) bands (ev): -68.0051 -68.0051 -40.4436 -40.4436 -36.8294 -36.8294 -32.3633 -32.3633 -32.3559 -32.3559 -17.1853 -17.1853 -16.5435 -16.5435 -16.5214 -16.5214 12.5050 12.5050 12.7253 12.7253 12.9041 12.9041 14.0299 14.0299 15.2053 15.2053 15.6095 15.6095 15.7301 15.7301 16.1026 16.1026 18.9951 18.9951 19.3754 19.3754 23.0731 23.0731 k = 0.5000 0.5000 0.3600 ( 2608 PWs) bands (ev): -68.0051 -68.0051 -40.4433 -40.4433 -36.8295 -36.8295 -32.3631 -32.3631 -32.3566 -32.3566 -17.1863 -17.1863 -16.5433 -16.5433 -16.5239 -16.5239 12.5256 12.5256 12.7165 12.7165 12.8965 12.8965 14.1191 14.1191 15.2067 15.2067 15.5760 15.5760 15.6962 15.6962 16.0709 16.0709 19.0386 19.0386 19.3769 19.3769 23.2218 23.2218 k = 0.5000 0.5000 0.3700 ( 2608 PWs) bands (ev): -68.0050 -68.0050 -40.4430 -40.4430 -36.8297 -36.8297 -32.3629 -32.3629 -32.3573 -32.3573 -17.1873 -17.1873 -16.5432 -16.5432 -16.5263 -16.5263 12.5446 12.5446 12.7082 12.7082 12.8897 12.8897 14.2086 14.2086 15.2080 15.2080 15.5447 15.5447 15.6645 15.6645 16.0367 16.0367 19.0807 19.0807 19.3783 19.3783 23.3712 23.3712 k = 0.5000 0.5000 0.3800 ( 2592 PWs) bands (ev): -68.0050 -68.0050 -40.4427 -40.4427 -36.8299 -36.8299 -32.3627 -32.3627 -32.3579 -32.3579 -17.1882 -17.1882 -16.5430 -16.5430 -16.5286 -16.5286 12.5622 12.5622 12.7002 12.7002 12.8838 12.8838 14.2982 14.2982 15.2092 15.2092 15.5156 15.5156 15.6351 15.6351 15.9999 15.9999 19.1213 19.1213 19.3796 19.3796 23.5213 23.5213 k = 0.5000 0.5000 0.3900 ( 2592 PWs) bands (ev): -68.0049 -68.0049 -40.4424 -40.4424 -36.8300 -36.8300 -32.3626 -32.3626 -32.3585 -32.3585 -17.1891 -17.1891 -16.5429 -16.5429 -16.5307 -16.5307 12.5780 12.5780 12.6928 12.6928 12.8788 12.8788 14.3875 14.3875 15.2103 15.2103 15.4887 15.4887 15.6080 15.6080 15.9605 15.9605 19.1599 19.1599 19.3808 19.3808 23.6719 23.6719 k = 0.5000 0.5000 0.4000 ( 2584 PWs) bands (ev): -68.0049 -68.0049 -40.4422 -40.4422 -36.8302 -36.8302 -32.3625 -32.3625 -32.3590 -32.3590 -17.1899 -17.1899 -16.5428 -16.5428 -16.5326 -16.5326 12.5922 12.5922 12.6858 12.6858 12.8746 12.8746 14.4763 14.4763 15.2114 15.2114 15.4640 15.4640 15.5831 15.5831 15.9185 15.9185 19.1964 19.1964 19.3819 19.3819 23.8230 23.8230 k = 0.5000 0.5000 0.4100 ( 2576 PWs) bands (ev): -68.0048 -68.0048 -40.4419 -40.4419 -36.8303 -36.8303 -32.3624 -32.3624 -32.3595 -32.3595 -17.1907 -17.1907 -16.5426 -16.5426 -16.5344 -16.5344 12.6047 12.6047 12.6794 12.6794 12.8714 12.8714 14.5644 14.5644 15.2124 15.2124 15.4414 15.4414 15.5606 15.5606 15.8738 15.8738 19.2305 19.2305 19.3830 19.3830 23.8793 23.8793 k = 0.5000 0.5000 0.4200 ( 2576 PWs) bands (ev): -68.0048 -68.0048 -40.4417 -40.4417 -36.8304 -36.8304 -32.3623 -32.3623 -32.3600 -32.3600 -17.1914 -17.1914 -16.5425 -16.5425 -16.5360 -16.5360 12.6155 12.6155 12.6736 12.6736 12.8690 12.8690 14.6514 14.6514 15.2133 15.2133 15.4211 15.4211 15.5404 15.5404 15.8266 15.8266 19.2618 19.2618 19.3839 19.3839 23.8778 23.8778 k = 0.5000 0.5000 0.4300 ( 2576 PWs) bands (ev): -68.0048 -68.0048 -40.4415 -40.4415 -36.8305 -36.8305 -32.3622 -32.3622 -32.3604 -32.3604 -17.1920 -17.1920 -16.5424 -16.5424 -16.5374 -16.5374 12.6247 12.6247 12.6684 12.6684 12.8673 12.8673 14.7371 14.7371 15.2141 15.2141 15.4028 15.4028 15.5226 15.5226 15.7769 15.7769 19.2901 19.2901 19.3848 19.3848 23.8770 23.8770 k = 0.5000 0.5000 0.4400 ( 2580 PWs) bands (ev): -68.0047 -68.0047 -40.4414 -40.4414 -36.8306 -36.8306 -32.3621 -32.3621 -32.3608 -32.3608 -17.1926 -17.1926 -16.5424 -16.5424 -16.5386 -16.5386 12.6323 12.6323 12.6639 12.6639 12.8663 12.8663 14.8211 14.8211 15.2148 15.2148 15.3866 15.3866 15.5071 15.5071 15.7250 15.7250 19.3152 19.3152 19.3855 19.3855 23.8768 23.8768 k = 0.5000 0.5000 0.4500 ( 2580 PWs) bands (ev): -68.0047 -68.0047 -40.4412 -40.4412 -36.8307 -36.8307 -32.3621 -32.3621 -32.3611 -32.3611 -17.1930 -17.1930 -16.5423 -16.5423 -16.5397 -16.5397 12.6384 12.6384 12.6600 12.6600 12.8658 12.8658 14.9029 14.9029 15.2154 15.2154 15.3722 15.3722 15.4940 15.4940 15.6713 15.6713 19.3369 19.3369 19.3861 19.3861 23.8770 23.8770 k = 0.5000 0.5000 0.4600 ( 2580 PWs) bands (ev): -68.0047 -68.0047 -40.4411 -40.4411 -36.8308 -36.8308 -32.3620 -32.3620 -32.3614 -32.3614 -17.1934 -17.1934 -16.5422 -16.5422 -16.5406 -16.5406 12.6432 12.6432 12.6568 12.6568 12.8656 12.8656 14.9820 14.9820 15.2159 15.2159 15.3591 15.3591 15.4832 15.4832 15.6167 15.6167 19.3549 19.3549 19.3867 19.3867 23.8775 23.8775 k = 0.5000 0.5000 0.4700 ( 2604 PWs) bands (ev): -68.0047 -68.0047 -40.4410 -40.4410 -36.8310 -36.8310 -32.3620 -32.3620 -32.3617 -32.3617 -17.1937 -17.1937 -16.5422 -16.5422 -16.5412 -16.5412 12.6467 12.6467 12.6543 12.6543 12.8656 12.8656 15.0575 15.0575 15.2163 15.2163 15.3463 15.3463 15.4748 15.4748 15.5631 15.5631 19.3691 19.3691 19.3871 19.3871 23.8780 23.8780 k = 0.5000 0.5000 0.4800 ( 2608 PWs) bands (ev): -68.0047 -68.0047 -40.4409 -40.4409 -36.8310 -36.8310 -32.3620 -32.3620 -32.3619 -32.3619 -17.1939 -17.1939 -16.5421 -16.5421 -16.5417 -16.5417 12.6492 12.6492 12.6525 12.6525 12.8658 12.8658 15.1274 15.1274 15.2166 15.2166 15.3318 15.3318 15.4688 15.4688 15.5142 15.5142 19.3793 19.3793 19.3873 19.3873 23.8785 23.8785 k = 0.5000 0.5000 0.4900 ( 2608 PWs) bands (ev): -68.0047 -68.0047 -40.4409 -40.4409 -36.8311 -36.8311 -32.3620 -32.3620 -32.3620 -32.3620 -17.1941 -17.1941 -16.5421 -16.5421 -16.5420 -16.5420 12.6506 12.6506 12.6515 12.6515 12.8659 12.8659 15.1870 15.1870 15.2168 15.2168 15.3126 15.3126 15.4653 15.4653 15.4778 15.4778 19.3855 19.3855 19.3875 19.3875 23.8789 23.8789 k = 0.5000 0.5000 0.5000 ( 2608 PWs) bands (ev): -68.0047 -68.0047 -40.4409 -40.4409 -36.8311 -36.8311 -32.3620 -32.3620 -32.3620 -32.3620 -17.1941 -17.1941 -16.5421 -16.5421 -16.5421 -16.5421 12.6511 12.6511 12.6511 12.6511 12.8659 12.8659 15.2168 15.2168 15.2168 15.2168 15.2979 15.2979 15.4641 15.4641 15.4641 15.4641 19.3876 19.3876 19.3876 19.3876 23.8790 23.8790 Writing output data file TiPd.save init_run : 0.12s CPU 0.27s WALL ( 1 calls) electrons : 76.23s CPU 77.95s 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 : 76.22s CPU 77.94s 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 : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.04s WALL ( 382 calls) cegterg : 71.47s CPU 72.77s WALL ( 453 calls) Called by sum_band: Called by *egterg: h_psi : 36.06s CPU 36.78s WALL ( 7359 calls) s_psi : 1.20s CPU 1.19s WALL ( 7359 calls) g_psi : 0.17s CPU 0.15s WALL ( 6524 calls) cdiaghg : 29.84s CPU 30.49s WALL ( 6906 calls) cegterg:over : 3.09s CPU 3.08s WALL ( 6524 calls) cegterg:upda : 2.05s CPU 2.04s WALL ( 6524 calls) cegterg:last : 1.46s CPU 1.57s WALL ( 1560 calls) cdiaghg:chol : 1.57s CPU 1.56s WALL ( 6906 calls) cdiaghg:inve : 0.69s CPU 0.81s WALL ( 6906 calls) cdiaghg:para : 1.80s CPU 1.79s WALL ( 13812 calls) Called by h_psi: h_psi:vloc : 31.74s CPU 32.46s WALL ( 7359 calls) h_psi:vnl : 4.24s CPU 4.25s WALL ( 7359 calls) add_vuspsi : 2.37s CPU 2.37s WALL ( 7359 calls) General routines calbec : 1.84s CPU 1.86s WALL ( 7359 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 29.40s CPU 30.09s WALL ( 700740 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.14s WALL ( 764 calls) Parallel routines fft_scatter : 14.21s CPU 14.87s WALL ( 700763 calls) PWSCF : 1m27.22s CPU 1m44.33s WALL This run was terminated on: 21: 8:26 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=