Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 7:43 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: ./TiPt3.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 38 11 1690 1064 167 Max 53 39 13 1694 1074 169 Sum 1877 1369 405 60941 38497 6043 bravais-lattice index = 14 lattice parameter (alat) = 7.3643 a.u. unit-cell volume = 399.3813 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.364262 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ti 12.00 47.86700 Ti( 1.00) Pt 10.00 195.08400 Pt( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031746 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031746 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031746 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031746 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031746 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031746 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031746 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031746 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031746 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031746 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031746 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031746 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031746 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031746 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031746 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031746 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031746 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031746 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031746 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031746 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031746 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031746 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031746 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031746 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031746 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031746 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031746 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031746 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031746 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031746 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031746 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031746 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031746 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031746 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031746 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031746 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031746 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031746 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031746 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031746 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031746 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031746 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031746 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031746 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031746 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031746 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031746 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031746 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031746 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031746 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031746 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031746 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031746 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031746 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031746 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031746 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031746 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031746 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031746 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031746 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031746 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031746 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031746 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031746 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031746 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031746 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031746 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031746 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031746 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031746 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031746 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031746 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031746 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031746 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031746 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031746 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031746 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031746 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031746 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031746 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0031746 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0031746 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0031746 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0031746 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0031746 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0031746 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0031746 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0031746 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0031746 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0031746 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0031746 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0031746 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0031746 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0031746 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0031746 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0031746 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0031746 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0031746 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0031746 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0031746 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0031746 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0031746 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0031746 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0031746 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0031746 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0031746 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0031746 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0031746 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031746 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0031746 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0031746 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0031746 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0031746 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0031746 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0031746 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0031746 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0031746 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0031746 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0031746 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0031746 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0031746 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0031746 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0031746 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0031746 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0031746 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0031746 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0031746 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0031746 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0031746 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0031746 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0031746 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0031746 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0031746 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0031746 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0031746 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0031746 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 145) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031746 k( 146) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031746 k( 147) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031746 k( 148) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031746 k( 149) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031746 k( 150) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031746 k( 151) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031746 k( 152) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031746 k( 153) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031746 k( 154) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031746 k( 155) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031746 k( 156) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031746 k( 157) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031746 k( 158) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031746 k( 159) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031746 k( 160) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031746 k( 161) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031746 k( 162) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031746 k( 163) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031746 k( 164) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031746 k( 165) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031746 k( 166) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031746 k( 167) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031746 k( 168) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031746 k( 169) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031746 k( 170) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031746 k( 171) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031746 k( 172) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031746 k( 173) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031746 k( 174) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031746 k( 175) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031746 k( 176) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031746 k( 177) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031746 k( 178) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031746 k( 179) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031746 k( 180) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031746 k( 181) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031746 k( 182) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031746 k( 183) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031746 k( 184) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031746 k( 185) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031746 k( 186) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031746 k( 187) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031746 k( 188) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031746 k( 189) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031746 k( 190) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031746 k( 191) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031746 k( 192) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031746 k( 193) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031746 k( 194) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031746 k( 195) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031746 k( 196) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031746 k( 197) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031746 k( 198) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031746 k( 199) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031746 k( 200) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031746 k( 201) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031746 k( 202) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031746 k( 203) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031746 k( 204) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031746 k( 205) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031746 k( 206) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031746 k( 207) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031746 k( 208) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031746 k( 209) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031746 k( 210) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031746 k( 211) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031746 k( 212) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031746 k( 213) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031746 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 216) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031746 k( 217) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031746 k( 218) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031746 k( 219) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031746 k( 220) = ( 0.4568966 0.5000000 0.4568965), wk = 0.0031746 k( 221) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031746 k( 222) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031746 k( 223) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031746 k( 224) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031746 k( 225) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031746 k( 226) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031746 k( 227) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031746 k( 228) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031746 k( 229) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031746 k( 230) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031746 k( 231) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031746 k( 232) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031746 k( 233) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031746 k( 234) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031746 k( 235) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031746 k( 236) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031746 k( 237) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031746 k( 238) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031746 k( 239) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031746 k( 240) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031746 k( 241) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031746 k( 242) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031746 k( 243) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031746 k( 244) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031746 k( 245) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031746 k( 246) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031746 k( 247) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031746 k( 248) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031746 k( 249) = ( 0.2068966 0.5000000 0.2068965), wk = 0.0031746 k( 250) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031746 k( 251) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031746 k( 252) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031746 k( 253) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031746 k( 254) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031746 k( 255) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031746 k( 256) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031746 k( 257) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031746 k( 258) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031746 k( 259) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031746 k( 260) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031746 k( 261) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031746 k( 262) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031746 k( 263) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031746 k( 264) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031746 k( 265) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031746 k( 266) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031746 k( 267) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031746 k( 268) = ( 0.0431035 0.5000000 0.0431034), wk = 0.0031746 k( 269) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031746 k( 270) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031746 k( 271) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031746 k( 272) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031746 k( 273) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 274) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 275) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031746 k( 276) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031746 k( 277) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031746 k( 278) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031746 k( 279) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031746 k( 280) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031746 k( 281) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031746 k( 282) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031746 k( 283) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031746 k( 284) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031746 k( 285) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031746 k( 286) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031746 k( 287) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031746 k( 288) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031746 k( 289) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031746 k( 290) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031746 k( 291) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031746 k( 292) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031746 k( 293) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031746 k( 294) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031746 k( 295) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031746 k( 296) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031746 k( 297) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031746 k( 298) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031746 k( 299) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031746 k( 300) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031746 k( 301) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031746 k( 302) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031746 k( 303) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031746 k( 304) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031746 k( 305) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031746 k( 306) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031746 k( 307) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031746 k( 308) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031746 k( 309) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031746 k( 310) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031746 k( 311) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031746 k( 312) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031746 k( 313) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031746 k( 314) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031746 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031746 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031746 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031746 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031746 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031746 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031746 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031746 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031746 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031746 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031746 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031746 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031746 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031746 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031746 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031746 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031746 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031746 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031746 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031746 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031746 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031746 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031746 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031746 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031746 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031746 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031746 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031746 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031746 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031746 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031746 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031746 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031746 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031746 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031746 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031746 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031746 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031746 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031746 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031746 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031746 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031746 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031746 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031746 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031746 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031746 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031746 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031746 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031746 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031746 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031746 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031746 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031746 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031746 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031746 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031746 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031746 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031746 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031746 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031746 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031746 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031746 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031746 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031746 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031746 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0031746 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031746 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0031746 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031746 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031746 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031746 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031746 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031746 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031746 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031746 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031746 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031746 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031746 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031746 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0031746 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031746 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031746 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031746 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031746 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031746 k( 86) = ( 0.4913793 0.4913793 0.0000000), wk = 0.0031746 k( 87) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0031746 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0031746 k( 89) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0031746 k( 90) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0031746 k( 91) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0031746 k( 92) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0031746 k( 93) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0031746 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0031746 k( 95) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0031746 k( 96) = ( 0.4051724 0.4051724 0.0000000), wk = 0.0031746 k( 97) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0031746 k( 98) = ( 0.3879310 0.3879310 0.0000000), wk = 0.0031746 k( 99) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0031746 k( 100) = ( 0.3706897 0.3706897 0.0000000), wk = 0.0031746 k( 101) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0031746 k( 102) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0031746 k( 103) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0031746 k( 104) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0031746 k( 105) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0031746 k( 106) = ( 0.3189655 0.3189655 0.0000000), wk = 0.0031746 k( 107) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0031746 k( 108) = ( 0.3017241 0.3017241 0.0000000), wk = 0.0031746 k( 109) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0031746 k( 110) = ( 0.2844828 0.2844828 0.0000000), wk = 0.0031746 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0031746 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0031746 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0031746 k( 114) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0031746 k( 115) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0031746 k( 116) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0031746 k( 117) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0031746 k( 118) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0031746 k( 119) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0031746 k( 120) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0031746 k( 121) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0031746 k( 122) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0031746 k( 123) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0031746 k( 124) = ( 0.1637931 0.1637931 0.0000000), wk = 0.0031746 k( 125) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0031746 k( 126) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0031746 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0031746 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0031746 k( 129) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0031746 k( 130) = ( 0.1120690 0.1120690 0.0000000), wk = 0.0031746 k( 131) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0031746 k( 132) = ( 0.0948276 0.0948276 0.0000000), wk = 0.0031746 k( 133) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0031746 k( 134) = ( 0.0775862 0.0775862 0.0000000), wk = 0.0031746 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0031746 k( 136) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0031746 k( 137) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0031746 k( 138) = ( 0.0431035 0.0431035 0.0000000), wk = 0.0031746 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0031746 k( 140) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0031746 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0031746 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 145) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031746 k( 146) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031746 k( 147) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031746 k( 148) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031746 k( 149) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031746 k( 150) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031746 k( 151) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031746 k( 152) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031746 k( 153) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031746 k( 154) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031746 k( 155) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031746 k( 156) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031746 k( 157) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031746 k( 158) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031746 k( 159) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031746 k( 160) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031746 k( 161) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031746 k( 162) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031746 k( 163) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031746 k( 164) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031746 k( 165) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031746 k( 166) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031746 k( 167) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031746 k( 168) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031746 k( 169) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031746 k( 170) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031746 k( 171) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031746 k( 172) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031746 k( 173) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031746 k( 174) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031746 k( 175) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031746 k( 176) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031746 k( 177) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031746 k( 178) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031746 k( 179) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031746 k( 180) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031746 k( 181) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031746 k( 182) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031746 k( 183) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031746 k( 184) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031746 k( 185) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031746 k( 186) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031746 k( 187) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031746 k( 188) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031746 k( 189) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031746 k( 190) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031746 k( 191) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031746 k( 192) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031746 k( 193) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031746 k( 194) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031746 k( 195) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031746 k( 196) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031746 k( 197) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031746 k( 198) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031746 k( 199) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031746 k( 200) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031746 k( 201) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031746 k( 202) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031746 k( 203) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031746 k( 204) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031746 k( 205) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031746 k( 206) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031746 k( 207) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031746 k( 208) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031746 k( 209) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031746 k( 210) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031746 k( 211) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031746 k( 212) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031746 k( 213) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031746 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 216) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031746 k( 217) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031746 k( 218) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031746 k( 219) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031746 k( 220) = ( 0.4568966 0.5000000 0.4568966), wk = 0.0031746 k( 221) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031746 k( 222) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031746 k( 223) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031746 k( 224) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031746 k( 225) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031746 k( 226) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031746 k( 227) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031746 k( 228) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031746 k( 229) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031746 k( 230) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031746 k( 231) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031746 k( 232) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031746 k( 233) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031746 k( 234) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031746 k( 235) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031746 k( 236) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031746 k( 237) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031746 k( 238) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031746 k( 239) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031746 k( 240) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031746 k( 241) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031746 k( 242) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031746 k( 243) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031746 k( 244) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031746 k( 245) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031746 k( 246) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031746 k( 247) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031746 k( 248) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031746 k( 249) = ( 0.2068966 0.5000000 0.2068966), wk = 0.0031746 k( 250) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031746 k( 251) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031746 k( 252) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031746 k( 253) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031746 k( 254) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031746 k( 255) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031746 k( 256) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031746 k( 257) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031746 k( 258) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031746 k( 259) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031746 k( 260) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031746 k( 261) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031746 k( 262) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031746 k( 263) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031746 k( 264) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031746 k( 265) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031746 k( 266) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031746 k( 267) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031746 k( 268) = ( 0.0431035 0.5000000 0.0431035), wk = 0.0031746 k( 269) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031746 k( 270) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031746 k( 271) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031746 k( 272) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031746 k( 273) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031746 k( 274) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031746 k( 275) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031746 k( 276) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031746 k( 277) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031746 k( 278) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031746 k( 279) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031746 k( 280) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031746 k( 281) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031746 k( 282) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031746 k( 283) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031746 k( 284) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031746 k( 285) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031746 k( 286) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031746 k( 287) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031746 k( 288) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031746 k( 289) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031746 k( 290) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031746 k( 291) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031746 k( 292) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031746 k( 293) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031746 k( 294) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031746 k( 295) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031746 k( 296) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031746 k( 297) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031746 k( 298) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031746 k( 299) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031746 k( 300) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031746 k( 301) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031746 k( 302) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031746 k( 303) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031746 k( 304) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031746 k( 305) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031746 k( 306) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031746 k( 307) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031746 k( 308) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031746 k( 309) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031746 k( 310) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031746 k( 311) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031746 k( 312) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031746 k( 313) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031746 k( 314) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031746 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 Dense grid: 60941 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 38497 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 288, 50) NL pseudopotentials 0.30 Mb ( 144, 136) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1692) G-vector shells 0.00 Mb ( 383) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 288, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 136, 2, 50) The potential is recalculated from file : ./TiPt3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.0 secs Computing kpt #: 6 total cpu time spent up to now is 8.1 secs Computing kpt #: 7 total cpu time spent up to now is 9.2 secs Computing kpt #: 8 total cpu time spent up to now is 10.2 secs Computing kpt #: 9 total cpu time spent up to now is 11.2 secs Computing kpt #: 10 total cpu time spent up to now is 12.3 secs Computing kpt #: 11 total cpu time spent up to now is 13.2 secs Computing kpt #: 12 total cpu time spent up to now is 14.2 secs Computing kpt #: 13 total cpu time spent up to now is 15.2 secs Computing kpt #: 14 total cpu time spent up to now is 16.2 secs Computing kpt #: 15 total cpu time spent up to now is 17.4 secs Computing kpt #: 16 total cpu time spent up to now is 18.4 secs Computing kpt #: 17 total cpu time spent up to now is 19.3 secs Computing kpt #: 18 total cpu time spent up to now is 20.3 secs Computing kpt #: 19 total cpu time spent up to now is 21.2 secs Computing kpt #: 20 total cpu time spent up to now is 22.2 secs Computing kpt #: 21 total cpu time spent up to now is 23.3 secs Computing kpt #: 22 total cpu time spent up to now is 24.3 secs Computing kpt #: 23 total cpu time spent up to now is 25.3 secs Computing kpt #: 24 total cpu time spent up to now is 26.3 secs Computing kpt #: 25 total cpu time spent up to now is 27.3 secs Computing kpt #: 26 total cpu time spent up to now is 28.4 secs Computing kpt #: 27 total cpu time spent up to now is 29.4 secs Computing kpt #: 28 total cpu time spent up to now is 30.4 secs Computing kpt #: 29 total cpu time spent up to now is 31.4 secs Computing kpt #: 30 total cpu time spent up to now is 32.4 secs Computing kpt #: 31 total cpu time spent up to now is 33.4 secs Computing kpt #: 32 total cpu time spent up to now is 34.4 secs Computing kpt #: 33 total cpu time spent up to now is 35.3 secs Computing kpt #: 34 total cpu time spent up to now is 36.3 secs Computing kpt #: 35 total cpu time spent up to now is 37.3 secs Computing kpt #: 36 total cpu time spent up to now is 38.2 secs Computing kpt #: 37 total cpu time spent up to now is 39.1 secs Computing kpt #: 38 total cpu time spent up to now is 40.0 secs Computing kpt #: 39 total cpu time spent up to now is 40.9 secs Computing kpt #: 40 total cpu time spent up to now is 41.8 secs Computing kpt #: 41 total cpu time spent up to now is 42.7 secs Computing kpt #: 42 total cpu time spent up to now is 43.5 secs Computing kpt #: 43 total cpu time spent up to now is 44.4 secs Computing kpt #: 44 total cpu time spent up to now is 45.3 secs Computing kpt #: 45 total cpu time spent up to now is 46.1 secs Computing kpt #: 46 total cpu time spent up to now is 47.0 secs Computing kpt #: 47 total cpu time spent up to now is 47.9 secs Computing kpt #: 48 total cpu time spent up to now is 48.8 secs Computing kpt #: 49 total cpu time spent up to now is 49.7 secs Computing kpt #: 50 total cpu time spent up to now is 50.7 secs Computing kpt #: 51 total cpu time spent up to now is 51.6 secs Computing kpt #: 52 total cpu time spent up to now is 52.5 secs Computing kpt #: 53 total cpu time spent up to now is 53.4 secs Computing kpt #: 54 total cpu time spent up to now is 54.4 secs Computing kpt #: 55 total cpu time spent up to now is 55.4 secs Computing kpt #: 56 total cpu time spent up to now is 56.3 secs Computing kpt #: 57 total cpu time spent up to now is 57.3 secs Computing kpt #: 58 total cpu time spent up to now is 58.2 secs Computing kpt #: 59 total cpu time spent up to now is 59.2 secs Computing kpt #: 60 total cpu time spent up to now is 60.2 secs Computing kpt #: 61 total cpu time spent up to now is 61.1 secs Computing kpt #: 62 total cpu time spent up to now is 62.1 secs Computing kpt #: 63 total cpu time spent up to now is 63.1 secs Computing kpt #: 64 total cpu time spent up to now is 64.1 secs Computing kpt #: 65 total cpu time spent up to now is 65.0 secs Computing kpt #: 66 total cpu time spent up to now is 66.0 secs Computing kpt #: 67 total cpu time spent up to now is 67.0 secs Computing kpt #: 68 total cpu time spent up to now is 68.0 secs Computing kpt #: 69 total cpu time spent up to now is 68.9 secs Computing kpt #: 70 total cpu time spent up to now is 69.9 secs Computing kpt #: 71 total cpu time spent up to now is 70.8 secs Computing kpt #: 72 total cpu time spent up to now is 71.8 secs Computing kpt #: 73 total cpu time spent up to now is 72.7 secs Computing kpt #: 74 total cpu time spent up to now is 73.6 secs Computing kpt #: 75 total cpu time spent up to now is 74.5 secs Computing kpt #: 76 total cpu time spent up to now is 75.5 secs Computing kpt #: 77 total cpu time spent up to now is 76.4 secs Computing kpt #: 78 total cpu time spent up to now is 77.4 secs Computing kpt #: 79 total cpu time spent up to now is 78.3 secs Computing kpt #: 80 total cpu time spent up to now is 79.3 secs Computing kpt #: 81 total cpu time spent up to now is 80.3 secs Computing kpt #: 82 total cpu time spent up to now is 81.3 secs Computing kpt #: 83 total cpu time spent up to now is 82.2 secs Computing kpt #: 84 total cpu time spent up to now is 83.0 secs Computing kpt #: 85 total cpu time spent up to now is 83.8 secs Computing kpt #: 86 total cpu time spent up to now is 84.8 secs Computing kpt #: 87 total cpu time spent up to now is 85.5 secs Computing kpt #: 88 total cpu time spent up to now is 86.5 secs Computing kpt #: 89 total cpu time spent up to now is 87.4 secs Computing kpt #: 90 total cpu time spent up to now is 88.2 secs Computing kpt #: 91 total cpu time spent up to now is 89.1 secs Computing kpt #: 92 total cpu time spent up to now is 89.9 secs Computing kpt #: 93 total cpu time spent up to now is 90.8 secs Computing kpt #: 94 total cpu time spent up to now is 91.7 secs Computing kpt #: 95 total cpu time spent up to now is 92.9 secs Computing kpt #: 96 total cpu time spent up to now is 93.8 secs Computing kpt #: 97 total cpu time spent up to now is 94.7 secs Computing kpt #: 98 total cpu time spent up to now is 95.6 secs Computing kpt #: 99 total cpu time spent up to now is 96.6 secs Computing kpt #: 100 total cpu time spent up to now is 97.5 secs Computing kpt #: 101 total cpu time spent up to now is 98.5 secs Computing kpt #: 102 total cpu time spent up to now is 99.5 secs Computing kpt #: 103 total cpu time spent up to now is 100.5 secs Computing kpt #: 104 total cpu time spent up to now is 101.5 secs Computing kpt #: 105 total cpu time spent up to now is 102.5 secs Computing kpt #: 106 total cpu time spent up to now is 103.5 secs Computing kpt #: 107 total cpu time spent up to now is 104.5 secs Computing kpt #: 108 total cpu time spent up to now is 105.5 secs Computing kpt #: 109 total cpu time spent up to now is 106.6 secs Computing kpt #: 110 total cpu time spent up to now is 107.6 secs Computing kpt #: 111 total cpu time spent up to now is 108.6 secs Computing kpt #: 112 total cpu time spent up to now is 109.5 secs Computing kpt #: 113 total cpu time spent up to now is 110.5 secs Computing kpt #: 114 total cpu time spent up to now is 111.6 secs Computing kpt #: 115 total cpu time spent up to now is 112.6 secs Computing kpt #: 116 total cpu time spent up to now is 113.5 secs Computing kpt #: 117 total cpu time spent up to now is 114.4 secs Computing kpt #: 118 total cpu time spent up to now is 115.4 secs Computing kpt #: 119 total cpu time spent up to now is 116.4 secs Computing kpt #: 120 total cpu time spent up to now is 117.4 secs Computing kpt #: 121 total cpu time spent up to now is 118.3 secs Computing kpt #: 122 total cpu time spent up to now is 119.3 secs Computing kpt #: 123 total cpu time spent up to now is 120.3 secs Computing kpt #: 124 total cpu time spent up to now is 121.3 secs Computing kpt #: 125 total cpu time spent up to now is 122.2 secs Computing kpt #: 126 total cpu time spent up to now is 123.2 secs Computing kpt #: 127 total cpu time spent up to now is 124.3 secs Computing kpt #: 128 total cpu time spent up to now is 125.7 secs Computing kpt #: 129 total cpu time spent up to now is 126.7 secs Computing kpt #: 130 total cpu time spent up to now is 128.1 secs Computing kpt #: 131 total cpu time spent up to now is 129.4 secs Computing kpt #: 132 total cpu time spent up to now is 130.7 secs Computing kpt #: 133 total cpu time spent up to now is 131.8 secs Computing kpt #: 134 total cpu time spent up to now is 133.0 secs Computing kpt #: 135 total cpu time spent up to now is 134.2 secs Computing kpt #: 136 total cpu time spent up to now is 135.4 secs Computing kpt #: 137 total cpu time spent up to now is 136.4 secs Computing kpt #: 138 total cpu time spent up to now is 137.6 secs Computing kpt #: 139 total cpu time spent up to now is 139.6 secs Computing kpt #: 140 total cpu time spent up to now is 140.7 secs Computing kpt #: 141 total cpu time spent up to now is 141.9 secs Computing kpt #: 142 total cpu time spent up to now is 142.8 secs Computing kpt #: 143 total cpu time spent up to now is 143.8 secs Computing kpt #: 144 total cpu time spent up to now is 144.8 secs Computing kpt #: 145 total cpu time spent up to now is 145.8 secs Computing kpt #: 146 total cpu time spent up to now is 146.9 secs Computing kpt #: 147 total cpu time spent up to now is 148.1 secs Computing kpt #: 148 total cpu time spent up to now is 149.2 secs Computing kpt #: 149 total cpu time spent up to now is 150.3 secs Computing kpt #: 150 total cpu time spent up to now is 151.4 secs Computing kpt #: 151 total cpu time spent up to now is 152.4 secs Computing kpt #: 152 total cpu time spent up to now is 153.4 secs Computing kpt #: 153 total cpu time spent up to now is 154.4 secs Computing kpt #: 154 total cpu time spent up to now is 155.4 secs Computing kpt #: 155 total cpu time spent up to now is 156.4 secs Computing kpt #: 156 total cpu time spent up to now is 157.3 secs Computing kpt #: 157 total cpu time spent up to now is 158.2 secs Computing kpt #: 158 total cpu time spent up to now is 159.1 secs Computing kpt #: 159 total cpu time spent up to now is 160.0 secs Computing kpt #: 160 total cpu time spent up to now is 160.9 secs Computing kpt #: 161 total cpu time spent up to now is 161.7 secs Computing kpt #: 162 total cpu time spent up to now is 162.6 secs Computing kpt #: 163 total cpu time spent up to now is 163.5 secs Computing kpt #: 164 total cpu time spent up to now is 164.4 secs Computing kpt #: 165 total cpu time spent up to now is 165.2 secs Computing kpt #: 166 total cpu time spent up to now is 166.1 secs Computing kpt #: 167 total cpu time spent up to now is 166.9 secs Computing kpt #: 168 total cpu time spent up to now is 167.8 secs Computing kpt #: 169 total cpu time spent up to now is 168.7 secs Computing kpt #: 170 total cpu time spent up to now is 169.6 secs Computing kpt #: 171 total cpu time spent up to now is 170.5 secs Computing kpt #: 172 total cpu time spent up to now is 171.3 secs Computing kpt #: 173 total cpu time spent up to now is 172.2 secs Computing kpt #: 174 total cpu time spent up to now is 173.1 secs Computing kpt #: 175 total cpu time spent up to now is 173.9 secs Computing kpt #: 176 total cpu time spent up to now is 174.7 secs Computing kpt #: 177 total cpu time spent up to now is 175.5 secs Computing kpt #: 178 total cpu time spent up to now is 176.4 secs Computing kpt #: 179 total cpu time spent up to now is 177.2 secs Computing kpt #: 180 total cpu time spent up to now is 178.1 secs Computing kpt #: 181 total cpu time spent up to now is 179.0 secs Computing kpt #: 182 total cpu time spent up to now is 179.8 secs Computing kpt #: 183 total cpu time spent up to now is 180.7 secs Computing kpt #: 184 total cpu time spent up to now is 181.5 secs Computing kpt #: 185 total cpu time spent up to now is 182.4 secs Computing kpt #: 186 total cpu time spent up to now is 183.3 secs Computing kpt #: 187 total cpu time spent up to now is 184.2 secs Computing kpt #: 188 total cpu time spent up to now is 185.0 secs Computing kpt #: 189 total cpu time spent up to now is 185.9 secs Computing kpt #: 190 total cpu time spent up to now is 186.8 secs Computing kpt #: 191 total cpu time spent up to now is 187.7 secs Computing kpt #: 192 total cpu time spent up to now is 188.6 secs Computing kpt #: 193 total cpu time spent up to now is 189.5 secs Computing kpt #: 194 total cpu time spent up to now is 190.5 secs Computing kpt #: 195 total cpu time spent up to now is 191.5 secs Computing kpt #: 196 total cpu time spent up to now is 192.5 secs Computing kpt #: 197 total cpu time spent up to now is 193.5 secs Computing kpt #: 198 total cpu time spent up to now is 194.4 secs Computing kpt #: 199 total cpu time spent up to now is 195.4 secs Computing kpt #: 200 total cpu time spent up to now is 196.4 secs Computing kpt #: 201 total cpu time spent up to now is 197.5 secs Computing kpt #: 202 total cpu time spent up to now is 198.5 secs Computing kpt #: 203 total cpu time spent up to now is 199.5 secs Computing kpt #: 204 total cpu time spent up to now is 200.6 secs Computing kpt #: 205 total cpu time spent up to now is 201.6 secs Computing kpt #: 206 total cpu time spent up to now is 202.8 secs Computing kpt #: 207 total cpu time spent up to now is 203.8 secs Computing kpt #: 208 total cpu time spent up to now is 204.9 secs Computing kpt #: 209 total cpu time spent up to now is 206.3 secs Computing kpt #: 210 total cpu time spent up to now is 207.3 secs Computing kpt #: 211 total cpu time spent up to now is 209.0 secs Computing kpt #: 212 total cpu time spent up to now is 210.0 secs Computing kpt #: 213 total cpu time spent up to now is 211.0 secs Computing kpt #: 214 total cpu time spent up to now is 212.0 secs Computing kpt #: 215 total cpu time spent up to now is 213.0 secs Computing kpt #: 216 total cpu time spent up to now is 214.2 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.0 secs Computing kpt #: 218 total cpu time spent up to now is 217.8 secs Computing kpt #: 219 total cpu time spent up to now is 219.5 secs Computing kpt #: 220 total cpu time spent up to now is 220.9 secs Computing kpt #: 221 total cpu time spent up to now is 222.1 secs Computing kpt #: 222 total cpu time spent up to now is 223.3 secs Computing kpt #: 223 total cpu time spent up to now is 224.3 secs Computing kpt #: 224 total cpu time spent up to now is 225.5 secs Computing kpt #: 225 total cpu time spent up to now is 226.6 secs Computing kpt #: 226 total cpu time spent up to now is 227.6 secs Computing kpt #: 227 total cpu time spent up to now is 228.9 secs Computing kpt #: 228 total cpu time spent up to now is 230.0 secs Computing kpt #: 229 total cpu time spent up to now is 231.0 secs Computing kpt #: 230 total cpu time spent up to now is 232.0 secs Computing kpt #: 231 total cpu time spent up to now is 233.2 secs Computing kpt #: 232 total cpu time spent up to now is 234.3 secs Computing kpt #: 233 total cpu time spent up to now is 235.4 secs Computing kpt #: 234 total cpu time spent up to now is 236.5 secs Computing kpt #: 235 total cpu time spent up to now is 237.8 secs Computing kpt #: 236 total cpu time spent up to now is 238.8 secs Computing kpt #: 237 total cpu time spent up to now is 240.0 secs Computing kpt #: 238 total cpu time spent up to now is 241.2 secs Computing kpt #: 239 total cpu time spent up to now is 242.2 secs Computing kpt #: 240 total cpu time spent up to now is 243.2 secs Computing kpt #: 241 total cpu time spent up to now is 244.2 secs Computing kpt #: 242 total cpu time spent up to now is 245.4 secs Computing kpt #: 243 total cpu time spent up to now is 246.7 secs Computing kpt #: 244 total cpu time spent up to now is 247.9 secs Computing kpt #: 245 total cpu time spent up to now is 248.9 secs Computing kpt #: 246 total cpu time spent up to now is 250.1 secs Computing kpt #: 247 total cpu time spent up to now is 251.3 secs Computing kpt #: 248 total cpu time spent up to now is 252.3 secs Computing kpt #: 249 total cpu time spent up to now is 253.5 secs Computing kpt #: 250 total cpu time spent up to now is 254.5 secs Computing kpt #: 251 total cpu time spent up to now is 255.5 secs Computing kpt #: 252 total cpu time spent up to now is 256.5 secs Computing kpt #: 253 total cpu time spent up to now is 257.9 secs Computing kpt #: 254 total cpu time spent up to now is 258.9 secs Computing kpt #: 255 total cpu time spent up to now is 259.9 secs Computing kpt #: 256 total cpu time spent up to now is 260.9 secs Computing kpt #: 257 total cpu time spent up to now is 261.9 secs Computing kpt #: 258 total cpu time spent up to now is 263.4 secs Computing kpt #: 259 total cpu time spent up to now is 264.4 secs Computing kpt #: 260 total cpu time spent up to now is 265.4 secs Computing kpt #: 261 total cpu time spent up to now is 266.4 secs Computing kpt #: 262 total cpu time spent up to now is 267.4 secs Computing kpt #: 263 total cpu time spent up to now is 268.3 secs Computing kpt #: 264 total cpu time spent up to now is 269.3 secs Computing kpt #: 265 total cpu time spent up to now is 270.2 secs Computing kpt #: 266 total cpu time spent up to now is 271.1 secs Computing kpt #: 267 total cpu time spent up to now is 272.0 secs Computing kpt #: 268 total cpu time spent up to now is 272.9 secs Computing kpt #: 269 total cpu time spent up to now is 273.8 secs Computing kpt #: 270 total cpu time spent up to now is 274.6 secs Computing kpt #: 271 total cpu time spent up to now is 275.4 secs Computing kpt #: 272 total cpu time spent up to now is 276.2 secs Computing kpt #: 273 total cpu time spent up to now is 277.1 secs Computing kpt #: 274 total cpu time spent up to now is 277.9 secs Computing kpt #: 275 total cpu time spent up to now is 278.8 secs Computing kpt #: 276 total cpu time spent up to now is 279.6 secs Computing kpt #: 277 total cpu time spent up to now is 280.3 secs Computing kpt #: 278 total cpu time spent up to now is 281.3 secs Computing kpt #: 279 total cpu time spent up to now is 282.3 secs Computing kpt #: 280 total cpu time spent up to now is 283.3 secs Computing kpt #: 281 total cpu time spent up to now is 284.2 secs Computing kpt #: 282 total cpu time spent up to now is 285.2 secs Computing kpt #: 283 total cpu time spent up to now is 286.2 secs Computing kpt #: 284 total cpu time spent up to now is 287.2 secs Computing kpt #: 285 total cpu time spent up to now is 288.2 secs Computing kpt #: 286 total cpu time spent up to now is 289.2 secs Computing kpt #: 287 total cpu time spent up to now is 290.2 secs Computing kpt #: 288 total cpu time spent up to now is 291.3 secs Computing kpt #: 289 total cpu time spent up to now is 292.3 secs Computing kpt #: 290 total cpu time spent up to now is 293.3 secs Computing kpt #: 291 total cpu time spent up to now is 294.4 secs Computing kpt #: 292 total cpu time spent up to now is 295.4 secs Computing kpt #: 293 total cpu time spent up to now is 296.5 secs Computing kpt #: 294 total cpu time spent up to now is 297.6 secs Computing kpt #: 295 total cpu time spent up to now is 298.8 secs Computing kpt #: 296 total cpu time spent up to now is 299.8 secs Computing kpt #: 297 total cpu time spent up to now is 301.1 secs Computing kpt #: 298 total cpu time spent up to now is 302.4 secs Computing kpt #: 299 total cpu time spent up to now is 303.8 secs Computing kpt #: 300 total cpu time spent up to now is 305.1 secs Computing kpt #: 301 total cpu time spent up to now is 306.2 secs Computing kpt #: 302 total cpu time spent up to now is 307.2 secs Computing kpt #: 303 total cpu time spent up to now is 308.2 secs Computing kpt #: 304 total cpu time spent up to now is 309.3 secs Computing kpt #: 305 total cpu time spent up to now is 310.3 secs Computing kpt #: 306 total cpu time spent up to now is 311.3 secs Computing kpt #: 307 total cpu time spent up to now is 312.4 secs Computing kpt #: 308 total cpu time spent up to now is 313.7 secs Computing kpt #: 309 total cpu time spent up to now is 314.8 secs Computing kpt #: 310 total cpu time spent up to now is 316.2 secs Computing kpt #: 311 total cpu time spent up to now is 317.8 secs Computing kpt #: 312 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.7 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 321.5 secs Computing kpt #: 314 total cpu time spent up to now is 322.5 secs Computing kpt #: 315 total cpu time spent up to now is 323.5 secs ethr = 2.38E-08, avg # of iterations = 39.2 total cpu time spent up to now is 323.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4801 PWs) bands (ev): -39.7236 -39.7236 -16.3873 -16.3873 -15.7299 -15.7299 -15.7299 -15.7299 8.1334 8.1334 10.8618 10.8618 11.2056 11.2056 11.2056 11.2056 11.4511 11.4511 11.6156 11.6156 11.6156 11.6156 14.4607 14.4607 14.4607 14.4607 15.1573 15.1573 16.8112 16.8112 16.8112 16.8112 17.8801 17.8801 18.0927 18.0927 18.5494 18.5494 18.5494 18.5494 19.5370 19.5370 19.5370 19.5370 19.9413 19.9413 19.9413 19.9413 20.3509 20.3509 k = 0.0000 0.0122-0.0000 ( 4849 PWs) bands (ev): -39.7236 -39.7236 -16.3873 -16.3873 -15.7299 -15.7299 -15.7299 -15.7299 8.1354 8.1354 10.8631 10.8631 11.2064 11.2064 11.2071 11.2071 11.4521 11.4521 11.6165 11.6165 11.6167 11.6167 14.4602 14.4602 14.4612 14.4612 15.1573 15.1573 16.8096 16.8096 16.8112 16.8112 17.8781 17.8781 18.0856 18.0856 18.5332 18.5332 18.5450 18.5450 19.5358 19.5358 19.5449 19.5449 19.9359 19.9359 19.9412 19.9412 20.3209 20.3209 k = 0.0000 0.0244-0.0000 ( 4857 PWs) bands (ev): -39.7236 -39.7236 -16.3874 -16.3874 -15.7300 -15.7300 -15.7299 -15.7299 8.1414 8.1414 10.8669 10.8669 11.2088 11.2088 11.2118 11.2118 11.4552 11.4552 11.6194 11.6194 11.6203 11.6203 14.4588 14.4588 14.4627 14.4627 15.1572 15.1572 16.8048 16.8048 16.8113 16.8113 17.8722 17.8722 18.0639 18.0639 18.4870 18.4870 18.5327 18.5327 19.5312 19.5312 19.5657 19.5657 19.9192 19.9192 19.9408 19.9408 20.2623 20.2623 k = 0.0000 0.0366-0.0000 ( 4865 PWs) bands (ev): -39.7236 -39.7236 -16.3875 -16.3875 -15.7302 -15.7302 -15.7299 -15.7299 8.1512 8.1512 10.8732 10.8732 11.2127 11.2127 11.2194 11.2194 11.4604 11.4604 11.6241 11.6241 11.6261 11.6261 14.4564 14.4564 14.4651 14.4651 15.1572 15.1572 16.7968 16.7968 16.8115 16.8115 17.8623 17.8623 18.0271 18.0271 18.4168 18.4168 18.5151 18.5151 19.5201 19.5201 19.5928 19.5928 19.8908 19.8908 19.9398 19.9398 20.2024 20.2024 k = 0.0000 0.0488-0.0000 ( 4861 PWs) bands (ev): -39.7236 -39.7236 -16.3876 -16.3876 -15.7304 -15.7304 -15.7300 -15.7300 8.1651 8.1651 10.8821 10.8821 11.2181 11.2181 11.2301 11.2301 11.4676 11.4676 11.6309 11.6309 11.6344 11.6344 14.4529 14.4529 14.4685 14.4685 15.1572 15.1572 16.7857 16.7857 16.8116 16.8116 17.8481 17.8481 17.9747 17.9747 18.3293 18.3293 18.4954 18.4954 19.4975 19.4975 19.6191 19.6191 19.8519 19.8519 19.9377 19.9377 20.1497 20.1497 k = 0.0000 0.0610-0.0000 ( 4861 PWs) bands (ev): -39.7235 -39.7235 -16.3877 -16.3877 -15.7307 -15.7307 -15.7300 -15.7300 8.1828 8.1828 10.8934 10.8934 11.2251 11.2251 11.2438 11.2438 11.4769 11.4769 11.6395 11.6395 11.6450 11.6450 14.4483 14.4483 14.4729 14.4729 15.1573 15.1573 16.7715 16.7715 16.8116 16.8116 17.8294 17.8294 17.9072 17.9072 18.2306 18.2306 18.4758 18.4758 19.4580 19.4580 19.6393 19.6393 19.8067 19.8067 19.9335 19.9335 20.1057 20.1057 k = 0.0000 0.0732-0.0000 ( 4861 PWs) bands (ev): -39.7235 -39.7235 -16.3879 -16.3879 -15.7310 -15.7310 -15.7301 -15.7301 8.2045 8.2045 10.9072 10.9072 11.2335 11.2335 11.2605 11.2605 11.4881 11.4881 11.6502 11.6502 11.6579 11.6579 14.4425 14.4425 14.4781 14.4781 15.1577 15.1577 16.7542 16.7542 16.8113 16.8113 17.8053 17.8053 17.8260 17.8260 18.1254 18.1254 18.4575 18.4575 19.3969 19.3969 19.6509 19.6509 19.7614 19.7614 19.9264 19.9264 20.0686 20.0686 k = 0.0000 0.0854-0.0000 ( 4853 PWs) bands (ev): -39.7235 -39.7235 -16.3881 -16.3881 -15.7314 -15.7314 -15.7302 -15.7302 8.2300 8.2300 10.9234 10.9234 11.2434 11.2434 11.2801 11.2801 11.5013 11.5013 11.6629 11.6629 11.6732 11.6732 14.4355 14.4355 14.4841 14.4841 15.1582 15.1582 16.7339 16.7339 16.8105 16.8105 17.7330 17.7330 17.7741 17.7741 18.0186 18.0186 18.4405 18.4405 19.3139 19.3139 19.6536 19.6536 19.7194 19.7194 19.9157 19.9157 20.0358 20.0358 k = 0.0000 0.0976-0.0000 ( 4849 PWs) bands (ev): -39.7234 -39.7234 -16.3883 -16.3883 -15.7319 -15.7319 -15.7303 -15.7303 8.2594 8.2594 10.9419 10.9419 11.2546 11.2546 11.3025 11.3025 11.5163 11.5163 11.6777 11.6777 11.6909 11.6909 14.4271 14.4271 14.4909 14.4909 15.1591 15.1591 16.7107 16.7107 16.8090 16.8090 17.6306 17.6306 17.7317 17.7317 17.9167 17.9167 18.4240 18.4240 19.2124 19.2124 19.6479 19.6479 19.6802 19.6802 19.9010 19.9010 20.0048 20.0048 k = 0.0000 0.1098-0.0000 ( 4849 PWs) bands (ev): -39.7234 -39.7234 -16.3886 -16.3886 -15.7324 -15.7324 -15.7304 -15.7304 8.2925 8.2925 10.9628 10.9628 11.2672 11.2672 11.3277 11.3277 11.5333 11.5333 11.6946 11.6946 11.7108 11.7108 14.4172 14.4172 14.4984 14.4984 15.1604 15.1604 16.6846 16.6846 16.8062 16.8062 17.5206 17.5206 17.6703 17.6703 17.8294 17.8294 18.4064 18.4064 19.0982 19.0982 19.6348 19.6348 19.6418 19.6418 19.8826 19.8826 19.9743 19.9743 k = 0.0000 0.1220-0.0000 ( 4849 PWs) bands (ev): -39.7234 -39.7234 -16.3889 -16.3889 -15.7330 -15.7330 -15.7305 -15.7305 8.3295 8.3295 10.9858 10.9858 11.2810 11.2810 11.3554 11.3554 11.5520 11.5520 11.7137 11.7137 11.7331 11.7331 14.4057 14.4057 14.5065 14.5065 15.1621 15.1621 16.6557 16.6557 16.8016 16.8016 17.4047 17.4047 17.5857 17.5857 17.7627 17.7627 18.3853 18.3853 18.9771 18.9771 19.6024 19.6024 19.6152 19.6152 19.8608 19.8608 19.9433 19.9433 k = 0.0000 0.1341-0.0000 ( 4849 PWs) bands (ev): -39.7233 -39.7233 -16.3892 -16.3892 -15.7336 -15.7336 -15.7306 -15.7306 8.3701 8.3701 11.0110 11.0110 11.2960 11.2960 11.3857 11.3857 11.5726 11.5726 11.7351 11.7351 11.7578 11.7578 14.3926 14.3926 14.5150 14.5150 15.1642 15.1642 16.6242 16.6242 16.7939 16.7939 17.2844 17.2844 17.4871 17.4871 17.7094 17.7094 18.3566 18.3566 18.8558 18.8558 19.5607 19.5607 19.5898 19.5898 19.8364 19.8364 19.9112 19.9112 k = 0.0000 0.1463-0.0000 ( 4837 PWs) bands (ev): -39.7233 -39.7233 -16.3895 -16.3895 -15.7343 -15.7343 -15.7307 -15.7307 8.4144 8.4144 11.0383 11.0383 11.3120 11.3120 11.4184 11.4184 11.5949 11.5949 11.7588 11.7588 11.7848 11.7848 14.3779 14.3779 14.5239 14.5239 15.1667 15.1667 16.5903 16.5903 16.7815 16.7815 17.1607 17.1607 17.3857 17.3857 17.6607 17.6607 18.3132 18.3132 18.7436 18.7436 19.5163 19.5163 19.5590 19.5590 19.8099 19.8099 19.8779 19.8779 k = 0.0000 0.1585-0.0000 ( 4841 PWs) bands (ev): -39.7232 -39.7232 -16.3899 -16.3899 -15.7349 -15.7349 -15.7309 -15.7309 8.4623 8.4623 11.0675 11.0675 11.3291 11.3291 11.4531 11.4531 11.6190 11.6190 11.7848 11.7848 11.8141 11.8141 14.3614 14.3614 14.5330 14.5330 15.1695 15.1695 16.5539 16.5539 16.7618 16.7618 17.0345 17.0345 17.2891 17.2891 17.6122 17.6122 18.2451 18.2451 18.6517 18.6517 19.4692 19.4692 19.5234 19.5234 19.7820 19.7820 19.8431 19.8431 k = 0.0000 0.1707-0.0000 ( 4833 PWs) bands (ev): -39.7231 -39.7231 -16.3903 -16.3903 -15.7357 -15.7357 -15.7310 -15.7310 8.5138 8.5138 11.0985 11.0985 11.3470 11.3470 11.4897 11.4897 11.6450 11.6450 11.8133 11.8133 11.8457 11.8457 14.3433 14.3433 14.5422 14.5422 15.1724 15.1724 16.5154 16.5154 16.7311 16.7311 16.9065 16.9065 17.2030 17.2030 17.5625 17.5625 18.1467 18.1467 18.5873 18.5873 19.4193 19.4193 19.4834 19.4834 19.7533 19.7533 19.8068 19.8068 k = 0.0000 0.1829-0.0000 ( 4837 PWs) bands (ev): -39.7231 -39.7231 -16.3907 -16.3907 -15.7364 -15.7364 -15.7311 -15.7311 8.5686 8.5686 11.1311 11.1311 11.3658 11.3658 11.5278 11.5278 11.6730 11.6730 11.8441 11.8441 11.8796 11.8796 14.3234 14.3234 14.5512 14.5512 15.1752 15.1752 16.4748 16.4748 16.6859 16.6859 16.7773 16.7773 17.1324 17.1324 17.5109 17.5109 18.0225 18.0225 18.5469 18.5469 19.3671 19.3671 19.4393 19.4393 19.7240 19.7240 19.7690 19.7690 k = 0.0000 0.1951-0.0000 ( 4837 PWs) bands (ev): -39.7230 -39.7230 -16.3911 -16.3911 -15.7372 -15.7372 -15.7313 -15.7313 8.6269 8.6269 11.1653 11.1653 11.3852 11.3852 11.5668 11.5668 11.7034 11.7034 11.8774 11.8774 11.9158 11.9158 14.3019 14.3019 14.5598 14.5598 15.1775 15.1775 16.4323 16.4323 16.6244 16.6244 16.6473 16.6473 17.0795 17.0795 17.4574 17.4574 17.8821 17.8821 18.5219 18.5219 19.3127 19.3127 19.3916 19.3916 19.6946 19.6946 19.7299 19.7299 k = 0.0000 0.2073-0.0000 ( 4833 PWs) bands (ev): -39.7230 -39.7230 -16.3915 -16.3915 -15.7380 -15.7380 -15.7314 -15.7314 8.6883 8.6883 11.2007 11.2007 11.4053 11.4053 11.6063 11.6063 11.7364 11.7364 11.9132 11.9132 11.9544 11.9544 14.2789 14.2789 14.5677 14.5677 15.1788 15.1788 16.3881 16.3881 16.5172 16.5172 16.5492 16.5492 17.0423 17.0423 17.4024 17.4024 17.7330 17.7330 18.5059 18.5059 19.2565 19.2565 19.3408 19.3408 19.6651 19.6651 19.6896 19.6896 k = 0.0000 0.2195-0.0000 ( 4821 PWs) bands (ev): -39.7229 -39.7229 -16.3919 -16.3919 -15.7388 -15.7388 -15.7316 -15.7316 8.7530 8.7530 11.2372 11.2372 11.4260 11.4260 11.6456 11.6456 11.7725 11.7725 11.9513 11.9513 11.9952 11.9952 14.2544 14.2544 14.5747 14.5747 15.1785 15.1785 16.3407 16.3407 16.3887 16.3887 16.4651 16.4651 17.0160 17.0160 17.3467 17.3467 17.5797 17.5797 18.4951 18.4951 19.1989 19.1989 19.2873 19.2873 19.6358 19.6358 19.6481 19.6481 k = 0.0000 0.2317-0.0000 ( 4825 PWs) bands (ev): -39.7228 -39.7228 -16.3924 -16.3924 -15.7397 -15.7397 -15.7318 -15.7318 8.8206 8.8206 11.2744 11.2744 11.4472 11.4472 11.6841 11.6841 11.8122 11.8122 11.9917 11.9917 12.0382 12.0382 14.2286 14.2286 14.5803 14.5803 15.1758 15.1758 16.2511 16.2511 16.3017 16.3017 16.3772 16.3772 16.9954 16.9954 17.2916 17.2916 17.4252 17.4252 18.4875 18.4875 19.1403 19.1403 19.2317 19.2317 19.6058 19.6058 19.6068 19.6068 k = 0.0000 0.2439-0.0000 ( 4817 PWs) bands (ev): -39.7228 -39.7228 -16.3928 -16.3928 -15.7405 -15.7405 -15.7319 -15.7319 8.8911 8.8911 11.3119 11.3119 11.4690 11.4690 11.7213 11.7213 11.8556 11.8556 12.0344 12.0344 12.0836 12.0836 14.2016 14.2016 14.5842 14.5842 15.1695 15.1695 16.1229 16.1229 16.2530 16.2530 16.2897 16.2897 16.9752 16.9752 17.2394 17.2394 17.2714 17.2714 18.4821 18.4821 19.0809 19.0809 19.1743 19.1743 19.5628 19.5628 19.5783 19.5783 k = 0.0000 0.2561-0.0000 ( 4817 PWs) bands (ev): -39.7227 -39.7227 -16.3932 -16.3932 -15.7413 -15.7413 -15.7321 -15.7321 8.9643 8.9643 11.3491 11.3491 11.4914 11.4914 11.7572 11.7572 11.9027 11.9027 12.0790 12.0790 12.1311 12.1311 14.1736 14.1736 14.5860 14.5860 15.1585 15.1585 15.9937 15.9937 16.2057 16.2057 16.2059 16.2059 16.9502 16.9502 17.1198 17.1198 17.1936 17.1936 18.4781 18.4781 19.0212 19.0212 19.1156 19.1156 19.5194 19.5194 19.5502 19.5502 k = 0.0000 0.2683-0.0000 ( 4829 PWs) bands (ev): -39.7226 -39.7226 -16.3937 -16.3937 -15.7422 -15.7422 -15.7323 -15.7323 9.0400 9.0400 11.3853 11.3853 11.5150 11.5150 11.7919 11.7919 11.9531 11.9531 12.1256 12.1256 12.1809 12.1809 14.1448 14.1448 14.5851 14.5851 15.1412 15.1412 15.8651 15.8651 16.1284 16.1284 16.1588 16.1588 16.9155 16.9155 16.9716 16.9716 17.1581 17.1581 18.4752 18.4752 18.9615 18.9615 19.0561 19.0561 19.4757 19.4757 19.5227 19.5227 k = 0.0000 0.2805-0.0000 ( 4829 PWs) bands (ev): -39.7226 -39.7226 -16.3941 -16.3941 -15.7430 -15.7430 -15.7324 -15.7324 9.1180 9.1180 11.4195 11.4195 11.5400 11.5400 11.8255 11.8255 12.0064 12.0064 12.1737 12.1737 12.2329 12.2329 14.1154 14.1154 14.5809 14.5809 15.1162 15.1162 15.7376 15.7376 16.0596 16.0596 16.1124 16.1124 16.8280 16.8280 16.8688 16.8688 17.1347 17.1347 18.4732 18.4732 18.9020 18.9020 18.9961 18.9961 19.4320 19.4320 19.4959 19.4959 k = 0.0000 0.2927-0.0000 ( 4825 PWs) bands (ev): -39.7225 -39.7225 -16.3945 -16.3945 -15.7438 -15.7438 -15.7326 -15.7326 9.1981 9.1981 11.4506 11.4506 11.5672 11.5672 11.8584 11.8584 12.0622 12.0622 12.2233 12.2233 12.2870 12.2870 14.0857 14.0857 14.5728 14.5728 15.0824 15.0824 15.6116 15.6116 16.0010 16.0010 16.0670 16.0670 16.6898 16.6898 16.8114 16.8114 17.1219 17.1219 18.4718 18.4718 18.8433 18.8433 18.9360 18.9360 19.3885 19.3885 19.4699 19.4699 k = 0.0000 0.3049-0.0000 ( 4833 PWs) bands (ev): -39.7224 -39.7224 -16.3950 -16.3950 -15.7446 -15.7446 -15.7327 -15.7327 9.2801 9.2801 11.4776 11.4776 11.5971 11.5971 11.8906 11.8906 12.1200 12.1200 12.2739 12.2739 12.3433 12.3433 14.0557 14.0557 14.5602 14.5602 15.0390 15.0390 15.4875 15.4875 15.9538 15.9538 16.0228 16.0228 16.5582 16.5582 16.7465 16.7465 17.1166 17.1166 18.4709 18.4709 18.7855 18.7855 18.8763 18.8763 19.3456 19.3456 19.4448 19.4448 k = 0.0000 0.3171-0.0000 ( 4837 PWs) bands (ev): -39.7224 -39.7224 -16.3954 -16.3954 -15.7454 -15.7454 -15.7329 -15.7329 9.3635 9.3635 11.4999 11.4999 11.6295 11.6295 11.9222 11.9222 12.1795 12.1795 12.3253 12.3253 12.4017 12.4017 14.0259 14.0259 14.5425 14.5425 14.9864 14.9864 15.3659 15.3659 15.9179 15.9179 15.9801 15.9801 16.4340 16.4340 16.6767 16.6767 17.1162 17.1162 18.4705 18.4705 18.7290 18.7290 18.8172 18.8172 19.3035 19.3035 19.4207 19.4207 k = 0.0000 0.3293-0.0000 ( 4837 PWs) bands (ev): -39.7223 -39.7223 -16.3958 -16.3958 -15.7462 -15.7462 -15.7330 -15.7330 9.4481 9.4481 11.5177 11.5177 11.6639 11.6639 11.9532 11.9532 12.2403 12.2403 12.3770 12.3770 12.4622 12.4622 13.9964 13.9964 14.5188 14.5188 14.9255 14.9255 15.2475 15.2475 15.8926 15.8926 15.9387 15.9387 16.3183 16.3183 16.6040 16.6040 17.1189 17.1189 18.4704 18.4704 18.6742 18.6742 18.7592 18.7592 19.2623 19.2623 19.3976 19.3976 k = 0.0000 0.3415-0.0000 ( 4837 PWs) bands (ev): -39.7223 -39.7223 -16.3962 -16.3962 -15.7469 -15.7469 -15.7332 -15.7332 9.5335 9.5335 11.5312 11.5312 11.6993 11.6993 11.9836 11.9836 12.3022 12.3022 12.4286 12.4286 12.5247 12.5247 13.9674 13.9674 14.4886 14.4886 14.8579 14.8579 15.1333 15.1333 15.8764 15.8764 15.8982 15.8982 16.2125 16.2125 16.5300 16.5300 17.1237 17.1237 18.4704 18.4704 18.6215 18.6215 18.7027 18.7027 19.2224 19.2224 19.3757 19.3757 k = 0.0000 0.3537-0.0000 ( 4837 PWs) bands (ev): -39.7222 -39.7222 -16.3965 -16.3965 -15.7476 -15.7476 -15.7333 -15.7333 9.6191 9.6191 11.5407 11.5407 11.7348 11.7348 12.0133 12.0133 12.3646 12.3646 12.4797 12.4797 12.5892 12.5892 13.9391 13.9391 14.4510 14.4510 14.7855 14.7855 15.0242 15.0242 15.8575 15.8575 15.8676 15.8676 16.1183 16.1183 16.4557 16.4557 17.1299 17.1299 18.4705 18.4705 18.5714 18.5714 18.6479 18.6479 19.1841 19.1841 19.3550 19.3550 k = 0.0000 0.3659-0.0000 ( 4837 PWs) bands (ev): -39.7222 -39.7222 -16.3969 -16.3969 -15.7482 -15.7482 -15.7334 -15.7334 9.7045 9.7045 11.5466 11.5466 11.7698 11.7698 12.0421 12.0421 12.4272 12.4272 12.5300 12.5300 12.6557 12.6557 13.9118 13.9118 14.4057 14.4057 14.7103 14.7103 14.9216 14.9216 15.8148 15.8148 15.8647 15.8647 16.0380 16.0380 16.3822 16.3822 17.1369 17.1369 18.4695 18.4695 18.5250 18.5250 18.5954 18.5954 19.1476 19.1476 19.3356 19.3356 k = 0.0000 0.3780-0.0000 ( 4833 PWs) bands (ev): -39.7221 -39.7221 -16.3972 -16.3972 -15.7488 -15.7488 -15.7335 -15.7335 9.7889 9.7889 11.5488 11.5488 11.8034 11.8034 12.0699 12.0699 12.4890 12.4890 12.5793 12.5793 12.7240 12.7240 13.8854 13.8854 14.3521 14.3521 14.6341 14.6341 14.8269 14.8269 15.7680 15.7680 15.8660 15.8660 15.9738 15.9738 16.3103 16.3103 17.1444 17.1444 18.4607 18.4607 18.4896 18.4896 18.5454 18.5454 19.1130 19.1130 19.3177 19.3177 k = 0.0000 0.3902-0.0000 ( 4829 PWs) bands (ev): -39.7221 -39.7221 -16.3975 -16.3975 -15.7494 -15.7494 -15.7336 -15.7336 9.8716 9.8716 11.5475 11.5475 11.8353 11.8353 12.0964 12.0964 12.5488 12.5488 12.6280 12.6280 12.7940 12.7940 13.8599 13.8599 14.2902 14.2902 14.5587 14.5587 14.7411 14.7411 15.7168 15.7168 15.8704 15.8704 15.9260 15.9260 16.2410 16.2410 17.1522 17.1522 18.4288 18.4288 18.4807 18.4807 18.4985 18.4985 19.0808 19.0808 19.3012 19.3012 k = 0.0000 0.4024-0.0000 ( 4837 PWs) bands (ev): -39.7220 -39.7220 -16.3978 -16.3978 -15.7499 -15.7499 -15.7337 -15.7337 9.9517 9.9517 11.5429 11.5429 11.8649 11.8649 12.1213 12.1213 12.6044 12.6044 12.6771 12.6771 12.8657 12.8657 13.8352 13.8352 14.2207 14.2207 14.4857 14.4857 14.6650 14.6650 15.6635 15.6635 15.8768 15.8768 15.8920 15.8920 16.1752 16.1752 17.1600 17.1600 18.3920 18.3920 18.4549 18.4549 18.4803 18.4803 19.0511 19.0511 19.2862 19.2862 k = 0.0000 0.4146-0.0000 ( 4853 PWs) bands (ev): -39.7220 -39.7220 -16.3980 -16.3980 -15.7503 -15.7503 -15.7338 -15.7338 10.0281 10.0281 11.5354 11.5354 11.8918 11.8918 12.1444 12.1444 12.6532 12.6532 12.7281 12.7281 12.9389 12.9389 13.8110 13.8110 14.1449 14.1449 14.4169 14.4169 14.5987 14.5987 15.6116 15.6116 15.8681 15.8681 15.8842 15.8842 16.1138 16.1138 17.1675 17.1675 18.3577 18.3577 18.4152 18.4152 18.4812 18.4812 19.0242 19.0242 19.2728 19.2728 k = 0.0000 0.4268-0.0000 ( 4853 PWs) bands (ev): -39.7220 -39.7220 -16.3982 -16.3982 -15.7507 -15.7507 -15.7339 -15.7339 10.0996 10.0996 11.5254 11.5254 11.9157 11.9157 12.1653 12.1653 12.6936 12.6936 12.7811 12.7811 13.0134 13.0134 13.7871 13.7871 14.0645 14.0645 14.3540 14.3540 14.5421 14.5421 15.5637 15.5637 15.8513 15.8513 15.8919 15.8919 16.0579 16.0579 17.1745 17.1745 18.3271 18.3271 18.3797 18.3797 18.4825 18.4825 19.0002 19.0002 19.2611 19.2611 k = 0.0000 0.4390-0.0000 ( 4849 PWs) bands (ev): -39.7219 -39.7219 -16.3984 -16.3984 -15.7510 -15.7510 -15.7340 -15.7340 10.1647 10.1647 11.5138 11.5138 11.9364 11.9364 12.1838 12.1838 12.7260 12.7260 12.8343 12.8343 13.0889 13.0889 13.7631 13.7631 13.9815 13.9815 14.2986 14.2986 14.4946 14.4946 15.5215 15.5215 15.8394 15.8394 15.8995 15.8995 16.0084 16.0084 17.1809 17.1809 18.3006 18.3006 18.3488 18.3488 18.4839 18.4839 18.9795 18.9795 19.2512 19.2512 k = 0.0000 0.4512-0.0000 ( 4845 PWs) bands (ev): -39.7219 -39.7219 -16.3985 -16.3985 -15.7513 -15.7513 -15.7340 -15.7340 10.2216 10.2216 11.5014 11.5014 11.9537 11.9537 12.1994 12.1994 12.7514 12.7514 12.8847 12.8847 13.1646 13.1646 13.7392 13.7392 13.8980 13.8980 14.2522 14.2522 14.4559 14.4559 15.4861 15.4861 15.8311 15.8311 15.9062 15.9062 15.9662 15.9662 17.1865 17.1865 18.2785 18.2785 18.3228 18.3228 18.4852 18.4852 18.9622 18.9622 19.2429 19.2429 k = 0.0000 0.4634-0.0000 ( 4853 PWs) bands (ev): -39.7219 -39.7219 -16.3987 -16.3987 -15.7515 -15.7515 -15.7341 -15.7341 10.2687 10.2687 11.4897 11.4897 11.9672 11.9672 12.2120 12.2120 12.7706 12.7706 12.9293 12.9293 13.2395 13.2395 13.7166 13.7166 13.8162 13.8162 14.2159 14.2159 14.4258 14.4258 15.4581 15.4581 15.8255 15.8255 15.9118 15.9118 15.9324 15.9324 17.1910 17.1910 18.2611 18.2611 18.3023 18.3023 18.4864 18.4864 18.9485 18.9485 19.2365 19.2365 k = 0.0000 0.4756-0.0000 ( 4837 PWs) bands (ev): -39.7219 -39.7219 -16.3987 -16.3987 -15.7517 -15.7517 -15.7341 -15.7341 10.3040 10.3040 11.4799 11.4799 11.9770 11.9770 12.2212 12.2212 12.7840 12.7840 12.9649 12.9649 13.3105 13.3105 13.6972 13.6972 13.7397 13.7397 14.1900 14.1900 14.4042 14.4042 15.4378 15.4378 15.8219 15.8219 15.9069 15.9069 15.9168 15.9168 17.1944 17.1944 18.2486 18.2486 18.2874 18.2874 18.4873 18.4873 18.9386 18.9386 19.2318 19.2318 k = 0.0000 0.4878-0.0000 ( 4828 PWs) bands (ev): -39.7219 -39.7219 -16.3988 -16.3988 -15.7518 -15.7518 -15.7341 -15.7341 10.3260 10.3260 11.4734 11.4734 11.9829 11.9829 12.2268 12.2268 12.7920 12.7920 12.9880 12.9880 13.3696 13.3696 13.6772 13.6772 13.6839 13.6839 14.1746 14.1746 14.3913 14.3913 15.4255 15.4255 15.8199 15.8199 15.8920 15.8920 15.9191 15.9191 17.1965 17.1965 18.2410 18.2410 18.2783 18.2783 18.4879 18.4879 18.9326 18.9326 19.2291 19.2291 k = 0.0000 0.5000-0.0000 ( 4828 PWs) bands (ev): -39.7219 -39.7219 -16.3988 -16.3988 -15.7518 -15.7518 -15.7341 -15.7341 10.3334 10.3334 11.4711 11.4711 11.9848 11.9848 12.2287 12.2287 12.7946 12.7946 12.9961 12.9961 13.3957 13.3957 13.6500 13.6500 13.6791 13.6791 14.1695 14.1695 14.3869 14.3869 15.4214 15.4214 15.8192 15.8192 15.8869 15.8869 15.9200 15.9200 17.1972 17.1972 18.2385 18.2385 18.2753 18.2753 18.4881 18.4881 18.9306 18.9306 19.2281 19.2281 k = 0.0000 0.5000-0.0000 ( 4828 PWs) bands (ev): -39.7219 -39.7219 -16.3988 -16.3988 -15.7518 -15.7518 -15.7341 -15.7341 10.3334 10.3334 11.4711 11.4711 11.9848 11.9848 12.2287 12.2287 12.7946 12.7946 12.9961 12.9961 13.3957 13.3957 13.6500 13.6500 13.6791 13.6791 14.1695 14.1695 14.3869 14.3869 15.4214 15.4214 15.8192 15.8192 15.8869 15.8869 15.9200 15.9200 17.1972 17.1972 18.2385 18.2385 18.2753 18.2753 18.4881 18.4881 18.9306 18.9306 19.2281 19.2281 k = 0.0122 0.5000-0.0000 ( 4828 PWs) bands (ev): -39.7219 -39.7219 -16.3988 -16.3988 -15.7518 -15.7518 -15.7341 -15.7341 10.3351 10.3351 11.4721 11.4721 11.9861 11.9861 12.2295 12.2295 12.7951 12.7951 12.9958 12.9958 13.3956 13.3956 13.6488 13.6488 13.6792 13.6792 14.1663 14.1663 14.3891 14.3891 15.4175 15.4175 15.8214 15.8214 15.8877 15.8877 15.9225 15.9225 17.1938 17.1938 18.2368 18.2368 18.2735 18.2735 18.4922 18.4922 18.9314 18.9314 19.2279 19.2279 k = 0.0244 0.5000-0.0000 ( 4844 PWs) bands (ev): -39.7219 -39.7219 -16.3988 -16.3988 -15.7518 -15.7518 -15.7342 -15.7342 10.3399 10.3399 11.4751 11.4751 11.9897 11.9897 12.2319 12.2319 12.7965 12.7965 12.9949 12.9949 13.3952 13.3952 13.6452 13.6452 13.6797 13.6797 14.1575 14.1575 14.3952 14.3952 15.4064 15.4064 15.8272 15.8272 15.8900 15.8900 15.9306 15.9306 17.1838 17.1838 18.2252 18.2252 18.2760 18.2760 18.5033 18.5033 18.9337 18.9337 19.2273 19.2273 k = 0.0366 0.5000-0.0000 ( 4840 PWs) bands (ev): -39.7219 -39.7219 -16.3989 -16.3989 -15.7518 -15.7518 -15.7343 -15.7343 10.3481 10.3481 11.4801 11.4801 11.9958 11.9958 12.2358 12.2358 12.7989 12.7989 12.9934 12.9934 13.3947 13.3947 13.6391 13.6391 13.6807 13.6807 14.1440 14.1440 14.4041 14.4041 15.3893 15.3893 15.8345 15.8345 15.8939 15.8939 15.9446 15.9446 17.1676 17.1676 18.1996 18.1996 18.2893 18.2893 18.5185 18.5185 18.9375 18.9375 19.2263 19.2263 k = 0.0488 0.5000-0.0000 ( 4840 PWs) bands (ev): -39.7219 -39.7219 -16.3989 -16.3989 -15.7518 -15.7518 -15.7344 -15.7344 10.3595 10.3595 11.4871 11.4871 12.0043 12.0043 12.2414 12.2414 12.8020 12.8020 12.9914 12.9914 13.3941 13.3941 13.6301 13.6301 13.6823 13.6823 14.1273 14.1273 14.4147 14.4147 15.3678 15.3678 15.8415 15.8415 15.8994 15.8994 15.9649 15.9649 17.1458 17.1458 18.1644 18.1644 18.3109 18.3109 18.5356 18.5356 18.9427 18.9427 19.2251 19.2251 k = 0.0610 0.5000-0.0000 ( 4840 PWs) bands (ev): -39.7218 -39.7218 -16.3989 -16.3989 -15.7518 -15.7518 -15.7345 -15.7345 10.3741 10.3741 11.4959 11.4959 12.0152 12.0152 12.2485 12.2485 12.8059 12.8059 12.9889 12.9889 13.3935 13.3935 13.6184 13.6184 13.6845 13.6845 14.1087 14.1087 14.4259 14.4259 15.3431 15.3431 15.8471 15.8471 15.9062 15.9062 15.9907 15.9907 17.1190 17.1190 18.1228 18.1228 18.3387 18.3387 18.5529 18.5529 18.9490 18.9490 19.2237 19.2237 k = 0.0732 0.5000-0.0000 ( 4840 PWs) bands (ev): -39.7218 -39.7218 -16.3990 -16.3990 -15.7518 -15.7518 -15.7347 -15.7347 10.3919 10.3919 11.5066 11.5066 12.0285 12.0285 12.2572 12.2572 12.8104 12.8104 12.9860 12.9860 13.3929 13.3929 13.6040 13.6040 13.6873 13.6873 14.0891 14.0891 14.4370 14.4370 15.3165 15.3165 15.8515 15.8515 15.9140 15.9140 16.0207 16.0207 17.0880 17.0880 18.0763 18.0763 18.3714 18.3714 18.5697 18.5697 18.9561 18.9561 19.2226 19.2226 k = 0.0854 0.5000-0.0000 ( 4838 PWs) bands (ev): -39.7218 -39.7218 -16.3990 -16.3990 -15.7518 -15.7518 -15.7349 -15.7349 10.4128 10.4128 11.5191 11.5191 12.0441 12.0441 12.2675 12.2675 12.8152 12.8152 12.9830 12.9830 13.3926 13.3926 13.5869 13.5869 13.6906 13.6906 14.0692 14.0692 14.4476 14.4476 15.2887 15.2887 15.8551 15.8551 15.9225 15.9225 16.0535 16.0535 17.0535 17.0535 18.0258 18.0258 18.4083 18.4083 18.5855 18.5855 18.9639 18.9639 19.2219 19.2219 k = 0.0976 0.5000-0.0000 ( 4846 PWs) bands (ev): -39.7218 -39.7218 -16.3991 -16.3991 -15.7517 -15.7517 -15.7352 -15.7352 10.4369 10.4369 11.5332 11.5332 12.0620 12.0620 12.2792 12.2792 12.8201 12.8201 12.9798 12.9798 13.3925 13.3925 13.5674 13.5674 13.6944 13.6944 14.0494 14.0494 14.4576 14.4576 15.2603 15.2603 15.8581 15.8581 15.9314 15.9314 16.0877 16.0877 17.0163 17.0163 17.9719 17.9719 18.4486 18.4486 18.6000 18.6000 18.9717 18.9717 19.2220 19.2220 k = 0.1098 0.5000-0.0000 ( 4842 PWs) bands (ev): -39.7218 -39.7218 -16.3992 -16.3992 -15.7517 -15.7517 -15.7354 -15.7354 10.4641 10.4641 11.5488 11.5488 12.0822 12.0822 12.2924 12.2924 12.8250 12.8250 12.9769 12.9769 13.3927 13.3927 13.5459 13.5459 13.6985 13.6985 14.0302 14.0302 14.4667 14.4667 15.2317 15.2317 15.8610 15.8610 15.9402 15.9402 16.1221 16.1221 16.9770 16.9770 17.9151 17.9151 18.4917 18.4917 18.6133 18.6133 18.9793 18.9793 19.2233 19.2233 k = 0.1220 0.5000-0.0000 ( 4844 PWs) bands (ev): -39.7218 -39.7218 -16.3993 -16.3993 -15.7517 -15.7517 -15.7357 -15.7357 10.4943 10.4943 11.5659 11.5659 12.1046 12.1046 12.3071 12.3071 12.8293 12.8293 12.9744 12.9744 13.3928 13.3928 13.5230 13.5230 13.7029 13.7029 14.0118 14.0118 14.4751 14.4751 15.2032 15.2032 15.8639 15.8639 15.9487 15.9487 16.1556 16.1556 16.9363 16.9363 17.8558 17.8558 18.5369 18.5369 18.6255 18.6255 18.9860 18.9860 19.2263 19.2263 k = 0.1341 0.5000-0.0000 ( 4848 PWs) bands (ev): -39.7217 -39.7217 -16.3993 -16.3993 -15.7517 -15.7517 -15.7360 -15.7360 10.5274 10.5274 11.5843 11.5843 12.1291 12.1291 12.3231 12.3231 12.8328 12.8328 12.9728 12.9728 13.3921 13.3921 13.5000 13.5000 13.7075 13.7075 13.9941 13.9941 14.4828 14.4828 15.1749 15.1749 15.8669 15.8669 15.9563 15.9563 16.1872 16.1872 16.8950 16.8950 17.7942 17.7942 18.5835 18.5835 18.6370 18.6370 18.9914 18.9914 19.2315 19.2315 k = 0.1463 0.5000-0.0000 ( 4842 PWs) bands (ev): -39.7217 -39.7217 -16.3994 -16.3994 -15.7517 -15.7517 -15.7363 -15.7363 10.5635 10.5635 11.6037 11.6037 12.1557 12.1557 12.3406 12.3406 12.8353 12.8353 12.9721 12.9721 13.3889 13.3889 13.4790 13.4790 13.7123 13.7123 13.9774 13.9774 14.4900 14.4900 15.1470 15.1470 15.8702 15.8702 15.9627 15.9627 16.2158 16.2158 16.8538 16.8538 17.7308 17.7308 18.6272 18.6272 18.6518 18.6518 18.9951 18.9951 19.2391 19.2391 k = 0.1585 0.5000-0.0000 ( 4842 PWs) bands (ev): -39.7217 -39.7217 -16.3995 -16.3995 -15.7517 -15.7517 -15.7367 -15.7367 10.6023 10.6023 11.6242 11.6242 12.1844 12.1844 12.3593 12.3593 12.8365 12.8365 12.9727 12.9727 13.3799 13.3799 13.4637 13.4637 13.7170 13.7170 13.9615 13.9615 14.4970 14.4970 15.1195 15.1195 15.8737 15.8737 15.9676 15.9676 16.2400 16.2400 16.8138 16.8138 17.6658 17.6658 18.6479 18.6479 18.6896 18.6896 18.9969 18.9969 19.2494 19.2494 k = 0.1707 0.5000-0.0000 ( 4838 PWs) bands (ev): -39.7217 -39.7217 -16.3996 -16.3996 -15.7517 -15.7517 -15.7370 -15.7370 10.6439 10.6439 11.6453 11.6453 12.2149 12.2149 12.3793 12.3793 12.8364 12.8364 12.9746 12.9746 13.3625 13.3625 13.4572 13.4572 13.7217 13.7217 13.9464 13.9464 14.5039 14.5039 15.0926 15.0926 15.8775 15.8775 15.9705 15.9705 16.2585 16.2585 16.7761 16.7761 17.5995 17.5995 18.6567 18.6567 18.7394 18.7394 18.9968 18.9968 19.2623 19.2623 k = 0.1829 0.5000-0.0000 ( 4832 PWs) bands (ev): -39.7217 -39.7217 -16.3997 -16.3997 -15.7516 -15.7516 -15.7374 -15.7374 10.6882 10.6882 11.6671 11.6671 12.2473 12.2473 12.4005 12.4005 12.8353 12.8353 12.9777 12.9777 13.3380 13.3380 13.4585 13.4585 13.7262 13.7262 13.9323 13.9323 14.5109 14.5109 15.0662 15.0662 15.8815 15.8815 15.9712 15.9712 16.2696 16.2696 16.7419 16.7419 17.5324 17.5324 18.6631 18.6631 18.7909 18.7909 18.9952 18.9952 19.2777 19.2777 k = 0.1951 0.5000-0.0000 ( 4828 PWs) bands (ev): -39.7216 -39.7216 -16.3999 -16.3999 -15.7516 -15.7516 -15.7377 -15.7377 10.7349 10.7349 11.6891 11.6891 12.2814 12.2814 12.4228 12.4228 12.8334 12.8334 12.9817 12.9817 13.3096 13.3096 13.4647 13.4647 13.7303 13.7303 13.9193 13.9193 14.5182 14.5182 15.0404 15.0404 15.8854 15.8854 15.9695 15.9695 16.2718 16.2718 16.7125 16.7125 17.4648 17.4648 18.6684 18.6684 18.8428 18.8428 18.9928 18.9928 19.2950 19.2950 k = 0.2073 0.5000-0.0000 ( 4828 PWs) bands (ev): -39.7216 -39.7216 -16.4000 -16.4000 -15.7516 -15.7516 -15.7381 -15.7381 10.7841 10.7841 11.7113 11.7113 12.3170 12.3170 12.4460 12.4460 12.8311 12.8311 12.9864 12.9864 13.2792 13.2792 13.4740 13.4740 13.7339 13.7339 13.9075 13.9075 14.5261 14.5261 15.0153 15.0153 15.8888 15.8888 15.9654 15.9654 16.2641 16.2641 16.6887 16.6887 17.3969 17.3969 18.6727 18.6727 18.8931 18.8931 18.9913 18.9913 19.3137 19.3137 k = 0.2195 0.5000-0.0000 ( 4832 PWs) bands (ev): -39.7216 -39.7216 -16.4001 -16.4001 -15.7517 -15.7517 -15.7385 -15.7385 10.8355 10.8355 11.7332 11.7332 12.3541 12.3541 12.4702 12.4702 12.8290 12.8290 12.9914 12.9914 13.2482 13.2482 13.4853 13.4853 13.7365 13.7365 13.8972 13.8972 14.5347 14.5347 14.9909 14.9909 15.8909 15.8909 15.9595 15.9595 16.2464 16.2464 16.6704 16.6704 17.3292 17.3292 18.6762 18.6762 18.9349 18.9349 18.9976 18.9976 19.3330 19.3330 k = 0.2317 0.5000-0.0000 ( 4826 PWs) bands (ev): -39.7215 -39.7215 -16.4002 -16.4002 -15.7517 -15.7517 -15.7389 -15.7389 10.8890 10.8890 11.7548 11.7548 12.3925 12.3925 12.4951 12.4951 12.8276 12.8276 12.9964 12.9964 13.2173 13.2173 13.4979 13.4979 13.7381 13.7381 13.8888 13.8888 14.5441 14.5441 14.9673 14.9673 15.8901 15.8901 15.9528 15.9528 16.2199 16.2199 16.6565 16.6565 17.2621 17.2621 18.6790 18.6790 18.9518 18.9518 19.0282 19.0282 19.3519 19.3519 k = 0.2439 0.5000-0.0000 ( 4838 PWs) bands (ev): -39.7215 -39.7215 -16.4003 -16.4003 -15.7517 -15.7517 -15.7392 -15.7392 10.9444 10.9444 11.7758 11.7758 12.4319 12.4319 12.5205 12.5205 12.8272 12.8272 13.0011 13.0011 13.1870 13.1870 13.5114 13.5114 13.7381 13.7381 13.8828 13.8828 14.5544 14.5544 14.9446 14.9446 15.8839 15.8839 15.9470 15.9470 16.1865 16.1865 16.6450 16.6450 17.1960 17.1960 18.6812 18.6812 18.9510 18.9510 19.0756 19.0756 19.3683 19.3683 k = 0.2561 0.5000-0.0000 ( 4830 PWs) bands (ev): -39.7215 -39.7215 -16.4005 -16.4005 -15.7517 -15.7517 -15.7396 -15.7396 11.0015 11.0015 11.7959 11.7959 12.4721 12.4721 12.5464 12.5464 12.8282 12.8282 13.0050 13.0050 13.1580 13.1580 13.5251 13.5251 13.7363 13.7363 13.8796 13.8796 14.5656 14.5656 14.9231 14.9231 15.8707 15.8707 15.9430 15.9430 16.1491 16.1491 16.6340 16.6340 17.1312 17.1312 18.6829 18.6829 18.9455 18.9455 19.1264 19.1264 19.3790 19.3790 k = 0.2683 0.5000-0.0000 ( 4826 PWs) bands (ev): -39.7215 -39.7215 -16.4006 -16.4006 -15.7518 -15.7518 -15.7399 -15.7399 11.0602 11.0602 11.8149 11.8149 12.5129 12.5129 12.5726 12.5726 12.8312 12.8312 13.0075 13.0075 13.1313 13.1313 13.5387 13.5387 13.7326 13.7326 13.8794 13.8794 14.5777 14.5777 14.9029 14.9029 15.8505 15.8505 15.9385 15.9385 16.1112 16.1112 16.6217 16.6217 17.0681 17.0681 18.6840 18.6840 18.9386 18.9386 19.1754 19.1754 19.3797 19.3797 k = 0.2805 0.5000-0.0000 ( 4826 PWs) bands (ev): -39.7214 -39.7214 -16.4007 -16.4007 -15.7518 -15.7518 -15.7403 -15.7403 11.1201 11.1201 11.8327 11.8327 12.5539 12.5539 12.5987 12.5987 12.8364 12.8364 13.0076 13.0076 13.1079 13.1079 13.5516 13.5516 13.7272 13.7272 13.8823 13.8823 14.5904 14.5904 14.8845 14.8845 15.8245 15.8245 15.9288 15.9288 16.0781 16.0781 16.6068 16.6068 17.0072 17.0072 18.6848 18.6848 18.9311 18.9311 19.2165 19.2165 19.3713 19.3713 k = 0.2927 0.5000-0.0000 ( 4822 PWs) bands (ev): -39.7214 -39.7214 -16.4008 -16.4008 -15.7519 -15.7519 -15.7406 -15.7406 11.1811 11.1811 11.8491 11.8491 12.5947 12.5947 12.6247 12.6247 12.8440 12.8440 13.0037 13.0037 13.0898 13.0898 13.5636 13.5636 13.7202 13.7202 13.8880 13.8880 14.6034 14.6034 14.8685 14.8685 15.7936 15.7936 15.9081 15.9081 16.0556 16.0556 16.5882 16.5882 16.9486 16.9486 18.6852 18.6852 18.9234 18.9234 19.2337 19.2337 19.3715 19.3715 k = 0.3049 0.5000-0.0000 ( 4822 PWs) bands (ev): -39.7214 -39.7214 -16.4009 -16.4009 -15.7520 -15.7520 -15.7409 -15.7409 11.2426 11.2426 11.8639 11.8639 12.6343 12.6343 12.6506 12.6506 12.8542 12.8542 12.9945 12.9945 13.0788 13.0788 13.5742 13.5742 13.7121 13.7121 13.8961 13.8961 14.6157 14.6157 14.8558 14.8558 15.7585 15.7585 15.8745 15.8745 16.0461 16.0461 16.5657 16.5657 16.8925 16.8925 18.6852 18.6852 18.9157 18.9157 19.2148 19.2148 19.3989 19.3989 k = 0.3171 0.5000-0.0000 ( 4822 PWs) bands (ev): -39.7213 -39.7213 -16.4011 -16.4011 -15.7521 -15.7521 -15.7411 -15.7411 11.3046 11.3046 11.8772 11.8772 12.6694 12.6694 12.6793 12.6793 12.8666 12.8666 12.9811 12.9811 13.0745 13.0745 13.5833 13.5833 13.7032 13.7032 13.9062 13.9062 14.6264 14.6264 14.8476 14.8476 15.7199 15.7199 15.8321 15.8321 16.0457 16.0457 16.5391 16.5391 16.8390 16.8390 18.6849 18.6849 18.9081 18.9081 19.1750 19.1750 19.4430 19.4430 k = 0.3293 0.5000-0.0000 ( 4816 PWs) bands (ev): -39.7213 -39.7213 -16.4012 -16.4012 -15.7521 -15.7521 -15.7414 -15.7414 11.3664 11.3664 11.8890 11.8890 12.6957 12.6957 12.7142 12.7142 12.8801 12.8801 12.9668 12.9668 13.0750 13.0750 13.5909 13.5909 13.6938 13.6938 13.9178 13.9178 14.6337 14.6337 14.8456 14.8456 15.6782 15.6782 15.7853 15.7853 16.0504 16.0504 16.5091 16.5091 16.7877 16.7877 18.6844 18.6844 18.9007 18.9007 19.1279 19.1279 19.4924 19.4924 k = 0.3415 0.5000-0.0000 ( 4816 PWs) bands (ev): -39.7213 -39.7213 -16.4013 -16.4013 -15.7522 -15.7522 -15.7416 -15.7416 11.4277 11.4277 11.8993 11.8993 12.7189 12.7189 12.7487 12.7487 12.8915 12.8915 12.9566 12.9566 13.0790 13.0790 13.5971 13.5971 13.6838 13.6838 13.9302 13.9302 14.6365 14.6365 14.8512 14.8512 15.6343 15.6343 15.7370 15.7370 16.0574 16.0574 16.4764 16.4764 16.7383 16.7383 18.6835 18.6835 18.8935 18.8935 19.0788 19.0788 19.5432 19.5432 k = 0.3537 0.5000-0.0000 ( 4816 PWs) bands (ev): -39.7213 -39.7213 -16.4014 -16.4014 -15.7524 -15.7524 -15.7418 -15.7418 11.4880 11.4880 11.9082 11.9082 12.7409 12.7409 12.7802 12.7802 12.8947 12.8947 12.9569 12.9569 13.0862 13.0862 13.6020 13.6020 13.6736 13.6736 13.9431 13.9431 14.6340 14.6340 14.8648 14.8648 15.5888 15.5888 15.6887 15.6887 16.0653 16.0653 16.4422 16.4422 16.6903 16.6903 18.6823 18.6823 18.8865 18.8865 19.0302 19.0302 19.5937 19.5937 k = 0.3659 0.5000-0.0000 ( 4812 PWs) bands (ev): -39.7212 -39.7212 -16.4015 -16.4015 -15.7525 -15.7525 -15.7420 -15.7420 11.5466 11.5466 11.9159 11.9159 12.7620 12.7620 12.8073 12.8073 12.8897 12.8897 12.9679 12.9679 13.0970 13.0970 13.6059 13.6059 13.6630 13.6630 13.9560 13.9560 14.6269 14.6269 14.8859 14.8859 15.5429 15.5429 15.6413 15.6413 16.0730 16.0730 16.4078 16.4078 16.6433 16.6433 18.6807 18.6807 18.8798 18.8798 18.9833 18.9833 19.6430 19.6430 k = 0.3780 0.5000-0.0000 ( 4810 PWs) bands (ev): -39.7212 -39.7212 -16.4016 -16.4016 -15.7526 -15.7526 -15.7422 -15.7422 11.6030 11.6030 11.9226 11.9226 12.7824 12.7824 12.8266 12.8266 12.8850 12.8850 12.9822 12.9822 13.1125 13.1125 13.6086 13.6086 13.6523 13.6523 13.9684 13.9684 14.6162 14.6162 14.9130 14.9130 15.4974 15.4974 15.5952 15.5952 16.0794 16.0794 16.3746 16.3746 16.5972 16.5972 18.6787 18.6787 18.8734 18.8734 18.9388 18.9388 19.6902 19.6902 k = 0.3902 0.5000-0.0000 ( 4810 PWs) bands (ev): -39.7212 -39.7212 -16.4017 -16.4017 -15.7527 -15.7527 -15.7424 -15.7424 11.6564 11.6564 11.9287 11.9287 12.8020 12.8020 12.8332 12.8332 12.8897 12.8897 12.9946 12.9946 13.1334 13.1334 13.6092 13.6092 13.6426 13.6426 13.9801 13.9801 14.6033 14.6033 14.9447 14.9447 15.4534 15.4534 15.5509 15.5509 16.0838 16.0838 16.3440 16.3440 16.5520 16.5520 18.6763 18.6763 18.8674 18.8674 18.8976 18.8976 19.7347 19.7347 k = 0.4024 0.5000-0.0000 ( 4810 PWs) bands (ev): -39.7212 -39.7212 -16.4017 -16.4017 -15.7528 -15.7528 -15.7425 -15.7425 11.7059 11.7059 11.9345 11.9345 12.8200 12.8200 12.8299 12.8299 12.9027 12.9027 13.0036 13.0036 13.1594 13.1594 13.6053 13.6053 13.6364 13.6364 13.9907 13.9907 14.5889 14.5889 14.9798 14.9798 15.4119 15.4119 15.5087 15.5087 16.0851 16.0851 16.3173 16.3173 16.5079 16.5079 18.6733 18.6733 18.8597 18.8597 18.8622 18.8622 19.7759 19.7759 k = 0.4146 0.5000-0.0000 ( 4806 PWs) bands (ev): -39.7212 -39.7212 -16.4018 -16.4018 -15.7529 -15.7529 -15.7426 -15.7426 11.7505 11.7505 11.9404 11.9404 12.8195 12.8195 12.8409 12.8409 12.9176 12.9176 13.0089 13.0089 13.1892 13.1892 13.5947 13.5947 13.6356 13.6356 14.0002 14.0002 14.5741 14.5741 15.0168 15.0168 15.3736 15.3736 15.4691 15.4691 16.0825 16.0825 16.2957 16.2957 16.4657 16.4657 18.6694 18.6694 18.8271 18.8271 18.8566 18.8566 19.8131 19.8131 k = 0.4268 0.5000-0.0000 ( 4806 PWs) bands (ev): -39.7212 -39.7212 -16.4019 -16.4019 -15.7530 -15.7530 -15.7427 -15.7427 11.7893 11.7893 11.9470 11.9470 12.8114 12.8114 12.8584 12.8584 12.9312 12.9312 13.0115 13.0115 13.2213 13.2213 13.5795 13.5795 13.6382 13.6382 14.0085 14.0085 14.5594 14.5594 15.0547 15.0547 15.3392 15.3392 15.4324 15.4324 16.0758 16.0758 16.2797 16.2797 16.4262 16.4262 18.6647 18.6647 18.7991 18.7991 18.8520 18.8520 19.8459 19.8459 k = 0.4390 0.5000-0.0000 ( 4804 PWs) bands (ev): -39.7211 -39.7211 -16.4019 -16.4019 -15.7531 -15.7531 -15.7428 -15.7428 11.8210 11.8210 11.9548 11.9548 12.8039 12.8039 12.8753 12.8753 12.9423 12.9423 13.0120 13.0120 13.2543 13.2543 13.5613 13.5613 13.6422 13.6422 14.0154 14.0154 14.5455 14.5455 15.0922 15.0922 15.3095 15.3095 15.3989 15.3989 16.0655 16.0655 16.2690 16.2690 16.3903 16.3903 18.6591 18.6591 18.7764 18.7764 18.8479 18.8479 19.8741 19.8741 k = 0.4512 0.5000-0.0000 ( 4808 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7531 -15.7531 -15.7428 -15.7428 11.8451 11.8451 11.9639 11.9639 12.7976 12.7976 12.8911 12.8911 12.9506 12.9506 13.0112 13.0112 13.2874 13.2874 13.5409 13.5409 13.6465 13.6465 14.0211 14.0211 14.5331 14.5331 15.1281 15.1281 15.2847 15.2847 15.3687 15.3687 16.0532 16.0532 16.2625 16.2625 16.3592 16.3592 18.6527 18.6527 18.7591 18.7591 18.8445 18.8445 19.8975 19.8975 k = 0.4634 0.5000-0.0000 ( 4808 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7532 -15.7532 -15.7429 -15.7429 11.8617 11.8617 11.9737 11.9737 12.7927 12.7927 12.9056 12.9056 12.9556 12.9556 13.0098 13.0098 13.3195 13.3195 13.5191 13.5191 13.6507 13.6507 14.0254 14.0254 14.5227 14.5227 15.1611 15.1611 15.2653 15.2653 15.3421 15.3421 16.0407 16.0407 16.2587 16.2587 16.3341 16.3341 18.6463 18.6463 18.7469 18.7469 18.8418 18.8418 19.9159 19.9159 k = 0.4756 0.5000-0.0000 ( 4808 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7532 -15.7532 -15.7429 -15.7429 11.8721 11.8721 11.9825 11.9825 12.7891 12.7891 12.9181 12.9181 12.9573 12.9573 13.0084 13.0084 13.3492 13.3492 13.4969 13.4969 13.6540 13.6540 14.0285 14.0285 14.5148 14.5148 15.1895 15.1895 15.2517 15.2517 15.3191 15.3191 16.0301 16.0301 16.2565 16.2565 16.3159 16.3159 18.6408 18.6408 18.7389 18.7389 18.8399 18.8399 19.9293 19.9293 k = 0.4878 0.5000-0.0000 ( 4812 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7533 -15.7533 -15.7429 -15.7429 11.8776 11.8776 11.9886 11.9886 12.7870 12.7870 12.9276 12.9276 12.9564 12.9564 13.0075 13.0075 13.3734 13.3734 13.4773 13.4773 13.6562 13.6562 14.0303 14.0303 14.5099 14.5099 15.2103 15.2103 15.2444 15.2444 15.3010 15.3010 16.0229 16.0229 16.2552 16.2552 16.3050 16.3050 18.6370 18.6370 18.7345 18.7345 18.8387 18.8387 19.9373 19.9373 k = 0.5000 0.5000-0.0000 ( 4812 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7533 -15.7533 -15.7429 -15.7429 11.8793 11.8793 11.9908 11.9908 12.7863 12.7863 12.9315 12.9315 12.9553 12.9553 13.0072 13.0072 13.3840 13.3840 13.4682 13.4682 13.6569 13.6569 14.0309 14.0309 14.5083 14.5083 15.2181 15.2181 15.2431 15.2431 15.2932 15.2932 16.0204 16.0204 16.2547 16.2547 16.3014 16.3014 18.6357 18.6357 18.7331 18.7331 18.8383 18.8383 19.9400 19.9400 k = 0.5000 0.5000-0.0000 ( 4812 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7533 -15.7533 -15.7429 -15.7429 11.8793 11.8793 11.9908 11.9908 12.7863 12.7863 12.9315 12.9315 12.9553 12.9553 13.0072 13.0072 13.3840 13.3840 13.4682 13.4682 13.6569 13.6569 14.0309 14.0309 14.5083 14.5083 15.2181 15.2181 15.2431 15.2431 15.2932 15.2932 16.0204 16.0204 16.2547 16.2547 16.3014 16.3014 18.6357 18.6357 18.7331 18.7331 18.8383 18.8383 19.9400 19.9400 k = 0.4914 0.4914-0.0000 ( 4812 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7533 -15.7533 -15.7429 -15.7429 11.8775 11.8775 11.9887 11.9887 12.7870 12.7870 12.9277 12.9277 12.9563 12.9563 13.0075 13.0075 13.3735 13.3735 13.4772 13.4772 13.6562 13.6562 14.0303 14.0303 14.5099 14.5099 15.2107 15.2107 15.2439 15.2439 15.3011 15.3011 16.0229 16.0229 16.2551 16.2551 16.3050 16.3050 18.6370 18.6370 18.7345 18.7345 18.8387 18.8387 19.9372 19.9372 k = 0.4828 0.4828-0.0000 ( 4806 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7532 -15.7532 -15.7429 -15.7429 11.8703 11.8703 11.9844 11.9844 12.7887 12.7887 12.9184 12.9184 12.9564 12.9564 13.0092 13.0092 13.3499 13.3499 13.4957 13.4957 13.6542 13.6542 14.0286 14.0286 14.5151 14.5151 15.1926 15.1926 15.2476 15.2476 15.3197 15.3197 16.0307 16.0307 16.2550 16.2550 16.3170 16.3170 18.6410 18.6410 18.7387 18.7387 18.8399 18.8399 19.9269 19.9269 k = 0.4741 0.4741-0.0000 ( 4806 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7532 -15.7532 -15.7429 -15.7429 11.8536 11.8536 11.9827 11.9827 12.7905 12.7905 12.9064 12.9064 12.9524 12.9524 13.0131 13.0131 13.3219 13.3219 13.5142 13.5142 13.6519 13.6519 14.0260 14.0260 14.5243 14.5243 15.1690 15.1690 15.2543 15.2543 15.3435 15.3435 16.0436 16.0436 16.2529 16.2529 16.3382 16.3382 18.6474 18.6474 18.7458 18.7458 18.8419 18.8419 19.9054 19.9054 k = 0.4655 0.4655-0.0000 ( 4814 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7531 -15.7531 -15.7428 -15.7428 11.8241 11.8241 11.9875 11.9875 12.7909 12.7909 12.8929 12.8929 12.9437 12.9437 13.0193 13.0193 13.2928 13.2928 13.5283 13.5283 13.6497 13.6497 14.0234 14.0234 14.5377 14.5377 15.1424 15.1424 15.2640 15.2640 15.3707 15.3707 16.0615 16.0615 16.2491 16.2491 16.3678 16.3678 18.6560 18.6560 18.7559 18.7559 18.8448 18.8448 19.8713 19.8713 k = 0.4569 0.4569-0.0000 ( 4810 PWs) bands (ev): -39.7211 -39.7211 -16.4019 -16.4019 -15.7531 -15.7531 -15.7428 -15.7428 11.7819 11.7819 11.9996 11.9996 12.7879 12.7879 12.8785 12.8785 12.9312 12.9312 13.0274 13.0274 13.2636 13.2636 13.5361 13.5361 13.6478 13.6478 14.0220 14.0220 14.5558 14.5558 15.1137 15.1137 15.2762 15.2762 15.4010 15.4010 16.0830 16.0830 16.2452 16.2452 16.4042 16.4042 18.6665 18.6665 18.7691 18.7691 18.8487 18.8487 19.8268 19.8268 k = 0.4483 0.4483-0.0000 ( 4814 PWs) bands (ev): -39.7212 -39.7212 -16.4019 -16.4019 -15.7530 -15.7530 -15.7427 -15.7427 11.7292 11.7292 12.0177 12.0177 12.7797 12.7797 12.8634 12.8634 12.9167 12.9167 13.0367 13.0367 13.2349 13.2349 13.5380 13.5380 13.6441 13.6441 14.0238 14.0238 14.5786 14.5786 15.0836 15.0836 15.2908 15.2908 15.4343 15.4343 16.1052 16.1052 16.2444 16.2444 16.4458 16.4458 18.6785 18.6785 18.7855 18.7855 18.8536 18.8536 19.7745 19.7745 k = 0.4397 0.4397-0.0000 ( 4814 PWs) bands (ev): -39.7212 -39.7212 -16.4018 -16.4018 -15.7528 -15.7528 -15.7426 -15.7426 11.6678 11.6678 12.0406 12.0406 12.7651 12.7651 12.8466 12.8466 12.9018 12.9018 13.0467 13.0467 13.2070 13.2070 13.5357 13.5357 13.6363 13.6363 14.0305 14.0305 14.6057 14.6057 15.0530 15.0530 15.3078 15.3078 15.4706 15.4706 16.1226 16.1226 16.2522 16.2522 16.4915 16.4915 18.6916 18.6916 18.8050 18.8050 18.8597 18.8597 19.7169 19.7169 k = 0.4310 0.4310-0.0000 ( 4820 PWs) bands (ev): -39.7212 -39.7212 -16.4017 -16.4017 -15.7527 -15.7527 -15.7425 -15.7425 11.5994 11.5994 12.0671 12.0671 12.7442 12.7442 12.8268 12.8268 12.8875 12.8875 13.0571 13.0571 13.1799 13.1799 13.5309 13.5309 13.6226 13.6226 14.0433 14.0433 14.6367 14.6367 15.0230 15.0230 15.3269 15.3269 15.5096 15.5096 16.1292 16.1292 16.2742 16.2742 16.5402 16.5402 18.7058 18.7058 18.8271 18.8271 18.8676 18.8676 19.6557 19.6557 k = 0.4224 0.4224-0.0000 ( 4824 PWs) bands (ev): -39.7212 -39.7212 -16.4016 -16.4016 -15.7526 -15.7526 -15.7424 -15.7424 11.5251 11.5251 12.0962 12.0962 12.7182 12.7182 12.8034 12.8034 12.8734 12.8734 13.0675 13.0675 13.1537 13.1537 13.5244 13.5244 13.6037 13.6037 14.0622 14.0622 14.6707 14.6707 14.9946 14.9946 15.3481 15.3481 15.5513 15.5513 16.1251 16.1251 16.3102 16.3102 16.5911 16.5911 18.7206 18.7206 18.8502 18.8502 18.8788 18.8788 19.5925 19.5925 k = 0.4138 0.4138-0.0000 ( 4828 PWs) bands (ev): -39.7212 -39.7212 -16.4015 -16.4015 -15.7524 -15.7524 -15.7423 -15.7423 11.4458 11.4458 12.1270 12.1270 12.6878 12.6878 12.7771 12.7771 12.8578 12.8578 13.0776 13.0776 13.1289 13.1289 13.5147 13.5147 13.5832 13.5832 14.0864 14.0864 14.7065 14.7065 14.9694 14.9694 15.3712 15.3712 15.5953 15.5953 16.1142 16.1142 16.3559 16.3559 16.6435 16.6435 18.7360 18.7360 18.8700 18.8700 18.8975 18.8975 19.5283 19.5283 k = 0.4052 0.4052-0.0000 ( 4817 PWs) bands (ev): -39.7213 -39.7213 -16.4014 -16.4014 -15.7522 -15.7522 -15.7421 -15.7421 11.3623 11.3623 12.1582 12.1582 12.6539 12.6539 12.7488 12.7488 12.8393 12.8393 13.0864 13.0864 13.1063 13.1063 13.4973 13.4973 13.5679 13.5679 14.1149 14.1149 14.7421 14.7421 14.9499 14.9499 15.3961 15.3961 15.6412 15.6412 16.1000 16.1000 16.4077 16.4077 16.6970 16.6970 18.7517 18.7517 18.8847 18.8847 18.9254 18.9254 19.4644 19.4644 k = 0.3966 0.3966-0.0000 ( 4817 PWs) bands (ev): -39.7213 -39.7213 -16.4013 -16.4013 -15.7520 -15.7520 -15.7420 -15.7420 11.2753 11.2753 12.1884 12.1884 12.6171 12.6171 12.7191 12.7191 12.8170 12.8170 13.0827 13.0827 13.0971 13.0971 13.4706 13.4706 13.5619 13.5619 14.1465 14.1465 14.7741 14.7741 14.9399 14.9399 15.4227 15.4227 15.6885 15.6885 16.0846 16.0846 16.4636 16.4636 16.7508 16.7508 18.7677 18.7677 18.8981 18.8981 18.9584 18.9584 19.4015 19.4015 k = 0.3879 0.3879-0.0000 ( 4827 PWs) bands (ev): -39.7213 -39.7213 -16.4011 -16.4011 -15.7518 -15.7518 -15.7418 -15.7418 11.1854 11.1854 12.2158 12.2158 12.5780 12.5780 12.6885 12.6885 12.7905 12.7905 13.0653 13.0653 13.1022 13.1022 13.4391 13.4391 13.5630 13.5630 14.1802 14.1802 14.7976 14.7976 14.9449 14.9449 15.4509 15.4509 15.7364 15.7364 16.0697 16.0697 16.5224 16.5224 16.8048 16.8048 18.7837 18.7837 18.9122 18.9122 18.9942 18.9942 19.3406 19.3406 k = 0.3793 0.3793-0.0000 ( 4823 PWs) bands (ev): -39.7213 -39.7213 -16.4010 -16.4010 -15.7515 -15.7515 -15.7416 -15.7416 11.0929 11.0929 12.2385 12.2385 12.5369 12.5369 12.6574 12.6574 12.7597 12.7597 13.0501 13.0501 13.1052 13.1052 13.4086 13.4086 13.5685 13.5685 14.2152 14.2152 14.8101 14.8101 14.9677 14.9677 15.4806 15.4806 15.7833 15.7833 16.0574 16.0574 16.5830 16.5830 16.8585 16.8585 18.7996 18.7996 18.9278 18.9278 19.0317 19.0317 19.2829 19.2829 k = 0.3707 0.3707-0.0000 ( 4825 PWs) bands (ev): -39.7214 -39.7214 -16.4008 -16.4008 -15.7513 -15.7513 -15.7414 -15.7414 10.9985 10.9985 12.2547 12.2547 12.4943 12.4943 12.6256 12.6256 12.7249 12.7249 13.0366 13.0366 13.1047 13.1047 13.3838 13.3838 13.5766 13.5766 14.2510 14.2510 14.8162 14.8162 15.0042 15.0042 15.5116 15.5116 15.8267 15.8267 16.0508 16.0508 16.6449 16.6449 16.9117 16.9117 18.8151 18.8151 18.9451 18.9451 19.0692 19.0692 19.2302 19.2302 k = 0.3621 0.3621-0.0000 ( 4821 PWs) bands (ev): -39.7214 -39.7214 -16.4006 -16.4006 -15.7510 -15.7510 -15.7412 -15.7412 10.9024 10.9024 12.2628 12.2628 12.4505 12.4505 12.5932 12.5932 12.6864 12.6864 13.0220 13.0220 13.1010 13.1010 13.3697 13.3697 13.5868 13.5868 14.2870 14.2870 14.8221 14.8221 15.0485 15.0485 15.5439 15.5439 15.8620 15.8620 16.0548 16.0548 16.7073 16.7073 16.9641 16.9641 18.8301 18.8301 18.9642 18.9642 19.1002 19.1002 19.1894 19.1894 k = 0.3534 0.3534-0.0000 ( 4821 PWs) bands (ev): -39.7215 -39.7215 -16.4004 -16.4004 -15.7507 -15.7507 -15.7409 -15.7409 10.8050 10.8050 12.2619 12.2619 12.4059 12.4059 12.5601 12.5601 12.6447 12.6447 13.0017 13.0017 13.0955 13.0955 13.3704 13.3704 13.5987 13.5987 14.3230 14.3230 14.8316 14.8316 15.0968 15.0968 15.5773 15.5773 15.8844 15.8844 16.0747 16.0747 16.7696 16.7696 17.0154 17.0154 18.8444 18.8444 18.9852 18.9852 19.0989 19.0989 19.1871 19.1871 k = 0.3448 0.3448-0.0000 ( 4833 PWs) bands (ev): -39.7215 -39.7215 -16.4002 -16.4002 -15.7503 -15.7503 -15.7407 -15.7407 10.7066 10.7066 12.2518 12.2518 12.3609 12.3609 12.5261 12.5261 12.6002 12.6002 12.9725 12.9725 13.0886 13.0886 13.3885 13.3885 13.6123 13.6123 14.3585 14.3585 14.8465 14.8465 15.1470 15.1470 15.6119 15.6119 15.8942 15.8942 16.1112 16.1112 16.8314 16.8314 17.0657 17.0657 18.8575 18.8575 19.0080 19.0080 19.0682 19.0682 19.2207 19.2207 k = 0.3362 0.3362-0.0000 ( 4833 PWs) bands (ev): -39.7215 -39.7215 -16.3999 -16.3999 -15.7500 -15.7500 -15.7404 -15.7404 10.6075 10.6075 12.2329 12.2329 12.3160 12.3160 12.4912 12.4912 12.5536 12.5536 12.9349 12.9349 13.0784 13.0784 13.4246 13.4246 13.6278 13.6278 14.3933 14.3933 14.8676 14.8676 15.1977 15.1977 15.6475 15.6475 15.8970 15.8970 16.1592 16.1592 16.8918 16.8918 17.1150 17.1150 18.8687 18.8687 19.0322 19.0322 19.0368 19.0368 19.2633 19.2633 k = 0.3276 0.3276-0.0000 ( 4837 PWs) bands (ev): -39.7216 -39.7216 -16.3997 -16.3997 -15.7496 -15.7496 -15.7401 -15.7401 10.5081 10.5081 12.2060 12.2060 12.2719 12.2719 12.4552 12.4552 12.5052 12.5052 12.8911 12.8911 13.0625 13.0625 13.4774 13.4774 13.6455 13.6455 14.4269 14.4269 14.8952 14.8952 15.2474 15.2474 15.6843 15.6843 15.8986 15.8986 16.2140 16.2140 16.9503 16.9503 17.1634 17.1634 18.8771 18.8771 19.0113 19.0113 19.0587 19.0587 19.3085 19.3085 k = 0.3190 0.3190-0.0000 ( 4833 PWs) bands (ev): -39.7216 -39.7216 -16.3994 -16.3994 -15.7491 -15.7491 -15.7398 -15.7398 10.4085 10.4085 12.1716 12.1716 12.2292 12.2292 12.4184 12.4184 12.4555 12.4555 12.8432 12.8432 13.0399 13.0399 13.5445 13.5445 13.6659 13.6659 14.4590 14.4590 14.9290 14.9290 15.2948 15.2948 15.7222 15.7222 15.9030 15.9030 16.2728 16.2728 17.0059 17.0059 17.2112 17.2112 18.8812 18.8812 18.9960 18.9960 19.0862 19.0862 19.3551 19.3551 k = 0.3103 0.3103-0.0000 ( 4829 PWs) bands (ev): -39.7217 -39.7217 -16.3991 -16.3991 -15.7487 -15.7487 -15.7395 -15.7395 10.3090 10.3090 12.1311 12.1311 12.1878 12.1878 12.3809 12.3809 12.4051 12.4051 12.7928 12.7928 13.0105 13.0105 13.6219 13.6219 13.6908 13.6908 14.4892 14.4892 14.9688 14.9688 15.3383 15.3383 15.7616 15.7616 15.9132 15.9132 16.3341 16.3341 17.0579 17.0579 17.2591 17.2591 18.8809 18.8809 18.9915 18.9915 19.1150 19.1150 19.4024 19.4024 k = 0.3017 0.3017-0.0000 ( 4829 PWs) bands (ev): -39.7217 -39.7217 -16.3988 -16.3988 -15.7482 -15.7482 -15.7392 -15.7392 10.2099 10.2099 12.0862 12.0862 12.1471 12.1471 12.3429 12.3429 12.3542 12.3542 12.7409 12.7409 12.9747 12.9747 13.6919 13.6919 13.7358 13.7358 14.5170 14.5170 15.0137 15.0137 15.3767 15.3767 15.8026 15.8026 15.9310 15.9310 16.3971 16.3971 17.1053 17.1053 17.3077 17.3077 18.8785 18.8785 18.9960 18.9960 19.1449 19.1449 19.4501 19.4501 k = 0.2931 0.2931-0.0000 ( 4833 PWs) bands (ev): -39.7218 -39.7218 -16.3985 -16.3985 -15.7478 -15.7478 -15.7389 -15.7389 10.1113 10.1113 12.0384 12.0384 12.1064 12.1064 12.3030 12.3030 12.3048 12.3048 12.6881 12.6881 12.9331 12.9331 13.7284 13.7284 13.8252 13.8252 14.5423 14.5423 15.0628 15.0628 15.4094 15.4094 15.8452 15.8452 15.9581 15.9581 16.4611 16.4611 17.1477 17.1477 17.3574 17.3574 18.8775 18.8775 19.0064 19.0064 19.1759 19.1759 19.4981 19.4981 k = 0.2845 0.2845-0.0000 ( 4841 PWs) bands (ev): -39.7219 -39.7219 -16.3982 -16.3982 -15.7472 -15.7472 -15.7386 -15.7386 10.0134 10.0134 11.9887 11.9887 12.0654 12.0654 12.2524 12.2524 12.2662 12.2662 12.6350 12.6350 12.8867 12.8867 13.7583 13.7583 13.9308 13.9308 14.5647 14.5647 15.1145 15.1145 15.4373 15.4373 15.8885 15.8885 15.9956 15.9956 16.5259 16.5259 17.1851 17.1851 17.4083 17.4083 18.8801 18.8801 19.0204 19.0204 19.2076 19.2076 19.5462 19.5462 k = 0.2759 0.2759-0.0000 ( 4843 PWs) bands (ev): -39.7219 -39.7219 -16.3978 -16.3978 -15.7467 -15.7467 -15.7382 -15.7382 9.9165 9.9165 11.9379 11.9379 12.0240 12.0240 12.2020 12.2020 12.2279 12.2279 12.5819 12.5819 12.8360 12.8360 13.7884 13.7884 14.0444 14.0444 14.5842 14.5842 15.1663 15.1663 15.4630 15.4630 15.9316 15.9316 16.0437 16.0437 16.5911 16.5911 17.2180 17.2180 17.4605 17.4605 18.8877 18.8877 19.0369 19.0369 19.2401 19.2401 19.5942 19.5942 k = 0.2672 0.2672-0.0000 ( 4843 PWs) bands (ev): -39.7220 -39.7220 -16.3975 -16.3975 -15.7461 -15.7461 -15.7379 -15.7379 9.8207 9.8207 11.8863 11.8863 11.9824 11.9824 12.1522 12.1522 12.1898 12.1898 12.5291 12.5291 12.7819 12.7819 13.8194 13.8194 14.1641 14.1641 14.6007 14.6007 15.2147 15.2147 15.4908 15.4908 15.9737 15.9737 16.1014 16.1014 16.6563 16.6563 17.2476 17.2476 17.5135 17.5135 18.9007 18.9007 19.0551 19.0551 19.2733 19.2733 19.6420 19.6420 k = 0.2586 0.2586-0.0000 ( 4843 PWs) bands (ev): -39.7221 -39.7221 -16.3971 -16.3971 -15.7455 -15.7455 -15.7375 -15.7375 9.7263 9.7263 11.8342 11.8342 11.9409 11.9409 12.1031 12.1031 12.1520 12.1520 12.4768 12.4768 12.7252 12.7252 13.8515 13.8515 14.2890 14.2890 14.6143 14.6143 15.2553 15.2553 15.5261 15.5261 16.0151 16.0151 16.1664 16.1664 16.7215 16.7215 17.2751 17.2751 17.5668 17.5668 18.9189 18.9189 19.0747 19.0747 19.3068 19.3068 19.6895 19.6895 k = 0.2500 0.2500-0.0000 ( 4839 PWs) bands (ev): -39.7221 -39.7221 -16.3967 -16.3967 -15.7449 -15.7449 -15.7371 -15.7371 9.6333 9.6333 11.7819 11.7819 11.8995 11.8995 12.0548 12.0548 12.1147 12.1147 12.4252 12.4252 12.6664 12.6664 13.8843 13.8843 14.4177 14.4177 14.6257 14.6257 15.2845 15.2845 15.5733 15.5733 16.0560 16.0560 16.2364 16.2364 16.7862 16.7862 17.3024 17.3024 17.6201 17.6201 18.9421 18.9421 19.0957 19.0957 19.3408 19.3408 19.7366 19.7366 k = 0.2414 0.2414-0.0000 ( 4839 PWs) bands (ev): -39.7222 -39.7222 -16.3963 -16.3963 -15.7443 -15.7443 -15.7368 -15.7368 9.5419 9.5419 11.7297 11.7297 11.8585 11.8585 12.0074 12.0074 12.0778 12.0778 12.3744 12.3744 12.6062 12.6062 13.9177 13.9177 14.5462 14.5462 14.6384 14.6384 15.3024 15.3024 15.6334 15.6334 16.0969 16.0969 16.3091 16.3091 16.8501 16.8501 17.3311 17.3311 17.6729 17.6729 18.9697 18.9697 19.1179 19.1179 19.3750 19.3750 19.7832 19.7832 k = 0.2328 0.2328-0.0000 ( 4831 PWs) bands (ev): -39.7223 -39.7223 -16.3959 -16.3959 -15.7437 -15.7437 -15.7364 -15.7364 9.4523 9.4523 11.6777 11.6777 11.8180 11.8180 11.9609 11.9609 12.0416 12.0416 12.3247 12.3247 12.5452 12.5452 13.9514 13.9514 14.6224 14.6224 14.7038 14.7038 15.3117 15.3117 15.7041 15.7041 16.1377 16.1377 16.3822 16.3822 16.9130 16.9130 17.3633 17.3633 17.7250 17.7250 19.0011 19.0011 19.1414 19.1414 19.4094 19.4094 19.8291 19.8291 k = 0.2241 0.2241-0.0000 ( 4829 PWs) bands (ev): -39.7223 -39.7223 -16.3954 -16.3954 -15.7430 -15.7430 -15.7360 -15.7360 9.3647 9.3647 11.6262 11.6262 11.7782 11.7782 11.9154 11.9154 12.0059 12.0059 12.2761 12.2761 12.4837 12.4837 13.9853 13.9853 14.6313 14.6313 14.8356 14.8356 15.3165 15.3165 15.7826 15.7826 16.1786 16.1786 16.4540 16.4540 16.9744 16.9744 17.4011 17.4011 17.7761 17.7761 19.0355 19.0355 19.1662 19.1662 19.4437 19.4437 19.8743 19.8743 k = 0.2155 0.2155-0.0000 ( 4823 PWs) bands (ev): -39.7224 -39.7224 -16.3950 -16.3950 -15.7423 -15.7423 -15.7357 -15.7357 9.2792 9.2792 11.5754 11.5754 11.7391 11.7391 11.8708 11.8708 11.9709 11.9709 12.2286 12.2286 12.4225 12.4225 14.0192 14.0192 14.6325 14.6325 14.9721 14.9721 15.3213 15.3213 15.8666 15.8666 16.2196 16.2196 16.5225 16.5225 17.0343 17.0343 17.4463 17.4463 17.8261 17.8261 19.0721 19.0721 19.1926 19.1926 19.4780 19.4780 19.9187 19.9187 k = 0.2069 0.2069-0.0000 ( 4829 PWs) bands (ev): -39.7225 -39.7225 -16.3946 -16.3946 -15.7416 -15.7416 -15.7353 -15.7353 9.1959 9.1959 11.5254 11.5254 11.7010 11.7010 11.8272 11.8272 11.9366 11.9366 12.1826 12.1826 12.3617 12.3617 14.0529 14.0529 14.6306 14.6306 15.1002 15.1002 15.3356 15.3356 15.9543 15.9543 16.2608 16.2608 16.5862 16.5862 17.0926 17.0926 17.5004 17.5004 17.8749 17.8749 19.1101 19.1101 19.2209 19.2209 19.5121 19.5121 19.9622 19.9622 k = 0.1983 0.1983-0.0000 ( 4831 PWs) bands (ev): -39.7225 -39.7225 -16.3941 -16.3941 -15.7409 -15.7409 -15.7349 -15.7349 9.1149 9.1149 11.4764 11.4764 11.6638 11.6638 11.7847 11.7847 11.9030 11.9030 12.1379 12.1379 12.3019 12.3019 14.0861 14.0861 14.6267 14.6267 15.1926 15.1926 15.3867 15.3867 16.0442 16.0442 16.3026 16.3026 16.6443 16.6443 17.1494 17.1494 17.5642 17.5642 17.9224 17.9224 19.1484 19.1484 19.2512 19.2512 19.5459 19.5459 20.0047 20.0047 k = 0.1897 0.1897-0.0000 ( 4827 PWs) bands (ev): -39.7226 -39.7226 -16.3937 -16.3937 -15.7402 -15.7402 -15.7346 -15.7346 9.0365 9.0365 11.4286 11.4286 11.6276 11.6276 11.7432 11.7432 11.8702 11.8702 12.0947 12.0947 12.2435 12.2435 14.1186 14.1186 14.6210 14.6210 15.2273 15.2273 15.4966 15.4966 16.1344 16.1344 16.3453 16.3453 16.6964 16.6964 17.2050 17.2050 17.6380 17.6380 17.9686 17.9686 19.1862 19.1862 19.2841 19.2841 19.5792 19.5792 20.0461 20.0461 k = 0.1810 0.1810-0.0000 ( 4827 PWs) bands (ev): -39.7227 -39.7227 -16.3932 -16.3932 -15.7395 -15.7395 -15.7342 -15.7342 8.9606 8.9606 11.3821 11.3821 11.5926 11.5926 11.7027 11.7027 11.8383 11.8383 12.0531 12.0531 12.1867 12.1867 14.1504 14.1504 14.6140 14.6140 15.2332 15.2332 15.6364 15.6364 16.2226 16.2226 16.3904 16.3904 16.7433 16.7433 17.2596 17.2596 17.7209 17.7209 18.0136 18.0136 19.2227 19.2227 19.3197 19.3197 19.6120 19.6120 20.0864 20.0864 k = 0.1724 0.1724-0.0000 ( 4831 PWs) bands (ev): -39.7228 -39.7228 -16.3928 -16.3928 -15.7388 -15.7388 -15.7338 -15.7338 8.8875 8.8875 11.3370 11.3370 11.5588 11.5588 11.6633 11.6633 11.8071 11.8071 12.0132 12.0132 12.1319 12.1319 14.1811 14.1811 14.6059 14.6059 15.2301 15.2301 15.7861 15.7861 16.3047 16.3047 16.4405 16.4405 16.7868 16.7868 17.3132 17.3132 17.8119 17.8119 18.0576 18.0576 19.2575 19.2575 19.3577 19.3577 19.6441 19.6441 20.1254 20.1254 k = 0.1638 0.1638-0.0000 ( 4831 PWs) bands (ev): -39.7228 -39.7228 -16.3923 -16.3923 -15.7381 -15.7381 -15.7335 -15.7335 8.8173 8.8173 11.2935 11.2935 11.5262 11.5262 11.6250 11.6250 11.7768 11.7768 11.9749 11.9749 12.0793 12.0793 14.2107 14.2107 14.5969 14.5969 15.2237 15.2237 15.9393 15.9393 16.3751 16.3751 16.4991 16.4991 16.8295 16.8295 17.3656 17.3656 17.9090 17.9090 18.1014 18.1014 19.2909 19.2909 19.3978 19.3978 19.6754 19.6754 20.1631 20.1631 k = 0.1552 0.1552-0.0000 ( 4831 PWs) bands (ev): -39.7229 -39.7229 -16.3919 -16.3919 -15.7374 -15.7374 -15.7332 -15.7332 8.7500 8.7500 11.2517 11.2517 11.4949 11.4949 11.5878 11.5878 11.7474 11.7474 11.9385 11.9385 12.0293 12.0293 14.2390 14.2390 14.5872 14.5872 15.2160 15.2160 16.0933 16.0933 16.4314 16.4314 16.5659 16.5659 16.8755 16.8755 17.4167 17.4167 18.0088 18.0088 18.1470 18.1470 19.3230 19.3230 19.4390 19.4390 19.7057 19.7057 20.1994 20.1994 k = 0.1466 0.1466-0.0000 ( 4833 PWs) bands (ev): -39.7230 -39.7230 -16.3915 -16.3915 -15.7367 -15.7367 -15.7328 -15.7328 8.6857 8.6857 11.2116 11.2116 11.4650 11.4650 11.5517 11.5517 11.7190 11.7190 11.9038 11.9038 11.9819 11.9819 14.2657 14.2657 14.5771 14.5771 15.2080 15.2080 16.2458 16.2458 16.4771 16.4771 16.6344 16.6344 16.9297 16.9297 17.4661 17.4661 18.1021 18.1021 18.2024 18.2024 19.3542 19.3542 19.4806 19.4806 19.7349 19.7349 20.2342 20.2342 k = 0.1379 0.1379-0.0000 ( 4845 PWs) bands (ev): -39.7230 -39.7230 -16.3911 -16.3911 -15.7360 -15.7360 -15.7325 -15.7325 8.6247 8.6247 11.1733 11.1733 11.4365 11.4365 11.5168 11.5168 11.6915 11.6915 11.8710 11.8710 11.9374 11.9374 14.2908 14.2908 14.5668 14.5668 15.2000 15.2000 16.3928 16.3928 16.5165 16.5165 16.6994 16.6994 16.9964 16.9964 17.5136 17.5136 18.1713 18.1713 18.2841 18.2841 19.3849 19.3849 19.5219 19.5219 19.7629 19.7629 20.2673 20.2673 k = 0.1293 0.1293-0.0000 ( 4843 PWs) bands (ev): -39.7231 -39.7231 -16.3907 -16.3907 -15.7354 -15.7354 -15.7322 -15.7322 8.5668 8.5668 11.1370 11.1370 11.4095 11.4095 11.4832 11.4832 11.6651 11.6651 11.8401 11.8401 11.8959 11.8959 14.3143 14.3143 14.5563 14.5563 15.1924 15.1924 16.5261 16.5261 16.5521 16.5521 16.7652 16.7652 17.0769 17.0769 17.5590 17.5590 18.2178 18.2178 18.3895 18.3895 19.4153 19.4153 19.5622 19.5622 19.7894 19.7894 20.2985 20.2985 k = 0.1207 0.1207-0.0000 ( 4843 PWs) bands (ev): -39.7231 -39.7231 -16.3903 -16.3903 -15.7348 -15.7348 -15.7320 -15.7320 8.5123 8.5123 11.1027 11.1027 11.3839 11.3839 11.4508 11.4508 11.6398 11.6398 11.8111 11.8111 11.8575 11.8575 14.3358 14.3358 14.5459 14.5459 15.1855 15.1855 16.5845 16.5845 16.6293 16.6293 16.8489 16.8489 17.1690 17.1690 17.6021 17.6021 18.2550 18.2550 18.5042 18.5042 19.4456 19.4456 19.6009 19.6009 19.8142 19.8142 20.3263 20.3263 k = 0.1121 0.1121-0.0000 ( 4839 PWs) bands (ev): -39.7232 -39.7232 -16.3899 -16.3899 -15.7341 -15.7341 -15.7317 -15.7317 8.4612 8.4612 11.0705 11.0705 11.3600 11.3600 11.4200 11.4200 11.6156 11.6156 11.7841 11.7841 11.8222 11.8222 14.3556 14.3556 14.5357 14.5357 15.1793 15.1793 16.6149 16.6149 16.6918 16.6918 16.9624 16.9624 17.2697 17.2697 17.6428 17.6428 18.2880 18.2880 18.6221 18.6221 19.4761 19.4761 19.6376 19.6376 19.8371 19.8371 20.3375 20.3375 k = 0.1034 0.1034-0.0000 ( 4837 PWs) bands (ev): -39.7233 -39.7233 -16.3895 -16.3895 -15.7336 -15.7336 -15.7314 -15.7314 8.4135 8.4135 11.0403 11.0403 11.3376 11.3376 11.3907 11.3907 11.5928 11.5928 11.7591 11.7591 11.7900 11.7900 14.3734 14.3734 14.5258 14.5258 15.1739 15.1739 16.6430 16.6430 16.7272 16.7272 17.0935 17.0935 17.3764 17.3764 17.6812 17.6812 18.3183 18.3183 18.7406 18.7406 19.5069 19.5069 19.6715 19.6715 19.8577 19.8578 20.3161 20.3161 k = 0.0948 0.0948-0.0000 ( 4843 PWs) bands (ev): -39.7233 -39.7233 -16.3892 -16.3892 -15.7330 -15.7330 -15.7312 -15.7312 8.3694 8.3694 11.0124 11.0124 11.3169 11.3169 11.3630 11.3630 11.5713 11.5713 11.7361 11.7361 11.7608 11.7608 14.3892 14.3892 14.5163 14.5163 15.1693 15.1693 16.6692 16.6692 16.7495 16.7495 17.2285 17.2285 17.4877 17.4877 17.7172 17.7172 18.3465 18.3465 18.8578 18.8578 19.5386 19.5386 19.7019 19.7020 19.8758 19.8758 20.2868 20.2868 k = 0.0862 0.0862-0.0000 ( 4847 PWs) bands (ev): -39.7234 -39.7234 -16.3889 -16.3889 -15.7325 -15.7325 -15.7310 -15.7310 8.3290 8.3290 10.9867 10.9867 11.2979 11.2979 11.3372 11.3372 11.5513 11.5513 11.7151 11.7151 11.7345 11.7345 14.4033 14.4033 14.5073 14.5073 15.1656 15.1656 16.6932 16.6932 16.7650 16.7650 17.3602 17.3602 17.6024 17.6024 17.7514 17.7514 18.3730 18.3730 18.9721 18.9721 19.5717 19.5717 19.7279 19.7279 19.8909 19.8909 20.2552 20.2552 k = 0.0776 0.0776-0.0000 ( 4853 PWs) bands (ev): -39.7234 -39.7234 -16.3886 -16.3886 -15.7320 -15.7320 -15.7308 -15.7308 8.2922 8.2922 10.9633 10.9633 11.2806 11.2806 11.3133 11.3133 11.5328 11.5328 11.6961 11.6961 11.7111 11.7111 14.4155 14.4155 14.4989 14.4989 15.1628 15.1628 16.7151 16.7151 16.7764 16.7764 17.4841 17.4841 17.7182 17.7182 17.7857 17.7857 18.3980 18.3980 19.0812 19.0812 19.6071 19.6071 19.7477 19.7477 19.9026 19.9026 20.2237 20.2237 k = 0.0690 0.0690-0.0000 ( 4853 PWs) bands (ev): -39.7234 -39.7234 -16.3883 -16.3883 -15.7316 -15.7316 -15.7306 -15.7306 8.2591 8.2591 10.9422 10.9422 11.2650 11.2650 11.2915 11.2915 11.5161 11.5161 11.6791 11.6791 11.6905 11.6905 14.4259 14.4259 14.4913 14.4913 15.1606 15.1606 16.7349 16.7349 16.7853 16.7853 17.5968 17.5968 17.8031 17.8031 17.8524 17.8524 18.4219 18.4219 19.1828 19.1828 19.6461 19.6461 19.7589 19.7589 19.9110 19.9110 20.1953 20.1953 k = 0.0603 0.0603-0.0000 ( 4855 PWs) bands (ev): -39.7235 -39.7235 -16.3881 -16.3881 -15.7312 -15.7312 -15.7304 -15.7304 8.2298 8.2298 10.9236 10.9236 11.2512 11.2512 11.2719 11.2719 11.5011 11.5011 11.6642 11.6642 11.6726 11.6726 14.4348 14.4348 14.4843 14.4843 15.1591 15.1591 16.7526 16.7526 16.7922 16.7922 17.6941 17.6941 17.8397 17.8397 17.9693 17.9693 18.4446 18.4446 19.2737 19.2737 19.6900 19.6900 19.7582 19.7582 19.9170 19.9170 20.1736 20.1736 k = 0.0517 0.0517-0.0000 ( 4847 PWs) bands (ev): -39.7235 -39.7235 -16.3879 -16.3879 -15.7309 -15.7309 -15.7303 -15.7303 8.2044 8.2044 10.9073 10.9073 11.2391 11.2391 11.2547 11.2547 11.4880 11.4880 11.6512 11.6512 11.6572 11.6572 14.4421 14.4421 14.4782 14.4782 15.1581 15.1581 16.7680 16.7680 16.7977 16.7977 17.7696 17.7696 17.8790 17.8790 18.0889 18.0889 18.4664 18.4664 19.3512 19.3512 19.7346 19.7346 19.7471 19.7471 19.9221 19.9221 20.1622 20.1622 k = 0.0431 0.0431-0.0000 ( 4855 PWs) bands (ev): -39.7235 -39.7235 -16.3877 -16.3877 -15.7306 -15.7306 -15.7302 -15.7302 8.1828 8.1828 10.8935 10.8935 11.2289 11.2289 11.2399 11.2399 11.4768 11.4768 11.6403 11.6403 11.6444 11.6444 14.4481 14.4481 14.4729 14.4729 15.1576 15.1576 16.7811 16.7811 16.8021 16.8021 17.8173 17.8173 17.9293 17.9293 18.2044 18.2044 18.4871 18.4871 19.4135 19.4135 19.7100 19.7100 19.7942 19.7942 19.9274 19.9274 20.1639 20.1639 k = 0.0345 0.0345-0.0000 ( 4859 PWs) bands (ev): -39.7236 -39.7236 -16.3876 -16.3876 -15.7303 -15.7303 -15.7301 -15.7301 8.1650 8.1650 10.8821 10.8821 11.2206 11.2206 11.2276 11.2276 11.4676 11.4676 11.6314 11.6314 11.6339 11.6339 14.4528 14.4528 14.4686 14.4686 15.1573 15.1573 16.7919 16.7919 16.8055 16.8055 17.8446 17.8446 17.9831 17.9831 18.3117 18.3117 18.5064 18.5064 19.4610 19.4610 19.6681 19.6681 19.8460 19.8460 19.9325 19.9325 20.1811 20.1811 k = 0.0259 0.0259-0.0000 ( 4857 PWs) bands (ev): -39.7236 -39.7236 -16.3875 -16.3875 -15.7301 -15.7301 -15.7300 -15.7300 8.1512 8.1512 10.8732 10.8732 11.2140 11.2140 11.2181 11.2181 11.4604 11.4604 11.6245 11.6245 11.6259 11.6259 14.4563 14.4563 14.4651 14.4651 15.1572 15.1572 16.8003 16.8003 16.8080 16.8080 17.8614 17.8614 18.0297 18.0297 18.4063 18.4063 18.5235 18.5235 19.4955 19.4955 19.6218 19.6218 19.8895 19.8895 19.9367 19.9367 20.2157 20.2157 k = 0.0172 0.0172-0.0000 ( 4857 PWs) bands (ev): -39.7236 -39.7236 -16.3874 -16.3874 -15.7300 -15.7300 -15.7299 -15.7299 8.1413 8.1413 10.8669 10.8669 11.2094 11.2094 11.2112 11.2112 11.4552 11.4552 11.6195 11.6195 11.6201 11.6201 14.4588 14.4588 14.4627 14.4627 15.1572 15.1572 16.8064 16.8064 16.8098 16.8098 17.8721 17.8721 18.0644 18.0644 18.4820 18.4820 18.5373 18.5373 19.5189 19.5189 19.5790 19.5790 19.9195 19.9195 19.9394 19.9394 20.2659 20.2659 k = 0.0086 0.0086-0.0000 ( 4845 PWs) bands (ev): -39.7236 -39.7236 -16.3873 -16.3873 -15.7299 -15.7299 -15.7299 -15.7299 8.1354 8.1354 10.8631 10.8631 11.2065 11.2065 11.2070 11.2070 11.4521 11.4521 11.6165 11.6165 11.6167 11.6167 14.4602 14.4602 14.4612 14.4612 15.1573 15.1573 16.8100 16.8100 16.8109 16.8109 17.8781 17.8781 18.0856 18.0856 18.5319 18.5319 18.5463 18.5463 19.5325 19.5325 19.5483 19.5483 19.9361 19.9361 19.9409 19.9409 20.3212 20.3212 k = 0.0000 0.0000 0.0000 ( 4801 PWs) bands (ev): -39.7236 -39.7236 -16.3873 -16.3873 -15.7299 -15.7299 -15.7299 -15.7299 8.1334 8.1334 10.8618 10.8618 11.2056 11.2056 11.2056 11.2056 11.4511 11.4511 11.6156 11.6156 11.6156 11.6156 14.4607 14.4607 14.4607 14.4607 15.1573 15.1573 16.8112 16.8112 16.8112 16.8112 17.8801 17.8801 18.0927 18.0927 18.5494 18.5494 18.5494 18.5494 19.5370 19.5370 19.5370 19.5370 19.9413 19.9413 19.9413 19.9413 20.3509 20.3509 k = 0.0000 0.0000 0.0000 ( 4801 PWs) bands (ev): -39.7236 -39.7236 -16.3873 -16.3873 -15.7299 -15.7299 -15.7299 -15.7299 8.1334 8.1334 10.8618 10.8618 11.2056 11.2056 11.2056 11.2056 11.4511 11.4511 11.6156 11.6156 11.6156 11.6156 14.4607 14.4607 14.4607 14.4607 15.1573 15.1573 16.8112 16.8112 16.8112 16.8112 17.8801 17.8801 18.0927 18.0927 18.5494 18.5494 18.5494 18.5494 19.5370 19.5370 19.5370 19.5370 19.9413 19.9413 19.9413 19.9413 20.3509 20.3509 k = 0.0071 0.0071 0.0071 ( 4843 PWs) bands (ev): -39.7236 -39.7236 -16.3873 -16.3873 -15.7299 -15.7299 -15.7299 -15.7299 8.1355 8.1355 10.8631 10.8631 11.2067 11.2067 11.2070 11.2070 11.4521 11.4521 11.6166 11.6166 11.6167 11.6167 14.4602 14.4602 14.4612 14.4612 15.1573 15.1573 16.8102 16.8102 16.8106 16.8106 17.8780 17.8780 18.0854 18.0854 18.5310 18.5310 18.5466 18.5466 19.5315 19.5315 19.5495 19.5495 19.9360 19.9360 19.9408 19.9408 20.3206 20.3206 k = 0.0143 0.0143 0.0143 ( 4867 PWs) bands (ev): -39.7236 -39.7236 -16.3874 -16.3874 -15.7300 -15.7300 -15.7299 -15.7299 8.1416 8.1416 10.8671 10.8671 11.2098 11.2098 11.2110 11.2110 11.4553 11.4553 11.6197 11.6197 11.6202 11.6202 14.4587 14.4587 14.4627 14.4627 15.1572 15.1572 16.8073 16.8073 16.8087 16.8087 17.8718 17.8718 18.0638 18.0638 18.4786 18.4786 18.5383 18.5383 19.5153 19.5153 19.5835 19.5835 19.9187 19.9187 19.9394 19.9394 20.2647 20.2647 k = 0.0214 0.0214 0.0214 ( 4867 PWs) bands (ev): -39.7236 -39.7236 -16.3875 -16.3875 -15.7301 -15.7301 -15.7300 -15.7300 8.1518 8.1518 10.8736 10.8736 11.2150 11.2150 11.2177 11.2177 11.4607 11.4607 11.6249 11.6249 11.6260 11.6260 14.4562 14.4562 14.4653 14.4653 15.1572 15.1572 16.8024 16.8024 16.8055 16.8055 17.8606 17.8606 18.0287 18.0287 18.3992 18.3992 18.5253 18.5253 19.4885 19.4885 19.6310 19.6310 19.8867 19.8867 19.9376 19.9376 20.2131 20.2131 k = 0.0286 0.0286 0.0286 ( 4867 PWs) bands (ev): -39.7236 -39.7236 -16.3876 -16.3876 -15.7303 -15.7303 -15.7301 -15.7301 8.1660 8.1660 10.8827 10.8827 11.2222 11.2222 11.2271 11.2271 11.4681 11.4681 11.6321 11.6321 11.6342 11.6342 14.4525 14.4525 14.4688 14.4688 15.1574 15.1574 16.7956 16.7956 16.8010 16.8010 17.8428 17.8428 17.9822 17.9822 18.3000 18.3000 18.5084 18.5084 19.4509 19.4509 19.6827 19.6827 19.8413 19.8413 19.9368 19.9368 20.1722 20.1722 k = 0.0357 0.0357 0.0357 ( 4861 PWs) bands (ev): -39.7235 -39.7235 -16.3877 -16.3877 -15.7305 -15.7305 -15.7302 -15.7302 8.1842 8.1842 10.8944 10.8944 11.2314 11.2314 11.2391 11.2391 11.4776 11.4776 11.6415 11.6415 11.6449 11.6449 14.4476 14.4476 14.4733 14.4733 15.1577 15.1577 16.7869 16.7869 16.7952 16.7952 17.8143 17.8143 17.9291 17.9291 18.1870 18.1870 18.4887 18.4887 19.4014 19.4014 19.7293 19.7293 19.7891 19.7891 19.9394 19.9394 20.1394 20.1394 k = 0.0429 0.0429 0.0429 ( 4855 PWs) bands (ev): -39.7235 -39.7235 -16.3879 -16.3879 -15.7308 -15.7308 -15.7304 -15.7304 8.2064 8.2064 10.9087 10.9087 11.2425 11.2425 11.2536 11.2536 11.4891 11.4891 11.6530 11.6530 11.6580 11.6580 14.4414 14.4414 14.4788 14.4788 15.1584 15.1584 16.7762 16.7762 16.7878 16.7878 17.7669 17.7669 17.8784 17.8784 18.0642 18.0642 18.4669 18.4669 19.3390 19.3390 19.7375 19.7375 19.7620 19.7620 19.9489 19.9489 20.1096 20.1096 k = 0.0500 0.0500 0.0500 ( 4855 PWs) bands (ev): -39.7235 -39.7235 -16.3881 -16.3881 -15.7311 -15.7311 -15.7306 -15.7306 8.2326 8.2326 10.9254 10.9254 11.2555 11.2555 11.2707 11.2707 11.5026 11.5026 11.6665 11.6665 11.6737 11.6737 14.4337 14.4337 14.4851 14.4851 15.1596 15.1596 16.7637 16.7637 16.7789 16.7789 17.6955 17.6955 17.8365 17.8365 17.9346 17.9346 18.4439 18.4439 19.2638 19.2638 19.6916 19.6916 19.7757 19.7757 19.9668 19.9668 20.0793 20.0793 k = 0.0571 0.0571 0.0571 ( 4854 PWs) bands (ev): -39.7234 -39.7234 -16.3884 -16.3884 -15.7315 -15.7315 -15.7308 -15.7308 8.2627 8.2627 10.9447 10.9447 11.2702 11.2702 11.2901 11.2901 11.5180 11.5180 11.6823 11.6823 11.6920 11.6920 14.4244 14.4244 14.4922 14.4922 15.1614 15.1614 16.7492 16.7492 16.7682 16.7682 17.6052 17.6052 17.7992 17.7992 17.8004 17.8004 18.4202 18.4202 19.1775 19.1775 19.6529 19.6529 19.7724 19.7724 19.9890 19.9890 20.0466 20.0466 k = 0.0643 0.0643 0.0643 ( 4848 PWs) bands (ev): -39.7234 -39.7234 -16.3886 -16.3886 -15.7319 -15.7319 -15.7310 -15.7310 8.2967 8.2967 10.9664 10.9664 11.2867 11.2867 11.3120 11.3120 11.5352 11.5352 11.7002 11.7002 11.7131 11.7131 14.4133 14.4133 14.5002 14.5002 15.1640 15.1640 16.7329 16.7329 16.7553 16.7553 17.5027 17.5027 17.6634 17.6634 17.7610 17.7610 18.3964 18.3964 19.0827 19.0827 19.6206 19.6206 19.7569 19.7569 20.0100 20.0100 20.0108 20.0108 k = 0.0714 0.0714 0.0714 ( 4845 PWs) bands (ev): -39.7234 -39.7234 -16.3889 -16.3889 -15.7323 -15.7323 -15.7312 -15.7312 8.3345 8.3345 10.9905 10.9905 11.3047 11.3047 11.3361 11.3361 11.5542 11.5542 11.7203 11.7203 11.7370 11.7370 14.4003 14.4003 14.5089 14.5089 15.1675 15.1675 16.7147 16.7147 16.7396 16.7396 17.3916 17.3916 17.5253 17.5253 17.7196 17.7196 18.3728 18.3728 18.9822 18.9822 19.5934 19.5934 19.7330 19.7330 19.9719 19.9719 20.0267 20.0267 k = 0.0786 0.0786 0.0786 ( 4845 PWs) bands (ev): -39.7233 -39.7233 -16.3893 -16.3893 -15.7328 -15.7328 -15.7315 -15.7315 8.3760 8.3760 11.0169 11.0169 11.3242 11.3242 11.3623 11.3623 11.5749 11.5749 11.7426 11.7426 11.7639 11.7639 14.3854 14.3854 14.5182 14.5182 15.1719 15.1719 16.6945 16.6945 16.7200 16.7200 17.2742 17.2742 17.3880 17.3880 17.6738 17.6738 18.3497 18.3497 18.8782 18.8782 19.5700 19.5700 19.7027 19.7027 19.9300 19.9300 20.0383 20.0383 k = 0.0857 0.0857 0.0857 ( 4842 PWs) bands (ev): -39.7232 -39.7232 -16.3896 -16.3896 -15.7333 -15.7333 -15.7318 -15.7318 8.4212 8.4212 11.0455 11.0455 11.3451 11.3451 11.3905 11.3905 11.5972 11.5972 11.7673 11.7673 11.7938 11.7938 14.3684 14.3684 14.5281 14.5281 15.1774 15.1774 16.6721 16.6721 16.6945 16.6945 17.1522 17.1522 17.2542 17.2542 17.6232 17.6232 18.3271 18.3271 18.7725 18.7725 19.5491 19.5491 19.6674 19.6674 19.8854 19.8854 20.0455 20.0455 k = 0.0929 0.0929 0.0929 ( 4839 PWs) bands (ev): -39.7232 -39.7232 -16.3900 -16.3900 -15.7339 -15.7339 -15.7321 -15.7321 8.4699 8.4699 11.0764 11.0764 11.3673 11.3673 11.4205 11.4205 11.6210 11.6210 11.7943 11.7943 11.8268 11.8268 14.3494 14.3494 14.5384 14.5384 15.1839 15.1839 16.6472 16.6472 16.6598 16.6598 17.0273 17.0273 17.1280 17.1280 17.5675 17.5675 18.3048 18.3048 18.6667 18.6667 19.5300 19.5300 19.6277 19.6277 19.8386 19.8386 20.0490 20.0490 k = 0.1000 0.1000 0.1000 ( 4827 PWs) bands (ev): -39.7231 -39.7231 -16.3903 -16.3903 -15.7344 -15.7344 -15.7325 -15.7325 8.5221 8.5221 11.1094 11.1094 11.3907 11.3907 11.4522 11.4522 11.6462 11.6462 11.8237 11.8237 11.8630 11.8630 14.3282 14.3282 14.5492 14.5492 15.1913 15.1913 16.6098 16.6098 16.6188 16.6188 16.9016 16.9016 17.0156 17.0156 17.5071 17.5071 18.2818 18.2818 18.5626 18.5626 19.5118 19.5118 19.5845 19.5845 19.7903 19.7903 20.0498 20.0498 k = 0.1071 0.1071 0.1071 ( 4839 PWs) bands (ev): -39.7231 -39.7231 -16.3907 -16.3907 -15.7350 -15.7350 -15.7328 -15.7328 8.5777 8.5777 11.1443 11.1443 11.4152 11.4152 11.4854 11.4854 11.6729 11.6729 11.8557 11.8557 11.9023 11.9023 14.3051 14.3051 14.5603 14.5603 15.1996 15.1996 16.5379 16.5379 16.5838 16.5838 16.7791 16.7791 16.9246 16.9246 17.4420 17.4420 18.2559 18.2559 18.4634 18.4634 19.4938 19.4938 19.5381 19.5381 19.7411 19.7411 20.0486 20.0486 k = 0.1143 0.1143 0.1143 ( 4833 PWs) bands (ev): -39.7230 -39.7230 -16.3911 -16.3911 -15.7357 -15.7357 -15.7332 -15.7332 8.6366 8.6366 11.1811 11.1811 11.4406 11.4406 11.5197 11.5197 11.7011 11.7011 11.8902 11.8902 11.9448 11.9448 14.2799 14.2799 14.5715 14.5715 15.2085 15.2085 16.4414 16.4414 16.5318 16.5318 16.6712 16.6712 16.8576 16.8576 17.3727 17.3727 18.2207 18.2207 18.3758 18.3758 19.4752 19.4752 19.4894 19.4894 19.6921 19.6921 20.0460 20.0460 k = 0.1214 0.1214 0.1214 ( 4833 PWs) bands (ev): -39.7229 -39.7229 -16.3916 -16.3916 -15.7363 -15.7363 -15.7335 -15.7335 8.6985 8.6985 11.2197 11.2197 11.4669 11.4669 11.5552 11.5552 11.7307 11.7307 11.9273 11.9273 11.9905 11.9905 14.2530 14.2530 14.5829 14.5829 15.2177 15.2177 16.3255 16.3255 16.4439 16.4439 16.5975 16.5975 16.8102 16.8102 17.2995 17.2995 18.1641 18.1641 18.3122 18.3122 19.4387 19.4387 19.4547 19.4547 19.6445 19.6445 20.0422 20.0422 k = 0.1286 0.1286 0.1286 ( 4833 PWs) bands (ev): -39.7229 -39.7229 -16.3920 -16.3920 -15.7369 -15.7369 -15.7339 -15.7339 8.7634 8.7634 11.2598 11.2598 11.4940 11.4940 11.5914 11.5914 11.7617 11.7617 11.9671 11.9671 12.0394 12.0394 14.2244 14.2244 14.5942 14.5942 15.2268 15.2268 16.1977 16.1977 16.3282 16.3282 16.5511 16.5511 16.7749 16.7749 17.2230 17.2230 18.0842 18.0842 18.2749 18.2749 19.3866 19.3866 19.4308 19.4308 19.6002 19.6002 20.0376 20.0376 k = 0.1357 0.1357 0.1357 ( 4836 PWs) bands (ev): -39.7228 -39.7228 -16.3924 -16.3924 -15.7376 -15.7376 -15.7343 -15.7343 8.8311 8.8311 11.3013 11.3013 11.5217 11.5217 11.6281 11.6281 11.7943 11.7943 12.0097 12.0097 12.0912 12.0912 14.1943 14.1943 14.6053 14.6053 15.2349 15.2349 16.0638 16.0638 16.2038 16.2038 16.5138 16.5138 16.7466 16.7466 17.1437 17.1437 17.9935 17.9935 18.2517 18.2517 19.3336 19.3336 19.4017 19.4017 19.5613 19.5613 20.0325 20.0325 k = 0.1429 0.1429 0.1429 ( 4824 PWs) bands (ev): -39.7227 -39.7227 -16.3929 -16.3929 -15.7382 -15.7382 -15.7347 -15.7347 8.9015 8.9015 11.3440 11.3440 11.5500 11.5500 11.6652 11.6652 11.8285 11.8285 12.0550 12.0550 12.1460 12.1460 14.1629 14.1629 14.6162 14.6162 15.2411 15.2411 15.9271 15.9271 16.0787 16.0787 16.4792 16.4792 16.7222 16.7222 17.0618 17.0618 17.9001 17.9001 18.2345 18.2345 19.2803 19.2803 19.3660 19.3660 19.5293 19.5293 20.0269 20.0269 k = 0.1500 0.1500 0.1500 ( 4836 PWs) bands (ev): -39.7227 -39.7227 -16.3933 -16.3933 -15.7389 -15.7389 -15.7351 -15.7351 8.9743 8.9743 11.3876 11.3876 11.5786 11.5786 11.7023 11.7023 11.8644 11.8644 12.1031 12.1031 12.2037 12.2037 14.1305 14.1305 14.6266 14.6266 15.2437 15.2437 15.7898 15.7898 15.9570 15.9570 16.4451 16.4451 16.6999 16.6999 16.9780 16.9780 17.8073 17.8073 18.2203 18.2203 19.2272 19.2272 19.3242 19.3242 19.5041 19.5041 20.0209 20.0209 k = 0.1571 0.1571 0.1571 ( 4836 PWs) bands (ev): -39.7226 -39.7226 -16.3938 -16.3938 -15.7395 -15.7395 -15.7356 -15.7356 9.0493 9.0493 11.4320 11.4320 11.6074 11.6074 11.7392 11.7392 11.9021 11.9021 12.1540 12.1540 12.2641 12.2641 14.0973 14.0973 14.6363 14.6363 15.2401 15.2401 15.6533 15.6533 15.8422 15.8422 16.4110 16.4110 16.6788 16.6788 16.8927 16.8927 17.7165 17.7165 18.2080 18.2080 19.1746 19.1746 19.2781 19.2781 19.4843 19.4843 20.0147 20.0147 k = 0.1643 0.1643 0.1643 ( 4836 PWs) bands (ev): -39.7225 -39.7225 -16.3942 -16.3942 -15.7402 -15.7402 -15.7360 -15.7360 9.1263 9.1263 11.4767 11.4767 11.6363 11.6363 11.7757 11.7757 11.9418 11.9418 12.2075 12.2075 12.3271 12.3271 14.0638 14.0638 14.6451 14.6451 15.2260 15.2260 15.5187 15.5187 15.7391 15.7391 16.3766 16.3766 16.6581 16.6581 16.8063 16.8063 17.6285 17.6285 18.1969 18.1969 19.1232 19.1232 19.2295 19.2295 19.4681 19.4681 20.0083 20.0083 k = 0.1714 0.1714 0.1714 ( 4836 PWs) bands (ev): -39.7224 -39.7224 -16.3946 -16.3946 -15.7408 -15.7408 -15.7364 -15.7364 9.2049 9.2049 11.5215 11.5215 11.6651 11.6651 11.8115 11.8115 11.9835 11.9835 12.2636 12.2636 12.3925 12.3925 14.0302 14.0302 14.6526 14.6526 15.1955 15.1955 15.3871 15.3871 15.6538 15.6538 16.3418 16.3418 16.6376 16.6376 16.7192 16.7192 17.5437 17.5437 18.1866 18.1866 19.0733 19.0733 19.1802 19.1802 19.4544 19.4544 20.0018 20.0018 k = 0.1786 0.1786 0.1786 ( 4854 PWs) bands (ev): -39.7224 -39.7224 -16.3950 -16.3950 -15.7415 -15.7415 -15.7368 -15.7368 9.2851 9.2851 11.5661 11.5661 11.6936 11.6936 11.8465 11.8465 12.0276 12.0276 12.3220 12.3220 12.4601 12.4601 13.9969 13.9969 14.6581 14.6581 15.1436 15.1436 15.2597 15.2597 15.5918 15.5918 16.3066 16.3066 16.6168 16.6168 16.6319 16.6319 17.4625 17.4625 18.1772 18.1772 19.0254 19.0254 19.1310 19.1310 19.4423 19.4423 19.9951 19.9951 k = 0.1857 0.1857 0.1857 ( 4842 PWs) bands (ev): -39.7223 -39.7223 -16.3954 -16.3954 -15.7421 -15.7421 -15.7372 -15.7372 9.3663 9.3663 11.6100 11.6100 11.7215 11.7215 11.8804 11.8804 12.0740 12.0740 12.3825 12.3825 12.5299 12.5299 13.9645 13.9645 14.6606 14.6606 15.0703 15.0703 15.1381 15.1381 15.5530 15.5530 16.2710 16.2710 16.5448 16.5448 16.5957 16.5957 17.3853 17.3853 18.1683 18.1683 18.9799 18.9799 19.0828 19.0828 19.4314 19.4314 19.9883 19.9883 k = 0.1929 0.1929 0.1929 ( 4836 PWs) bands (ev): -39.7222 -39.7222 -16.3958 -16.3958 -15.7427 -15.7427 -15.7377 -15.7377 9.4484 9.4484 11.6529 11.6529 11.7485 11.7485 11.9129 11.9129 12.1229 12.1229 12.4449 12.4449 12.6014 12.6014 13.9333 13.9333 14.6575 14.6575 14.9818 14.9818 15.0255 15.0255 15.5316 15.5316 16.2349 16.2349 16.4587 16.4587 16.5739 16.5739 17.3123 17.3123 18.1599 18.1599 18.9371 18.9371 19.0363 19.0363 19.4214 19.4214 19.9815 19.9815 k = 0.2000 0.2000 0.2000 ( 4836 PWs) bands (ev): -39.7222 -39.7222 -16.3962 -16.3962 -15.7432 -15.7432 -15.7381 -15.7381 9.5308 9.5308 11.6943 11.6943 11.7745 11.7745 11.9437 11.9437 12.1744 12.1744 12.5089 12.5089 12.6745 12.6745 13.9039 13.9039 14.6438 14.6438 14.8851 14.8851 14.9276 14.9276 15.5206 15.5206 16.1980 16.1980 16.3742 16.3742 16.5515 16.5515 17.2437 17.2437 18.1521 18.1521 18.8974 18.8974 18.9917 18.9917 19.4120 19.4120 19.9746 19.9746 k = 0.2071 0.2071 0.2071 ( 4836 PWs) bands (ev): -39.7221 -39.7221 -16.3966 -16.3966 -15.7438 -15.7438 -15.7385 -15.7385 9.6134 9.6134 11.7340 11.7340 11.7990 11.7990 11.9725 11.9725 12.2285 12.2285 12.5740 12.5740 12.7488 12.7488 13.8770 13.8770 14.6102 14.6102 14.7856 14.7856 14.8543 14.8543 15.5148 15.5148 16.1596 16.1596 16.2927 16.2927 16.5281 16.5281 17.1798 17.1798 18.1447 18.1447 18.8611 18.8611 18.9497 18.9497 19.4032 19.4032 19.9677 19.9677 k = 0.2143 0.2143 0.2143 ( 4845 PWs) bands (ev): -39.7220 -39.7220 -16.3969 -16.3969 -15.7443 -15.7443 -15.7389 -15.7389 9.6955 9.6955 11.7713 11.7713 11.8218 11.8218 11.9988 11.9988 12.2852 12.2852 12.6398 12.6398 12.8241 12.8241 13.8532 13.8532 14.5512 14.5512 14.6869 14.6869 14.8120 14.8120 15.5109 15.5109 16.1175 16.1175 16.2172 16.2172 16.5039 16.5039 17.1206 17.1206 18.1377 18.1377 18.8285 18.8285 18.9103 18.9103 19.3948 19.3948 19.9608 19.9608 k = 0.2214 0.2214 0.2214 ( 4839 PWs) bands (ev): -39.7220 -39.7220 -16.3973 -16.3973 -15.7448 -15.7448 -15.7393 -15.7393 9.7770 9.7770 11.8059 11.8059 11.8425 11.8425 12.0223 12.0223 12.3443 12.3443 12.7057 12.7057 12.8999 12.8999 13.8331 13.8331 14.4753 14.4753 14.5916 14.5916 14.7931 14.7931 15.5066 15.5066 16.0669 16.0669 16.1530 16.1530 16.4787 16.4787 17.0664 17.0664 18.1311 18.1311 18.7997 18.7997 18.8740 18.8740 19.3869 19.3869 19.9539 19.9539 k = 0.2286 0.2286 0.2286 ( 4845 PWs) bands (ev): -39.7219 -39.7219 -16.3976 -16.3976 -15.7452 -15.7452 -15.7397 -15.7397 9.8572 9.8572 11.8370 11.8370 11.8612 11.8612 12.0424 12.0424 12.4057 12.4057 12.7711 12.7711 12.9757 12.9757 13.8174 13.8174 14.3951 14.3951 14.5017 14.5017 14.7862 14.7862 15.5001 15.5001 16.0052 16.0052 16.1038 16.1038 16.4525 16.4525 17.0173 17.0173 18.1249 18.1249 18.7749 18.7749 18.8410 18.8410 19.3792 19.3792 19.9470 19.9470 k = 0.2357 0.2357 0.2357 ( 4839 PWs) bands (ev): -39.7218 -39.7218 -16.3979 -16.3979 -15.7457 -15.7457 -15.7400 -15.7400 9.9357 9.9357 11.8627 11.8627 11.8786 11.8786 12.0586 12.0586 12.4692 12.4692 12.8351 12.8351 13.0511 13.0511 13.8066 13.8066 14.3181 14.3181 14.4191 14.4191 14.7850 14.7850 15.4900 15.4900 15.9377 15.9377 16.0653 16.0653 16.4253 16.4253 16.9732 16.9732 18.1191 18.1191 18.7542 18.7542 18.8114 18.8114 19.3719 19.3719 19.9402 19.9402 k = 0.2429 0.2429 0.2429 ( 4842 PWs) bands (ev): -39.7218 -39.7218 -16.3981 -16.3981 -15.7461 -15.7461 -15.7404 -15.7404 10.0122 10.0122 11.8793 11.8793 11.8977 11.8977 12.0703 12.0703 12.5344 12.5344 12.8968 12.8968 13.1256 13.1256 13.8009 13.8009 14.2487 14.2487 14.3459 14.3459 14.7868 14.7868 15.4749 15.4749 15.8705 15.8705 16.0328 16.0328 16.3972 16.3972 16.9344 16.9344 18.1137 18.1137 18.7377 18.7377 18.7854 18.7854 19.3648 19.3648 19.9334 19.9334 k = 0.2500 0.2500 0.2500 ( 4842 PWs) bands (ev): -39.7217 -39.7217 -16.3984 -16.3984 -15.7464 -15.7464 -15.7407 -15.7407 10.0862 10.0862 11.8878 11.8878 11.9164 11.9164 12.0769 12.0769 12.6010 12.6010 12.9551 12.9551 13.1984 13.1984 13.8001 13.8001 14.1895 14.1895 14.2846 14.2846 14.7903 14.7903 15.4536 15.4536 15.8069 15.8069 16.0041 16.0041 16.3683 16.3683 16.9008 16.9008 18.1086 18.1086 18.7253 18.7253 18.7631 18.7631 19.3580 19.3580 19.9267 19.9267 k = 0.2571 0.2571 0.2571 ( 4836 PWs) bands (ev): -39.7217 -39.7217 -16.3986 -16.3986 -15.7467 -15.7467 -15.7411 -15.7411 10.1573 10.1573 11.8905 11.8905 11.9317 11.9317 12.0776 12.0776 12.6687 12.6687 13.0090 13.0090 13.2690 13.2690 13.8035 13.8035 14.1427 14.1427 14.2379 14.2379 14.7952 14.7952 15.4251 15.4251 15.7488 15.7488 15.9785 15.9785 16.3387 16.3387 16.8724 16.8724 18.1038 18.1038 18.7170 18.7170 18.7446 18.7446 19.3515 19.3515 19.9200 19.9200 k = 0.2643 0.2643 0.2643 ( 4833 PWs) bands (ev): -39.7216 -39.7216 -16.3988 -16.3988 -15.7470 -15.7470 -15.7414 -15.7414 10.2251 10.2251 11.8877 11.8877 11.9423 11.9423 12.0722 12.0722 12.7370 12.7370 13.0572 13.0572 13.3365 13.3365 13.8102 13.8102 14.1100 14.1100 14.2089 14.2089 14.8012 14.8012 15.3892 15.3892 15.6970 15.6970 15.9559 15.9559 16.3086 16.3086 16.8492 16.8492 18.0993 18.0993 18.7126 18.7126 18.7298 18.7298 19.3452 19.3452 19.9135 19.9135 k = 0.2714 0.2714 0.2714 ( 4833 PWs) bands (ev): -39.7216 -39.7216 -16.3989 -16.3989 -15.7473 -15.7473 -15.7417 -15.7417 10.2894 10.2894 11.8795 11.8795 11.9479 11.9479 12.0600 12.0600 12.8055 12.8055 13.0991 13.0991 13.3997 13.3997 13.8200 13.8200 14.0924 14.0924 14.1998 14.1998 14.8084 14.8084 15.3467 15.3467 15.6514 15.6514 15.9359 15.9359 16.2783 16.2783 16.8312 16.8312 18.0950 18.0950 18.7119 18.7119 18.7188 18.7188 19.3392 19.3392 19.9070 19.9070 k = 0.2786 0.2786 0.2786 ( 4833 PWs) bands (ev): -39.7216 -39.7216 -16.3991 -16.3991 -15.7475 -15.7475 -15.7420 -15.7420 10.3498 10.3498 11.8655 11.8655 11.9481 11.9481 12.0409 12.0409 12.8737 12.8737 13.1342 13.1342 13.4565 13.4565 13.8354 13.8354 14.0900 14.0900 14.2105 14.2105 14.8171 14.8171 15.2993 15.2993 15.6111 15.6111 15.9185 15.9185 16.2479 16.2479 16.8181 16.8181 18.0909 18.0909 18.7114 18.7114 18.7146 18.7146 19.3334 19.3334 19.9007 19.9007 k = 0.2857 0.2857 0.2857 ( 4845 PWs) bands (ev): -39.7215 -39.7215 -16.3992 -16.3992 -15.7477 -15.7477 -15.7423 -15.7423 10.4061 10.4061 11.8459 11.8459 11.9431 11.9431 12.0151 12.0151 12.9411 12.9411 13.1631 13.1631 13.5045 13.5045 13.8612 13.8612 14.1019 14.1019 14.2387 14.2387 14.8275 14.8275 15.2494 15.2494 15.5747 15.5747 15.9037 15.9037 16.2179 16.2179 16.8100 16.8100 18.0869 18.0869 18.7075 18.7075 18.7205 18.7205 19.3279 19.3279 19.8945 19.8945 k = 0.2929 0.2929 0.2929 ( 4833 PWs) bands (ev): -39.7215 -39.7215 -16.3993 -16.3993 -15.7478 -15.7478 -15.7425 -15.7425 10.4584 10.4584 11.8207 11.8207 11.9330 11.9330 11.9827 11.9827 13.0070 13.0070 13.1866 13.1866 13.5418 13.5418 13.9026 13.9026 14.1263 14.1263 14.2802 14.2802 14.8400 14.8400 15.1992 15.1992 15.5412 15.5412 15.8912 15.8912 16.1885 16.1885 16.8068 16.8068 18.0831 18.0831 18.7069 18.7069 18.7293 18.7293 19.3226 19.3226 19.8884 19.8884 k = 0.3000 0.3000 0.3000 ( 4842 PWs) bands (ev): -39.7215 -39.7215 -16.3994 -16.3994 -15.7479 -15.7479 -15.7428 -15.7428 10.5064 10.5064 11.7901 11.7901 11.9182 11.9182 11.9443 11.9443 13.0707 13.0707 13.2059 13.2059 13.5700 13.5700 13.9618 13.9618 14.1607 14.1607 14.3301 14.3301 14.8551 14.8551 15.1511 15.1511 15.5101 15.5101 15.8811 15.8811 16.1601 16.1601 16.8082 16.8082 18.0793 18.0793 18.7094 18.7094 18.7405 18.7405 19.3176 19.3176 19.8825 19.8825 k = 0.3071 0.3071 0.3071 ( 4842 PWs) bands (ev): -39.7214 -39.7214 -16.3994 -16.3994 -15.7480 -15.7480 -15.7430 -15.7430 10.5501 10.5501 11.7548 11.7548 11.8990 11.8990 11.9007 11.9007 13.1312 13.1312 13.2223 13.2223 13.5931 13.5931 14.0371 14.0371 14.2022 14.2022 14.3839 14.3839 14.8735 14.8735 15.1075 15.1075 15.4810 15.4810 15.8734 15.8734 16.1333 16.1333 16.8141 16.8141 18.0756 18.0756 18.7146 18.7146 18.7537 18.7537 19.3129 19.3129 19.8768 19.8768 k = 0.3143 0.3143 0.3143 ( 4833 PWs) bands (ev): -39.7214 -39.7214 -16.3994 -16.3994 -15.7480 -15.7480 -15.7432 -15.7432 10.5898 10.5898 11.7151 11.7151 11.8526 11.8526 11.8761 11.8761 13.1873 13.1873 13.2370 13.2370 13.6160 13.6160 14.1252 14.1252 14.2478 14.2478 14.4368 14.4368 14.8958 14.8958 15.0709 15.0709 15.4542 15.4542 15.8683 15.8683 16.1084 16.1084 16.8243 16.8243 18.0719 18.0719 18.7222 18.7222 18.7685 18.7685 19.3086 19.3086 19.8713 19.8713 k = 0.3214 0.3214 0.3214 ( 4833 PWs) bands (ev): -39.7214 -39.7214 -16.3994 -16.3994 -15.7480 -15.7480 -15.7434 -15.7434 10.6254 10.6254 11.6718 11.6718 11.8010 11.8010 11.8500 11.8500 13.2379 13.2379 13.2505 13.2505 13.6427 13.6427 14.2230 14.2230 14.2949 14.2949 14.4839 14.4839 14.9226 14.9226 15.0445 15.0445 15.4302 15.4302 15.8664 15.8664 16.0860 16.0860 16.8387 16.8387 18.0682 18.0682 18.7317 18.7317 18.7844 18.7844 19.3046 19.3046 19.8660 19.8660 k = 0.3286 0.3286 0.3286 ( 4827 PWs) bands (ev): -39.7214 -39.7214 -16.3994 -16.3994 -15.7480 -15.7480 -15.7436 -15.7436 10.6572 10.6572 11.6255 11.6255 11.7467 11.7467 11.8212 11.8212 13.2634 13.2634 13.2819 13.2819 13.6755 13.6755 14.3276 14.3276 14.3411 14.3411 14.5210 14.5210 14.9545 14.9545 15.0311 15.0311 15.4099 15.4099 15.8682 15.8682 16.0668 16.0668 16.8570 16.8570 18.0646 18.0646 18.7426 18.7426 18.8008 18.8008 19.3010 19.3010 19.8609 19.8609 k = 0.3357 0.3357 0.3357 ( 4821 PWs) bands (ev): -39.7213 -39.7213 -16.3994 -16.3994 -15.7480 -15.7480 -15.7438 -15.7438 10.6853 10.6853 11.5769 11.5769 11.6906 11.6906 11.7903 11.7903 13.2760 13.2760 13.3188 13.3188 13.7154 13.7154 14.3843 14.3843 14.4339 14.4339 14.5472 14.5472 14.9917 14.9917 15.0326 15.0326 15.3945 15.3945 15.8748 15.8748 16.0516 16.0516 16.8791 16.8791 18.0610 18.0610 18.7544 18.7544 18.8172 18.8172 19.2978 19.2978 19.8561 19.8561 k = 0.3429 0.3429 0.3429 ( 4821 PWs) bands (ev): -39.7213 -39.7213 -16.3994 -16.3994 -15.7479 -15.7479 -15.7440 -15.7440 10.7100 10.7100 11.5268 11.5268 11.6335 11.6335 11.7579 11.7579 13.2882 13.2882 13.3490 13.3490 13.7621 13.7621 14.4234 14.4234 14.5139 14.5139 14.5872 14.5872 15.0339 15.0339 15.0479 15.0479 15.3854 15.3854 15.8872 15.8872 16.0412 16.0412 16.9048 16.9048 18.0574 18.0574 18.7665 18.7665 18.8331 18.8331 19.2952 19.2952 19.8516 19.8516 k = 0.3500 0.3500 0.3500 ( 4833 PWs) bands (ev): -39.7213 -39.7213 -16.3993 -16.3993 -15.7478 -15.7478 -15.7441 -15.7441 10.7315 10.7315 11.4757 11.4757 11.5760 11.5760 11.7244 11.7244 13.3000 13.3000 13.3733 13.3733 13.8143 13.8143 14.4575 14.4575 14.5252 14.5252 14.6823 14.6823 15.0744 15.0744 15.0801 15.0801 15.3838 15.3838 15.9072 15.9072 16.0366 16.0366 16.9338 16.9338 18.0538 18.0538 18.7784 18.7784 18.8476 18.8476 19.2932 19.2932 19.8474 19.8474 k = 0.3571 0.3571 0.3571 ( 4830 PWs) bands (ev): -39.7213 -39.7213 -16.3992 -16.3992 -15.7477 -15.7477 -15.7442 -15.7442 10.7500 10.7500 11.4243 11.4243 11.5186 11.5186 11.6902 11.6902 13.3114 13.3114 13.3927 13.3927 13.8705 13.8705 14.4866 14.4866 14.5139 14.5139 14.7826 14.7826 15.1131 15.1131 15.1289 15.1289 15.3897 15.3897 15.9362 15.9362 16.0391 16.0391 16.9660 16.9660 18.0503 18.0503 18.7892 18.7892 18.8602 18.8602 19.2918 19.2918 19.8437 19.8437 k = 0.3643 0.3643 0.3643 ( 4824 PWs) bands (ev): -39.7213 -39.7213 -16.3991 -16.3991 -15.7476 -15.7476 -15.7444 -15.7444 10.7659 10.7659 11.3730 11.3730 11.4620 11.4620 11.6559 11.6559 13.3223 13.3223 13.4081 13.4081 13.9291 13.9291 14.4958 14.4958 14.5109 14.5109 14.8633 14.8633 15.1723 15.1723 15.1783 15.1783 15.4016 15.4016 15.9758 15.9758 16.0498 16.0498 17.0012 17.0012 18.0468 18.0468 18.7983 18.7983 18.8701 18.8701 19.2912 19.2912 19.8404 19.8404 k = 0.3714 0.3714 0.3714 ( 4821 PWs) bands (ev): -39.7213 -39.7213 -16.3990 -16.3990 -15.7474 -15.7474 -15.7445 -15.7445 10.7793 10.7793 11.3224 11.3224 11.4066 11.4066 11.6217 11.6217 13.3325 13.3325 13.4201 13.4201 13.9889 13.9889 14.4754 14.4754 14.5309 14.5309 14.9124 14.9124 15.2261 15.2261 15.2609 15.2609 15.4166 15.4166 16.0266 16.0266 16.0701 16.0701 17.0391 17.0391 18.0433 18.0433 18.8050 18.8050 18.8764 18.8764 19.2913 19.2913 19.8376 19.8376 k = 0.3786 0.3786 0.3786 ( 4815 PWs) bands (ev): -39.7213 -39.7213 -16.3989 -16.3989 -15.7473 -15.7473 -15.7446 -15.7446 10.7904 10.7904 11.2729 11.2729 11.3527 11.3527 11.5879 11.5879 13.3421 13.3421 13.4293 13.4293 14.0487 14.0487 14.4549 14.4549 14.5473 14.5473 14.9340 14.9340 15.2704 15.2704 15.3744 15.3744 15.4321 15.4321 16.0885 16.0885 16.1009 16.1009 17.0795 17.0795 18.0398 18.0398 18.8086 18.8086 18.8783 18.8783 19.2922 19.2922 19.8354 19.8354 k = 0.3857 0.3857 0.3857 ( 4803 PWs) bands (ev): -39.7213 -39.7213 -16.3988 -16.3988 -15.7471 -15.7471 -15.7447 -15.7447 10.7995 10.7995 11.2249 11.2249 11.3007 11.3007 11.5549 11.5549 13.3510 13.3510 13.4360 13.4360 14.1075 14.1075 14.4355 14.4355 14.5605 14.5605 14.9391 14.9391 15.3098 15.3098 15.4441 15.4441 15.5048 15.5048 16.1428 16.1428 16.1605 16.1605 17.1222 17.1222 18.0364 18.0364 18.8085 18.8085 18.8750 18.8750 19.2937 19.2937 19.8339 19.8339 k = 0.3929 0.3929 0.3929 ( 4803 PWs) bands (ev): -39.7213 -39.7213 -16.3987 -16.3987 -15.7469 -15.7469 -15.7447 -15.7447 10.8067 10.8067 11.1788 11.1788 11.2509 11.2509 11.5230 11.5230 13.3590 13.3590 13.4404 13.4404 14.1641 14.1641 14.4185 14.4185 14.5711 14.5711 14.9357 14.9357 15.3435 15.3435 15.4553 15.4553 15.6412 15.6412 16.1957 16.1957 16.2408 16.2408 17.1670 17.1670 18.0330 18.0330 18.8039 18.8039 18.8656 18.8656 19.2956 19.2956 19.8330 19.8330 k = 0.4000 0.4000 0.4000 ( 4809 PWs) bands (ev): -39.7213 -39.7213 -16.3986 -16.3986 -15.7468 -15.7468 -15.7448 -15.7448 10.8124 10.8124 11.1348 11.1348 11.2034 11.2034 11.4922 11.4922 13.3664 13.3664 13.4428 13.4428 14.2173 14.2173 14.4046 14.4046 14.5794 14.5794 14.9280 14.9280 15.3714 15.3714 15.4636 15.4636 15.7820 15.7820 16.2589 16.2589 16.3274 16.3274 17.2137 17.2137 18.0297 18.0297 18.7944 18.7944 18.8495 18.8495 19.2977 19.2977 19.8330 19.8330 k = 0.4071 0.4071 0.4071 ( 4794 PWs) bands (ev): -39.7213 -39.7213 -16.3985 -16.3985 -15.7466 -15.7466 -15.7449 -15.7449 10.8165 10.8165 11.0932 11.0932 11.1585 11.1585 11.4629 11.4629 13.3729 13.3729 13.4435 13.4435 14.2649 14.2649 14.3958 14.3958 14.5858 14.5858 14.9184 14.9184 15.3942 15.3942 15.4698 15.4698 15.9246 15.9246 16.3310 16.3310 16.4184 16.4184 17.2620 17.2620 18.0265 18.0265 18.7795 18.7795 18.8260 18.8260 19.2994 19.2994 19.8337 19.8337 k = 0.4143 0.4143 0.4143 ( 4791 PWs) bands (ev): -39.7213 -39.7213 -16.3984 -16.3984 -15.7464 -15.7464 -15.7449 -15.7449 10.8192 10.8192 11.0544 11.0544 11.1164 11.1164 11.4352 11.4352 13.3787 13.3787 13.4426 13.4426 14.3020 14.3020 14.3963 14.3963 14.5906 14.5906 14.9084 14.9084 15.4125 15.4125 15.4742 15.4742 16.0672 16.0672 16.4107 16.4107 16.5120 16.5120 17.3116 17.3116 18.0233 18.0233 18.7589 18.7589 18.7949 18.7949 19.3004 19.3004 19.8351 19.8351 k = 0.4214 0.4214 0.4214 ( 4782 PWs) bands (ev): -39.7213 -39.7213 -16.3982 -16.3982 -15.7462 -15.7462 -15.7450 -15.7450 10.8205 10.8205 11.0185 11.0185 11.0772 11.0772 11.4093 11.4093 13.3838 13.3838 13.4405 13.4405 14.3215 14.3215 14.4127 14.4127 14.5941 14.5941 14.8990 14.8990 15.4273 15.4273 15.4773 15.4773 16.2087 16.2087 16.4963 16.4963 16.6065 16.6065 17.3621 17.3621 18.0204 18.0204 18.7324 18.7324 18.7559 18.7559 19.2998 19.2998 19.8372 19.8372 k = 0.4286 0.4286 0.4286 ( 4782 PWs) bands (ev): -39.7213 -39.7213 -16.3981 -16.3981 -15.7461 -15.7461 -15.7450 -15.7450 10.8206 10.8206 10.9860 10.9860 11.0411 11.0411 11.3853 11.3853 13.3882 13.3882 13.4373 13.4373 14.3261 14.3261 14.4415 14.4415 14.5965 14.5965 14.8908 14.8908 15.4393 15.4393 15.4796 15.4796 16.3480 16.3480 16.5862 16.5862 16.7002 16.7002 17.4131 17.4131 18.0178 18.0178 18.6999 18.6999 18.7094 18.7094 19.2972 19.2972 19.8399 19.8399 k = 0.4357 0.4357 0.4357 ( 4788 PWs) bands (ev): -39.7213 -39.7213 -16.3980 -16.3980 -15.7459 -15.7459 -15.7450 -15.7450 10.8193 10.8193 10.9572 10.9572 11.0081 11.0081 11.3632 11.3632 13.3920 13.3920 13.4335 13.4335 14.3249 14.3249 14.4732 14.4732 14.5981 14.5981 14.8845 14.8845 15.4492 15.4492 15.4812 15.4812 16.4839 16.4839 16.6791 16.6791 16.7917 16.7917 17.4640 17.4640 18.0158 18.0158 18.6559 18.6559 18.6615 18.6615 19.2920 19.2920 19.8430 19.8430 k = 0.4429 0.4429 0.4429 ( 4788 PWs) bands (ev): -39.7213 -39.7213 -16.3979 -16.3979 -15.7458 -15.7458 -15.7451 -15.7451 10.8165 10.8165 10.9324 10.9324 10.9783 10.9783 11.3433 11.3433 13.3952 13.3952 13.4292 13.4292 14.3222 14.3222 14.5026 14.5026 14.5989 14.5989 14.8802 14.8802 15.4575 15.4575 15.4823 15.4823 16.6155 16.6155 16.7735 16.7735 16.8795 16.8795 17.5139 17.5139 18.0150 18.0150 18.5965 18.5965 18.6174 18.6174 19.2837 19.2837 19.8463 19.8463 k = 0.4500 0.4500 0.4500 ( 4794 PWs) bands (ev): -39.7213 -39.7213 -16.3978 -16.3978 -15.7456 -15.7456 -15.7451 -15.7451 10.8120 10.8120 10.9119 10.9119 10.9519 10.9519 11.3256 11.3256 13.3979 13.3979 13.4247 13.4247 14.3196 14.3196 14.5281 14.5281 14.5992 14.5992 14.8780 14.8780 15.4643 15.4643 15.4832 15.4832 16.7414 16.7414 16.8680 16.8680 16.9620 16.9620 17.5615 17.5615 18.0159 18.0159 18.5322 18.5322 18.5682 18.5682 19.2722 19.2722 19.8495 19.8495 k = 0.4571 0.4571 0.4571 ( 4797 PWs) bands (ev): -39.7213 -39.7213 -16.3978 -16.3978 -15.7455 -15.7455 -15.7451 -15.7451 10.8060 10.8060 10.8959 10.8959 10.9289 10.9289 11.3101 11.3101 13.4001 13.4001 13.4204 13.4204 14.3173 14.3173 14.5492 14.5492 14.5991 14.5991 14.8778 14.8778 15.4701 15.4701 15.4838 15.4838 16.8601 16.8601 16.9610 16.9610 17.0379 17.0379 17.6051 17.6051 18.0197 18.0197 18.4647 18.4647 18.5145 18.5145 19.2577 19.2577 19.8526 19.8526 k = 0.4643 0.4643 0.4643 ( 4788 PWs) bands (ev): -39.7213 -39.7213 -16.3977 -16.3977 -15.7454 -15.7454 -15.7451 -15.7451 10.7989 10.7989 10.8841 10.8841 10.9093 10.9093 11.2969 11.2969 13.4019 13.4019 13.4163 13.4163 14.3154 14.3154 14.5658 14.5658 14.5988 14.5988 14.8793 14.8793 15.4749 15.4749 15.4844 15.4844 16.9693 16.9693 17.0507 17.0507 17.1065 17.1065 17.6424 17.6424 18.0280 18.0280 18.3962 18.3962 18.4575 18.4575 19.2409 19.2409 19.8554 19.8554 k = 0.4714 0.4714 0.4714 ( 4782 PWs) bands (ev): -39.7213 -39.7213 -16.3976 -16.3976 -15.7453 -15.7453 -15.7451 -15.7451 10.7915 10.7915 10.8759 10.8759 10.8933 10.8933 11.2861 11.2861 13.4033 13.4033 13.4127 13.4127 14.3141 14.3141 14.5782 14.5782 14.5984 14.5984 14.8819 14.8819 15.4787 15.4787 15.4848 15.4848 17.0656 17.0656 17.1345 17.1345 17.1676 17.1676 17.6710 17.6710 18.0424 18.0424 18.3293 18.3293 18.3985 18.3985 19.2232 19.2232 19.8578 19.8578 k = 0.4786 0.4786 0.4786 ( 4776 PWs) bands (ev): -39.7213 -39.7213 -16.3976 -16.3976 -15.7452 -15.7452 -15.7451 -15.7451 10.7847 10.7847 10.8705 10.8705 10.8807 10.8807 11.2777 11.2777 13.4044 13.4044 13.4097 13.4097 14.3131 14.3131 14.5871 14.5871 14.5980 14.5980 14.8848 14.8848 15.4817 15.4817 15.4851 15.4851 17.1432 17.1432 17.2088 17.2088 17.2226 17.2226 17.6895 17.6895 18.0645 18.0645 18.2678 18.2678 18.3391 18.3391 19.2063 19.2063 19.8596 19.8597 k = 0.4857 0.4857 0.4857 ( 4776 PWs) bands (ev): -39.7213 -39.7213 -16.3975 -16.3975 -15.7452 -15.7452 -15.7451 -15.7451 10.7793 10.7793 10.8670 10.8670 10.8717 10.8717 11.2716 11.2716 13.4051 13.4051 13.4075 13.4075 14.3124 14.3124 14.5930 14.5930 14.5977 14.5977 14.8874 14.8874 15.4838 15.4838 15.4853 15.4853 17.1961 17.1961 17.2690 17.2690 17.2722 17.2722 17.6984 17.6984 18.0944 18.0944 18.2167 18.2167 18.2813 18.2813 19.1922 19.1922 19.8610 19.8610 k = 0.4929 0.4929 0.4929 ( 4776 PWs) bands (ev): -39.7213 -39.7213 -16.3975 -16.3975 -15.7452 -15.7452 -15.7452 -15.7452 10.7758 10.7758 10.8652 10.8652 10.8664 10.8664 11.2680 11.2680 13.4056 13.4056 13.4062 13.4062 14.3120 14.3120 14.5963 14.5963 14.5974 14.5974 14.8893 14.8893 15.4851 15.4851 15.4855 15.4855 17.2250 17.2250 17.3089 17.3089 17.3092 17.3092 17.7008 17.7008 18.1318 18.1318 18.1821 18.1821 18.2269 18.2269 19.1828 19.1828 19.8617 19.8617 k = 0.5000 0.5000 0.5000 ( 4776 PWs) bands (ev): -39.7213 -39.7213 -16.3975 -16.3975 -15.7452 -15.7452 -15.7452 -15.7452 10.7747 10.7747 10.8646 10.8646 10.8646 10.8646 11.2668 11.2668 13.4057 13.4057 13.4057 13.4057 14.3119 14.3119 14.5973 14.5973 14.5973 14.5973 14.8899 14.8899 15.4855 15.4855 15.4855 15.4855 17.2341 17.2341 17.3230 17.3230 17.3230 17.3230 17.7008 17.7008 18.1698 18.1698 18.1698 18.1698 18.1832 18.1832 19.1795 19.1795 19.8620 19.8620 k = 0.5000 0.5000 0.5000 ( 4776 PWs) bands (ev): -39.7213 -39.7213 -16.3975 -16.3975 -15.7452 -15.7452 -15.7452 -15.7452 10.7747 10.7747 10.8646 10.8646 10.8646 10.8646 11.2668 11.2668 13.4057 13.4057 13.4057 13.4057 14.3119 14.3119 14.5973 14.5973 14.5973 14.5973 14.8899 14.8899 15.4855 15.4855 15.4855 15.4855 17.2341 17.2341 17.3230 17.3230 17.3230 17.3230 17.7008 17.7008 18.1698 18.1698 18.1698 18.1698 18.1832 18.1832 19.1795 19.1795 19.8620 19.8620 k = 0.4914 0.5000 0.4914 ( 4776 PWs) bands (ev): -39.7213 -39.7213 -16.3975 -16.3975 -15.7452 -15.7452 -15.7451 -15.7451 10.7758 10.7758 10.8652 10.8652 10.8662 10.8662 11.2679 11.2679 13.4056 13.4056 13.4061 13.4061 14.3120 14.3120 14.5963 14.5963 14.5974 14.5974 14.8893 14.8893 15.4849 15.4849 15.4858 15.4858 17.2253 17.2253 17.3094 17.3094 17.3095 17.3095 17.7008 17.7008 18.1321 18.1321 18.1821 18.1821 18.2261 18.2261 19.1827 19.1827 19.8618 19.8620 k = 0.4828 0.5000 0.4828 ( 4776 PWs) bands (ev): -39.7213 -39.7213 -16.3975 -16.3975 -15.7452 -15.7452 -15.7451 -15.7451 10.7792 10.7792 10.8672 10.8672 10.8713 10.8713 11.2715 11.2715 13.4052 13.4052 13.4074 13.4074 14.3124 14.3124 14.5931 14.5931 14.5976 14.5976 14.8875 14.8875 15.4828 15.4828 15.4864 15.4864 17.1977 17.1977 17.2711 17.2711 17.2726 17.2726 17.6984 17.6984 18.0944 18.0944 18.2165 18.2165 18.2797 18.2797 19.1918 19.1918 19.8613 19.8620 k = 0.4741 0.5000 0.4741 ( 4776 PWs) bands (ev): -39.7213 -39.7213 -16.3976 -16.3976 -15.7452 -15.7452 -15.7451 -15.7451 10.7846 10.7846 10.8706 10.8706 10.8798 10.8798 11.2773 11.2773 13.4046 13.4046 13.4094 13.4094 14.3130 14.3130 14.5877 14.5877 14.5979 14.5979 14.8848 14.8848 15.4794 15.4794 15.4875 15.4875 17.1473 17.1473 17.2135 17.2135 17.2229 17.2229 17.6893 17.6893 18.0628 18.0628 18.2676 18.2676 18.3372 18.3372 19.2055 19.2055 19.8598 19.8598 k = 0.4655 0.5000 0.4655 ( 4784 PWs) bands (ev): -39.7213 -39.7213 -16.3976 -16.3976 -15.7453 -15.7453 -15.7451 -15.7451 10.7917 10.7917 10.8755 10.8755 10.8919 10.8919 11.2856 11.2856 13.4037 13.4037 13.4122 13.4122 14.3139 14.3139 14.5796 14.5796 14.5982 14.5982 14.8815 14.8815 15.4747 15.4747 15.4890 15.4890 17.0717 17.0717 17.1422 17.1422 17.1698 17.1698 17.6695 17.6695 18.0379 18.0379 18.3295 18.3295 18.3973 18.3973 19.2219 19.2219 19.8574 19.8574 k = 0.4569 0.5000 0.4569 ( 4800 PWs) bands (ev): -39.7213 -39.7213 -16.3977 -16.3977 -15.7454 -15.7454 -15.7451 -15.7451 10.8002 10.8002 10.8820 10.8820 10.9078 10.9078 11.2961 11.2961 13.4026 13.4026 13.4156 13.4156 14.3152 14.3152 14.5687 14.5687 14.5983 14.5983 14.8782 14.8782 15.4686 15.4686 15.4909 15.4909 16.9760 16.9760 17.0617 17.0617 17.1145 17.1145 17.6375 17.6375 18.0192 18.0192 18.3974 18.3974 18.4583 18.4583 19.2390 19.2390 19.8536 19.8536 k = 0.4483 0.5000 0.4483 ( 4796 PWs) bands (ev): -39.7213 -39.7213 -16.3977 -16.3977 -15.7455 -15.7455 -15.7451 -15.7451 10.8096 10.8096 10.8904 10.8904 10.9276 10.9276 11.3089 11.3089 13.4011 13.4011 13.4194 13.4194 14.3169 14.3169 14.5546 14.5546 14.5980 14.5980 14.8754 14.8754 15.4612 15.4612 15.4932 15.4932 16.8663 16.8663 16.9751 16.9751 17.0560 17.0560 17.5938 17.5938 18.0056 18.0056 18.4680 18.4680 18.5188 18.5188 19.2551 19.2551 19.8483 19.8483 k = 0.4397 0.5000 0.4397 ( 4792 PWs) bands (ev): -39.7213 -39.7213 -16.3978 -16.3978 -15.7456 -15.7456 -15.7451 -15.7451 10.8194 10.8194 10.9008 10.9008 10.9514 10.9514 11.3240 11.3240 13.3993 13.3993 13.4235 13.4235 14.3190 14.3190 14.5371 14.5371 14.5972 14.5972 14.8736 14.8736 15.4525 15.4525 15.4958 15.4958 16.7464 16.7464 16.8849 16.8849 16.9944 16.9944 17.5402 17.5402 17.9953 17.9953 18.5387 18.5387 18.5774 18.5774 19.2689 19.2689 19.8414 19.8414 k = 0.4310 0.5000 0.4310 ( 4792 PWs) bands (ev): -39.7213 -39.7213 -16.3979 -16.3979 -15.7458 -15.7458 -15.7450 -15.7450 10.8293 10.8293 10.9133 10.9133 10.9792 10.9792 11.3414 11.3414 13.3970 13.3970 13.4276 13.4276 14.3217 14.3217 14.5161 14.5161 14.5957 14.5957 14.8731 14.8731 15.4424 15.4424 15.4985 15.4985 16.6189 16.6189 16.7928 16.7928 16.9305 16.9305 17.4786 17.4786 17.9869 17.9869 18.6076 18.6076 18.6330 18.6330 19.2794 19.2794 19.8329 19.8329 k = 0.4224 0.5000 0.4224 ( 4788 PWs) bands (ev): -39.7213 -39.7213 -16.3980 -16.3980 -15.7459 -15.7459 -15.7450 -15.7450 10.8391 10.8391 10.9282 10.9282 11.0110 11.0110 11.3610 11.3610 13.3944 13.3944 13.4315 13.4315 14.3249 14.3249 14.4916 14.4916 14.5932 14.5932 14.8741 14.8741 15.4309 15.4309 15.5013 15.5013 16.4856 16.4856 16.7002 16.7002 16.8653 16.8653 17.4110 17.4110 17.9795 17.9795 18.6727 18.6727 18.6853 18.6853 19.2864 19.2864 19.8228 19.8228 k = 0.4138 0.5000 0.4138 ( 4784 PWs) bands (ev): -39.7213 -39.7213 -16.3981 -16.3981 -15.7461 -15.7461 -15.7450 -15.7450 10.8487 10.8487 10.9453 10.9453 11.0467 11.0467 11.3827 11.3827 13.3912 13.3912 13.4349 13.4349 14.3287 14.3287 14.4641 14.4641 14.5896 14.5896 14.8767 14.8767 15.4179 15.4179 15.5040 15.5040 16.3481 16.3481 16.6082 16.6082 16.7994 16.7994 17.3390 17.3390 17.9723 17.9723 18.7278 18.7278 18.7389 18.7389 19.2898 19.2898 19.8112 19.8112 k = 0.4052 0.5000 0.4052 ( 4780 PWs) bands (ev): -39.7213 -39.7213 -16.3982 -16.3982 -15.7463 -15.7463 -15.7449 -15.7449 10.8579 10.8579 10.9646 10.9646 11.0862 11.0862 11.4065 11.4065 13.3874 13.3874 13.4375 13.4375 14.3327 14.3327 14.4342 14.4342 14.5847 14.5847 14.8804 14.8804 15.4033 15.4033 15.5062 15.5062 16.2079 16.2079 16.5177 16.5177 16.7336 16.7336 17.2641 17.2641 17.9649 17.9649 18.7708 18.7708 18.7949 18.7949 19.2898 19.2898 19.7981 19.7981 k = 0.3966 0.5000 0.3966 ( 4786 PWs) bands (ev): -39.7213 -39.7213 -16.3984 -16.3984 -15.7465 -15.7465 -15.7449 -15.7449 10.8669 10.8669 10.9859 10.9859 11.1294 11.1294 11.4325 11.4325 13.3829 13.3829 13.4389 13.4389 14.3357 14.3357 14.4038 14.4038 14.5786 14.5786 14.8848 14.8848 15.3870 15.3870 15.5075 15.5075 16.0665 16.0665 16.4296 16.4296 16.6683 16.6683 17.1878 17.1878 17.9572 17.9572 18.8077 18.8077 18.8466 18.8466 19.2866 19.2866 19.7836 19.7836 k = 0.3879 0.5000 0.3879 ( 4798 PWs) bands (ev): -39.7213 -39.7213 -16.3985 -16.3985 -15.7467 -15.7467 -15.7448 -15.7448 10.8757 10.8757 11.0090 11.0090 11.1761 11.1761 11.4604 11.4604 13.3777 13.3777 13.4388 13.4388 14.3322 14.3322 14.3789 14.3789 14.5711 14.5711 14.8888 14.8888 15.3687 15.3687 15.5077 15.5077 15.9254 15.9254 16.3449 16.3449 16.6039 16.6039 17.1114 17.1114 17.9489 17.9489 18.8394 18.8394 18.8929 18.8929 19.2806 19.2806 19.7677 19.7677 k = 0.3793 0.5000 0.3793 ( 4798 PWs) bands (ev): -39.7213 -39.7213 -16.3986 -16.3986 -15.7469 -15.7469 -15.7447 -15.7447 10.8842 10.8842 11.0339 11.0339 11.2261 11.2261 11.4902 11.4902 13.3713 13.3713 13.4369 13.4369 14.3108 14.3108 14.3711 14.3711 14.5626 14.5626 14.8911 14.8911 15.3483 15.3483 15.5061 15.5061 15.7870 15.7870 16.2641 16.2641 16.5407 16.5407 17.0363 17.0363 17.9400 17.9400 18.8662 18.8662 18.9336 18.9336 19.2720 19.2720 19.7507 19.7507 k = 0.3707 0.5000 0.3707 ( 4798 PWs) bands (ev): -39.7213 -39.7213 -16.3987 -16.3987 -15.7471 -15.7471 -15.7446 -15.7446 10.8926 10.8926 11.0602 11.0602 11.2793 11.2793 11.5219 11.5219 13.3638 13.3638 13.4328 13.4328 14.2776 14.2776 14.3743 14.3743 14.5534 14.5534 14.8893 14.8893 15.3251 15.3251 15.5018 15.5018 15.6549 15.6549 16.1881 16.1881 16.4787 16.4787 16.9641 16.9641 17.9306 17.9306 18.8883 18.8883 18.9687 18.9687 19.2613 19.2613 19.7325 19.7325 k = 0.3621 0.5000 0.3621 ( 4802 PWs) bands (ev): -39.7213 -39.7213 -16.3989 -16.3989 -15.7473 -15.7473 -15.7446 -15.7446 10.9006 10.9006 11.0879 11.0879 11.3355 11.3355 11.5554 11.5554 13.3546 13.3546 13.4265 13.4265 14.2413 14.2413 14.3794 14.3794 14.5444 14.5444 14.8800 14.8800 15.2978 15.2978 15.4886 15.4886 15.5399 15.5399 16.1175 16.1175 16.4181 16.4181 16.8962 16.8962 17.9206 17.9206 18.9060 18.9060 18.9985 18.9985 19.2487 19.2487 19.7133 19.7133 k = 0.3534 0.5000 0.3534 ( 4806 PWs) bands (ev): -39.7213 -39.7213 -16.3990 -16.3990 -15.7476 -15.7476 -15.7445 -15.7445 10.9084 10.9084 11.1167 11.1167 11.3945 11.3945 11.5906 11.5906 13.3434 13.3434 13.4180 13.4180 14.2045 14.2045 14.3823 14.3823 14.5374 14.5374 14.8578 14.8578 15.2624 15.2624 15.4206 15.4206 15.4975 15.4975 16.0525 16.0525 16.3586 16.3586 16.8342 16.8342 17.9100 17.9100 18.9196 18.9196 19.0233 19.0233 19.2347 19.2347 19.6931 19.6931 k = 0.3448 0.5000 0.3448 ( 4806 PWs) bands (ev): -39.7213 -39.7213 -16.3991 -16.3991 -15.7478 -15.7478 -15.7443 -15.7443 10.9157 10.9157 11.1466 11.1466 11.4561 11.4561 11.6273 11.6273 13.3295 13.3295 13.4075 13.4075 14.1682 14.1682 14.3793 14.3793 14.5343 14.5343 14.8167 14.8167 15.2123 15.2123 15.3551 15.3551 15.4840 15.4840 15.9934 15.9934 16.3002 16.3002 16.7794 16.7794 17.8989 17.8989 18.9292 18.9292 19.0435 19.0435 19.2196 19.2196 19.6720 19.6720 k = 0.3362 0.5000 0.3362 ( 4818 PWs) bands (ev): -39.7213 -39.7213 -16.3992 -16.3992 -15.7480 -15.7480 -15.7442 -15.7442 10.9226 10.9226 11.1773 11.1773 11.5201 11.5201 11.6656 11.6656 13.3122 13.3122 13.3956 13.3956 14.1332 14.1332 14.3669 14.3669 14.5369 14.5369 14.7529 14.7529 15.1523 15.1523 15.3220 15.3220 15.4701 15.4701 15.9401 15.9401 16.2428 16.2428 16.7331 16.7331 17.8873 17.8873 18.9351 18.9351 19.0594 19.0594 19.2040 19.2040 19.6501 19.6501 k = 0.3276 0.5000 0.3276 ( 4818 PWs) bands (ev): -39.7213 -39.7213 -16.3994 -16.3994 -15.7482 -15.7482 -15.7441 -15.7441 10.9289 10.9289 11.2088 11.2088 11.5864 11.5864 11.7052 11.7052 13.2908 13.2908 13.3827 13.3827 14.0998 14.0998 14.3424 14.3424 14.5446 14.5446 14.6703 14.6703 15.0956 15.0956 15.3097 15.3097 15.4544 15.4544 15.8921 15.8921 16.1863 16.1863 16.6960 16.6960 17.8753 17.8753 18.9374 18.9374 19.0712 19.0712 19.1885 19.1885 19.6274 19.6274 k = 0.3190 0.5000 0.3190 ( 4814 PWs) bands (ev): -39.7213 -39.7213 -16.3995 -16.3995 -15.7485 -15.7485 -15.7439 -15.7439 10.9346 10.9346 11.2407 11.2407 11.6546 11.6546 11.7461 11.7461 13.2650 13.2650 13.3693 13.3693 14.0683 14.0683 14.3030 14.3030 14.5532 14.5532 14.5809 14.5809 15.0462 15.0462 15.3091 15.3091 15.4373 15.4373 15.8491 15.8491 16.1313 16.1313 16.6682 16.6682 17.8630 17.8630 18.9363 18.9363 19.0788 19.0788 19.1742 19.1742 19.6041 19.6041 k = 0.3103 0.5000 0.3103 ( 4820 PWs) bands (ev): -39.7213 -39.7213 -16.3996 -16.3996 -15.7487 -15.7487 -15.7438 -15.7438 10.9394 10.9394 11.2730 11.2730 11.7247 11.7247 11.7881 11.7881 13.2346 13.2346 13.3557 13.3557 14.0389 14.0389 14.2444 14.2444 14.4903 14.4903 14.5660 14.5660 15.0044 15.0044 15.3149 15.3149 15.4205 15.4205 15.8103 15.8103 16.0784 16.0784 16.6493 16.6493 17.8505 17.8505 18.9320 18.9320 19.0814 19.0814 19.1624 19.1624 19.5801 19.5801 k = 0.3017 0.5000 0.3017 ( 4810 PWs) bands (ev): -39.7213 -39.7213 -16.3997 -16.3997 -15.7489 -15.7489 -15.7436 -15.7436 10.9432 10.9432 11.3054 11.3054 11.7962 11.7962 11.8311 11.8311 13.1999 13.1999 13.3418 13.3418 14.0116 14.0116 14.1635 14.1635 14.4171 14.4171 14.5690 14.5690 14.9718 14.9718 15.3215 15.3215 15.4076 15.4076 15.7749 15.7749 16.0287 16.0287 16.6383 16.6383 17.8378 17.8378 18.9246 18.9246 19.0785 19.0785 19.1546 19.1546 19.5556 19.5556 k = 0.2931 0.5000 0.2931 ( 4822 PWs) bands (ev): -39.7213 -39.7213 -16.3998 -16.3998 -15.7491 -15.7491 -15.7434 -15.7434 10.9459 10.9459 11.3378 11.3378 11.8689 11.8689 11.8751 11.8751 13.1615 13.1615 13.3274 13.3274 13.9862 13.9862 14.0643 14.0643 14.3572 14.3572 14.5621 14.5621 14.9509 14.9509 15.3216 15.3216 15.4050 15.4050 15.7418 15.7418 15.9840 15.9840 16.6341 16.6341 17.8251 17.8251 18.9144 18.9144 19.0703 19.0703 19.1512 19.1512 19.5305 19.5305 k = 0.2845 0.5000 0.2845 ( 4822 PWs) bands (ev): -39.7213 -39.7213 -16.3998 -16.3998 -15.7493 -15.7493 -15.7432 -15.7432 10.9474 10.9474 11.3698 11.3698 11.9194 11.9194 11.9432 11.9432 13.1200 13.1200 13.3125 13.3125 13.9476 13.9476 13.9695 13.9695 14.3055 14.3055 14.5422 14.5422 14.9427 14.9427 15.3130 15.3130 15.4154 15.4154 15.7099 15.7099 15.9458 15.9458 16.6352 16.6352 17.8124 17.8124 18.9016 18.9016 19.0587 19.0587 19.1510 19.1510 19.5049 19.5049 k = 0.2759 0.5000 0.2759 ( 4822 PWs) bands (ev): -39.7213 -39.7213 -16.3999 -16.3999 -15.7495 -15.7495 -15.7430 -15.7430 10.9475 10.9475 11.4013 11.4013 11.9645 11.9645 12.0180 12.0180 13.0761 13.0761 13.2969 13.2969 13.8370 13.8370 13.9444 13.9444 14.2575 14.2575 14.5100 14.5100 14.9444 14.9444 15.3019 15.3019 15.4332 15.4332 15.6783 15.6783 15.9159 15.9159 16.6403 16.6403 17.8000 17.8000 18.8865 18.8865 19.0455 19.0455 19.1526 19.1526 19.4788 19.4788 k = 0.2672 0.5000 0.2672 ( 4818 PWs) bands (ev): -39.7213 -39.7213 -16.4000 -16.4000 -15.7496 -15.7496 -15.7427 -15.7427 10.9459 10.9459 11.4320 11.4320 12.0100 12.0100 12.0933 12.0933 13.0303 13.0303 13.2804 13.2804 13.7218 13.7218 13.9251 13.9251 14.2111 14.2111 14.4684 14.4684 14.9504 14.9504 15.2955 15.2955 15.4529 15.4529 15.6473 15.6473 15.8952 15.8952 16.6480 16.6480 17.7879 17.7879 18.8694 18.8694 19.0322 19.0322 19.1551 19.1551 19.4523 19.4523 k = 0.2586 0.5000 0.2586 ( 4818 PWs) bands (ev): -39.7213 -39.7213 -16.4000 -16.4000 -15.7498 -15.7498 -15.7425 -15.7425 10.9426 10.9426 11.4616 11.4616 12.0557 12.0557 12.1690 12.1690 12.9833 12.9833 13.2630 13.2630 13.6079 13.6079 13.9076 13.9076 14.1653 14.1653 14.4207 14.4207 14.9542 14.9542 15.2991 15.2991 15.4690 15.4690 15.6198 15.6198 15.8839 15.8839 16.6570 16.6570 17.7764 17.7764 18.8503 18.8503 19.0199 19.0199 19.1580 19.1580 19.4254 19.4254 k = 0.2500 0.5000 0.2500 ( 4826 PWs) bands (ev): -39.7214 -39.7214 -16.4001 -16.4001 -15.7500 -15.7500 -15.7422 -15.7422 10.9374 10.9374 11.4898 11.4898 12.1013 12.1013 12.2446 12.2446 12.9357 12.9357 13.2447 13.2447 13.4969 13.4969 13.8917 13.8917 14.1203 14.1203 14.3694 14.3694 14.9515 14.9515 15.3153 15.3153 15.4743 15.4743 15.6024 15.6024 15.8817 15.8817 16.6663 16.6663 17.7655 17.7655 18.8296 18.8296 19.0091 19.0091 19.1609 19.1609 19.3981 19.3981 k = 0.2414 0.5000 0.2414 ( 4814 PWs) bands (ev): -39.7214 -39.7214 -16.4001 -16.4001 -15.7501 -15.7501 -15.7419 -15.7419 10.9302 10.9302 11.5165 11.5165 12.1467 12.1467 12.3198 12.3198 12.8882 12.8882 13.2254 13.2254 13.3896 13.3896 13.8769 13.8769 14.0762 14.0762 14.3165 14.3165 14.9412 14.9412 15.3437 15.3437 15.4629 15.4629 15.6014 15.6014 15.8878 15.8878 16.6748 16.6748 17.7555 17.7555 18.8073 18.8073 19.0002 19.0002 19.1638 19.1638 19.3705 19.3705 k = 0.2328 0.5000 0.2328 ( 4814 PWs) bands (ev): -39.7214 -39.7214 -16.4001 -16.4001 -15.7503 -15.7503 -15.7416 -15.7416 10.9207 10.9207 11.5412 11.5412 12.1914 12.1914 12.3942 12.3942 12.8417 12.8417 13.2049 13.2049 13.2870 13.2870 13.8629 13.8629 14.0339 14.0339 14.2630 14.2630 14.9244 14.9244 15.3797 15.3797 15.4406 15.4406 15.6132 15.6132 15.9018 15.9018 16.6816 16.6816 17.7467 17.7467 18.7838 18.7838 18.9934 18.9934 19.1665 19.1665 19.3426 19.3426 k = 0.2241 0.5000 0.2241 ( 4818 PWs) bands (ev): -39.7214 -39.7214 -16.4001 -16.4001 -15.7504 -15.7504 -15.7413 -15.7413 10.9090 10.9090 11.5637 11.5637 12.2350 12.2350 12.4669 12.4669 12.7973 12.7973 13.1763 13.1763 13.1967 13.1967 13.8489 13.8489 13.9943 13.9943 14.2099 14.2099 14.9032 14.9032 15.3946 15.3946 15.4405 15.4405 15.6304 15.6304 15.9232 15.9232 16.6861 16.6861 17.7391 17.7391 18.7591 18.7591 18.9888 18.9888 19.1689 19.1689 19.3147 19.3147 k = 0.2155 0.5000 0.2155 ( 4830 PWs) bands (ev): -39.7214 -39.7214 -16.4001 -16.4001 -15.7506 -15.7506 -15.7410 -15.7410 10.8948 10.8948 11.5837 11.5837 12.2768 12.2768 12.5360 12.5360 12.7575 12.7575 13.0929 13.0929 13.1661 13.1661 13.8339 13.8339 13.9587 13.9587 14.1579 14.1579 14.8794 14.8794 15.3680 15.3680 15.4842 15.4842 15.6494 15.6494 15.9513 15.9513 16.6878 16.6878 17.7332 17.7332 18.7335 18.7335 18.9861 18.9861 19.1708 19.1708 19.2868 19.2868 k = 0.2069 0.5000 0.2069 ( 4826 PWs) bands (ev): -39.7214 -39.7214 -16.4001 -16.4001 -15.7507 -15.7507 -15.7407 -15.7407 10.8783 10.8783 11.6010 11.6010 12.3156 12.3156 12.5954 12.5954 12.7292 12.7292 13.0061 13.0061 13.1444 13.1444 13.8167 13.8167 13.9284 13.9284 14.1078 14.1078 14.8542 14.8542 15.3375 15.3375 15.5334 15.5334 15.6689 15.6689 15.9858 15.9858 16.6864 16.6864 17.7291 17.7291 18.7071 18.7071 18.9848 18.9848 19.1719 19.1719 19.2594 19.2594 k = 0.1983 0.5000 0.1983 ( 4828 PWs) bands (ev): -39.7215 -39.7215 -16.4001 -16.4001 -15.7508 -15.7508 -15.7403 -15.7403 10.8592 10.8592 11.6154 11.6154 12.3493 12.3493 12.6242 12.6242 12.7346 12.7346 12.9249 12.9249 13.1236 13.1236 13.7959 13.7959 13.9045 13.9045 14.0602 14.0602 14.8284 14.8284 15.3083 15.3083 15.5814 15.5814 15.6890 15.6890 16.0260 16.0260 16.6817 16.6817 17.7272 17.7272 18.6802 18.6802 18.9844 18.9844 19.1716 19.1716 19.2332 19.2332 k = 0.1897 0.5000 0.1897 ( 4824 PWs) bands (ev): -39.7215 -39.7215 -16.4000 -16.4000 -15.7509 -15.7509 -15.7400 -15.7400 10.8378 10.8378 11.6267 11.6267 12.3743 12.3743 12.6194 12.6194 12.7770 12.7770 12.8525 12.8525 13.1043 13.1043 13.7715 13.7715 13.8866 13.8866 14.0163 14.0163 14.8023 14.8023 15.2815 15.2815 15.6250 15.6250 15.7108 15.7108 16.0710 16.0710 16.6739 16.6739 17.7277 17.7277 18.6529 18.6529 18.9838 18.9838 19.1681 19.1681 19.2105 19.2105 k = 0.1810 0.5000 0.1810 ( 4826 PWs) bands (ev): -39.7215 -39.7215 -16.4000 -16.4000 -15.7510 -15.7510 -15.7396 -15.7396 10.8142 10.8142 11.6348 11.6348 12.3855 12.3855 12.6138 12.6138 12.7699 12.7699 12.8457 12.8457 13.0882 13.0882 13.7444 13.7444 13.8722 13.8722 13.9778 13.9778 14.7763 14.7763 15.2578 15.2578 15.6612 15.6612 15.7360 15.7360 16.1198 16.1198 16.6635 16.6635 17.7310 17.7310 18.6254 18.6254 18.9818 18.9818 19.1575 19.1575 19.1957 19.1957 k = 0.1724 0.5000 0.1724 ( 4832 PWs) bands (ev): -39.7215 -39.7215 -16.3999 -16.3999 -15.7511 -15.7511 -15.7392 -15.7392 10.7884 10.7884 11.6397 11.6397 12.3804 12.3804 12.6204 12.6204 12.7097 12.7097 12.8941 12.8941 13.0792 13.0792 13.7159 13.7159 13.8580 13.8580 13.9472 13.9472 14.7505 14.7505 15.2375 15.2375 15.6889 15.6889 15.7649 15.7649 16.1708 16.1708 16.6514 16.6514 17.7375 17.7375 18.5980 18.5980 18.9771 18.9771 19.1398 19.1398 19.1897 19.1897 k = 0.1638 0.5000 0.1638 ( 4832 PWs) bands (ev): -39.7216 -39.7216 -16.3999 -16.3999 -15.7512 -15.7512 -15.7388 -15.7388 10.7607 10.7607 11.6414 11.6414 12.3617 12.3617 12.6298 12.6298 12.6618 12.6618 12.9304 12.9304 13.0855 13.0855 13.6866 13.6866 13.8405 13.8405 13.9274 13.9274 14.7249 14.7249 15.2209 15.2209 15.7100 15.7100 15.7951 15.7951 16.2216 16.2216 16.6393 16.6393 17.7472 17.7472 18.5707 18.5707 18.9684 18.9684 19.1204 19.1204 19.1877 19.1877 k = 0.1552 0.5000 0.1552 ( 4832 PWs) bands (ev): -39.7216 -39.7216 -16.3998 -16.3998 -15.7512 -15.7512 -15.7385 -15.7385 10.7315 10.7315 11.6401 11.6401 12.3352 12.3352 12.5905 12.5905 12.6751 12.6751 12.9441 12.9441 13.1142 13.1142 13.6569 13.6569 13.8196 13.8196 13.9181 13.9181 14.6996 14.6996 15.2081 15.2081 15.7270 15.7270 15.8238 15.8238 16.2687 16.2687 16.6299 16.6299 17.7606 17.7606 18.5437 18.5437 18.9545 18.9545 19.1027 19.1027 19.1874 19.1874 k = 0.1466 0.5000 0.1466 ( 4824 PWs) bands (ev): -39.7216 -39.7216 -16.3998 -16.3998 -15.7513 -15.7513 -15.7381 -15.7381 10.7009 10.7009 11.6360 11.6360 12.3050 12.3050 12.5428 12.5428 12.7055 12.7055 12.9407 12.9407 13.1590 13.1590 13.6270 13.6270 13.7980 13.7980 13.9165 13.9165 14.6747 14.6747 15.1992 15.1992 15.7418 15.7418 15.8493 15.8493 16.3067 16.3067 16.6278 16.6278 17.7777 17.7777 18.5171 18.5171 18.9353 18.9353 19.0872 19.0872 19.1881 19.1881 k = 0.1379 0.5000 0.1379 ( 4832 PWs) bands (ev): -39.7216 -39.7216 -16.3997 -16.3997 -15.7514 -15.7514 -15.7377 -15.7377 10.6695 10.6695 11.6293 11.6293 12.2735 12.2735 12.4989 12.4989 12.7382 12.7382 12.9300 12.9300 13.2101 13.2101 13.5973 13.5973 13.7779 13.7779 13.9198 13.9198 14.6503 14.6503 15.1943 15.1943 15.7550 15.7550 15.8711 15.8711 16.3297 16.3297 16.6385 16.6385 17.7986 17.7986 18.4912 18.4912 18.9116 18.9116 19.0735 19.0735 19.1895 19.1895 k = 0.1293 0.5000 0.1293 ( 4838 PWs) bands (ev): -39.7217 -39.7217 -16.3996 -16.3996 -15.7514 -15.7514 -15.7374 -15.7374 10.6376 10.6376 11.6204 11.6204 12.2420 12.2420 12.4592 12.4592 12.7707 12.7707 12.9170 12.9170 13.2622 13.2622 13.5684 13.5684 13.7603 13.7603 13.9268 13.9268 14.6264 14.6264 15.1931 15.1931 15.7672 15.7672 15.8888 15.8888 16.3342 16.3342 16.6646 16.6646 17.8231 17.8231 18.4660 18.4660 18.8843 18.8843 19.0608 19.0608 19.1917 19.1917 k = 0.1207 0.5000 0.1207 ( 4846 PWs) bands (ev): -39.7217 -39.7217 -16.3995 -16.3995 -15.7515 -15.7515 -15.7370 -15.7370 10.6056 10.6056 11.6097 11.6097 12.2114 12.2114 12.4238 12.4238 12.8017 12.8017 12.9040 12.9040 13.3127 13.3127 13.5408 13.5408 13.7454 13.7454 13.9366 13.9366 14.6031 14.6031 15.1957 15.1957 15.7785 15.7785 15.9025 15.9025 16.3222 16.3222 16.7040 16.7040 17.8511 17.8511 18.4417 18.4417 18.8545 18.8545 19.0484 19.0484 19.1945 19.1945 k = 0.1121 0.5000 0.1121 ( 4842 PWs) bands (ev): -39.7217 -39.7217 -16.3994 -16.3994 -15.7516 -15.7516 -15.7366 -15.7366 10.5739 10.5739 11.5975 11.5975 12.1820 12.1820 12.3922 12.3922 12.8294 12.8294 12.8932 12.8932 13.3602 13.3602 13.5155 13.5155 13.7328 13.7328 13.9489 13.9489 14.5805 14.5805 15.2019 15.2019 15.7889 15.7889 15.9124 15.9124 16.2984 16.2984 16.7515 16.7515 17.8823 17.8823 18.4184 18.4184 18.8231 18.8231 19.0361 19.0361 19.1977 19.1977 k = 0.1034 0.5000 0.1034 ( 4846 PWs) bands (ev): -39.7217 -39.7217 -16.3994 -16.3994 -15.7516 -15.7516 -15.7363 -15.7363 10.5428 10.5428 11.5843 11.5843 12.1541 12.1541 12.3644 12.3644 12.8481 12.8481 12.8899 12.8899 13.4027 13.4027 13.4943 13.4943 13.7224 13.7224 13.9635 13.9635 14.5587 14.5587 15.2115 15.2115 15.7986 15.7986 15.9189 15.9189 16.2671 16.2671 16.8028 16.8028 17.9160 17.9160 18.3962 18.3962 18.7906 18.7906 19.0238 19.0238 19.2011 19.2011 k = 0.0948 0.5000 0.0948 ( 4842 PWs) bands (ev): -39.7218 -39.7218 -16.3993 -16.3993 -15.7516 -15.7516 -15.7360 -15.7360 10.5129 10.5129 11.5705 11.5705 12.1281 12.1281 12.3398 12.3398 12.8498 12.8498 12.9019 12.9019 13.4329 13.4329 13.4842 13.4842 13.7136 13.7136 13.9801 13.9801 14.5377 14.5377 15.2243 15.2243 15.8074 15.8074 15.9222 15.9222 16.2312 16.2312 16.8549 16.8549 17.9518 17.9518 18.3752 18.3752 18.7576 18.7576 19.0116 19.0116 19.2047 19.2047 k = 0.0862 0.5000 0.0862 ( 4838 PWs) bands (ev): -39.7218 -39.7218 -16.3992 -16.3992 -15.7517 -15.7517 -15.7357 -15.7357 10.4844 10.4844 11.5565 11.5565 12.1039 12.1039 12.3184 12.3184 12.8428 12.8428 12.9208 12.9208 13.4353 13.4353 13.5009 13.5009 13.7063 13.7063 13.9986 13.9986 14.5175 14.5175 15.2400 15.2400 15.8154 15.8154 15.9229 15.9229 16.1924 16.1924 16.9062 16.9062 17.9888 17.9888 18.3556 18.3556 18.7244 18.7244 18.9996 18.9996 19.2082 19.2082 k = 0.0776 0.5000 0.0776 ( 4834 PWs) bands (ev): -39.7218 -39.7218 -16.3992 -16.3992 -15.7517 -15.7517 -15.7354 -15.7354 10.4576 10.4576 11.5427 11.5427 12.0818 12.0818 12.2998 12.2998 12.8343 12.8343 12.9390 12.9390 13.4249 13.4249 13.5294 13.5294 13.7001 13.7001 14.0187 14.0187 14.4983 14.4983 15.2582 15.2582 15.8224 15.8224 15.9213 15.9213 16.1522 16.1522 16.9554 16.9554 18.0264 18.0264 18.3374 18.3374 18.6915 18.6915 18.9880 18.9880 19.2116 19.2116 k = 0.0690 0.5000 0.0690 ( 4830 PWs) bands (ev): -39.7218 -39.7218 -16.3991 -16.3991 -15.7517 -15.7517 -15.7352 -15.7352 10.4329 10.4329 11.5293 11.5293 12.0618 12.0618 12.2838 12.2838 12.8261 12.8261 12.9548 12.9548 13.4145 13.4145 13.5568 13.5568 13.6950 13.6950 14.0400 14.0400 14.4799 14.4799 15.2786 15.2786 15.8284 15.8284 15.9181 15.9181 16.1116 16.1116 17.0016 17.0016 18.0637 18.0637 18.3208 18.3208 18.6593 18.6593 18.9770 18.9770 19.2148 19.2148 k = 0.0603 0.5000 0.0603 ( 4842 PWs) bands (ev): -39.7218 -39.7218 -16.3990 -16.3990 -15.7518 -15.7518 -15.7349 -15.7349 10.4105 10.4105 11.5168 11.5168 12.0439 12.0439 12.2701 12.2701 12.8187 12.8187 12.9676 12.9676 13.4063 13.4063 13.5807 13.5807 13.6907 13.6907 14.0621 14.0621 14.4625 14.4625 15.3006 15.3006 15.8331 15.8331 15.9136 15.9136 16.0718 16.0718 17.0441 17.0441 18.1000 18.1000 18.3060 18.3060 18.6279 18.6279 18.9669 18.9669 19.2178 19.2178 k = 0.0517 0.5000 0.0517 ( 4842 PWs) bands (ev): -39.7218 -39.7218 -16.3990 -16.3990 -15.7518 -15.7518 -15.7347 -15.7347 10.3906 10.3906 11.5054 11.5054 12.0284 12.0284 12.2587 12.2587 12.8123 12.8123 12.9774 12.9774 13.4008 13.4008 13.6007 13.6007 13.6871 13.6871 14.0843 14.0843 14.4461 14.4461 15.3237 15.3237 15.8363 15.8363 15.9085 15.9085 16.0338 16.0338 17.0825 17.0825 18.1346 18.1346 18.2930 18.2930 18.5980 18.5980 18.9577 18.9577 19.2204 19.2204 k = 0.0431 0.5000 0.0431 ( 4846 PWs) bands (ev): -39.7218 -39.7218 -16.3989 -16.3989 -15.7518 -15.7518 -15.7345 -15.7345 10.3735 10.3735 11.4953 11.4953 12.0152 12.0152 12.2492 12.2492 12.8069 12.8069 12.9846 12.9846 13.3974 13.3974 13.6169 13.6169 13.6843 13.6843 14.1058 14.1058 14.4309 14.4309 15.3471 15.3471 15.8376 15.8376 15.9031 15.9031 15.9991 15.9991 17.1162 17.1162 18.1664 18.1664 18.2822 18.2822 18.5700 18.5700 18.9497 18.9497 19.2227 19.2227 k = 0.0345 0.5000 0.0345 ( 4850 PWs) bands (ev): -39.7219 -39.7219 -16.3989 -16.3989 -15.7518 -15.7518 -15.7344 -15.7344 10.3592 10.3592 11.4868 11.4868 12.0043 12.0043 12.2417 12.2417 12.8024 12.8024 12.9896 12.9896 13.3958 13.3958 13.6296 13.6296 13.6821 13.6821 14.1259 14.1259 14.4170 14.4170 15.3696 15.3696 15.8364 15.8364 15.8980 15.8980 15.9694 15.9694 17.1445 17.1445 18.1945 18.1945 18.2738 18.2738 18.5443 18.5443 18.9430 18.9430 19.2246 19.2246 k = 0.0259 0.5000 0.0259 ( 4838 PWs) bands (ev): -39.7219 -39.7219 -16.3989 -16.3989 -15.7518 -15.7518 -15.7343 -15.7343 10.3480 10.3480 11.4801 11.4801 11.9958 11.9958 12.2359 12.2359 12.7990 12.7990 12.9928 12.9928 13.3953 13.3953 13.6389 13.6389 13.6806 13.6806 14.1434 14.1434 14.4049 14.4049 15.3900 15.3900 15.8325 15.8325 15.8934 15.8934 15.9464 15.9464 17.1672 17.1672 18.2170 18.2170 18.2690 18.2690 18.5220 18.5220 18.9376 18.9376 19.2262 19.2262 k = 0.0172 0.5000 0.0172 ( 4842 PWs) bands (ev): -39.7219 -39.7219 -16.3988 -16.3988 -15.7518 -15.7518 -15.7342 -15.7342 10.3399 10.3399 11.4751 11.4751 11.9897 11.9897 12.2319 12.2319 12.7965 12.7965 12.9948 12.9948 13.3953 13.3953 13.6452 13.6452 13.6797 13.6797 14.1573 14.1573 14.3954 14.3954 15.4066 15.4066 15.8267 15.8267 15.8899 15.8899 15.9310 15.9310 17.1837 17.1837 18.2315 18.2315 18.2690 18.2690 18.5041 18.5041 18.9337 18.9337 19.2273 19.2273 k = 0.0086 0.5000 0.0086 ( 4828 PWs) bands (ev): -39.7219 -39.7219 -16.3988 -16.3988 -15.7518 -15.7518 -15.7341 -15.7341 10.3350 10.3350 11.4721 11.4721 11.9861 11.9861 12.2295 12.2295 12.7951 12.7951 12.9958 12.9958 13.3956 13.3956 13.6488 13.6488 13.6792 13.6792 14.1663 14.1663 14.3891 14.3891 15.4175 15.4175 15.8214 15.8214 15.8877 15.8877 15.9226 15.9226 17.1938 17.1938 18.2373 18.2373 18.2730 18.2730 18.4923 18.4923 18.9314 18.9314 19.2279 19.2279 k = 0.0000 0.5000-0.0000 ( 4828 PWs) bands (ev): -39.7219 -39.7219 -16.3988 -16.3988 -15.7518 -15.7518 -15.7341 -15.7341 10.3334 10.3334 11.4711 11.4711 11.9848 11.9848 12.2287 12.2287 12.7946 12.7946 12.9961 12.9961 13.3957 13.3957 13.6500 13.6500 13.6791 13.6791 14.1695 14.1695 14.3869 14.3869 15.4214 15.4214 15.8192 15.8192 15.8869 15.8869 15.9200 15.9200 17.1972 17.1972 18.2385 18.2385 18.2753 18.2753 18.4881 18.4881 18.9306 18.9306 19.2281 19.2281 k = 0.5000 0.5000-0.0000 ( 4812 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7533 -15.7533 -15.7429 -15.7429 11.8793 11.8793 11.9908 11.9908 12.7863 12.7863 12.9315 12.9315 12.9553 12.9553 13.0072 13.0072 13.3840 13.3840 13.4682 13.4682 13.6569 13.6569 14.0309 14.0309 14.5083 14.5083 15.2181 15.2181 15.2431 15.2431 15.2932 15.2932 16.0204 16.0204 16.2547 16.2547 16.3014 16.3014 18.6357 18.6357 18.7331 18.7331 18.8383 18.8383 19.9400 19.9400 k = 0.5000 0.5000 0.0122 ( 4812 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7533 -15.7533 -15.7429 -15.7429 11.8765 11.8765 11.9879 11.9879 12.7470 12.7470 12.9143 12.9143 12.9695 12.9695 13.0451 13.0451 13.3843 13.3843 13.4739 13.4739 13.6605 13.6605 14.0353 14.0353 14.5102 14.5102 15.2116 15.2116 15.2434 15.2434 15.2963 15.2963 16.0200 16.0200 16.2531 16.2531 16.3071 16.3071 18.6371 18.6371 18.7345 18.7345 18.8403 18.8403 19.9393 19.9393 k = 0.5000 0.5000 0.0244 ( 4812 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7532 -15.7532 -15.7429 -15.7429 11.8679 11.8679 11.9793 11.9793 12.6737 12.6737 12.8530 12.8530 13.0380 13.0380 13.0969 13.0969 13.3870 13.3870 13.4900 13.4900 13.6712 13.6712 14.0485 14.0485 14.5161 14.5161 15.1947 15.1947 15.2442 15.2442 15.3035 15.3035 16.0193 16.0193 16.2484 16.2484 16.3238 16.3238 18.6410 18.6410 18.7387 18.7387 18.8465 18.8465 19.9373 19.9373 k = 0.5000 0.5000 0.0366 ( 4808 PWs) bands (ev): -39.7211 -39.7211 -16.4020 -16.4020 -15.7532 -15.7532 -15.7430 -15.7430 11.8540 11.8540 11.9652 11.9652 12.5936 12.5936 12.7886 12.7886 13.1070 13.1070 13.1453 13.1453 13.3970 13.3970 13.5140 13.5140 13.6896 13.6896 14.0701 14.0701 14.5260 14.5260 15.1711 15.1711 15.2456 15.2456 15.3112 15.3112 16.0192 16.0192 16.2407 16.2407 16.3502 16.3502 18.6476 18.6476 18.7457 18.7457 18.8568 18.8568 19.9340 19.9340 k = 0.5000 0.5000 0.0488 ( 4796 PWs) bands (ev): -39.7211 -39.7211 -16.4019 -16.4019 -15.7531 -15.7531 -15.7430 -15.7430 11.8350 11.8350 11.9460 11.9460 12.5121 12.5121 12.7229 12.7229 13.1661 13.1661 13.1883 13.1883 13.4205 13.4205 13.5442 13.5442 13.7157 13.7157 14.0992 14.0992 14.5399 14.5399 15.1431 15.1431 15.2477 15.2477 15.3179 15.3179 16.0209 16.0209 16.2301 16.2301 16.3846 16.3846 18.6567 18.6567 18.7554 18.7554 18.8711 18.8711 19.9292 19.9292 k = 0.5000 0.5000 0.0610 ( 4804 PWs) bands (ev): -39.7211 -39.7211 -16.4019 -16.4019 -15.7530 -15.7530 -15.7430 -15.7430 11.8114 11.8114 11.9220 11.9220 12.4307 12.4307 12.6566 12.6566 13.2090 13.2090 13.2254 13.2254 13.4621 13.4621 13.5801 13.5801 13.7495 13.7495 14.1353 14.1353 14.5578 14.5578 15.1119 15.1119 15.2507 15.2507 15.3234 15.3234 16.0250 16.0250 16.2167 16.2167 16.4256 16.4256 18.6681 18.6681 18.7677 18.7677 18.8892 18.8892 19.9230 19.9230 k = 0.5000 0.5000 0.0732 ( 4796 PWs) bands (ev): -39.7211 -39.7211 -16.4018 -16.4018 -15.7528 -15.7528 -15.7430 -15.7430 11.7838 11.7838 11.8939 11.8939 12.3502 12.3502 12.5903 12.5903 13.2359 13.2359 13.2566 13.2566 13.5196 13.5196 13.6223 13.6223 13.7903 13.7903 14.1774 14.1774 14.5798 14.5798 15.0785 15.0785 15.2548 15.2548 15.3277 15.3277 16.0323 16.0323 16.2008 16.2008 16.4719 16.4719 18.6817 18.6817 18.7824 18.7824 18.9111 18.9111 19.9153 19.9153 k = 0.5000 0.5000 0.0854 ( 4796 PWs) bands (ev): -39.7211 -39.7211 -16.4017 -16.4017 -15.7527 -15.7527 -15.7431 -15.7431 11.7526 11.7526 11.8621 11.8621 12.2708 12.2708 12.5242 12.5242 13.2523 13.2523 13.2828 13.2828 13.5837 13.5837 13.6732 13.6732 13.8370 13.8370 14.2247 14.2247 14.6060 14.6060 15.0436 15.0436 15.2602 15.2602 15.3313 15.3313 16.0431 16.0431 16.1826 16.1826 16.5224 16.5224 18.6973 18.6973 18.7993 18.7993 18.9364 18.9364 19.9060 19.9060 k = 0.5000 0.5000 0.0976 ( 4796 PWs) bands (ev): -39.7211 -39.7211 -16.4016 -16.4016 -15.7525 -15.7525 -15.7431 -15.7431 11.7185 11.7185 11.8271 11.8271 12.1929 12.1929 12.4587 12.4587 13.2633 13.2633 13.3047 13.3047 13.6444 13.6444 13.7366 13.7366 13.8881 13.8881 14.2763 14.2763 14.6363 14.6363 15.0078 15.0078 15.2672 15.2672 15.3347 15.3347 16.0575 16.0575 16.1624 16.1624 16.5763 16.5763 18.7147 18.7147 18.8184 18.8184 18.9651 18.9651 19.8951 19.8951 k = 0.5000 0.5000 0.1098 ( 4796 PWs) bands (ev): -39.7211 -39.7211 -16.4015 -16.4015 -15.7523 -15.7523 -15.7432 -15.7432 11.6820 11.6820 11.7896 11.7896 12.1166 12.1166 12.3940 12.3940 13.2718 13.2718 13.3234 13.3234 13.6979 13.6979 13.8120 13.8120 13.9419 13.9419 14.3313 14.3313 14.6709 14.6709 14.9719 14.9719 15.2762 15.2762 15.3385 15.3385 16.0757 16.0757 16.1405 16.1405 16.6329 16.6329 18.7338 18.7338 18.8392 18.8392 18.9967 18.9967 19.8824 19.8824 k = 0.5000 0.5000 0.1220 ( 4796 PWs) bands (ev): -39.7211 -39.7211 -16.4014 -16.4014 -15.7521 -15.7521 -15.7432 -15.7432 11.6435 11.6435 11.7500 11.7500 12.0421 12.0421 12.3303 12.3303 13.2793 13.2793 13.3397 13.3397 13.7467 13.7467 13.8943 13.8943 13.9970 13.9970 14.3891 14.3891 14.7099 14.7099 14.9365 14.9365 15.2877 15.2877 15.3435 15.3435 16.0976 16.0976 16.1171 16.1171 16.6916 16.6916 18.7544 18.7544 18.8616 18.8616 19.0311 19.0311 19.8679 19.8679 k = 0.5000 0.5000 0.1341 ( 4800 PWs) bands (ev): -39.7212 -39.7212 -16.4013 -16.4013 -15.7519 -15.7519 -15.7433 -15.7433 11.6035 11.6035 11.7088 11.7088 11.9694 11.9694 12.2677 12.2677 13.2864 13.2864 13.3542 13.3542 13.7934 13.7934 13.9790 13.9790 14.0518 14.0518 14.4486 14.4486 14.7534 14.7534 14.9021 14.9021 15.3019 15.3019 15.3505 15.3505 16.0926 16.0926 16.1233 16.1233 16.7519 16.7519 18.7763 18.7763 18.8853 18.8853 19.0679 19.0679 19.8515 19.8515 k = 0.5000 0.5000 0.1463 ( 4800 PWs) bands (ev): -39.7212 -39.7212 -16.4011 -16.4011 -15.7517 -15.7517 -15.7434 -15.7434 11.5625 11.5625 11.6664 11.6664 11.8986 11.8986 12.2064 12.2064 13.2935 13.2935 13.3673 13.3673 13.8388 13.8388 14.0637 14.0637 14.1049 14.1049 14.5090 14.5090 14.8015 14.8015 14.8696 14.8696 15.3196 15.3196 15.3604 15.3604 16.0673 16.0673 16.1527 16.1527 16.8133 16.8133 18.7993 18.7993 18.9099 18.9099 19.1068 19.1068 19.8330 19.8330 k = 0.5000 0.5000 0.1585 ( 4800 PWs) bands (ev): -39.7212 -39.7212 -16.4010 -16.4010 -15.7514 -15.7514 -15.7434 -15.7434 11.5207 11.5207 11.6232 11.6232 11.8297 11.8297 12.1465 12.1465 13.3008 13.3008 13.3794 13.3794 13.8833 13.8833 14.1464 14.1464 14.1551 14.1551 14.5689 14.5689 14.8400 14.8400 14.8545 14.8545 15.3410 15.3410 15.3741 15.3741 16.0415 16.0415 16.1860 16.1860 16.8756 16.8756 18.8231 18.8231 18.9351 18.9351 19.1476 19.1476 19.8123 19.8123 k = 0.5000 0.5000 0.1707 ( 4800 PWs) bands (ev): -39.7212 -39.7212 -16.4008 -16.4008 -15.7511 -15.7511 -15.7435 -15.7435 11.4786 11.4786 11.5796 11.5796 11.7630 11.7630 12.0881 12.0881 13.3081 13.3081 13.3905 13.3905 13.9271 13.9271 14.2012 14.2012 14.2258 14.2258 14.6265 14.6265 14.8150 14.8150 14.9125 14.9125 15.3668 15.3668 15.3927 15.3927 16.0157 16.0157 16.2231 16.2231 16.9382 16.9382 18.8477 18.8477 18.9605 18.9605 19.1898 19.1898 19.7892 19.7892 k = 0.5000 0.5000 0.1829 ( 4784 PWs) bands (ev): -39.7212 -39.7212 -16.4007 -16.4007 -15.7509 -15.7509 -15.7436 -15.7436 11.4363 11.4363 11.5359 11.5359 11.6984 11.6984 12.0312 12.0312 13.3155 13.3155 13.4008 13.4008 13.9699 13.9699 14.2420 14.2420 14.3006 14.3006 14.6765 14.6765 14.7997 14.7997 14.9758 14.9758 15.3974 15.3974 15.4172 15.4172 15.9901 15.9901 16.2640 16.2640 17.0010 17.0010 18.8727 18.8727 18.9856 18.9856 19.2332 19.2332 19.7638 19.7638 k = 0.5000 0.5000 0.1951 ( 4784 PWs) bands (ev): -39.7212 -39.7212 -16.4005 -16.4005 -15.7506 -15.7506 -15.7437 -15.7437 11.3942 11.3942 11.4923 11.4923 11.6359 11.6359 11.9761 11.9761 13.3230 13.3230 13.4103 13.4103 14.0119 14.0119 14.2766 14.2766 14.3699 14.3699 14.7051 14.7051 14.8074 14.8074 15.0445 15.0445 15.4330 15.4330 15.4484 15.4484 15.9653 15.9653 16.3088 16.3088 17.0637 17.0637 18.8980 18.8980 19.0099 19.0099 19.2775 19.2775 19.7358 19.7358 k = 0.5000 0.5000 0.2073 ( 4800 PWs) bands (ev): -39.7212 -39.7212 -16.4004 -16.4004 -15.7503 -15.7503 -15.7438 -15.7438 11.3525 11.3525 11.4492 11.4492 11.5757 11.5757 11.9226 11.9226 13.3303 13.3303 13.4190 13.4190 14.0529 14.0529 14.3044 14.3044 14.4330 14.4330 14.7062 14.7062 14.8440 14.8440 15.1183 15.1183 15.4737 15.4737 15.4869 15.4869 15.9420 15.9420 16.3574 16.3574 17.1259 17.1259 18.9232 18.9232 19.0329 19.0329 19.3223 19.3223 19.7052 19.7052 k = 0.5000 0.5000 0.2195 ( 4784 PWs) bands (ev): -39.7212 -39.7212 -16.4002 -16.4002 -15.7500 -15.7500 -15.7438 -15.7438 11.3114 11.3114 11.4066 11.4066 11.5178 11.5178 11.8710 11.8710 13.3376 13.3376 13.4267 13.4267 14.0929 14.0929 14.3253 14.3253 14.4894 14.4894 14.6968 14.6968 14.8923 14.8923 15.1968 15.1968 15.5193 15.5193 15.5331 15.5331 15.9210 15.9210 16.4098 16.4098 17.1875 17.1875 18.9481 18.9481 19.0537 19.0537 19.3673 19.3673 19.6720 19.6720 k = 0.5000 0.5000 0.2317 ( 4792 PWs) bands (ev): -39.7212 -39.7212 -16.4000 -16.4000 -15.7497 -15.7497 -15.7439 -15.7439 11.2710 11.2710 11.3649 11.3649 11.4622 11.4622 11.8212 11.8212 13.3447 13.3447 13.4334 13.4334 14.1318 14.1318 14.3397 14.3397 14.5393 14.5393 14.6861 14.6861 14.9422 14.9422 15.2790 15.2790 15.5692 15.5692 15.5870 15.5870 15.9039 15.9039 16.4659 16.4659 17.2483 17.2483 18.9724 18.9724 19.0717 19.0717 19.4122 19.4122 19.6363 19.6363 k = 0.5000 0.5000 0.2439 ( 4796 PWs) bands (ev): -39.7212 -39.7212 -16.3999 -16.3999 -15.7494 -15.7494 -15.7440 -15.7440 11.2315 11.2315 11.3241 11.3241 11.4089 11.4089 11.7733 11.7733 13.3515 13.3515 13.4391 13.4391 14.1696 14.1696 14.3483 14.3483 14.5830 14.5830 14.6765 14.6765 14.9912 14.9912 15.3627 15.3627 15.6223 15.6223 15.6482 15.6482 15.8931 15.8931 16.5256 16.5256 17.3079 17.3079 18.9957 18.9957 19.0859 19.0859 19.4563 19.4563 19.5985 19.5985 k = 0.5000 0.5000 0.2561 ( 4796 PWs) bands (ev): -39.7212 -39.7212 -16.3997 -16.3997 -15.7491 -15.7491 -15.7441 -15.7441 11.1930 11.1930 11.2845 11.2845 11.3581 11.3581 11.7274 11.7274 13.3579 13.3579 13.4437 13.4437 14.2062 14.2062 14.3522 14.3522 14.6211 14.6211 14.6681 14.6681 15.0382 15.0382 15.4444 15.4444 15.6772 15.6772 15.7162 15.7162 15.8930 15.8930 16.5887 16.5887 17.3662 17.3662 19.0174 19.0174 19.0953 19.0953 19.4965 19.4965 19.5616 19.5616 k = 0.5000 0.5000 0.2683 ( 4792 PWs) bands (ev): -39.7212 -39.7212 -16.3995 -16.3995 -15.7487 -15.7487 -15.7442 -15.7442 11.1557 11.1557 11.2461 11.2461 11.3096 11.3096 11.6835 11.6835 13.3640 13.3640 13.4472 13.4472 14.2416 14.2416 14.3527 14.3527 14.6543 14.6543 14.6607 14.6607 15.0830 15.0830 15.5169 15.5169 15.7338 15.7338 15.7900 15.7900 15.9097 15.9097 16.6551 16.6551 17.4231 17.4231 19.0368 19.0368 19.0990 19.0990 19.5012 19.5012 19.5576 19.5576 k = 0.5000 0.5000 0.2805 ( 4808 PWs) bands (ev): -39.7212 -39.7212 -16.3993 -16.3993 -15.7484 -15.7484 -15.7443 -15.7443 11.1196 11.1196 11.2092 11.2092 11.2637 11.2637 11.6416 11.6416 13.3696 13.3696 13.4495 13.4495 14.2757 14.2757 14.3508 14.3508 14.6540 14.6540 14.6835 14.6835 15.1254 15.1254 15.5696 15.5696 15.7975 15.7975 15.8690 15.8690 15.9475 15.9475 16.7244 16.7244 17.4782 17.4782 19.0528 19.0528 19.0959 19.0959 19.4623 19.4623 19.5948 19.5948 k = 0.5000 0.5000 0.2927 ( 4808 PWs) bands (ev): -39.7212 -39.7212 -16.3992 -16.3992 -15.7481 -15.7481 -15.7443 -15.7443 11.0849 11.0849 11.1737 11.1737 11.2202 11.2202 11.6019 11.6019 13.3748 13.3748 13.4506 13.4506 14.3085 14.3085 14.3476 14.3476 14.6476 14.6476 14.7091 14.7091 15.1653 15.1653 15.5970 15.5970 15.8749 15.8749 15.9523 15.9523 16.0041 16.0041 16.7962 16.7962 17.5315 17.5315 19.0638 19.0638 19.0853 19.0853 19.4190 19.4190 19.6355 19.6355 k = 0.5000 0.5000 0.3049 ( 4816 PWs) bands (ev): -39.7213 -39.7213 -16.3990 -16.3990 -15.7478 -15.7478 -15.7444 -15.7444 11.0517 11.0517 11.1399 11.1399 11.1792 11.1792 11.5642 11.5642 13.3796 13.3796 13.4506 13.4506 14.3398 14.3398 14.3437 14.3437 14.6416 14.6416 14.7319 14.7319 15.2028 15.2028 15.6048 15.6048 15.9652 15.9652 16.0392 16.0392 16.0739 16.0739 16.8703 16.8703 17.5827 17.5827 19.0668 19.0668 19.0673 19.0673 19.3773 19.3773 19.6755 19.6755 k = 0.5000 0.5000 0.3171 ( 4808 PWs) bands (ev): -39.7213 -39.7213 -16.3988 -16.3988 -15.7475 -15.7475 -15.7445 -15.7445 11.0199 11.0199 11.1077 11.1077 11.1407 11.1407 11.5286 11.5286 13.3838 13.3838 13.4497 13.4497 14.3396 14.3396 14.3697 14.3697 14.6358 14.6358 14.7523 14.7523 15.2379 15.2379 15.6016 15.6016 16.0633 16.0633 16.1291 16.1291 16.1520 16.1520 16.9462 16.9462 17.6317 17.6317 19.0401 19.0401 19.0594 19.0594 19.3412 19.3412 19.7143 19.7143 k = 0.5000 0.5000 0.3293 ( 4808 PWs) bands (ev): -39.7213 -39.7213 -16.3987 -16.3987 -15.7473 -15.7473 -15.7446 -15.7446 10.9898 10.9898 11.0773 11.0773 11.1048 11.1048 11.4953 11.4953 13.3876 13.3876 13.4478 13.4478 14.3357 14.3357 14.3980 14.3980 14.6302 14.6302 14.7707 14.7707 15.2705 15.2705 15.5929 15.5929 16.1656 16.1656 16.2213 16.2213 16.2360 16.2360 17.0232 17.0232 17.6783 17.6783 19.0056 19.0056 19.0367 19.0367 19.3143 19.3143 19.7514 19.7514 k = 0.5000 0.5000 0.3415 ( 4812 PWs) bands (ev): -39.7213 -39.7213 -16.3985 -16.3985 -15.7470 -15.7470 -15.7447 -15.7447 10.9614 10.9614 11.0488 11.0488 11.0714 11.0714 11.4641 11.4641 13.3909 13.3909 13.4451 13.4451 14.3320 14.3320 14.4247 14.4247 14.6249 14.6249 14.7873 14.7873 15.3007 15.3007 15.5818 15.5818 16.2696 16.2696 16.3153 16.3153 16.3241 16.3241 17.1010 17.1010 17.7224 17.7224 18.9637 18.9637 18.9978 18.9978 19.2978 19.2978 19.7785 19.7785 k = 0.5000 0.5000 0.3537 ( 4804 PWs) bands (ev): -39.7213 -39.7213 -16.3984 -16.3984 -15.7467 -15.7467 -15.7447 -15.7447 10.9348 10.9348 11.0221 11.0221 11.0405 11.0405 11.4351 11.4351 13.3938 13.3938 13.4418 13.4418 14.3287 14.3287 14.4496 14.4496 14.6201 14.6201 14.8024 14.8024 15.3285 15.3285 15.5697 15.5697 16.3737 16.3737 16.4107 16.4107 16.4157 16.4157 17.1787 17.1787 17.7639 17.7639 18.9153 18.9153 18.9449 18.9449 19.2893 19.2893 19.7872 19.7873 k = 0.5000 0.5000 0.3659 ( 4796 PWs) bands (ev): -39.7213 -39.7213 -16.3983 -16.3983 -15.7465 -15.7465 -15.7448 -15.7448 10.9100 10.9100 10.9974 10.9974 11.0122 11.0122 11.4084 11.4084 13.3962 13.3962 13.4381 13.4381 14.3258 14.3258 14.4728 14.4728 14.6157 14.6157 14.8162 14.8162 15.3539 15.3539 15.5575 15.5575 16.4765 16.4765 16.5068 16.5068 16.5100 16.5100 17.2556 17.2556 17.8028 17.8028 18.8610 18.8610 18.8818 18.8818 19.2852 19.2852 19.7974 19.7974 k = 0.5000 0.5000 0.3780 ( 4788 PWs) bands (ev): -39.7213 -39.7213 -16.3981 -16.3981 -15.7463 -15.7463 -15.7448 -15.7448 10.8871 10.8871 10.9746 10.9746 10.9864 10.9864 11.3840 11.3840 13.3983 13.3983 13.4340 13.4340 14.3232 14.3232 14.4942 14.4942 14.6118 14.6118 14.8288 14.8288 15.3770 15.3770 15.5457 15.5457 16.5770 16.5770 16.6032 16.6032 16.6063 16.6063 17.3308 17.3308 17.8390 17.8390 18.8018 18.8018 18.8114 18.8114 19.2824 19.2824 19.8082 19.8082 k = 0.5000 0.5000 0.3902 ( 4788 PWs) bands (ev): -39.7213 -39.7213 -16.3980 -16.3980 -15.7461 -15.7461 -15.7449 -15.7449 10.8662 10.8662 10.9540 10.9540 10.9631 10.9631 11.3618 11.3618 13.4001 13.4001 13.4298 13.4298 14.3210 14.3210 14.5136 14.5136 14.6084 14.6084 14.8401 14.8401 15.3978 15.3978 15.5347 15.5347 16.6752 16.6752 16.6993 16.6993 16.7030 16.7030 17.4031 17.4031 17.8726 17.8726 18.7360 18.7360 18.7387 18.7387 19.2787 19.2787 19.8192 19.8192 k = 0.5000 0.5000 0.4024 ( 4796 PWs) bands (ev): -39.7213 -39.7213 -16.3979 -16.3979 -15.7459 -15.7459 -15.7450 -15.7450 10.8473 10.8473 10.9354 10.9354 10.9423 10.9423 11.3419 11.3419 13.4015 13.4015 13.4255 13.4255 14.3191 14.3191 14.5311 14.5311 14.6056 14.6056 14.8504 14.8504 15.4164 15.4164 15.5245 15.5245 16.7709 16.7709 16.7943 16.7943 16.7983 16.7983 17.4714 17.4714 17.9039 17.9039 18.6574 18.6574 18.6726 18.6726 19.2728 19.2728 19.8297 19.8297 k = 0.5000 0.5000 0.4146 ( 4788 PWs) bands (ev): -39.7213 -39.7213 -16.3978 -16.3978 -15.7457 -15.7457 -15.7450 -15.7450 10.8305 10.8305 10.9189 10.9189 10.9240 10.9240 11.3244 11.3244 13.4027 13.4027 13.4214 13.4214 14.3174 14.3174 14.5465 14.5465 14.6033 14.6033 14.8595 14.8595 15.4327 15.4327 15.5155 15.5155 16.8637 16.8637 16.8876 16.8876 16.8905 16.8905 17.5340 17.5340 17.9334 17.9334 18.5770 18.5770 18.6046 18.6046 19.2639 19.2639 19.8392 19.8392 k = 0.5000 0.5000 0.4268 ( 4788 PWs) bands (ev): -39.7213 -39.7213 -16.3978 -16.3978 -15.7456 -15.7456 -15.7450 -15.7450 10.8158 10.8158 10.9045 10.9045 10.9082 10.9082 11.3091 11.3091 13.4036 13.4036 13.4176 13.4176 14.3160 14.3160 14.5600 14.5600 14.6014 14.6014 14.8674 14.8674 15.4468 15.4468 15.5076 15.5076 16.9518 16.9518 16.9779 16.9779 16.9788 16.9788 17.5888 17.5888 17.9620 17.9620 18.4963 18.4963 18.5358 18.5358 19.2519 19.2519 19.8474 19.8474 k = 0.5000 0.5000 0.4390 ( 4788 PWs) bands (ev): -39.7213 -39.7213 -16.3977 -16.3977 -15.7454 -15.7454 -15.7451 -15.7451 10.8033 10.8033 10.8924 10.8924 10.8948 10.8948 11.2962 11.2962 13.4043 13.4043 13.4142 13.4142 14.3148 14.3148 14.5714 14.5714 14.6000 14.6000 14.8742 14.8742 15.4586 15.4586 15.5009 15.5009 17.0322 17.0322 17.0628 17.0628 17.0640 17.0640 17.6339 17.6339 17.9909 17.9909 18.4173 18.4173 18.4676 18.4676 19.2372 19.2372 19.8539 19.8539 k = 0.5000 0.5000 0.4512 ( 4788 PWs) bands (ev): -39.7213 -39.7213 -16.3976 -16.3976 -15.7453 -15.7453 -15.7451 -15.7451 10.7930 10.7930 10.8824 10.8824 10.8839 10.8839 11.2856 11.2856 13.4048 13.4048 13.4112 13.4112 14.3138 14.3138 14.5807 14.5807 14.5990 14.5990 14.8798 14.8798 15.4683 15.4683 15.4953 15.4953 17.1017 17.1017 17.1418 17.1418 17.1437 17.1437 17.6673 17.6673 18.0213 18.0213 18.3424 18.3424 18.4013 18.4013 19.2211 19.2211 19.8584 19.8584 k = 0.5000 0.5000 0.4634 ( 4776 PWs) bands (ev): -39.7213 -39.7213 -16.3976 -16.3976 -15.7453 -15.7453 -15.7451 -15.7451 10.7850 10.7850 10.8746 10.8746 10.8754 10.8754 11.2774 11.2774 13.4052 13.4052 13.4089 13.4089 14.3130 14.3130 14.5880 14.5880 14.5982 14.5982 14.8842 14.8842 15.4759 15.4759 15.4911 15.4911 17.1580 17.1580 17.2128 17.2128 17.2142 17.2142 17.6883 17.6883 18.0546 18.0546 18.2750 18.2750 18.3383 18.3383 19.2052 19.2052 19.8610 19.8611 k = 0.5000 0.5000 0.4756 ( 4776 PWs) bands (ev): -39.7213 -39.7213 -16.3975 -16.3975 -15.7452 -15.7452 -15.7451 -15.7451 10.7793 10.7793 10.8690 10.8690 10.8694 10.8694 11.2715 11.2715 13.4055 13.4055 13.4071 13.4071 14.3124 14.3124 14.5932 14.5932 14.5977 14.5977 14.8874 14.8874 15.4812 15.4812 15.4880 15.4880 17.1997 17.1997 17.2707 17.2707 17.2713 17.2713 17.6981 17.6981 18.0912 18.0912 18.2198 18.2198 18.2796 18.2796 19.1918 19.1918 19.8620 19.8624 k = 0.5000 0.5000 0.4878 ( 4776 PWs) bands (ev): -39.7213 -39.7213 -16.3975 -16.3975 -15.7452 -15.7452 -15.7451 -15.7451 10.7758 10.7758 10.8657 10.8657 10.8658 10.8658 11.2679 11.2679 13.4057 13.4057 13.4061 13.4061 14.3120 14.3120 14.5963 14.5963 14.5974 14.5974 14.8893 14.8893 15.4845 15.4845 15.4861 15.4861 17.2254 17.2254 17.3093 17.3093 17.3095 17.3095 17.7007 17.7007 18.1315 18.1315 18.1829 18.1829 18.2259 18.2259 19.1827 19.1827 19.8621 19.8621 k = 0.5000 0.5000 0.5000 ( 4776 PWs) bands (ev): -39.7213 -39.7213 -16.3975 -16.3975 -15.7452 -15.7452 -15.7452 -15.7452 10.7747 10.7747 10.8646 10.8646 10.8646 10.8646 11.2668 11.2668 13.4057 13.4057 13.4057 13.4057 14.3119 14.3119 14.5973 14.5973 14.5973 14.5973 14.8899 14.8899 15.4855 15.4855 15.4855 15.4855 17.2341 17.2341 17.3230 17.3230 17.3230 17.3230 17.7008 17.7008 18.1698 18.1698 18.1698 18.1698 18.1832 18.1832 19.1795 19.1795 19.8620 19.8620 Writing output data file TiPt3.save init_run : 0.16s CPU 0.29s WALL ( 1 calls) electrons : 317.44s CPU 322.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 317.43s CPU 322.10s 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 : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 315 calls) cegterg : 304.19s CPU 307.94s WALL ( 730 calls) Called by sum_band: Called by *egterg: h_psi : 181.14s CPU 183.77s WALL ( 13393 calls) s_psi : 8.38s CPU 8.39s WALL ( 13393 calls) g_psi : 0.48s CPU 0.57s WALL ( 12348 calls) cdiaghg : 88.70s CPU 89.70s WALL ( 12663 calls) cegterg:over : 12.68s CPU 12.85s WALL ( 12348 calls) cegterg:upda : 10.85s CPU 10.86s WALL ( 12348 calls) cegterg:last : 6.68s CPU 6.74s WALL ( 2478 calls) cdiaghg:chol : 5.12s CPU 5.07s WALL ( 12663 calls) cdiaghg:inve : 3.61s CPU 3.36s WALL ( 12663 calls) cdiaghg:para : 5.53s CPU 5.37s WALL ( 25326 calls) Called by h_psi: h_psi:vloc : 159.48s CPU 161.78s WALL ( 13393 calls) h_psi:vnl : 21.14s CPU 21.49s WALL ( 13393 calls) add_vuspsi : 11.26s CPU 11.44s WALL ( 13393 calls) General routines calbec : 9.85s CPU 10.01s WALL ( 13393 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 150.75s CPU 153.16s WALL ( 1460668 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.68s WALL ( 630 calls) Parallel routines fft_scatter : 50.31s CPU 51.30s WALL ( 1460691 calls) PWSCF : 5m32.84s CPU 5m53.44s WALL This run was terminated on: 21:13:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=