Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 7:20 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: ./SnPt3.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized 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 54 24 7 1824 534 89 Max 56 25 8 1827 543 92 Sum 1969 877 261 65699 19381 3239 bravais-lattice index = 14 lattice parameter (alat) = 7.5589 a.u. unit-cell volume = 431.8933 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.558904 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 Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Sn 14.00 118.71000 Sn( 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= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144927 0.0144927), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028985 0.2028985), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855072 0.4855072), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 Dense grid: 65699 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 19381 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 144, 52) NL pseudopotentials 0.15 Mb ( 72, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1827) G-vector shells 0.00 Mb ( 406) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 144, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) The potential is recalculated from file : ./SnPt3.save/charge-density.dat Starting wfc are 72 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 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.2 secs Computing kpt #: 12 total cpu time spent up to now is 9.8 secs Computing kpt #: 13 total cpu time spent up to now is 10.5 secs Computing kpt #: 14 total cpu time spent up to now is 11.5 secs Computing kpt #: 15 total cpu time spent up to now is 12.3 secs Computing kpt #: 16 total cpu time spent up to now is 12.8 secs Computing kpt #: 17 total cpu time spent up to now is 13.3 secs Computing kpt #: 18 total cpu time spent up to now is 13.7 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.6 secs Computing kpt #: 21 total cpu time spent up to now is 15.0 secs Computing kpt #: 22 total cpu time spent up to now is 15.5 secs Computing kpt #: 23 total cpu time spent up to now is 15.9 secs Computing kpt #: 24 total cpu time spent up to now is 16.4 secs Computing kpt #: 25 total cpu time spent up to now is 16.9 secs Computing kpt #: 26 total cpu time spent up to now is 17.4 secs Computing kpt #: 27 total cpu time spent up to now is 17.9 secs Computing kpt #: 28 total cpu time spent up to now is 18.4 secs Computing kpt #: 29 total cpu time spent up to now is 19.0 secs Computing kpt #: 30 total cpu time spent up to now is 19.7 secs Computing kpt #: 31 total cpu time spent up to now is 20.3 secs Computing kpt #: 32 total cpu time spent up to now is 20.9 secs Computing kpt #: 33 total cpu time spent up to now is 21.5 secs Computing kpt #: 34 total cpu time spent up to now is 21.9 secs Computing kpt #: 35 total cpu time spent up to now is 22.4 secs Computing kpt #: 36 total cpu time spent up to now is 22.8 secs Computing kpt #: 37 total cpu time spent up to now is 23.2 secs Computing kpt #: 38 total cpu time spent up to now is 23.5 secs Computing kpt #: 39 total cpu time spent up to now is 23.9 secs Computing kpt #: 40 total cpu time spent up to now is 24.3 secs Computing kpt #: 41 total cpu time spent up to now is 24.6 secs Computing kpt #: 42 total cpu time spent up to now is 25.0 secs Computing kpt #: 43 total cpu time spent up to now is 25.4 secs Computing kpt #: 44 total cpu time spent up to now is 25.8 secs Computing kpt #: 45 total cpu time spent up to now is 26.2 secs Computing kpt #: 46 total cpu time spent up to now is 26.6 secs Computing kpt #: 47 total cpu time spent up to now is 27.0 secs Computing kpt #: 48 total cpu time spent up to now is 27.3 secs Computing kpt #: 49 total cpu time spent up to now is 27.7 secs Computing kpt #: 50 total cpu time spent up to now is 28.1 secs Computing kpt #: 51 total cpu time spent up to now is 28.5 secs Computing kpt #: 52 total cpu time spent up to now is 28.8 secs Computing kpt #: 53 total cpu time spent up to now is 29.2 secs Computing kpt #: 54 total cpu time spent up to now is 29.5 secs Computing kpt #: 55 total cpu time spent up to now is 29.9 secs Computing kpt #: 56 total cpu time spent up to now is 30.3 secs Computing kpt #: 57 total cpu time spent up to now is 30.7 secs Computing kpt #: 58 total cpu time spent up to now is 31.0 secs Computing kpt #: 59 total cpu time spent up to now is 31.4 secs Computing kpt #: 60 total cpu time spent up to now is 31.8 secs Computing kpt #: 61 total cpu time spent up to now is 32.1 secs Computing kpt #: 62 total cpu time spent up to now is 32.5 secs Computing kpt #: 63 total cpu time spent up to now is 32.9 secs Computing kpt #: 64 total cpu time spent up to now is 33.2 secs Computing kpt #: 65 total cpu time spent up to now is 33.6 secs Computing kpt #: 66 total cpu time spent up to now is 34.0 secs Computing kpt #: 67 total cpu time spent up to now is 34.3 secs Computing kpt #: 68 total cpu time spent up to now is 34.7 secs Computing kpt #: 69 total cpu time spent up to now is 35.1 secs Computing kpt #: 70 total cpu time spent up to now is 35.5 secs Computing kpt #: 71 total cpu time spent up to now is 35.9 secs Computing kpt #: 72 total cpu time spent up to now is 36.3 secs Computing kpt #: 73 total cpu time spent up to now is 36.7 secs Computing kpt #: 74 total cpu time spent up to now is 37.1 secs Computing kpt #: 75 total cpu time spent up to now is 37.5 secs Computing kpt #: 76 total cpu time spent up to now is 37.9 secs Computing kpt #: 77 total cpu time spent up to now is 38.3 secs Computing kpt #: 78 total cpu time spent up to now is 38.7 secs Computing kpt #: 79 total cpu time spent up to now is 39.1 secs Computing kpt #: 80 total cpu time spent up to now is 39.5 secs Computing kpt #: 81 total cpu time spent up to now is 40.0 secs Computing kpt #: 82 total cpu time spent up to now is 40.4 secs Computing kpt #: 83 total cpu time spent up to now is 40.8 secs Computing kpt #: 84 total cpu time spent up to now is 41.2 secs Computing kpt #: 85 total cpu time spent up to now is 41.6 secs Computing kpt #: 86 total cpu time spent up to now is 42.0 secs Computing kpt #: 87 total cpu time spent up to now is 42.4 secs Computing kpt #: 88 total cpu time spent up to now is 42.8 secs Computing kpt #: 89 total cpu time spent up to now is 43.2 secs Computing kpt #: 90 total cpu time spent up to now is 43.6 secs Computing kpt #: 91 total cpu time spent up to now is 44.0 secs Computing kpt #: 92 total cpu time spent up to now is 44.4 secs Computing kpt #: 93 total cpu time spent up to now is 44.8 secs Computing kpt #: 94 total cpu time spent up to now is 45.1 secs Computing kpt #: 95 total cpu time spent up to now is 45.5 secs Computing kpt #: 96 total cpu time spent up to now is 45.9 secs Computing kpt #: 97 total cpu time spent up to now is 46.2 secs Computing kpt #: 98 total cpu time spent up to now is 46.6 secs Computing kpt #: 99 total cpu time spent up to now is 47.3 secs Computing kpt #: 100 total cpu time spent up to now is 47.6 secs Computing kpt #: 101 total cpu time spent up to now is 48.0 secs Computing kpt #: 102 total cpu time spent up to now is 48.3 secs Computing kpt #: 103 total cpu time spent up to now is 48.7 secs Computing kpt #: 104 total cpu time spent up to now is 49.1 secs Computing kpt #: 105 total cpu time spent up to now is 49.4 secs Computing kpt #: 106 total cpu time spent up to now is 49.8 secs Computing kpt #: 107 total cpu time spent up to now is 50.2 secs Computing kpt #: 108 total cpu time spent up to now is 50.5 secs Computing kpt #: 109 total cpu time spent up to now is 50.9 secs Computing kpt #: 110 total cpu time spent up to now is 51.4 secs Computing kpt #: 111 total cpu time spent up to now is 51.8 secs Computing kpt #: 112 total cpu time spent up to now is 52.2 secs Computing kpt #: 113 total cpu time spent up to now is 52.6 secs Computing kpt #: 114 total cpu time spent up to now is 53.1 secs Computing kpt #: 115 total cpu time spent up to now is 53.5 secs Computing kpt #: 116 total cpu time spent up to now is 54.0 secs Computing kpt #: 117 total cpu time spent up to now is 54.5 secs Computing kpt #: 118 total cpu time spent up to now is 55.0 secs Computing kpt #: 119 total cpu time spent up to now is 55.4 secs Computing kpt #: 120 total cpu time spent up to now is 55.9 secs Computing kpt #: 121 total cpu time spent up to now is 56.4 secs Computing kpt #: 122 total cpu time spent up to now is 56.9 secs Computing kpt #: 123 total cpu time spent up to now is 57.3 secs Computing kpt #: 124 total cpu time spent up to now is 57.8 secs Computing kpt #: 125 total cpu time spent up to now is 58.3 secs Computing kpt #: 126 total cpu time spent up to now is 58.7 secs Computing kpt #: 127 total cpu time spent up to now is 59.2 secs Computing kpt #: 128 total cpu time spent up to now is 59.7 secs Computing kpt #: 129 total cpu time spent up to now is 60.1 secs Computing kpt #: 130 total cpu time spent up to now is 60.7 secs Computing kpt #: 131 total cpu time spent up to now is 61.3 secs Computing kpt #: 132 total cpu time spent up to now is 61.8 secs Computing kpt #: 133 total cpu time spent up to now is 62.4 secs Computing kpt #: 134 total cpu time spent up to now is 63.0 secs Computing kpt #: 135 total cpu time spent up to now is 63.8 secs Computing kpt #: 136 total cpu time spent up to now is 64.5 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.6 secs Computing kpt #: 138 total cpu time spent up to now is 66.6 secs Computing kpt #: 139 total cpu time spent up to now is 66.9 secs Computing kpt #: 140 total cpu time spent up to now is 67.2 secs Computing kpt #: 141 total cpu time spent up to now is 67.6 secs Computing kpt #: 142 total cpu time spent up to now is 68.6 secs Computing kpt #: 143 total cpu time spent up to now is 69.6 secs Computing kpt #: 144 total cpu time spent up to now is 70.5 secs Computing kpt #: 145 total cpu time spent up to now is 71.3 secs Computing kpt #: 146 total cpu time spent up to now is 72.1 secs Computing kpt #: 147 total cpu time spent up to now is 72.8 secs Computing kpt #: 148 total cpu time spent up to now is 73.4 secs Computing kpt #: 149 total cpu time spent up to now is 74.0 secs Computing kpt #: 150 total cpu time spent up to now is 74.6 secs Computing kpt #: 151 total cpu time spent up to now is 75.2 secs Computing kpt #: 152 total cpu time spent up to now is 75.7 secs Computing kpt #: 153 total cpu time spent up to now is 76.2 secs Computing kpt #: 154 total cpu time spent up to now is 76.7 secs Computing kpt #: 155 total cpu time spent up to now is 77.3 secs Computing kpt #: 156 total cpu time spent up to now is 77.8 secs Computing kpt #: 157 total cpu time spent up to now is 78.2 secs Computing kpt #: 158 total cpu time spent up to now is 78.7 secs Computing kpt #: 159 total cpu time spent up to now is 79.2 secs Computing kpt #: 160 total cpu time spent up to now is 79.7 secs Computing kpt #: 161 total cpu time spent up to now is 80.1 secs Computing kpt #: 162 total cpu time spent up to now is 80.6 secs Computing kpt #: 163 total cpu time spent up to now is 81.1 secs Computing kpt #: 164 total cpu time spent up to now is 81.5 secs Computing kpt #: 165 total cpu time spent up to now is 82.5 secs Computing kpt #: 166 total cpu time spent up to now is 82.9 secs Computing kpt #: 167 total cpu time spent up to now is 83.4 secs Computing kpt #: 168 total cpu time spent up to now is 83.8 secs Computing kpt #: 169 total cpu time spent up to now is 84.3 secs Computing kpt #: 170 total cpu time spent up to now is 84.7 secs Computing kpt #: 171 total cpu time spent up to now is 85.2 secs Computing kpt #: 172 total cpu time spent up to now is 85.6 secs Computing kpt #: 173 total cpu time spent up to now is 86.1 secs Computing kpt #: 174 total cpu time spent up to now is 86.5 secs Computing kpt #: 175 total cpu time spent up to now is 86.9 secs Computing kpt #: 176 total cpu time spent up to now is 87.4 secs Computing kpt #: 177 total cpu time spent up to now is 87.8 secs Computing kpt #: 178 total cpu time spent up to now is 88.2 secs Computing kpt #: 179 total cpu time spent up to now is 88.6 secs Computing kpt #: 180 total cpu time spent up to now is 89.1 secs Computing kpt #: 181 total cpu time spent up to now is 89.5 secs Computing kpt #: 182 total cpu time spent up to now is 89.9 secs Computing kpt #: 183 total cpu time spent up to now is 90.3 secs Computing kpt #: 184 total cpu time spent up to now is 90.8 secs Computing kpt #: 185 total cpu time spent up to now is 91.2 secs Computing kpt #: 186 total cpu time spent up to now is 91.6 secs Computing kpt #: 187 total cpu time spent up to now is 92.0 secs Computing kpt #: 188 total cpu time spent up to now is 92.4 secs Computing kpt #: 189 total cpu time spent up to now is 92.8 secs Computing kpt #: 190 total cpu time spent up to now is 93.2 secs Computing kpt #: 191 total cpu time spent up to now is 93.6 secs Computing kpt #: 192 total cpu time spent up to now is 94.0 secs Computing kpt #: 193 total cpu time spent up to now is 94.4 secs Computing kpt #: 194 total cpu time spent up to now is 94.8 secs Computing kpt #: 195 total cpu time spent up to now is 95.2 secs Computing kpt #: 196 total cpu time spent up to now is 95.7 secs Computing kpt #: 197 total cpu time spent up to now is 96.1 secs Computing kpt #: 198 total cpu time spent up to now is 96.5 secs Computing kpt #: 199 total cpu time spent up to now is 96.9 secs Computing kpt #: 200 total cpu time spent up to now is 97.3 secs Computing kpt #: 201 total cpu time spent up to now is 97.8 secs Computing kpt #: 202 total cpu time spent up to now is 98.2 secs Computing kpt #: 203 total cpu time spent up to now is 98.6 secs Computing kpt #: 204 total cpu time spent up to now is 99.0 secs Computing kpt #: 205 total cpu time spent up to now is 99.4 secs Computing kpt #: 206 total cpu time spent up to now is 99.8 secs Computing kpt #: 207 total cpu time spent up to now is 100.2 secs Computing kpt #: 208 total cpu time spent up to now is 100.5 secs Computing kpt #: 209 total cpu time spent up to now is 100.8 secs Computing kpt #: 210 total cpu time spent up to now is 101.2 secs Computing kpt #: 211 total cpu time spent up to now is 101.5 secs Computing kpt #: 212 total cpu time spent up to now is 101.8 secs Computing kpt #: 213 total cpu time spent up to now is 102.2 secs Computing kpt #: 214 total cpu time spent up to now is 102.6 secs Computing kpt #: 215 total cpu time spent up to now is 103.0 secs Computing kpt #: 216 total cpu time spent up to now is 103.5 secs Computing kpt #: 217 total cpu time spent up to now is 103.9 secs Computing kpt #: 218 total cpu time spent up to now is 104.3 secs Computing kpt #: 219 total cpu time spent up to now is 104.7 secs Computing kpt #: 220 total cpu time spent up to now is 105.2 secs Computing kpt #: 221 total cpu time spent up to now is 105.6 secs Computing kpt #: 222 total cpu time spent up to now is 106.0 secs Computing kpt #: 223 total cpu time spent up to now is 106.5 secs Computing kpt #: 224 total cpu time spent up to now is 106.9 secs Computing kpt #: 225 total cpu time spent up to now is 107.3 secs Computing kpt #: 226 total cpu time spent up to now is 107.8 secs Computing kpt #: 227 total cpu time spent up to now is 108.2 secs Computing kpt #: 228 total cpu time spent up to now is 108.6 secs Computing kpt #: 229 total cpu time spent up to now is 108.9 secs Computing kpt #: 230 total cpu time spent up to now is 109.3 secs Computing kpt #: 231 total cpu time spent up to now is 109.7 secs Computing kpt #: 232 total cpu time spent up to now is 110.0 secs Computing kpt #: 233 total cpu time spent up to now is 110.4 secs Computing kpt #: 234 total cpu time spent up to now is 110.7 secs Computing kpt #: 235 total cpu time spent up to now is 111.1 secs Computing kpt #: 236 total cpu time spent up to now is 111.4 secs Computing kpt #: 237 total cpu time spent up to now is 111.7 secs Computing kpt #: 238 total cpu time spent up to now is 112.1 secs Computing kpt #: 239 total cpu time spent up to now is 112.4 secs Computing kpt #: 240 total cpu time spent up to now is 112.7 secs Computing kpt #: 241 total cpu time spent up to now is 113.0 secs Computing kpt #: 242 total cpu time spent up to now is 113.4 secs Computing kpt #: 243 total cpu time spent up to now is 113.7 secs Computing kpt #: 244 total cpu time spent up to now is 114.0 secs Computing kpt #: 245 total cpu time spent up to now is 114.3 secs Computing kpt #: 246 total cpu time spent up to now is 114.6 secs Computing kpt #: 247 total cpu time spent up to now is 115.0 secs Computing kpt #: 248 total cpu time spent up to now is 115.3 secs Computing kpt #: 249 total cpu time spent up to now is 115.6 secs Computing kpt #: 250 total cpu time spent up to now is 116.0 secs Computing kpt #: 251 total cpu time spent up to now is 116.3 secs Computing kpt #: 252 total cpu time spent up to now is 116.7 secs Computing kpt #: 253 total cpu time spent up to now is 117.1 secs Computing kpt #: 254 total cpu time spent up to now is 117.6 secs Computing kpt #: 255 total cpu time spent up to now is 118.0 secs Computing kpt #: 256 total cpu time spent up to now is 118.5 secs Computing kpt #: 257 total cpu time spent up to now is 119.0 secs Computing kpt #: 258 total cpu time spent up to now is 119.4 secs Computing kpt #: 259 total cpu time spent up to now is 119.9 secs Computing kpt #: 260 total cpu time spent up to now is 120.3 secs Computing kpt #: 261 total cpu time spent up to now is 120.7 secs Computing kpt #: 262 total cpu time spent up to now is 121.2 secs Computing kpt #: 263 total cpu time spent up to now is 121.6 secs Computing kpt #: 264 total cpu time spent up to now is 122.0 secs Computing kpt #: 265 total cpu time spent up to now is 122.4 secs Computing kpt #: 266 total cpu time spent up to now is 122.8 secs Computing kpt #: 267 total cpu time spent up to now is 123.2 secs Computing kpt #: 268 total cpu time spent up to now is 123.6 secs Computing kpt #: 269 total cpu time spent up to now is 124.0 secs Computing kpt #: 270 total cpu time spent up to now is 124.5 secs Computing kpt #: 271 total cpu time spent up to now is 125.1 secs Computing kpt #: 272 total cpu time spent up to now is 125.7 secs Computing kpt #: 273 total cpu time spent up to now is 126.3 secs Computing kpt #: 274 total cpu time spent up to now is 126.9 secs Computing kpt #: 275 total cpu time spent up to now is 127.5 secs Computing kpt #: 276 total cpu time spent up to now is 128.1 secs Computing kpt #: 277 total cpu time spent up to now is 128.9 secs Computing kpt #: 278 total cpu time spent up to now is 129.7 secs Computing kpt #: 279 total cpu time spent up to now is 130.2 secs Computing kpt #: 280 total cpu time spent up to now is 130.7 secs Computing kpt #: 281 total cpu time spent up to now is 131.2 secs Computing kpt #: 282 total cpu time spent up to now is 131.7 secs Computing kpt #: 283 total cpu time spent up to now is 132.2 secs Computing kpt #: 284 total cpu time spent up to now is 132.7 secs Computing kpt #: 285 total cpu time spent up to now is 133.2 secs Computing kpt #: 286 total cpu time spent up to now is 133.6 secs Computing kpt #: 287 total cpu time spent up to now is 134.1 secs Computing kpt #: 288 total cpu time spent up to now is 134.5 secs Computing kpt #: 289 total cpu time spent up to now is 134.9 secs Computing kpt #: 290 total cpu time spent up to now is 135.4 secs Computing kpt #: 291 total cpu time spent up to now is 135.8 secs Computing kpt #: 292 total cpu time spent up to now is 136.3 secs Computing kpt #: 293 total cpu time spent up to now is 136.7 secs Computing kpt #: 294 total cpu time spent up to now is 137.1 secs Computing kpt #: 295 total cpu time spent up to now is 137.6 secs Computing kpt #: 296 total cpu time spent up to now is 138.0 secs Computing kpt #: 297 total cpu time spent up to now is 138.4 secs Computing kpt #: 298 total cpu time spent up to now is 138.8 secs Computing kpt #: 299 total cpu time spent up to now is 139.2 secs Computing kpt #: 300 total cpu time spent up to now is 139.6 secs Computing kpt #: 301 total cpu time spent up to now is 140.1 secs Computing kpt #: 302 total cpu time spent up to now is 140.5 secs Computing kpt #: 303 total cpu time spent up to now is 140.8 secs Computing kpt #: 304 total cpu time spent up to now is 141.2 secs Computing kpt #: 305 total cpu time spent up to now is 141.5 secs Computing kpt #: 306 total cpu time spent up to now is 141.9 secs Computing kpt #: 307 total cpu time spent up to now is 142.2 secs ethr = 2.27E-08, avg # of iterations = 28.7 total cpu time spent up to now is 142.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2469 PWs) bands (ev): -4.7176 -4.7176 -4.7176 -4.7176 -3.6969 -3.6969 -3.6969 -3.6969 -3.6860 -3.6860 5.8066 5.8066 10.5993 10.5993 11.9100 11.9100 11.9100 11.9100 12.0138 12.0138 12.1119 12.1119 12.1119 12.1119 14.9542 14.9542 14.9542 14.9542 15.5063 15.5063 16.4124 16.4124 16.5370 16.5370 16.5370 16.5370 16.6662 16.6662 16.6662 16.6662 17.5279 17.5279 17.5826 17.5826 18.2389 18.2389 18.2389 18.2389 20.9174 20.9174 24.1639 24.1639 k = 0.0000 0.0125-0.0000 ( 2469 PWs) bands (ev): -4.7176 -4.7176 -4.7175 -4.7175 -3.6969 -3.6969 -3.6969 -3.6969 -3.6860 -3.6860 5.8083 5.8083 10.6004 10.6004 11.9092 11.9092 11.9111 11.9111 12.0143 12.0143 12.1120 12.1120 12.1126 12.1126 14.9487 14.9487 14.9521 14.9521 15.5022 15.5022 16.4136 16.4136 16.5237 16.5237 16.5362 16.5362 16.6691 16.6691 16.6712 16.6712 17.5263 17.5263 17.5862 17.5862 18.2400 18.2400 18.2406 18.2406 20.9229 20.9229 24.1560 24.1561 k = 0.0000 0.0250-0.0000 ( 2469 PWs) bands (ev): -4.7175 -4.7175 -4.7174 -4.7174 -3.6969 -3.6969 -3.6967 -3.6967 -3.6859 -3.6859 5.8136 5.8136 10.6040 10.6040 11.9068 11.9068 11.9146 11.9146 12.0156 12.0156 12.1125 12.1125 12.1150 12.1150 14.9328 14.9328 14.9460 14.9460 15.4902 15.4902 16.4136 16.4136 16.4913 16.4913 16.5339 16.5339 16.6742 16.6742 16.6854 16.6854 17.5213 17.5213 17.5969 17.5969 18.2432 18.2432 18.2455 18.2455 20.9390 20.9390 24.1334 24.1334 k = 0.0000 0.0375-0.0000 ( 2453 PWs) bands (ev): -4.7174 -4.7174 -4.7172 -4.7172 -3.6968 -3.6968 -3.6964 -3.6964 -3.6858 -3.6858 5.8224 5.8224 10.6098 10.6098 11.9026 11.9026 11.9204 11.9204 12.0178 12.0178 12.1135 12.1135 12.1188 12.1188 14.9069 14.9069 14.9356 14.9356 15.4714 15.4714 16.3919 16.3919 16.4657 16.4657 16.5305 16.5305 16.6770 16.6770 16.7074 16.7074 17.5132 17.5132 17.6137 17.6137 18.2489 18.2489 18.2539 18.2539 20.9645 20.9645 24.0999 24.0999 k = 0.0000 0.0500-0.0000 ( 2461 PWs) bands (ev): -4.7173 -4.7173 -4.7170 -4.7170 -3.6966 -3.6966 -3.6961 -3.6961 -3.6857 -3.6857 5.8347 5.8347 10.6180 10.6180 11.8965 11.8965 11.9284 11.9284 12.0209 12.0209 12.1150 12.1150 12.1244 12.1244 14.8723 14.8723 14.9211 14.9211 15.4472 15.4472 16.3309 16.3309 16.4669 16.4669 16.5260 16.5260 16.6760 16.6760 16.7351 16.7351 17.5018 17.5018 17.6353 17.6353 18.2579 18.2579 18.2659 18.2659 20.9975 20.9975 24.0604 24.0604 k = 0.0000 0.0625-0.0000 ( 2461 PWs) bands (ev): -4.7172 -4.7172 -4.7167 -4.7167 -3.6965 -3.6965 -3.6956 -3.6956 -3.6856 -3.6856 5.8505 5.8505 10.6283 10.6283 11.8881 11.8881 11.9385 11.9385 12.0248 12.0248 12.1172 12.1172 12.1316 12.1316 14.8303 14.8303 14.9024 14.9024 15.4192 15.4192 16.2495 16.2495 16.4768 16.4768 16.5205 16.5205 16.6714 16.6714 16.7661 16.7661 17.4872 17.4872 17.6607 17.6607 18.2709 18.2709 18.2819 18.2819 21.0355 21.0355 24.0199 24.0199 k = 0.0000 0.0750-0.0000 ( 2461 PWs) bands (ev): -4.7170 -4.7170 -4.7163 -4.7163 -3.6963 -3.6963 -3.6950 -3.6950 -3.6854 -3.6854 5.8698 5.8698 10.6408 10.6408 11.8772 11.8772 11.9504 11.9504 12.0295 12.0295 12.1203 12.1203 12.1407 12.1407 14.7821 14.7821 14.8796 14.8796 15.3889 15.3889 16.1569 16.1569 16.4863 16.4863 16.5140 16.5140 16.6641 16.6641 16.7982 16.7982 17.4694 17.4694 17.6887 17.6887 18.2889 18.2889 18.3024 18.3024 21.0754 21.0754 23.9833 23.9833 k = 0.0000 0.0875-0.0000 ( 2461 PWs) bands (ev): -4.7168 -4.7168 -4.7158 -4.7158 -3.6961 -3.6961 -3.6943 -3.6943 -3.6852 -3.6852 5.8926 5.8926 10.6554 10.6554 11.8636 11.8636 11.9641 11.9641 12.0350 12.0350 12.1244 12.1244 12.1518 12.1518 14.7290 14.7290 14.8527 14.8527 15.3575 15.3575 16.0565 16.0565 16.4914 16.4914 16.5063 16.5063 16.6554 16.6554 16.8291 16.8291 17.4486 17.4486 17.7184 17.7184 18.3131 18.3131 18.3282 18.3282 21.1140 21.1140 23.9551 23.9551 k = 0.0000 0.1000-0.0000 ( 2465 PWs) bands (ev): -4.7166 -4.7166 -4.7153 -4.7153 -3.6958 -3.6958 -3.6935 -3.6935 -3.6850 -3.6850 5.9188 5.9188 10.6718 10.6718 11.8469 11.8469 11.9792 11.9792 12.0412 12.0412 12.1297 12.1297 12.1651 12.1651 14.6722 14.6722 14.8221 14.8221 15.3260 15.3260 15.9506 15.9506 16.4896 16.4896 16.4974 16.4974 16.6461 16.6461 16.8569 16.8569 17.4249 17.4249 17.7489 17.7489 18.3445 18.3445 18.3602 18.3602 21.1477 21.1477 23.9393 23.9393 k = 0.0000 0.1125-0.0000 ( 2465 PWs) bands (ev): -4.7164 -4.7164 -4.7147 -4.7147 -3.6956 -3.6956 -3.6927 -3.6927 -3.6847 -3.6847 5.9485 5.9485 10.6899 10.6899 11.8269 11.8269 11.9955 11.9955 12.0481 12.0481 12.1362 12.1362 12.1808 12.1808 14.6128 14.6128 14.7882 14.7882 15.2951 15.2951 15.8413 15.8413 16.4799 16.4799 16.4870 16.4870 16.6365 16.6365 16.8798 16.8798 17.3983 17.3983 17.7791 17.7791 18.3841 18.3841 18.3994 18.3994 21.1732 21.1732 23.9391 23.9391 k = 0.0000 0.1250-0.0000 ( 2445 PWs) bands (ev): -4.7161 -4.7161 -4.7140 -4.7140 -3.6953 -3.6953 -3.6917 -3.6917 -3.6844 -3.6844 5.9816 5.9816 10.7096 10.7096 11.8036 11.8036 12.0126 12.0126 12.0558 12.0558 12.1439 12.1439 12.1992 12.1992 14.5516 14.5516 14.7515 14.7515 15.2653 15.2653 15.7300 15.7300 16.4621 16.4621 16.4749 16.4749 16.6258 16.6258 16.8966 16.8966 17.3692 17.3692 17.8081 17.8081 18.4327 18.4327 18.4469 18.4469 21.1880 21.1880 23.9570 23.9570 k = 0.0000 0.1375-0.0000 ( 2445 PWs) bands (ev): -4.7158 -4.7158 -4.7133 -4.7133 -3.6949 -3.6949 -3.6907 -3.6907 -3.6841 -3.6841 6.0181 6.0181 10.7305 10.7305 11.7768 11.7768 12.0302 12.0302 12.0640 12.0640 12.1528 12.1528 12.2205 12.2205 14.4893 14.4893 14.7126 14.7126 15.2365 15.2365 15.6182 15.6182 16.4373 16.4373 16.4611 16.4611 16.6129 16.6129 16.9064 16.9064 17.3377 17.3377 17.8351 17.8351 18.4907 18.4907 18.5033 18.5033 21.1901 21.1901 23.9942 23.9942 k = 0.0000 0.1500-0.0000 ( 2445 PWs) bands (ev): -4.7155 -4.7155 -4.7126 -4.7126 -3.6946 -3.6946 -3.6896 -3.6896 -3.6837 -3.6837 6.0579 6.0579 10.7521 10.7521 11.7466 11.7466 12.0479 12.0479 12.0729 12.0729 12.1628 12.1628 12.2449 12.2449 14.4268 14.4268 14.6723 14.6723 15.2090 15.2090 15.5072 15.5072 16.4068 16.4068 16.4453 16.4453 16.5966 16.5966 16.9087 16.9087 17.3043 17.3043 17.8593 17.8593 18.5581 18.5581 18.5692 18.5692 21.1787 21.1787 24.0509 24.0509 k = 0.0000 0.1625-0.0000 ( 2449 PWs) bands (ev): -4.7152 -4.7152 -4.7118 -4.7118 -3.6942 -3.6942 -3.6884 -3.6884 -3.6834 -3.6834 6.1010 6.1010 10.7740 10.7740 11.7133 11.7133 12.0655 12.0655 12.0823 12.0823 12.1739 12.1739 12.2725 12.2725 14.3646 14.3646 14.6312 14.6312 15.1825 15.1825 15.3979 15.3979 16.3716 16.3716 16.4273 16.4273 16.5762 16.5762 16.9035 16.9035 17.2694 17.2694 17.8805 17.8805 18.6347 18.6347 18.6444 18.6444 21.1540 21.1540 24.1079 24.1080 k = 0.0000 0.1750-0.0000 ( 2445 PWs) bands (ev): -4.7148 -4.7148 -4.7110 -4.7110 -3.6938 -3.6938 -3.6872 -3.6872 -3.6830 -3.6830 6.1474 6.1474 10.7955 10.7955 11.6772 11.6772 12.0823 12.0823 12.0927 12.0927 12.1859 12.1859 12.3033 12.3033 14.3034 14.3034 14.5898 14.5898 15.1570 15.1570 15.2913 15.2913 16.3326 16.3326 16.4069 16.4069 16.5513 16.5513 16.8908 16.8908 17.2337 17.2337 17.8986 17.8986 18.7199 18.7199 18.7286 18.7286 21.1171 21.1171 24.0998 24.0998 k = 0.0000 0.1875-0.0000 ( 2437 PWs) bands (ev): -4.7145 -4.7145 -4.7101 -4.7101 -3.6934 -3.6934 -3.6859 -3.6859 -3.6826 -3.6826 6.1971 6.1971 10.8155 10.8155 11.6391 11.6391 12.0973 12.0973 12.1050 12.1050 12.1988 12.1988 12.3373 12.3373 14.2435 14.2435 14.5489 14.5489 15.1325 15.1325 15.1881 15.1881 16.2904 16.2904 16.3839 16.3839 16.5220 16.5220 16.8708 16.8708 17.1977 17.1977 17.9139 17.9139 18.8132 18.8132 18.8211 18.8211 21.0695 21.0695 24.0913 24.0913 k = 0.0000 0.2000-0.0000 ( 2437 PWs) bands (ev): -4.7141 -4.7141 -4.7092 -4.7092 -3.6930 -3.6930 -3.6846 -3.6846 -3.6822 -3.6822 6.2499 6.2499 10.8327 10.8327 11.6001 11.6001 12.1094 12.1094 12.1200 12.1200 12.2123 12.2123 12.3744 12.3744 14.1855 14.1855 14.5089 14.5089 15.0888 15.0888 15.1086 15.1086 16.2456 16.2456 16.3582 16.3582 16.4884 16.4884 16.8440 16.8440 17.1623 17.1623 17.9266 17.9266 18.9137 18.9137 18.9210 18.9210 21.0132 21.0132 24.0824 24.0824 k = 0.0000 0.2125-0.0000 ( 2437 PWs) bands (ev): -4.7137 -4.7137 -4.7083 -4.7083 -3.6926 -3.6926 -3.6833 -3.6833 -3.6818 -3.6818 6.3059 6.3059 10.8451 10.8451 11.5619 11.5619 12.1204 12.1204 12.1361 12.1361 12.2264 12.2264 12.4143 12.4143 14.1297 14.1297 14.4703 14.4703 14.9940 14.9940 15.0855 15.0855 16.1987 16.1987 16.3296 16.3296 16.4508 16.4508 16.8104 16.8104 17.1283 17.1283 17.9372 17.9372 19.0206 19.0206 19.0274 19.0274 20.9499 20.9499 24.0732 24.0732 k = 0.0000 0.2250-0.0000 ( 2433 PWs) bands (ev): -4.7133 -4.7133 -4.7074 -4.7074 -3.6922 -3.6922 -3.6819 -3.6819 -3.6814 -3.6814 6.3649 6.3649 10.8505 10.8505 11.5268 11.5268 12.1312 12.1312 12.1522 12.1522 12.2410 12.2410 12.4568 12.4568 14.0767 14.0767 14.4334 14.4334 14.9039 14.9039 15.0631 15.0631 16.1501 16.1501 16.2981 16.2981 16.4096 16.4096 16.7706 16.7706 17.0962 17.0962 17.9460 17.9460 19.1334 19.1334 19.1395 19.1395 20.8817 20.8817 24.0637 24.0637 k = 0.0000 0.2375-0.0000 ( 2433 PWs) bands (ev): -4.7129 -4.7129 -4.7064 -4.7064 -3.6917 -3.6917 -3.6809 -3.6809 -3.6805 -3.6805 6.4268 6.4268 10.8458 10.8458 11.4976 11.4976 12.1418 12.1418 12.1681 12.1681 12.2558 12.2558 12.5017 12.5017 14.0267 14.0267 14.3987 14.3987 14.8186 14.8186 15.0413 15.0413 16.1002 16.1002 16.2637 16.2637 16.3651 16.3651 16.7248 16.7248 17.0666 17.0666 17.9533 17.9533 19.2514 19.2514 19.2563 19.2563 20.8101 20.8101 24.0540 24.0540 k = 0.0000 0.2500-0.0000 ( 2425 PWs) bands (ev): -4.7125 -4.7125 -4.7055 -4.7055 -3.6913 -3.6913 -3.6805 -3.6805 -3.6791 -3.6791 6.4917 6.4917 10.8282 10.8282 11.4773 11.4773 12.1523 12.1523 12.1838 12.1838 12.2709 12.2709 12.5488 12.5488 13.9802 13.9802 14.3663 14.3663 14.7383 14.7383 15.0203 15.0203 16.0494 16.0494 16.2265 16.2265 16.3178 16.3178 16.6738 16.6738 17.0397 17.0397 17.9594 17.9594 19.3738 19.3738 19.3771 19.3771 20.7368 20.7368 24.0440 24.0440 k = 0.0000 0.2625-0.0000 ( 2425 PWs) bands (ev): -4.7122 -4.7122 -4.7045 -4.7045 -3.6909 -3.6909 -3.6800 -3.6800 -3.6777 -3.6777 6.5594 6.5594 10.7957 10.7957 11.4678 11.4678 12.1626 12.1626 12.1992 12.1992 12.2859 12.2859 12.5977 12.5977 13.9372 13.9372 14.3366 14.3366 14.6629 14.6629 15.0001 15.0001 15.9982 15.9982 16.1867 16.1867 16.2680 16.2680 16.6181 16.6181 17.0155 17.0155 17.9645 17.9645 19.5003 19.5003 19.5009 19.5009 20.6633 20.6633 24.0337 24.0337 k = 0.0000 0.2750-0.0000 ( 2421 PWs) bands (ev): -4.7118 -4.7118 -4.7036 -4.7036 -3.6904 -3.6904 -3.6796 -3.6796 -3.6763 -3.6763 6.6297 6.6297 10.7480 10.7480 11.4695 11.4695 12.1727 12.1727 12.2144 12.2144 12.3009 12.3009 12.6481 12.6481 13.8981 13.8981 14.3097 14.3097 14.5923 14.5923 14.9807 14.9807 15.9468 15.9468 16.1445 16.1445 16.2163 16.2163 16.5585 16.5585 16.9939 16.9939 17.9688 17.9688 19.6267 19.6267 19.6303 19.6303 20.5910 20.5910 24.0231 24.0231 k = 0.0000 0.2875-0.0000 ( 2421 PWs) bands (ev): -4.7114 -4.7114 -4.7027 -4.7027 -3.6900 -3.6900 -3.6792 -3.6792 -3.6749 -3.6749 6.7026 6.7026 10.6865 10.6865 11.4815 11.4815 12.1824 12.1824 12.2293 12.2293 12.3156 12.3156 12.6998 12.6998 13.8630 13.8630 14.2858 14.2858 14.5262 14.5262 14.9623 14.9623 15.8957 15.8957 16.1003 16.1003 16.1629 16.1629 16.4955 16.4955 16.9747 16.9747 17.9724 17.9724 19.7531 19.7531 19.7635 19.7635 20.5217 20.5217 24.0121 24.0121 k = 0.0000 0.3000-0.0000 ( 2429 PWs) bands (ev): -4.7110 -4.7110 -4.7018 -4.7018 -3.6896 -3.6896 -3.6787 -3.6787 -3.6736 -3.6736 6.7779 6.7779 10.6132 10.6132 11.5018 11.5018 12.1917 12.1917 12.2438 12.2438 12.3300 12.3300 12.7524 12.7524 13.8320 13.8320 14.2651 14.2651 14.4645 14.4645 14.9450 14.9450 15.8453 15.8453 16.0545 16.0545 16.1084 16.1084 16.4299 16.4299 16.9579 16.9579 17.9756 17.9756 19.8775 19.8775 19.8994 19.8994 20.4583 20.4583 24.0002 24.0002 k = 0.0000 0.3125-0.0000 ( 2433 PWs) bands (ev): -4.7106 -4.7106 -4.7009 -4.7009 -3.6892 -3.6892 -3.6783 -3.6783 -3.6722 -3.6722 6.8554 6.8554 10.5305 10.5305 11.5282 11.5282 12.2004 12.2004 12.2579 12.2579 12.3438 12.3438 12.8056 12.8056 13.8051 13.8051 14.2475 14.2475 14.4069 14.4069 14.9288 14.9288 15.7960 15.7960 16.0073 16.0073 16.0532 16.0532 16.3623 16.3623 16.9430 16.9430 17.9783 17.9783 19.9938 19.9938 20.0377 20.0377 20.4069 20.4069 23.9869 23.9869 k = 0.0000 0.3250-0.0000 ( 2433 PWs) bands (ev): -4.7103 -4.7103 -4.7000 -4.7000 -3.6888 -3.6888 -3.6779 -3.6779 -3.6710 -3.6710 6.9349 6.9349 10.4405 10.4405 11.5592 11.5592 12.2087 12.2087 12.2717 12.2717 12.3572 12.3572 12.8589 12.8589 13.7822 13.7822 14.2333 14.2333 14.3531 14.3531 14.9141 14.9141 15.7481 15.7481 15.9592 15.9592 15.9977 15.9977 16.2933 16.2933 16.9300 16.9300 17.9806 17.9806 20.0846 20.0846 20.1781 20.1781 20.3848 20.3848 23.9700 23.9700 k = 0.0000 0.3375-0.0000 ( 2436 PWs) bands (ev): -4.7099 -4.7099 -4.6992 -4.6992 -3.6884 -3.6884 -3.6775 -3.6775 -3.6697 -3.6697 7.0161 7.0161 10.3452 10.3452 11.5930 11.5930 12.2163 12.2163 12.2849 12.2849 12.3698 12.3698 12.9119 12.9119 13.7634 13.7634 14.2223 14.2223 14.3029 14.3029 14.9008 14.9008 15.7021 15.7021 15.9107 15.9107 15.9424 15.9424 16.2236 16.2236 16.9186 16.9186 17.9827 17.9827 20.1184 20.1184 20.3203 20.3203 20.4236 20.4236 23.9441 23.9441 k = 0.0000 0.3500-0.0000 ( 2432 PWs) bands (ev): -4.7096 -4.7096 -4.6984 -4.6984 -3.6881 -3.6881 -3.6772 -3.6772 -3.6685 -3.6685 7.0988 7.0988 10.2459 10.2459 11.6285 11.6285 12.2234 12.2234 12.2976 12.2976 12.3818 12.3818 12.9641 12.9641 13.7485 13.7485 14.2145 14.2145 14.2559 14.2559 14.8891 14.8891 15.6583 15.6583 15.8621 15.8621 15.8877 15.8877 16.1540 16.1540 16.9087 16.9087 17.9845 17.9845 20.0994 20.0994 20.4640 20.4640 20.5188 20.5188 23.8945 23.8945 k = 0.0000 0.3625-0.0000 ( 2424 PWs) bands (ev): -4.7093 -4.7093 -4.6977 -4.6977 -3.6877 -3.6877 -3.6768 -3.6768 -3.6674 -3.6674 7.1825 7.1825 10.1443 10.1443 11.6647 11.6647 12.2298 12.2298 12.3097 12.3097 12.3930 12.3930 13.0151 13.0151 13.7373 13.7373 14.2100 14.2100 14.2120 14.2120 14.8792 14.8792 15.6171 15.6171 15.8138 15.8138 15.8341 15.8341 16.0850 16.0850 16.9001 16.9001 17.9860 17.9860 20.0604 20.0604 20.6090 20.6090 20.6374 20.6374 23.8094 23.8094 k = 0.0000 0.3750-0.0000 ( 2424 PWs) bands (ev): -4.7090 -4.7090 -4.6970 -4.6970 -3.6874 -3.6874 -3.6765 -3.6765 -3.6664 -3.6664 7.2667 7.2667 10.0415 10.0415 11.7007 11.7007 12.2355 12.2355 12.3210 12.3210 12.4034 12.4034 13.0643 13.0643 13.7295 13.7295 14.1709 14.1709 14.2084 14.2084 14.8711 14.8711 15.5789 15.5789 15.7662 15.7662 15.7821 15.7821 16.0175 16.0175 16.8926 16.8926 17.9875 17.9875 20.0168 20.0168 20.7548 20.7548 20.7632 20.7632 23.7012 23.7012 k = 0.0000 0.3875-0.0000 ( 2416 PWs) bands (ev): -4.7087 -4.7087 -4.6963 -4.6963 -3.6871 -3.6871 -3.6762 -3.6762 -3.6654 -3.6654 7.3508 7.3508 9.9389 9.9389 11.7357 11.7357 12.2406 12.2406 12.3316 12.3316 12.4130 12.4130 13.1110 13.1110 13.7250 13.7250 14.1325 14.1325 14.2097 14.2097 14.8649 14.8649 15.5441 15.5441 15.7196 15.7196 15.7322 15.7322 15.9525 15.9525 16.8861 16.8861 17.9887 17.9887 19.9738 19.9738 20.8903 20.8903 20.9013 20.9013 23.5823 23.5823 k = 0.0000 0.4000-0.0000 ( 2416 PWs) bands (ev): -4.7085 -4.7085 -4.6957 -4.6957 -3.6869 -3.6869 -3.6759 -3.6759 -3.6645 -3.6645 7.4341 7.4341 9.8379 9.8379 11.7690 11.7690 12.2450 12.2450 12.3414 12.3414 12.4218 12.4218 13.1547 13.1547 13.7234 13.7234 14.0968 14.0968 14.2134 14.2134 14.8606 14.8606 15.5129 15.5129 15.6742 15.6742 15.6849 15.6849 15.8909 15.8909 16.8806 16.8806 17.9898 17.9898 19.9336 19.9336 21.0158 21.0158 21.0480 21.0480 23.4574 23.4574 k = 0.0000 0.4125-0.0000 ( 2424 PWs) bands (ev): -4.7083 -4.7083 -4.6952 -4.6952 -3.6866 -3.6866 -3.6757 -3.6757 -3.6638 -3.6638 7.5154 7.5154 9.7399 9.7399 11.7999 11.7999 12.2488 12.2488 12.3502 12.3502 12.4297 12.4297 13.1949 13.1949 13.7244 13.7244 14.0636 14.0636 14.2193 14.2193 14.8583 14.8583 15.4856 15.4856 15.6306 15.6306 15.6406 15.6406 15.8338 15.8338 16.8759 16.8759 17.9907 17.9907 19.8971 19.8971 21.1374 21.1374 21.1945 21.1945 23.3287 23.3287 k = 0.0000 0.4250-0.0000 ( 2412 PWs) bands (ev): -4.7081 -4.7081 -4.6948 -4.6948 -3.6864 -3.6864 -3.6754 -3.6754 -3.6631 -3.6631 7.5935 7.5935 9.6466 9.6466 11.8280 11.8280 12.2521 12.2521 12.3580 12.3580 12.4368 12.4368 13.2309 13.2309 13.7276 13.7276 14.0331 14.0331 14.2267 14.2267 14.8577 14.8577 15.4626 15.4626 15.5890 15.5890 15.5999 15.5999 15.7824 15.7824 16.8719 16.8719 17.9916 17.9916 19.8648 19.8648 21.2527 21.2527 21.3401 21.3401 23.1978 23.1978 k = 0.0000 0.4375-0.0000 ( 2404 PWs) bands (ev): -4.7079 -4.7079 -4.6944 -4.6944 -3.6862 -3.6862 -3.6752 -3.6752 -3.6625 -3.6625 7.6667 7.6667 9.5602 9.5602 11.8527 11.8527 12.2547 12.2547 12.3647 12.3647 12.4429 12.4429 13.2623 13.2623 13.7325 13.7325 14.0056 14.0056 14.2350 14.2350 14.8586 14.8586 15.4440 15.4440 15.5503 15.5503 15.5633 15.5633 15.7375 15.7375 16.8687 16.8687 17.9922 17.9922 19.8371 19.8371 21.3594 21.3594 21.4840 21.4840 23.0659 23.0659 k = 0.0000 0.4500-0.0000 ( 2404 PWs) bands (ev): -4.7078 -4.7078 -4.6940 -4.6940 -3.6861 -3.6861 -3.6751 -3.6751 -3.6620 -3.6620 7.7326 7.7326 9.4830 9.4830 11.8735 11.8735 12.2568 12.2568 12.3703 12.3703 12.4481 12.4481 13.2885 13.2885 13.7385 13.7385 13.9813 13.9813 14.2434 14.2434 14.8607 14.8607 15.4299 15.4299 15.5155 15.5155 15.5313 15.5313 15.7002 15.7002 16.8661 16.8661 17.9928 17.9928 19.8142 19.8142 21.4544 21.4544 21.6246 21.6246 22.9348 22.9348 k = 0.0000 0.4625-0.0000 ( 2404 PWs) bands (ev): -4.7077 -4.7077 -4.6938 -4.6938 -3.6860 -3.6860 -3.6750 -3.6750 -3.6616 -3.6616 7.7888 7.7888 9.4179 9.4179 11.8900 11.8900 12.2584 12.2584 12.3747 12.3747 12.4523 12.4523 13.3093 13.3093 13.7449 13.7449 13.9608 13.9608 14.2511 14.2511 14.8634 14.8634 15.4203 15.4203 15.4859 15.4859 15.5045 15.5045 15.6708 15.6708 16.8642 16.8642 17.9933 17.9933 19.7963 19.7963 21.5343 21.5343 21.7589 21.7589 22.8076 22.8076 k = 0.0000 0.4750-0.0000 ( 2404 PWs) bands (ev): -4.7076 -4.7076 -4.6936 -4.6936 -3.6859 -3.6859 -3.6749 -3.6749 -3.6613 -3.6613 7.8321 7.8321 9.3680 9.3680 11.9021 11.9021 12.2596 12.2596 12.3779 12.3779 12.4553 12.4553 13.3243 13.3243 13.7507 13.7507 13.9450 13.9450 14.2574 14.2574 14.8661 14.8661 15.4147 15.4147 15.4631 15.4631 15.4837 15.4837 15.6497 15.6497 16.8628 16.8628 17.9936 17.9936 19.7834 19.7834 21.5953 21.5953 21.8808 21.8808 22.6908 22.6908 k = 0.0000 0.4875-0.0000 ( 2416 PWs) bands (ev): -4.7076 -4.7076 -4.6935 -4.6935 -3.6858 -3.6858 -3.6748 -3.6748 -3.6612 -3.6612 7.8597 7.8597 9.3366 9.3366 11.9094 11.9094 12.2602 12.2602 12.3798 12.3798 12.4572 12.4572 13.3334 13.3334 13.7549 13.7549 13.9348 13.9348 14.2614 14.2614 14.8680 14.8680 15.4124 15.4124 15.4487 15.4487 15.4701 15.4701 15.6370 15.6370 16.8620 16.8620 17.9938 17.9938 19.7757 19.7757 21.6337 21.6337 21.9755 21.9755 22.5991 22.5991 k = 0.0000 0.5000-0.0000 ( 2416 PWs) bands (ev): -4.7076 -4.7076 -4.6934 -4.6934 -3.6858 -3.6858 -3.6748 -3.6748 -3.6611 -3.6611 7.8691 7.8691 9.3258 9.3258 11.9118 11.9118 12.2604 12.2604 12.3805 12.3805 12.4578 12.4578 13.3364 13.3364 13.7564 13.7564 13.9313 13.9313 14.2628 14.2628 14.8687 14.8687 15.4118 15.4118 15.4438 15.4438 15.4652 15.4652 15.6328 15.6328 16.8617 16.8617 17.9938 17.9938 19.7731 19.7731 21.6468 21.6468 22.0142 22.0142 22.5614 22.5614 k = 0.0000 0.5000-0.0000 ( 2416 PWs) bands (ev): -4.7076 -4.7076 -4.6934 -4.6934 -3.6858 -3.6858 -3.6748 -3.6748 -3.6611 -3.6611 7.8691 7.8691 9.3258 9.3258 11.9118 11.9118 12.2604 12.2604 12.3805 12.3805 12.4578 12.4578 13.3364 13.3364 13.7564 13.7564 13.9313 13.9313 14.2628 14.2628 14.8687 14.8687 15.4118 15.4118 15.4438 15.4438 15.4652 15.4652 15.6328 15.6328 16.8617 16.8617 17.9938 17.9938 19.7731 19.7731 21.6468 21.6468 22.0142 22.0142 22.5614 22.5614 k = 0.0125 0.5000-0.0000 ( 2416 PWs) bands (ev): -4.7075 -4.7075 -4.6934 -4.6934 -3.6858 -3.6858 -3.6748 -3.6748 -3.6611 -3.6611 7.8702 7.8702 9.3275 9.3275 11.9129 11.9129 12.2594 12.2594 12.3810 12.3810 12.4566 12.4566 13.3360 13.3360 13.7538 13.7538 13.9321 13.9321 14.2620 14.2620 14.8685 14.8685 15.4011 15.4011 15.4331 15.4331 15.4882 15.4882 15.6353 15.6353 16.8609 16.8609 17.9900 17.9900 19.7697 19.7697 21.6491 21.6491 22.0148 22.0148 22.5524 22.5524 k = 0.0250 0.5000-0.0000 ( 2414 PWs) bands (ev): -4.7075 -4.7075 -4.6934 -4.6934 -3.6857 -3.6857 -3.6749 -3.6749 -3.6611 -3.6611 7.8734 7.8734 9.3326 9.3326 11.9163 11.9163 12.2564 12.2564 12.3828 12.3828 12.4529 12.4529 13.3348 13.3348 13.7461 13.7461 13.9341 13.9341 14.2597 14.2597 14.8680 14.8680 15.3728 15.3728 15.4339 15.4339 15.5195 15.5195 15.6437 15.6437 16.8584 16.8584 17.9785 17.9785 19.7595 19.7595 21.6558 21.6558 22.0164 22.0164 22.5236 22.5236 k = 0.0375 0.5000-0.0000 ( 2410 PWs) bands (ev): -4.7074 -4.7074 -4.6935 -4.6935 -3.6855 -3.6855 -3.6749 -3.6749 -3.6610 -3.6610 7.8787 7.8787 9.3411 9.3411 11.9218 11.9218 12.2512 12.2512 12.3857 12.3857 12.4469 12.4469 13.3328 13.3328 13.7338 13.7338 13.9371 13.9371 14.2557 14.2557 14.8672 14.8672 15.3413 15.3413 15.4415 15.4415 15.5476 15.5476 15.6594 15.6594 16.8543 16.8543 17.9596 17.9596 19.7427 19.7427 21.6669 21.6669 22.0180 22.0180 22.4714 22.4714 k = 0.0500 0.5000-0.0000 ( 2416 PWs) bands (ev): -4.7073 -4.7073 -4.6935 -4.6935 -3.6853 -3.6853 -3.6750 -3.6750 -3.6610 -3.6610 7.8862 7.8862 9.3529 9.3529 11.9295 11.9295 12.2437 12.2437 12.3898 12.3898 12.4389 12.4389 13.3299 13.3299 13.7175 13.7175 13.9408 13.9408 14.2502 14.2502 14.8663 14.8663 15.3104 15.3104 15.4527 15.4527 15.5700 15.5700 15.6839 15.6839 16.8486 16.8486 17.9335 17.9335 19.7198 19.7198 21.6823 21.6823 22.0165 22.0165 22.3950 22.3950 k = 0.0625 0.5000-0.0000 ( 2420 PWs) bands (ev): -4.7071 -4.7071 -4.6935 -4.6935 -3.6851 -3.6851 -3.6751 -3.6751 -3.6609 -3.6609 7.8957 7.8957 9.3681 9.3681 11.9392 11.9392 12.2335 12.2335 12.3952 12.3952 12.4291 12.4291 13.3260 13.3260 13.6980 13.6980 13.9447 13.9447 14.2432 14.2432 14.8655 14.8655 15.2810 15.2810 15.4666 15.4666 15.5867 15.5867 15.7161 15.7161 16.8413 16.8413 17.9007 17.9007 19.6912 19.6912 21.7016 21.7016 22.0036 22.0036 22.3034 22.3034 k = 0.0750 0.5000-0.0000 ( 2424 PWs) bands (ev): -4.7069 -4.7069 -4.6935 -4.6935 -3.6847 -3.6847 -3.6752 -3.6752 -3.6608 -3.6608 7.9074 7.9074 9.3865 9.3865 11.9509 11.9509 12.2207 12.2207 12.4012 12.4012 12.4185 12.4185 13.3211 13.3211 13.6759 13.6759 13.9486 13.9486 14.2347 14.2347 14.8650 14.8650 15.2537 15.2537 15.4827 15.4827 15.5996 15.5996 15.7536 15.7536 16.8325 16.8325 17.8616 17.8616 19.6575 19.6575 21.7244 21.7244 21.9572 21.9572 22.2242 22.2242 k = 0.0875 0.5000-0.0000 ( 2424 PWs) bands (ev): -4.7067 -4.7067 -4.6936 -4.6936 -3.6844 -3.6844 -3.6754 -3.6754 -3.6607 -3.6607 7.9211 7.9211 9.4082 9.4082 11.9643 11.9643 12.2049 12.2049 12.4007 12.4007 12.4148 12.4148 13.3151 13.3151 13.6517 13.6517 13.9525 13.9525 14.2249 14.2249 14.8648 14.8648 15.2285 15.2285 15.5004 15.5004 15.6105 15.6105 15.7938 15.7938 16.8223 16.8223 17.8168 17.8168 19.6194 19.6194 21.7494 21.7494 21.8553 21.8553 22.1879 22.1879 k = 0.1000 0.5000-0.0000 ( 2424 PWs) bands (ev): -4.7065 -4.7065 -4.6936 -4.6936 -3.6839 -3.6839 -3.6756 -3.6756 -3.6606 -3.6606 7.9368 7.9368 9.4332 9.4332 11.9792 11.9792 12.1862 12.1862 12.3888 12.3888 12.4230 12.4230 13.3079 13.3079 13.6259 13.6259 13.9562 13.9562 14.2140 14.2140 14.8650 14.8650 15.2055 15.2055 15.5194 15.5194 15.6203 15.6203 15.8352 15.8352 16.8107 16.8107 17.7669 17.7669 19.5776 19.5776 21.7028 21.7028 21.7859 21.7859 22.1863 22.1863 k = 0.1125 0.5000-0.0000 ( 2428 PWs) bands (ev): -4.7062 -4.7062 -4.6937 -4.6937 -3.6835 -3.6835 -3.6757 -3.6757 -3.6605 -3.6605 7.9546 7.9546 9.4612 9.4612 11.9949 11.9949 12.1649 12.1649 12.3751 12.3751 12.4341 12.4341 13.2993 13.2993 13.5989 13.5989 13.9598 13.9598 14.2022 14.2022 14.8657 14.8657 15.1849 15.1849 15.5391 15.5391 15.6293 15.6293 15.8767 15.8767 16.7979 16.7979 17.7124 17.7124 19.5328 19.5328 21.5402 21.5402 21.8157 21.8157 22.2019 22.2019 k = 0.1250 0.5000-0.0000 ( 2424 PWs) bands (ev): -4.7059 -4.7059 -4.6937 -4.6937 -3.6830 -3.6830 -3.6760 -3.6760 -3.6603 -3.6603 7.9744 7.9744 9.4924 9.4924 12.0103 12.0103 12.1420 12.1420 12.3611 12.3611 12.4470 12.4470 13.2894 13.2894 13.5711 13.5711 13.9632 13.9632 14.1898 14.1898 14.8668 14.8668 15.1666 15.1666 15.5592 15.5592 15.6376 15.6376 15.9174 15.9174 16.7839 16.7839 17.6540 17.6540 19.4856 19.4856 21.3670 21.3670 21.8499 21.8499 22.2272 22.2272 k = 0.1375 0.5000-0.0000 ( 2432 PWs) bands (ev): -4.7056 -4.7056 -4.6938 -4.6938 -3.6824 -3.6824 -3.6762 -3.6762 -3.6601 -3.6601 7.9961 7.9961 9.5265 9.5265 12.0220 12.0220 12.1204 12.1204 12.3475 12.3475 12.4613 12.4613 13.2781 13.2781 13.5429 13.5429 13.9665 13.9665 14.1771 14.1771 14.8684 14.8684 15.1506 15.1506 15.5792 15.5792 15.6452 15.6452 15.9567 15.9567 16.7689 16.7689 17.5923 17.5923 19.4369 19.4369 21.1906 21.1906 21.8861 21.8861 22.2596 22.2596 k = 0.1500 0.5000-0.0000 ( 2428 PWs) bands (ev): -4.7053 -4.7053 -4.6938 -4.6938 -3.6819 -3.6819 -3.6765 -3.6765 -3.6599 -3.6599 8.0198 8.0198 9.5635 9.5635 12.0217 12.0217 12.1081 12.1081 12.3348 12.3348 12.4769 12.4769 13.2653 13.2653 13.5146 13.5146 13.9696 13.9696 14.1645 14.1645 14.8703 14.8703 15.1369 15.1369 15.5989 15.5989 15.6517 15.6517 15.9937 15.9937 16.7532 16.7532 17.5280 17.5280 19.3873 19.3873 21.0143 21.0143 21.9237 21.9237 22.2982 22.2982 k = 0.1625 0.5000-0.0000 ( 2424 PWs) bands (ev): -4.7049 -4.7049 -4.6939 -4.6939 -3.6813 -3.6813 -3.6768 -3.6768 -3.6596 -3.6596 8.0453 8.0453 9.6033 9.6033 12.0020 12.0020 12.1119 12.1119 12.3238 12.3238 12.4939 12.4939 13.2511 13.2511 13.4864 13.4864 13.9726 13.9726 14.1522 14.1522 14.8725 14.8725 15.1254 15.1254 15.6180 15.6180 15.6569 15.6569 16.0278 16.0278 16.7367 16.7367 17.4615 17.4615 19.3374 19.3374 20.8401 20.8401 21.9621 21.9621 22.3428 22.3428 k = 0.1750 0.5000-0.0000 ( 2424 PWs) bands (ev): -4.7046 -4.7046 -4.6940 -4.6940 -3.6807 -3.6807 -3.6770 -3.6770 -3.6593 -3.6593 8.0726 8.0726 9.6458 9.6458 11.9689 11.9689 12.1250 12.1250 12.3156 12.3156 12.5120 12.5120 13.2355 13.2355 13.4585 13.4585 13.9754 13.9754 14.1405 14.1405 14.8750 14.8750 15.1159 15.1159 15.6362 15.6362 15.6605 15.6605 16.0582 16.0582 16.7198 16.7198 17.3935 17.3935 19.2879 19.2879 20.6696 20.6696 22.0010 22.0010 22.3932 22.3932 k = 0.1875 0.5000-0.0000 ( 2424 PWs) bands (ev): -4.7042 -4.7042 -4.6941 -4.6941 -3.6801 -3.6801 -3.6773 -3.6773 -3.6590 -3.6590 8.1016 8.1016 9.6909 9.6909 11.9288 11.9288 12.1394 12.1394 12.3119 12.3119 12.5313 12.5313 13.2187 13.2187 13.4310 13.4310 13.9779 13.9779 14.1296 14.1296 14.8779 14.8779 15.1084 15.1084 15.6528 15.6528 15.6627 15.6627 16.0843 16.0843 16.7028 16.7028 17.3245 17.3245 19.2393 19.2393 20.5040 20.5040 22.0402 22.0402 22.4493 22.4493 k = 0.2000 0.5000-0.0000 ( 2422 PWs) bands (ev): -4.7038 -4.7038 -4.6941 -4.6941 -3.6796 -3.6796 -3.6776 -3.6776 -3.6587 -3.6587 8.1323 8.1323 9.7383 9.7383 11.8843 11.8843 12.1504 12.1504 12.3149 12.3149 12.5517 12.5517 13.2008 13.2008 13.4040 13.4040 13.9800 13.9800 14.1199 14.1199 14.8811 14.8811 15.1027 15.1027 15.6594 15.6594 15.6716 15.6716 16.1052 16.1052 16.6857 16.6857 17.2552 17.2552 19.1921 19.1921 20.3444 20.3444 22.0796 22.0796 22.5112 22.5112 k = 0.2125 0.5000-0.0000 ( 2430 PWs) bands (ev): -4.7034 -4.7034 -4.6942 -4.6942 -3.6790 -3.6790 -3.6779 -3.6779 -3.6583 -3.6583 8.1646 8.1646 9.7879 9.7879 11.8365 11.8365 12.1554 12.1554 12.3262 12.3262 12.5730 12.5730 13.1821 13.1821 13.3777 13.3777 13.9817 13.9817 14.1116 14.1116 14.8847 14.8847 15.0985 15.0985 15.6564 15.6564 15.6861 15.6861 16.1201 16.1201 16.6689 16.6689 17.1859 17.1859 19.1468 19.1468 20.1916 20.1916 22.1189 22.1189 22.5785 22.5785 k = 0.2250 0.5000-0.0000 ( 2424 PWs) bands (ev): -4.7030 -4.7030 -4.6943 -4.6943 -3.6788 -3.6788 -3.6779 -3.6779 -3.6579 -3.6579 8.1984 8.1984 9.8396 9.8396 11.7862 11.7862 12.1541 12.1541 12.3458 12.3458 12.5953 12.5953 13.1629 13.1629 13.3520 13.3520 13.9826 13.9826 14.1048 14.1048 14.8888 14.8888 15.0958 15.0958 15.6500 15.6500 15.6999 15.6999 16.1285 16.1285 16.6525 16.6525 17.1174 17.1174 19.1039 19.1039 20.0465 20.0465 22.1584 22.1584 22.6510 22.6510 k = 0.2375 0.5000-0.0000 ( 2440 PWs) bands (ev): -4.7026 -4.7026 -4.6944 -4.6944 -3.6789 -3.6789 -3.6775 -3.6775 -3.6574 -3.6574 8.2337 8.2337 9.8931 9.8931 11.7338 11.7338 12.1478 12.1478 12.3719 12.3719 12.6183 12.6183 13.1435 13.1435 13.3269 13.3269 13.9828 13.9828 14.0996 14.0996 14.8933 14.8933 15.0942 15.0942 15.6404 15.6404 15.7125 15.7125 16.1298 16.1298 16.6363 16.6363 17.0503 17.0503 19.0636 19.0636 19.9096 19.9096 22.1981 22.1981 22.7285 22.7285 k = 0.2500 0.5000-0.0000 ( 2444 PWs) bands (ev): -4.7021 -4.7021 -4.6945 -4.6945 -3.6793 -3.6793 -3.6770 -3.6770 -3.6569 -3.6569 8.2702 8.2702 9.9482 9.9482 11.6796 11.6796 12.1383 12.1383 12.4027 12.4027 12.6420 12.6420 13.1241 13.1241 13.3026 13.3026 13.9821 13.9821 14.0961 14.0961 14.8983 14.8983 15.0936 15.0936 15.6275 15.6275 15.7236 15.7236 16.1239 16.1239 16.6200 16.6200 16.9853 16.9853 19.0264 19.0264 19.7816 19.7816 22.2380 22.2380 22.8105 22.8105 k = 0.2625 0.5000-0.0000 ( 2440 PWs) bands (ev): -4.7017 -4.7017 -4.6945 -4.6945 -3.6796 -3.6796 -3.6765 -3.6765 -3.6564 -3.6564 8.3079 8.3079 10.0047 10.0047 11.6240 11.6240 12.1268 12.1268 12.4367 12.4367 12.6663 12.6663 13.1052 13.1052 13.2789 13.2789 13.9804 13.9804 14.0942 14.0942 14.9039 14.9039 15.0938 15.0938 15.6113 15.6113 15.7330 15.7330 16.1111 16.1111 16.6027 16.6027 16.9233 16.9233 18.9923 18.9923 19.6629 19.6629 22.2782 22.2782 22.8969 22.8969 k = 0.2750 0.5000-0.0000 ( 2430 PWs) bands (ev): -4.7013 -4.7013 -4.6946 -4.6946 -3.6800 -3.6800 -3.6760 -3.6760 -3.6559 -3.6559 8.3466 8.3466 10.0622 10.0622 11.5674 11.5674 12.1142 12.1142 12.4729 12.4729 12.6911 12.6911 13.0871 13.0871 13.2561 13.2561 13.9778 13.9778 14.0938 14.0938 14.9099 14.9099 15.0947 15.0947 15.5918 15.5918 15.7405 15.7405 16.0920 16.0920 16.5832 16.5832 16.8655 16.8655 18.9615 18.9615 19.5538 19.5538 22.3189 22.3189 22.9872 22.9872 k = 0.2875 0.5000-0.0000 ( 2430 PWs) bands (ev): -4.7009 -4.7009 -4.6947 -4.6947 -3.6803 -3.6803 -3.6755 -3.6755 -3.6553 -3.6553 8.3862 8.3862 10.1204 10.1204 11.5100 11.5100 12.1010 12.1010 12.5104 12.5104 12.7161 12.7161 13.0700 13.0700 13.2340 13.2340 13.9744 13.9744 14.0946 14.0946 14.9165 14.9165 15.0960 15.0960 15.5691 15.5691 15.7456 15.7456 16.0677 16.0677 16.5598 16.5598 16.8133 16.8133 18.9341 18.9341 19.4546 19.4546 22.3598 22.3598 23.0811 23.0811 k = 0.3000 0.5000-0.0000 ( 2422 PWs) bands (ev): -4.7005 -4.7005 -4.6948 -4.6948 -3.6807 -3.6807 -3.6751 -3.6751 -3.6547 -3.6547 8.4265 8.4265 10.1790 10.1790 11.4522 11.4522 12.0876 12.0876 12.5489 12.5489 12.7413 12.7413 13.0542 13.0542 13.2128 13.2128 13.9703 13.9703 14.0963 14.0963 14.9235 14.9235 15.0975 15.0975 15.5435 15.5435 15.7476 15.7476 16.0401 16.0401 16.5311 16.5311 16.7680 16.7680 18.9101 18.9101 19.3652 19.3652 22.4012 22.4012 23.1783 23.1783 k = 0.3125 0.5000-0.0000 ( 2426 PWs) bands (ev): -4.7001 -4.7001 -4.6949 -4.6949 -3.6810 -3.6810 -3.6746 -3.6746 -3.6541 -3.6541 8.4672 8.4672 10.2376 10.2376 11.3944 11.3944 12.0743 12.0743 12.5877 12.5877 12.7664 12.7664 13.0400 13.0400 13.1926 13.1926 13.9655 13.9655 14.0986 14.0986 14.9308 14.9308 15.0993 15.0993 15.5152 15.5152 15.7456 15.7456 16.0110 16.0110 16.4962 16.4962 16.7301 16.7301 18.8893 18.8893 19.2856 19.2856 22.4428 22.4428 23.2784 23.2784 k = 0.3250 0.5000-0.0000 ( 2428 PWs) bands (ev): -4.6998 -4.6998 -4.6949 -4.6949 -3.6813 -3.6813 -3.6742 -3.6742 -3.6536 -3.6536 8.5082 8.5082 10.2959 10.2959 11.3369 11.3369 12.0612 12.0612 12.6264 12.6264 12.7913 12.7913 13.0277 13.0277 13.1735 13.1735 13.9601 13.9601 14.1013 14.1013 14.9383 14.9383 15.1010 15.1010 15.4845 15.4845 15.7382 15.7382 15.9831 15.9831 16.4559 16.4559 16.6990 16.6990 18.8716 18.8716 19.2154 19.2154 22.4846 22.4846 23.3810 23.3810 k = 0.3375 0.5000-0.0000 ( 2428 PWs) bands (ev): -4.6994 -4.6994 -4.6950 -4.6950 -3.6817 -3.6817 -3.6739 -3.6739 -3.6530 -3.6530 8.5492 8.5492 10.3532 10.3532 11.2802 11.2802 12.0486 12.0486 12.6644 12.6644 12.8157 12.8157 13.0177 13.0177 13.1555 13.1555 13.9542 13.9542 14.1041 14.1041 14.9459 14.9459 15.1027 15.1027 15.4518 15.4518 15.7240 15.7240 15.9590 15.9590 16.4119 16.4119 16.6730 16.6730 18.8567 18.8567 19.1544 19.1544 22.5263 22.5263 23.4857 23.4857 k = 0.3500 0.5000-0.0000 ( 2420 PWs) bands (ev): -4.6991 -4.6991 -4.6951 -4.6951 -3.6820 -3.6820 -3.6735 -3.6735 -3.6524 -3.6524 8.5899 8.5899 10.4091 10.4091 11.2247 11.2247 12.0364 12.0364 12.7014 12.7014 12.8392 12.8392 13.0103 13.0103 13.1388 13.1388 13.9477 13.9477 14.1069 14.1069 14.9532 14.9532 15.1042 15.1042 15.4177 15.4177 15.7023 15.7023 15.9404 15.9404 16.3663 16.3663 16.6506 16.6506 18.8442 18.8442 19.1019 19.1019 22.5678 22.5678 23.5920 23.5920 k = 0.3625 0.5000-0.0000 ( 2424 PWs) bands (ev): -4.6988 -4.6988 -4.6951 -4.6951 -3.6823 -3.6823 -3.6732 -3.6732 -3.6519 -3.6519 8.6300 8.6300 10.4631 10.4631 11.1709 11.1709 12.0249 12.0249 12.7366 12.7366 12.8615 12.8615 13.0059 13.0059 13.1236 13.1236 13.9406 13.9406 14.1094 14.1094 14.9602 14.9602 15.1055 15.1055 15.3828 15.3828 15.6741 15.6741 15.9278 15.9278 16.3207 16.3207 16.6303 16.6303 18.8338 18.8338 19.0574 19.0574 22.6087 22.6087 23.6994 23.6994 k = 0.3750 0.5000-0.0000 ( 2430 PWs) bands (ev): -4.6985 -4.6985 -4.6952 -4.6952 -3.6825 -3.6825 -3.6730 -3.6730 -3.6513 -3.6513 8.6690 8.6690 10.5145 10.5145 11.1194 11.1194 12.0142 12.0142 12.7694 12.7694 12.8821 12.8821 13.0051 13.0051 13.1099 13.1099 13.9328 13.9328 14.1116 14.1116 14.9665 14.9665 15.1065 15.1065 15.3477 15.3477 15.6412 15.6412 15.9203 15.9203 16.2767 16.2767 16.6113 16.6113 18.8251 18.8251 19.0205 19.0205 22.6487 22.6487 23.8072 23.8072 k = 0.3875 0.5000-0.0000 ( 2430 PWs) bands (ev): -4.6983 -4.6983 -4.6952 -4.6952 -3.6828 -3.6828 -3.6727 -3.6727 -3.6508 -3.6508 8.7066 8.7066 10.5627 10.5627 11.0708 11.0708 12.0042 12.0042 12.7989 12.7989 12.9008 12.9008 13.0084 13.0084 13.0980 13.0980 13.9244 13.9244 14.1134 14.1134 14.9720 14.9720 15.1071 15.1071 15.3134 15.3134 15.6059 15.6059 15.9164 15.9164 16.2352 16.2352 16.5933 16.5933 18.8176 18.8176 18.9903 18.9903 22.6875 22.6875 23.9145 23.9145 k = 0.4000 0.5000-0.0000 ( 2434 PWs) bands (ev): -4.6981 -4.6981 -4.6952 -4.6952 -3.6830 -3.6830 -3.6725 -3.6725 -3.6504 -3.6504 8.7424 8.7424 10.6069 10.6069 11.0259 11.0259 11.9951 11.9951 12.8243 12.8243 12.9175 12.9175 13.0155 13.0155 13.0879 13.0879 13.9153 13.9153 14.1147 14.1147 14.9764 14.9764 15.1073 15.1073 15.2807 15.2807 15.5706 15.5706 15.9149 15.9149 16.1969 16.1969 16.5761 16.5761 18.8110 18.8110 18.9663 18.9663 22.7244 22.7244 24.0205 24.0205 k = 0.4125 0.5000-0.0000 ( 2438 PWs) bands (ev): -4.6979 -4.6979 -4.6952 -4.6952 -3.6832 -3.6832 -3.6723 -3.6723 -3.6499 -3.6499 8.7757 8.7757 10.6462 10.6462 10.9855 10.9855 11.9869 11.9869 12.8447 12.8447 12.9329 12.9329 13.0255 13.0255 13.0802 13.0802 13.9057 13.9057 14.1156 14.1156 14.9796 14.9796 15.1071 15.1071 15.2504 15.2504 15.5367 15.5367 15.9149 15.9149 16.1625 16.1625 16.5600 16.5600 18.8052 18.8052 18.9476 18.9476 22.7591 22.7591 24.1237 24.1237 k = 0.4250 0.5000-0.0000 ( 2434 PWs) bands (ev): -4.6977 -4.6977 -4.6952 -4.6952 -3.6834 -3.6834 -3.6722 -3.6722 -3.6496 -3.6496 8.8062 8.8062 10.6796 10.6796 10.9508 10.9508 11.9797 11.9797 12.8599 12.8599 12.9477 12.9477 13.0360 13.0360 13.0760 13.0760 13.8957 13.8957 14.1160 14.1160 14.9814 14.9814 15.1064 15.1064 15.2236 15.2236 15.5056 15.5056 15.9156 15.9156 16.1324 16.1324 16.5450 16.5450 18.7999 18.7999 18.9336 18.9336 22.7909 22.7909 24.2224 24.2224 k = 0.4375 0.5000-0.0000 ( 2436 PWs) bands (ev): -4.6976 -4.6976 -4.6952 -4.6952 -3.6836 -3.6836 -3.6720 -3.6720 -3.6492 -3.6492 8.8332 8.8332 10.7059 10.7059 10.9229 10.9229 11.9736 11.9736 12.8705 12.8705 12.9621 12.9621 13.0428 13.0428 13.0776 13.0776 13.8858 13.8858 14.1162 14.1162 14.9821 14.9821 15.1053 15.1053 15.2008 15.2008 15.4782 15.4782 15.9167 15.9167 16.1068 16.1068 16.5316 16.5316 18.7952 18.7952 18.9234 18.9234 22.8191 22.8191 24.3146 24.3146 k = 0.4500 0.5000-0.0000 ( 2436 PWs) bands (ev): -4.6975 -4.6975 -4.6952 -4.6952 -3.6837 -3.6837 -3.6719 -3.6719 -3.6490 -3.6490 8.8562 8.8562 10.7241 10.7241 10.9032 10.9032 11.9685 11.9685 12.8774 12.8774 12.9757 12.9757 13.0438 13.0438 13.0855 13.0855 13.8763 13.8763 14.1161 14.1161 14.9816 14.9816 15.1037 15.1037 15.1825 15.1825 15.4551 15.4551 15.9178 15.9178 16.0859 16.0859 16.5200 16.5200 18.7911 18.7911 18.9162 18.9162 22.8434 22.8434 24.3973 24.3973 k = 0.4625 0.5000-0.0000 ( 2436 PWs) bands (ev): -4.6974 -4.6974 -4.6952 -4.6952 -3.6838 -3.6838 -3.6718 -3.6718 -3.6488 -3.6488 8.8747 8.8747 10.7341 10.7341 10.8918 10.8918 11.9645 11.9645 12.8817 12.8817 12.9877 12.9877 13.0417 13.0417 13.0955 13.0955 13.8680 13.8680 14.1159 14.1159 14.9806 14.9806 15.1020 15.1020 15.1687 15.1687 15.4369 15.4369 15.9187 15.9187 16.0698 16.0698 16.5105 16.5105 18.7878 18.7878 18.9114 18.9114 22.8629 22.8629 24.4674 24.4674 k = 0.4750 0.5000-0.0000 ( 2432 PWs) bands (ev): -4.6973 -4.6973 -4.6952 -4.6952 -3.6839 -3.6839 -3.6718 -3.6718 -3.6486 -3.6486 8.8883 8.8883 10.7377 10.7377 10.8870 10.8870 11.9617 11.9617 12.8843 12.8843 12.9977 12.9977 13.0386 13.0386 13.1043 13.1043 13.8614 13.8614 14.1157 14.1157 14.9793 14.9793 15.1004 15.1004 15.1593 15.1593 15.4237 15.4237 15.9193 15.9193 16.0584 16.0584 16.5035 16.5035 18.7854 18.7854 18.9083 18.9083 22.8773 22.8773 24.5212 24.5212 k = 0.4875 0.5000-0.0000 ( 2432 PWs) bands (ev): -4.6973 -4.6973 -4.6952 -4.6952 -3.6839 -3.6839 -3.6717 -3.6717 -3.6485 -3.6485 8.8966 8.8966 10.7382 10.7382 10.8858 10.8858 11.9599 11.9599 12.8857 12.8857 13.0047 13.0047 13.0358 13.0358 13.1100 13.1100 13.8572 13.8572 14.1155 14.1155 14.9783 14.9783 15.0993 15.0993 15.1539 15.1539 15.4158 15.4158 15.9197 15.9197 16.0517 16.0517 16.4992 16.4992 18.7839 18.7839 18.9066 18.9066 22.8861 22.8861 24.5552 24.5552 k = 0.5000 0.5000-0.0000 ( 2408 PWs) bands (ev): -4.6973 -4.6973 -4.6952 -4.6952 -3.6839 -3.6839 -3.6717 -3.6717 -3.6485 -3.6485 8.8994 8.8994 10.7381 10.7381 10.8857 10.8857 11.9594 11.9594 12.8862 12.8862 13.0073 13.0073 13.0346 13.0346 13.1121 13.1121 13.8557 13.8557 14.1155 14.1155 14.9780 14.9780 15.0989 15.0989 15.1522 15.1522 15.4132 15.4132 15.9198 15.9198 16.0494 16.0494 16.4978 16.4978 18.7835 18.7835 18.9061 18.9061 22.8890 22.8890 24.5668 24.5668 k = 0.5000 0.5000-0.0000 ( 2408 PWs) bands (ev): -4.6973 -4.6973 -4.6952 -4.6952 -3.6839 -3.6839 -3.6717 -3.6717 -3.6485 -3.6485 8.8994 8.8994 10.7381 10.7381 10.8857 10.8857 11.9594 11.9594 12.8862 12.8862 13.0073 13.0073 13.0346 13.0346 13.1121 13.1121 13.8557 13.8557 14.1155 14.1155 14.9780 14.9780 15.0989 15.0989 15.1522 15.1522 15.4132 15.4132 15.9198 15.9198 16.0494 16.0494 16.4978 16.4978 18.7835 18.7835 18.9061 18.9061 22.8890 22.8890 24.5668 24.5668 k = 0.4911 0.4911-0.0000 ( 2434 PWs) bands (ev): -4.6973 -4.6973 -4.6952 -4.6952 -3.6839 -3.6839 -3.6717 -3.6717 -3.6485 -3.6485 8.8966 8.8966 10.7383 10.7383 10.8857 10.8857 11.9600 11.9600 12.8857 12.8857 13.0046 13.0046 13.0358 13.0358 13.1100 13.1100 13.8572 13.8572 14.1156 14.1156 14.9783 14.9783 15.0993 15.0993 15.1539 15.1539 15.4158 15.4158 15.9197 15.9197 16.0517 16.0517 16.4993 16.4993 18.7840 18.7840 18.9066 18.9066 22.8860 22.8860 24.5549 24.5549 k = 0.4821 0.4821-0.0000 ( 2434 PWs) bands (ev): -4.6973 -4.6973 -4.6952 -4.6952 -3.6839 -3.6839 -3.6718 -3.6718 -3.6486 -3.6486 8.8880 8.8880 10.7389 10.7389 10.8860 10.8860 11.9617 11.9617 12.8843 12.8843 12.9977 12.9977 13.0384 13.0384 13.1041 13.1041 13.8609 13.8609 14.1164 14.1164 14.9794 14.9794 15.1008 15.1008 15.1592 15.1592 15.4238 15.4238 15.9194 15.9194 16.0585 16.0585 16.5037 16.5037 18.7855 18.7855 18.9083 18.9083 22.8772 22.8772 24.5196 24.5196 k = 0.4732 0.4732-0.0000 ( 2434 PWs) bands (ev): -4.6974 -4.6974 -4.6952 -4.6952 -3.6838 -3.6838 -3.6718 -3.6718 -3.6488 -3.6488 8.8736 8.8736 10.7396 10.7396 10.8872 10.8872 11.9646 11.9646 12.8817 12.8817 12.9880 12.9880 13.0408 13.0408 13.0951 13.0951 13.8649 13.8649 14.1195 14.1195 14.9808 14.9808 15.1039 15.1039 15.1680 15.1680 15.4365 15.4365 15.9191 15.9191 16.0697 16.0697 16.5109 16.5109 18.7880 18.7880 18.9113 18.9113 22.8631 22.8631 24.4624 24.4624 k = 0.4643 0.4643-0.0000 ( 2434 PWs) bands (ev): -4.6975 -4.6975 -4.6952 -4.6952 -3.6837 -3.6837 -3.6719 -3.6719 -3.6490 -3.6490 8.8534 8.8534 10.7400 10.7400 10.8901 10.8901 11.9685 11.9685 12.8776 12.8776 12.9765 12.9765 13.0417 13.0417 13.0845 13.0845 13.8664 13.8664 14.1272 14.1272 14.9822 14.9822 15.1092 15.1092 15.1800 15.1800 15.4532 15.4532 15.9189 15.9189 16.0852 16.0852 16.5207 16.5207 18.7916 18.7916 18.9160 18.9160 22.8447 22.8447 24.3853 24.3853 k = 0.4554 0.4554-0.0000 ( 2432 PWs) bands (ev): -4.6976 -4.6976 -4.6953 -4.6953 -3.6836 -3.6836 -3.6720 -3.6720 -3.6493 -3.6493 8.8272 8.8272 10.7398 10.7398 10.8956 10.8956 11.9735 11.9735 12.8711 12.8711 12.9637 12.9637 13.0391 13.0391 13.0751 13.0751 13.8624 13.8624 14.1418 14.1418 14.9832 14.9832 15.1170 15.1170 15.1953 15.1953 15.4733 15.4733 15.9192 15.9192 16.1046 16.1046 16.5330 16.5330 18.7960 18.7960 18.9228 18.9228 22.8230 22.8230 24.2911 24.2911 k = 0.4464 0.4464-0.0000 ( 2436 PWs) bands (ev): -4.6977 -4.6977 -4.6953 -4.6953 -3.6834 -3.6834 -3.6721 -3.6721 -3.6496 -3.6496 8.7951 8.7951 10.7388 10.7388 10.9043 10.9043 11.9794 11.9794 12.8616 12.8616 12.9503 12.9503 13.0307 13.0307 13.0703 13.0703 13.8513 13.8513 14.1646 14.1646 14.9837 14.9837 15.1277 15.1277 15.2137 15.2137 15.4956 15.4956 15.9204 15.9204 16.1278 16.1278 16.5474 16.5474 18.8012 18.8012 18.9325 18.9325 22.7992 22.7992 24.1824 24.1824 k = 0.4375 0.4375-0.0000 ( 2432 PWs) bands (ev): -4.6979 -4.6979 -4.6953 -4.6953 -3.6833 -3.6833 -3.6723 -3.6723 -3.6500 -3.6500 8.7570 8.7570 10.7375 10.7375 10.9167 10.9167 11.9860 11.9860 12.8479 12.8479 12.9370 12.9370 13.0174 13.0174 13.0704 13.0704 13.8327 13.8327 14.1951 14.1951 14.9836 14.9836 15.1411 15.1411 15.2352 15.2352 15.5192 15.5192 15.9230 15.9230 16.1543 16.1543 16.5639 16.5639 18.8067 18.8067 18.9460 18.9460 22.7746 22.7746 24.0619 24.0619 k = 0.4286 0.4286-0.0000 ( 2428 PWs) bands (ev): -4.6981 -4.6981 -4.6953 -4.6953 -3.6831 -3.6831 -3.6725 -3.6725 -3.6505 -3.6505 8.7130 8.7130 10.7363 10.7363 10.9327 10.9327 11.9933 11.9933 12.8294 12.8294 12.9242 12.9242 13.0020 13.0020 13.0738 13.0738 13.8075 13.8075 14.2321 14.2321 14.9830 14.9830 15.1569 15.1569 15.2597 15.2597 15.5430 15.5430 15.9276 15.9276 16.1836 16.1836 16.5822 16.5822 18.8122 18.8122 18.9643 18.9643 22.7503 22.7503 23.9318 23.9318 k = 0.4196 0.4196-0.0000 ( 2428 PWs) bands (ev): -4.6983 -4.6983 -4.6953 -4.6953 -3.6829 -3.6829 -3.6727 -3.6727 -3.6510 -3.6510 8.6632 8.6632 10.7359 10.7359 10.9522 10.9522 12.0011 12.0011 12.8060 12.8060 12.9121 12.9121 12.9859 12.9859 13.0797 13.0797 13.7769 13.7769 14.2737 14.2737 14.9825 14.9825 15.1746 15.1746 15.2870 15.2870 15.5659 15.5659 15.9346 15.9346 16.2152 16.2152 16.6022 16.6022 18.8172 18.8172 18.9884 18.9884 22.7273 22.7273 23.7940 23.7940 k = 0.4107 0.4107-0.0000 ( 2428 PWs) bands (ev): -4.6985 -4.6985 -4.6954 -4.6954 -3.6827 -3.6827 -3.6729 -3.6729 -3.6516 -3.6516 8.6077 8.6077 10.7372 10.7372 10.9747 10.9747 12.0092 12.0092 12.7779 12.7779 12.9005 12.9005 12.9702 12.9702 13.0881 13.0881 13.7423 13.7423 14.3184 14.3184 14.9822 14.9822 15.1937 15.1937 15.3170 15.3170 15.5871 15.5871 15.9449 15.9449 16.2487 16.2487 16.6240 16.6240 18.8215 18.8215 19.0193 19.0193 22.7066 22.7066 23.6501 23.6501 k = 0.4018 0.4018-0.0000 ( 2432 PWs) bands (ev): -4.6988 -4.6988 -4.6954 -4.6954 -3.6825 -3.6825 -3.6731 -3.6731 -3.6523 -3.6523 8.5469 8.5469 10.7405 10.7405 11.0000 11.0000 12.0173 12.0173 12.7458 12.7458 12.8890 12.8890 12.9552 12.9552 13.0990 13.0990 13.7045 13.7045 14.3645 14.3645 14.9830 14.9830 15.2137 15.2137 15.3492 15.3492 15.6057 15.6057 15.9586 15.9586 16.2834 16.2834 16.6476 16.6476 18.8248 18.8248 19.0577 19.0577 22.6887 22.6887 23.5016 23.5016 k = 0.3929 0.3929-0.0000 ( 2436 PWs) bands (ev): -4.6991 -4.6991 -4.6954 -4.6954 -3.6823 -3.6823 -3.6733 -3.6733 -3.6530 -3.6530 8.4810 8.4810 10.7464 10.7464 11.0277 11.0277 12.0252 12.0252 12.7104 12.7104 12.8769 12.8769 12.9417 12.9417 13.1125 13.1125 13.6646 13.6646 14.4103 14.4103 14.9854 14.9854 15.2344 15.2344 15.3835 15.3835 15.6213 15.6213 15.9760 15.9760 16.3188 16.3188 16.6730 16.6730 18.8272 18.8272 19.1042 19.1042 22.6741 22.6741 23.3498 23.3498 k = 0.3839 0.3839-0.0000 ( 2428 PWs) bands (ev): -4.6995 -4.6995 -4.6955 -4.6955 -3.6822 -3.6822 -3.6736 -3.6736 -3.6537 -3.6537 8.4105 8.4105 10.7552 10.7552 11.0573 11.0573 12.0328 12.0328 12.6723 12.6723 12.8634 12.8634 12.9309 12.9309 13.1285 13.1285 13.6235 13.6235 14.4541 14.4541 14.9905 14.9905 15.2554 15.2554 15.4194 15.4194 15.6342 15.6342 15.9968 15.9968 16.3544 16.3544 16.7007 16.7007 18.8287 18.8287 19.1589 19.1589 22.6626 22.6626 23.1962 23.1962 k = 0.3750 0.3750-0.0000 ( 2422 PWs) bands (ev): -4.6998 -4.6998 -4.6956 -4.6956 -3.6820 -3.6820 -3.6738 -3.6738 -3.6545 -3.6545 8.3359 8.3359 10.7670 10.7670 11.0887 11.0887 12.0398 12.0398 12.6321 12.6321 12.8476 12.8476 12.9238 12.9238 13.1465 13.1465 13.5824 13.5824 14.4939 14.4939 14.9995 14.9995 15.2765 15.2765 15.4562 15.4562 15.6449 15.6449 16.0205 16.0205 16.3895 16.3895 16.7306 16.7306 18.8294 18.8294 19.2220 19.2220 22.6529 22.6529 23.0434 23.0434 k = 0.3661 0.3661-0.0000 ( 2420 PWs) bands (ev): -4.7002 -4.7002 -4.6957 -4.6957 -3.6819 -3.6819 -3.6741 -3.6741 -3.6554 -3.6554 8.2576 8.2576 10.7818 10.7818 11.1214 11.1214 12.0460 12.0460 12.5903 12.5903 12.8289 12.8289 12.9211 12.9211 13.1657 13.1657 13.5426 13.5426 14.5277 14.5277 15.0138 15.0138 15.2976 15.2976 15.4931 15.4931 15.6548 15.6548 16.0466 16.0466 16.4239 16.4239 16.7630 16.7630 18.8294 18.8294 19.2935 19.2935 22.6390 22.6390 22.8983 22.8983 k = 0.3571 0.3571-0.0000 ( 2420 PWs) bands (ev): -4.7006 -4.7006 -4.6959 -4.6959 -3.6818 -3.6818 -3.6743 -3.6743 -3.6563 -3.6563 8.1761 8.1761 10.7993 10.7993 11.1551 11.1551 12.0511 12.0511 12.5475 12.5475 12.8078 12.8078 12.9230 12.9230 13.1844 13.1844 13.5063 13.5063 14.5535 14.5535 15.0349 15.0349 15.3185 15.3185 15.5285 15.5285 15.6657 15.6657 16.0743 16.0743 16.4572 16.4572 16.7978 16.7978 18.8286 18.8286 19.3733 19.3733 22.5962 22.5962 22.7863 22.7863 k = 0.3482 0.3482-0.0000 ( 2412 PWs) bands (ev): -4.7011 -4.7011 -4.6960 -4.6960 -3.6818 -3.6818 -3.6746 -3.6746 -3.6573 -3.6573 8.0920 8.0920 10.8195 10.8195 11.1895 11.1895 12.0551 12.0551 12.5041 12.5041 12.7845 12.7845 12.9291 12.9291 13.1997 13.1997 13.4773 13.4773 14.5700 14.5700 15.0637 15.0637 15.3392 15.3392 15.5602 15.5602 15.6808 15.6808 16.1031 16.1031 16.4893 16.4893 16.8352 16.8352 18.8271 18.8271 19.4609 19.4609 22.4874 22.4874 22.7452 22.7452 k = 0.3393 0.3393-0.0000 ( 2398 PWs) bands (ev): -4.7015 -4.7015 -4.6962 -4.6962 -3.6818 -3.6818 -3.6748 -3.6748 -3.6583 -3.6583 8.0058 8.0058 10.8420 10.8420 11.2244 11.2244 12.0577 12.0577 12.4607 12.4607 12.7596 12.7596 12.9390 12.9390 13.2065 13.2065 13.4611 13.4611 14.5768 14.5768 15.1000 15.1000 15.3595 15.3595 15.5855 15.5855 15.7032 15.7032 16.1326 16.1326 16.5200 16.5200 16.8748 16.8748 18.8249 18.8249 19.5559 19.5559 22.3407 22.3407 22.7474 22.7474 k = 0.3304 0.3304-0.0000 ( 2398 PWs) bands (ev): -4.7020 -4.7020 -4.6965 -4.6965 -3.6819 -3.6819 -3.6750 -3.6750 -3.6593 -3.6593 7.9178 7.9178 10.8664 10.8664 11.2594 11.2594 12.0589 12.0589 12.4178 12.4178 12.7333 12.7333 12.9521 12.9521 13.2004 13.2004 13.4629 13.4629 14.5745 14.5745 15.1428 15.1428 15.3794 15.3794 15.6041 15.6041 15.7339 15.7339 16.1626 16.1626 16.5493 16.5493 16.9164 16.9164 18.8219 18.8219 19.6578 19.6578 22.1832 22.1832 22.7664 22.7664 k = 0.3214 0.3214-0.0000 ( 2408 PWs) bands (ev): -4.7025 -4.7025 -4.6967 -4.6967 -3.6820 -3.6820 -3.6753 -3.6753 -3.6604 -3.6604 7.8287 7.8287 10.8922 10.8922 11.2944 11.2944 12.0585 12.0585 12.3761 12.3761 12.7060 12.7060 12.9671 12.9671 13.1821 13.1821 13.4833 13.4833 14.5644 14.5644 15.1903 15.1903 15.3987 15.3987 15.6186 15.6186 15.7712 15.7712 16.1929 16.1929 16.5772 16.5772 16.9597 16.9597 18.8182 18.8182 19.7656 19.7656 22.0221 22.0221 22.7950 22.7950 k = 0.3125 0.3125-0.0000 ( 2416 PWs) bands (ev): -4.7030 -4.7030 -4.6970 -4.6970 -3.6821 -3.6821 -3.6755 -3.6755 -3.6615 -3.6615 7.7387 7.7387 10.9189 10.9189 11.3289 11.3289 12.0565 12.0565 12.3362 12.3362 12.6778 12.6778 12.9815 12.9815 13.1580 13.1580 13.5188 13.5188 14.5480 14.5480 15.2400 15.2400 15.4179 15.4179 15.6324 15.6324 15.8125 15.8125 16.2236 16.2236 16.6039 16.6039 17.0044 17.0044 18.8136 18.8136 19.8787 19.8787 21.8599 21.8599 22.8314 22.8314 k = 0.3036 0.3036-0.0000 ( 2426 PWs) bands (ev): -4.7035 -4.7035 -4.6974 -4.6974 -3.6824 -3.6824 -3.6757 -3.6757 -3.6627 -3.6627 7.6484 7.6484 10.9458 10.9458 11.3629 11.3629 12.0528 12.0528 12.2990 12.2990 12.6491 12.6491 12.9893 12.9893 13.1380 13.1380 13.5652 13.5652 14.5268 14.5268 15.2886 15.2886 15.4386 15.4386 15.6481 15.6481 15.8559 15.8559 16.2548 16.2548 16.6292 16.6292 17.0501 17.0501 18.8082 18.8082 19.9959 19.9959 21.6977 21.6977 22.8748 22.8748 k = 0.2946 0.2946-0.0000 ( 2426 PWs) bands (ev): -4.7041 -4.7041 -4.6978 -4.6978 -3.6826 -3.6826 -3.6760 -3.6760 -3.6639 -3.6639 7.5580 7.5580 10.9722 10.9722 11.3961 11.3961 12.0473 12.0473 12.2652 12.2652 12.6199 12.6199 12.9816 12.9816 13.1338 13.1338 13.6199 13.6199 14.5020 14.5020 15.3309 15.3309 15.4645 15.4645 15.6672 15.6672 15.9002 15.9002 16.2866 16.2866 16.6534 16.6534 17.0965 17.0965 18.8018 18.8018 20.1163 20.1163 21.5361 21.5361 22.9247 22.9247 k = 0.2857 0.2857-0.0000 ( 2430 PWs) bands (ev): -4.7046 -4.7046 -4.6982 -4.6982 -3.6830 -3.6830 -3.6762 -3.6762 -3.6651 -3.6651 7.4679 7.4679 10.9974 10.9974 11.4283 11.4283 12.0400 12.0400 12.2356 12.2356 12.5904 12.5904 12.9560 12.9560 13.1491 13.1491 13.6813 13.6813 14.4751 14.4751 15.3610 15.3610 15.5004 15.5004 15.6905 15.6905 15.9448 15.9448 16.3192 16.3192 16.6762 16.6762 17.1434 17.1434 18.7943 18.7943 20.2383 20.2383 21.3758 21.3758 22.9808 22.9808 k = 0.2768 0.2768-0.0000 ( 2426 PWs) bands (ev): -4.7052 -4.7052 -4.6987 -4.6987 -3.6833 -3.6833 -3.6764 -3.6764 -3.6664 -3.6664 7.3785 7.3785 11.0204 11.0204 11.4595 11.4595 12.0310 12.0310 12.2108 12.2108 12.5608 12.5608 12.9196 12.9196 13.1775 13.1775 13.7486 13.7486 14.4471 14.4471 15.3779 15.3779 15.5470 15.5470 15.7183 15.7183 15.9890 15.9890 16.3528 16.3528 16.6979 16.6979 17.1905 17.1905 18.7857 18.7857 20.3603 20.3603 21.2180 21.2180 23.0429 23.0429 k = 0.2679 0.2679-0.0000 ( 2438 PWs) bands (ev): -4.7057 -4.7057 -4.6992 -4.6992 -3.6837 -3.6837 -3.6767 -3.6767 -3.6676 -3.6676 7.2899 7.2899 11.0405 11.0405 11.4894 11.4894 12.0207 12.0207 12.1912 12.1912 12.5311 12.5311 12.8782 12.8782 13.2136 13.2136 13.8209 13.8209 14.4192 14.4192 15.3854 15.3854 15.6000 15.6000 15.7505 15.7505 16.0326 16.0326 16.3875 16.3875 16.7185 16.7185 17.2375 17.2375 18.7759 18.7759 20.4790 20.4790 21.0648 21.0648 23.1107 23.1107 k = 0.2589 0.2589-0.0000 ( 2430 PWs) bands (ev): -4.7063 -4.7063 -4.6998 -4.6998 -3.6842 -3.6842 -3.6770 -3.6770 -3.6689 -3.6689 7.2026 7.2026 11.0567 11.0567 11.5181 11.5181 12.0101 12.0101 12.1766 12.1766 12.5015 12.5015 12.8347 12.8347 13.2548 13.2548 13.8980 13.8980 14.3925 14.3925 15.3872 15.3872 15.6555 15.6555 15.7871 15.7871 16.0751 16.0751 16.4233 16.4233 16.7380 16.7380 17.2843 17.2843 18.7648 18.7648 20.5849 20.5849 20.9249 20.9249 23.1837 23.1837 k = 0.2500 0.2500-0.0000 ( 2430 PWs) bands (ev): -4.7069 -4.7069 -4.7004 -4.7004 -3.6847 -3.6847 -3.6773 -3.6773 -3.6702 -3.6702 7.1166 7.1166 11.0683 11.0683 11.5456 11.5456 12.0000 12.0000 12.1665 12.1665 12.4720 12.4720 12.7903 12.7903 13.2997 13.2997 13.9793 13.9793 14.3681 14.3681 15.3858 15.3858 15.7107 15.7107 15.8282 15.8282 16.1164 16.1164 16.4602 16.4602 16.7565 16.7565 17.3306 17.3306 18.7523 18.7523 20.6271 20.6271 20.8484 20.8484 23.2612 23.2612 k = 0.2411 0.2411-0.0000 ( 2432 PWs) bands (ev): -4.7075 -4.7075 -4.7010 -4.7010 -3.6852 -3.6852 -3.6776 -3.6776 -3.6716 -3.6716 7.0323 7.0323 11.0747 11.0747 11.5718 11.5718 11.9913 11.9913 12.1601 12.1601 12.4428 12.4428 12.7460 12.7460 13.3476 13.3476 14.0644 14.0644 14.3468 14.3468 15.3824 15.3824 15.7640 15.7640 15.8735 15.8735 16.1564 16.1564 16.4981 16.4981 16.7744 16.7744 17.3763 17.3763 18.7382 18.7382 20.5354 20.5354 20.9043 20.9043 23.3423 23.3423 k = 0.2321 0.2321-0.0000 ( 2432 PWs) bands (ev): -4.7080 -4.7080 -4.7017 -4.7017 -3.6857 -3.6857 -3.6779 -3.6779 -3.6729 -3.6729 6.9498 6.9498 11.0755 11.0755 11.5969 11.5969 11.9845 11.9845 12.1569 12.1569 12.4139 12.4139 12.7020 12.7020 13.3981 13.3981 14.1529 14.1529 14.3298 14.3298 15.3780 15.3780 15.8147 15.8147 15.9225 15.9225 16.1951 16.1951 16.5365 16.5365 16.7919 16.7919 17.4213 17.4213 18.7225 18.7225 20.3980 20.3980 21.0035 21.0035 23.4257 23.4257 k = 0.2232 0.2232-0.0000 ( 2424 PWs) bands (ev): -4.7086 -4.7086 -4.7024 -4.7024 -3.6862 -3.6862 -3.6783 -3.6783 -3.6742 -3.6742 6.8692 6.8692 11.0709 11.0709 11.6209 11.6209 11.9798 11.9798 12.1562 12.1562 12.3854 12.3854 12.6589 12.6589 13.4508 13.4508 14.2438 14.2438 14.3183 14.3183 15.3732 15.3732 15.8629 15.8629 15.9742 15.9742 16.2325 16.2325 16.5751 16.5751 16.8094 16.8094 17.4654 17.4654 18.7050 18.7050 20.2535 20.2535 21.1065 21.1065 23.5091 23.5091 k = 0.2143 0.2143-0.0000 ( 2416 PWs) bands (ev): -4.7092 -4.7092 -4.7032 -4.7032 -3.6868 -3.6868 -3.6787 -3.6787 -3.6756 -3.6756 6.7909 6.7909 11.0610 11.0610 11.6440 11.6440 11.9770 11.9770 12.1574 12.1574 12.3574 12.3574 12.6166 12.6166 13.5055 13.5055 14.3080 14.3080 14.3417 14.3417 15.3685 15.3685 15.9091 15.9091 16.0270 16.0270 16.2689 16.2689 16.6128 16.6128 16.8278 16.8278 17.5084 17.5084 18.6857 18.6857 20.1086 20.1086 21.2055 21.2055 23.5892 23.5892 k = 0.2054 0.2054-0.0000 ( 2412 PWs) bands (ev): -4.7098 -4.7098 -4.7039 -4.7039 -3.6874 -3.6874 -3.6791 -3.6791 -3.6769 -3.6769 6.7148 6.7148 11.0464 11.0464 11.6663 11.6663 11.9758 11.9758 12.1599 12.1599 12.3299 12.3299 12.5756 12.5756 13.5622 13.5622 14.3099 14.3099 14.4357 14.4357 15.3645 15.3645 15.9538 15.9538 16.0798 16.0798 16.3042 16.3042 16.6486 16.6486 16.8478 16.8478 17.5503 17.5503 18.6644 18.6644 19.9654 19.9654 21.2975 21.2975 23.6611 23.6611 k = 0.1964 0.1964-0.0000 ( 2424 PWs) bands (ev): -4.7103 -4.7103 -4.7047 -4.7047 -3.6880 -3.6880 -3.6795 -3.6795 -3.6783 -3.6783 6.6412 6.6412 11.0276 11.0276 11.6877 11.6877 11.9755 11.9755 12.1633 12.1633 12.3030 12.3030 12.5358 12.5358 13.6207 13.6207 14.3169 14.3169 14.5326 14.5326 15.3616 15.3616 15.9971 15.9971 16.1315 16.1315 16.3389 16.3389 16.6810 16.6810 16.8708 16.8708 17.5907 17.5907 18.6410 18.6410 19.8248 19.8248 21.3806 21.3806 23.7179 23.7179 k = 0.1875 0.1875-0.0000 ( 2430 PWs) bands (ev): -4.7109 -4.7109 -4.7055 -4.7055 -3.6886 -3.6886 -3.6799 -3.6799 -3.6796 -3.6796 6.5702 6.5702 11.0056 11.0056 11.7082 11.7082 11.9759 11.9759 12.1668 12.1668 12.2768 12.2768 12.4974 12.4974 13.6811 13.6811 14.3307 14.3307 14.6301 14.6301 15.3606 15.3606 16.0392 16.0392 16.1812 16.1812 16.3730 16.3730 16.7088 16.7088 16.8979 16.8979 17.6297 17.6297 18.6154 18.6154 19.6874 19.6874 21.4533 21.4533 23.7536 23.7536 k = 0.1786 0.1786-0.0000 ( 2430 PWs) bands (ev): -4.7114 -4.7114 -4.7064 -4.7064 -3.6891 -3.6891 -3.6809 -3.6809 -3.6803 -3.6803 6.5019 6.5019 10.9810 10.9810 11.7279 11.7279 11.9765 11.9765 12.1699 12.1699 12.2514 12.2514 12.4606 12.4606 13.7435 13.7435 14.3513 14.3513 14.7269 14.7269 15.3624 15.3624 16.0800 16.0800 16.2287 16.2287 16.4065 16.4065 16.7310 16.7310 16.9296 16.9296 17.6669 17.6669 18.5876 18.5876 19.5537 19.5537 21.5142 21.5142 23.7678 23.7678 k = 0.1696 0.1696-0.0000 ( 2432 PWs) bands (ev): -4.7120 -4.7120 -4.7072 -4.7072 -3.6897 -3.6897 -3.6822 -3.6822 -3.6808 -3.6808 6.4363 6.4363 10.9545 10.9545 11.7467 11.7467 11.9772 11.9772 12.1721 12.1721 12.2267 12.2267 12.4255 12.4255 13.8079 13.8079 14.3786 14.3786 14.8215 14.8215 15.3683 15.3683 16.1192 16.1192 16.2735 16.2735 16.4394 16.4394 16.7478 16.7478 16.9657 16.9657 17.7022 17.7022 18.5574 18.5574 19.4245 19.4245 21.5618 21.5618 23.7671 23.7671 k = 0.1607 0.1607-0.0000 ( 2430 PWs) bands (ev): -4.7125 -4.7125 -4.7080 -4.7080 -3.6903 -3.6903 -3.6835 -3.6835 -3.6812 -3.6812 6.3737 6.3737 10.9268 10.9268 11.7646 11.7646 11.9778 11.9778 12.1731 12.1731 12.2030 12.2030 12.3920 12.3920 13.8745 13.8745 14.4120 14.4120 14.9115 14.9115 15.3804 15.3804 16.1567 16.1567 16.3158 16.3158 16.4711 16.4711 16.7599 16.7599 17.0053 17.0053 17.7352 17.7352 18.5248 18.5248 19.3002 19.3002 21.5952 21.5952 23.7596 23.7596 k = 0.1518 0.1518-0.0000 ( 2434 PWs) bands (ev): -4.7130 -4.7130 -4.7089 -4.7089 -3.6909 -3.6909 -3.6848 -3.6848 -3.6816 -3.6816 6.3140 6.3140 10.8985 10.8985 11.7816 11.7816 11.9780 11.9780 12.1726 12.1726 12.1803 12.1803 12.3603 12.3603 13.9432 13.9432 14.4508 14.4508 14.9937 14.9937 15.4018 15.4018 16.1922 16.1922 16.3558 16.3558 16.5010 16.5010 16.7683 16.7683 17.0472 17.0472 17.7656 17.7656 18.4899 18.4899 19.1815 19.1815 21.6134 21.6134 23.7515 23.7515 k = 0.1429 0.1429-0.0000 ( 2432 PWs) bands (ev): -4.7135 -4.7135 -4.7097 -4.7097 -3.6915 -3.6915 -3.6860 -3.6860 -3.6821 -3.6821 6.2573 6.2573 10.8699 10.8699 11.7976 11.7976 11.9778 11.9778 12.1583 12.1583 12.1712 12.1712 12.3305 12.3305 14.0141 14.0141 14.4941 14.4941 15.0641 15.0641 15.4363 15.4363 16.2254 16.2254 16.3936 16.3936 16.5285 16.5285 16.7738 16.7738 17.0903 17.0903 17.7930 17.7930 18.4528 18.4528 19.0691 19.0691 21.6161 21.6161 23.7463 23.7463 k = 0.1339 0.1339-0.0000 ( 2428 PWs) bands (ev): -4.7139 -4.7139 -4.7105 -4.7105 -3.6921 -3.6921 -3.6872 -3.6872 -3.6825 -3.6825 6.2038 6.2038 10.8416 10.8416 11.8125 11.8125 11.9771 11.9771 12.1379 12.1379 12.1680 12.1680 12.3025 12.3025 14.0869 14.0869 14.5408 14.5408 15.1198 15.1198 15.4869 15.4869 16.2563 16.2563 16.4295 16.4295 16.5526 16.5526 16.7772 16.7772 17.1339 17.1339 17.8165 17.8165 18.4140 18.4140 18.9638 18.9638 21.6036 21.6036 23.7462 23.7462 k = 0.1250 0.1250-0.0000 ( 2424 PWs) bands (ev): -4.7144 -4.7144 -4.7113 -4.7113 -3.6926 -3.6926 -3.6883 -3.6883 -3.6829 -3.6829 6.1534 6.1534 10.8139 10.8139 11.8264 11.8264 11.9757 11.9757 12.1189 12.1189 12.1637 12.1637 12.2764 12.2764 14.1615 14.1615 14.5897 14.5897 15.1613 15.1613 15.5529 15.5529 16.2848 16.2848 16.4636 16.4636 16.5726 16.5726 16.7791 16.7791 17.1773 17.1773 17.8353 17.8353 18.3744 18.3744 18.8660 18.8660 21.5766 21.5766 23.7523 23.7523 k = 0.1161 0.1161-0.0000 ( 2430 PWs) bands (ev): -4.7148 -4.7148 -4.7121 -4.7121 -3.6931 -3.6931 -3.6894 -3.6894 -3.6833 -3.6833 6.1063 6.1063 10.7871 10.7871 11.8392 11.8392 11.9735 11.9735 12.1014 12.1014 12.1586 12.1586 12.2523 12.2523 14.2374 14.2374 14.6395 14.6395 15.1924 15.1924 15.6306 15.6306 16.3110 16.3110 16.4955 16.4955 16.5877 16.5877 16.7800 16.7800 17.2198 17.2198 17.8481 17.8481 18.3354 18.3354 18.7764 18.7764 21.5369 21.5369 23.7649 23.7649 k = 0.1071 0.1071-0.0000 ( 2434 PWs) bands (ev): -4.7152 -4.7152 -4.7128 -4.7128 -3.6937 -3.6937 -3.6904 -3.6904 -3.6837 -3.6837 6.0625 6.0625 10.7614 10.7614 11.8509 11.8509 11.9702 11.9702 12.0857 12.0857 12.1529 12.1529 12.2301 12.2301 14.3141 14.3141 14.6888 14.6888 15.2178 15.2178 15.7153 15.7153 16.3352 16.3352 16.5246 16.5246 16.5981 16.5981 16.7799 16.7799 17.2610 17.2610 17.8532 17.8532 18.2992 18.2992 18.6949 18.6949 21.4865 21.4865 23.7838 23.7838 k = 0.0982 0.0982-0.0000 ( 2433 PWs) bands (ev): -4.7155 -4.7155 -4.7135 -4.7135 -3.6941 -3.6941 -3.6914 -3.6914 -3.6840 -3.6840 6.0220 6.0220 10.7371 10.7371 11.8615 11.8615 11.9659 11.9659 12.0719 12.0719 12.1469 12.1469 12.2099 12.2099 14.3909 14.3909 14.7362 14.7362 15.2412 15.2412 15.8035 15.8035 16.3576 16.3576 16.5491 16.5491 16.6050 16.6050 16.7790 16.7790 17.3004 17.3004 17.8490 17.8490 18.2682 18.2682 18.6215 18.6215 21.4280 21.4280 23.8085 23.8085 k = 0.0893 0.0893-0.0000 ( 2435 PWs) bands (ev): -4.7159 -4.7159 -4.7142 -4.7142 -3.6946 -3.6946 -3.6923 -3.6923 -3.6843 -3.6843 5.9849 5.9849 10.7143 10.7143 11.8709 11.8709 11.9606 11.9606 12.0601 12.0601 12.1410 12.1410 12.1917 12.1917 14.4672 14.4672 14.7802 14.7802 15.2653 15.2653 15.8926 15.8926 16.3784 16.3784 16.5642 16.5642 16.6130 16.6130 16.7767 16.7767 17.3377 17.3377 17.8346 17.8346 18.2448 18.2448 18.5557 18.5557 21.3640 21.3640 23.8385 23.8385 k = 0.0804 0.0804-0.0000 ( 2435 PWs) bands (ev): -4.7162 -4.7162 -4.7148 -4.7148 -3.6950 -3.6950 -3.6932 -3.6932 -3.6846 -3.6846 5.9512 5.9512 10.6933 10.6933 11.8792 11.8792 11.9543 11.9543 12.0502 12.0502 12.1353 12.1353 12.1755 12.1755 14.5420 14.5420 14.8195 14.8195 15.2914 15.2914 15.9808 15.9808 16.3979 16.3979 16.5656 16.5656 16.6267 16.6267 16.7725 16.7725 17.3724 17.3724 17.8107 17.8107 18.2296 18.2296 18.4968 18.4968 21.2972 21.2972 23.8728 23.8728 k = 0.0714 0.0714-0.0000 ( 2449 PWs) bands (ev): -4.7165 -4.7165 -4.7153 -4.7153 -3.6954 -3.6954 -3.6939 -3.6939 -3.6849 -3.6849 5.9210 5.9210 10.6741 10.6741 11.8864 11.8864 11.9473 11.9473 12.0420 12.0420 12.1301 12.1301 12.1613 12.1613 14.6144 14.6144 14.8534 14.8534 15.3202 15.3202 16.0667 16.0667 16.4164 16.4164 16.5568 16.5568 16.6433 16.6433 16.7660 16.7660 17.4042 17.4042 17.7795 17.7795 18.2220 18.2220 18.4443 18.4443 21.2303 21.2303 23.9106 23.9106 k = 0.0625 0.0625-0.0000 ( 2449 PWs) bands (ev): -4.7167 -4.7167 -4.7158 -4.7158 -3.6957 -3.6957 -3.6946 -3.6946 -3.6852 -3.6852 5.8943 5.8943 10.6570 10.6570 11.8925 11.8925 11.9401 11.9401 12.0351 12.0351 12.1256 12.1256 12.1490 12.1490 14.6834 14.6834 14.8814 14.8814 15.3512 15.3512 16.1489 16.1489 16.4340 16.4340 16.5424 16.5424 16.6587 16.6587 16.7568 16.7568 17.4329 17.4329 17.7442 17.7442 18.2199 18.2199 18.3977 18.3977 21.1656 21.1656 23.9510 23.9510 k = 0.0536 0.0536-0.0000 ( 2449 PWs) bands (ev): -4.7170 -4.7170 -4.7163 -4.7163 -3.6961 -3.6961 -3.6952 -3.6952 -3.6854 -3.6854 5.8711 5.8711 10.6419 10.6419 11.8975 11.8975 11.9331 11.9331 12.0295 12.0295 12.1217 12.1217 12.1386 12.1386 14.7476 14.7476 14.9038 14.9038 15.3835 15.3835 16.2263 16.2263 16.4505 16.4505 16.5258 16.5258 16.6710 16.6710 16.7449 16.7449 17.4582 17.4582 17.7080 17.7080 18.2214 18.2214 18.3569 18.3569 21.1052 21.1052 23.9928 23.9928 k = 0.0446 0.0446-0.0000 ( 2453 PWs) bands (ev): -4.7171 -4.7171 -4.7167 -4.7167 -3.6963 -3.6963 -3.6957 -3.6957 -3.6856 -3.6856 5.8514 5.8514 10.6290 10.6290 11.9016 11.9016 11.9265 11.9265 12.0248 12.0248 12.1185 12.1185 12.1301 12.1301 14.8057 14.8057 14.9211 14.9211 15.4154 15.4154 16.2971 16.2971 16.4650 16.4650 16.5107 16.5107 16.6792 16.6792 16.7305 16.7305 17.4798 17.4798 17.6733 17.6733 18.2249 18.2249 18.3218 18.3218 21.0511 21.0511 24.0346 24.0346 k = 0.0357 0.0357-0.0000 ( 2461 PWs) bands (ev): -4.7173 -4.7173 -4.7170 -4.7170 -3.6965 -3.6965 -3.6962 -3.6962 -3.6857 -3.6857 5.8353 5.8353 10.6184 10.6184 11.9047 11.9047 11.9208 11.9208 12.0209 12.0209 12.1160 12.1160 12.1234 12.1234 14.8562 14.8562 14.9340 14.9340 15.4449 15.4449 16.3579 16.3579 16.4737 16.4737 16.5044 16.5044 16.6829 16.6829 16.7144 16.7144 17.4975 17.4975 17.6424 17.6424 18.2290 18.2290 18.2925 18.2925 21.0046 21.0046 24.0745 24.0746 k = 0.0268 0.0268-0.0000 ( 2457 PWs) bands (ev): -4.7174 -4.7174 -4.7172 -4.7172 -3.6967 -3.6967 -3.6965 -3.6965 -3.6858 -3.6858 5.8227 5.8227 10.6101 10.6101 11.9071 11.9071 11.9162 11.9162 12.0178 12.0178 12.1142 12.1142 12.1182 12.1182 14.8977 14.8977 14.9433 14.9433 15.4703 15.4703 16.4003 16.4003 16.4799 16.4799 16.5119 16.5119 16.6817 16.6817 16.6978 16.6978 17.5112 17.5112 17.6168 17.6168 18.2330 18.2330 18.2693 18.2693 20.9672 20.9672 24.1102 24.1102 k = 0.0179 0.0179-0.0000 ( 2469 PWs) bands (ev): -4.7175 -4.7175 -4.7174 -4.7174 -3.6968 -3.6968 -3.6967 -3.6967 -3.6859 -3.6859 5.8138 5.8138 10.6041 10.6041 11.9087 11.9087 11.9128 11.9128 12.0156 12.0156 12.1129 12.1129 12.1147 12.1147 14.9286 14.9286 14.9495 14.9495 15.4898 15.4898 16.4142 16.4142 16.5014 16.5014 16.5237 16.5237 16.6764 16.6764 16.6824 16.6824 17.5207 17.5207 17.5979 17.5979 18.2362 18.2362 18.2525 18.2525 20.9397 20.9397 24.1387 24.1388 k = 0.0089 0.0089-0.0000 ( 2469 PWs) bands (ev): -4.7176 -4.7176 -4.7175 -4.7175 -3.6969 -3.6969 -3.6969 -3.6969 -3.6860 -3.6860 5.8084 5.8084 10.6005 10.6005 11.9096 11.9096 11.9107 11.9107 12.0143 12.0143 12.1121 12.1121 12.1126 12.1126 14.9477 14.9477 14.9530 14.9530 15.5021 15.5021 16.4136 16.4136 16.5265 16.5265 16.5333 16.5333 16.6696 16.6696 16.6708 16.6708 17.5262 17.5262 17.5864 17.5864 18.2382 18.2382 18.2423 18.2423 20.9230 20.9230 24.1574 24.1574 k = 0.0000 0.0000 0.0000 ( 2469 PWs) bands (ev): -4.7176 -4.7176 -4.7176 -4.7176 -3.6969 -3.6969 -3.6969 -3.6969 -3.6860 -3.6860 5.8066 5.8066 10.5993 10.5993 11.9100 11.9100 11.9100 11.9100 12.0138 12.0138 12.1119 12.1119 12.1119 12.1119 14.9542 14.9542 14.9542 14.9542 15.5063 15.5063 16.4124 16.4124 16.5370 16.5370 16.5370 16.5370 16.6662 16.6662 16.6662 16.6662 17.5279 17.5279 17.5826 17.5826 18.2389 18.2389 18.2389 18.2389 20.9174 20.9174 24.1639 24.1639 k = 0.0000 0.0000 0.0000 ( 2469 PWs) bands (ev): -4.7176 -4.7176 -4.7176 -4.7176 -3.6969 -3.6969 -3.6969 -3.6969 -3.6860 -3.6860 5.8066 5.8066 10.5993 10.5993 11.9100 11.9100 11.9100 11.9100 12.0138 12.0138 12.1119 12.1119 12.1119 12.1119 14.9542 14.9542 14.9542 14.9542 15.5063 15.5063 16.4124 16.4124 16.5370 16.5370 16.5370 16.5370 16.6662 16.6662 16.6662 16.6662 17.5279 17.5279 17.5826 17.5826 18.2389 18.2389 18.2389 18.2389 20.9174 20.9174 24.1639 24.1639 k = 0.0072 0.0072 0.0072 ( 2469 PWs) bands (ev): -4.7176 -4.7176 -4.7175 -4.7175 -3.6969 -3.6969 -3.6969 -3.6969 -3.6860 -3.6860 5.8083 5.8083 10.6004 10.6004 11.9101 11.9101 11.9103 11.9103 12.0143 12.0143 12.1122 12.1122 12.1125 12.1125 14.9475 14.9475 14.9533 14.9533 15.5021 15.5021 16.4136 16.4136 16.5283 16.5283 16.5316 16.5316 16.6697 16.6697 16.6706 16.6706 17.5262 17.5262 17.5863 17.5863 18.2379 18.2379 18.2426 18.2426 20.9229 20.9229 24.1587 24.1609 k = 0.0145 0.0145 0.0145 ( 2469 PWs) bands (ev): -4.7175 -4.7175 -4.7174 -4.7174 -3.6968 -3.6968 -3.6968 -3.6968 -3.6859 -3.6859 5.8137 5.8137 10.6040 10.6040 11.9103 11.9103 11.9111 11.9111 12.0156 12.0156 12.1130 12.1130 12.1145 12.1145 14.9278 14.9278 14.9506 14.9506 15.4899 15.4899 16.4148 16.4148 16.5048 16.5048 16.5206 16.5206 16.6775 16.6775 16.6806 16.6806 17.5207 17.5207 17.5979 17.5979 18.2350 18.2350 18.2536 18.2536 20.9396 20.9396 24.1425 24.1425 k = 0.0217 0.0217 0.0217 ( 2463 PWs) bands (ev): -4.7174 -4.7174 -4.7173 -4.7173 -3.6967 -3.6967 -3.6965 -3.6965 -3.6858 -3.6858 5.8225 5.8225 10.6099 10.6099 11.9107 11.9107 11.9126 11.9126 12.0178 12.0178 12.1145 12.1145 12.1177 12.1177 14.8955 14.8955 14.9462 14.9462 15.4704 15.4704 16.4090 16.4090 16.4711 16.4711 16.5153 16.5153 16.6853 16.6853 16.6914 16.6914 17.5108 17.5108 17.6173 17.6173 18.2302 18.2302 18.2715 18.2715 20.9672 20.9672 24.1176 24.1176 k = 0.0290 0.0290 0.0290 ( 2451 PWs) bands (ev): -4.7173 -4.7173 -4.7170 -4.7170 -3.6965 -3.6965 -3.6962 -3.6962 -3.6857 -3.6857 5.8349 5.8349 10.6182 10.6182 11.9112 11.9112 11.9146 11.9146 12.0207 12.0207 12.1168 12.1168 12.1224 12.1224 14.8517 14.8517 14.9401 14.9401 15.4444 15.4444 16.3905 16.3905 16.4302 16.4302 16.5234 16.5234 16.6907 16.6907 16.6998 16.6998 17.4965 17.4965 17.6440 17.6440 18.2240 18.2240 18.2959 18.2959 21.0055 21.0055 24.0857 24.0857 k = 0.0362 0.0362 0.0362 ( 2451 PWs) bands (ev): -4.7171 -4.7171 -4.7167 -4.7167 -3.6962 -3.6962 -3.6958 -3.6958 -3.6856 -3.6856 5.8509 5.8509 10.6287 10.6287 11.9116 11.9116 11.9170 11.9170 12.0242 12.0242 12.1200 12.1200 12.1283 12.1283 14.7974 14.7974 14.9322 14.9322 15.4130 15.4130 16.3624 16.3624 16.3838 16.3838 16.5426 16.5426 16.6927 16.6927 16.7040 16.7040 17.4776 17.4776 17.6768 17.6768 18.2167 18.2167 18.3262 18.3262 21.0542 21.0542 24.0488 24.0488 k = 0.0435 0.0435 0.0435 ( 2451 PWs) bands (ev): -4.7169 -4.7169 -4.7163 -4.7163 -3.6959 -3.6959 -3.6954 -3.6954 -3.6854 -3.6854 5.8703 5.8703 10.6415 10.6415 11.9119 11.9119 11.9198 11.9198 12.0282 12.0282 12.1243 12.1243 12.1358 12.1358 14.7340 14.7340 14.9228 14.9228 15.3771 15.3771 16.3296 16.3296 16.3330 16.3330 16.5675 16.5675 16.6907 16.6907 16.7037 16.7037 17.4544 17.4544 17.7145 17.7145 18.2089 18.2089 18.3617 18.3617 21.1128 21.1128 24.0089 24.0089 k = 0.0507 0.0507 0.0507 ( 2439 PWs) bands (ev): -4.7167 -4.7167 -4.7159 -4.7159 -3.6956 -3.6956 -3.6948 -3.6948 -3.6852 -3.6852 5.8932 5.8932 10.6564 10.6564 11.9120 11.9120 11.9230 11.9230 12.0325 12.0325 12.1300 12.1300 12.1446 12.1446 14.6629 14.6629 14.9117 14.9117 15.3375 15.3375 16.2785 16.2785 16.2947 16.2947 16.5945 16.5945 16.6850 16.6850 16.6989 16.6989 17.4268 17.4268 17.7555 17.7555 18.2015 18.2015 18.4016 18.4016 21.1809 21.1809 23.9677 23.9677 k = 0.0580 0.0580 0.0580 ( 2436 PWs) bands (ev): -4.7165 -4.7165 -4.7154 -4.7154 -3.6952 -3.6952 -3.6942 -3.6942 -3.6849 -3.6849 5.9196 5.9196 10.6734 10.6734 11.9117 11.9117 11.9264 11.9264 12.0368 12.0368 12.1374 12.1374 12.1550 12.1550 14.5855 14.5855 14.8991 14.8991 15.2948 15.2948 16.2211 16.2211 16.2590 16.2590 16.6205 16.6205 16.6757 16.6757 16.6909 16.6909 17.3950 17.3950 17.7981 17.7981 18.1954 18.1954 18.4452 18.4452 21.2576 21.2576 23.9265 23.9265 k = 0.0652 0.0652 0.0652 ( 2436 PWs) bands (ev): -4.7162 -4.7162 -4.7148 -4.7148 -3.6948 -3.6948 -3.6935 -3.6935 -3.6847 -3.6847 5.9495 5.9495 10.6924 10.6924 11.9109 11.9109 11.9299 11.9299 12.0409 12.0409 12.1467 12.1467 12.1669 12.1669 14.5031 14.5031 14.8850 14.8850 15.2498 15.2498 16.1612 16.1612 16.2232 16.2232 16.6391 16.6391 16.6632 16.6632 16.6850 16.6850 17.3589 17.3589 17.8402 17.8402 18.1923 18.1923 18.4916 18.4916 21.3423 21.3423 23.8864 23.8864 k = 0.0725 0.0725 0.0725 ( 2442 PWs) bands (ev): -4.7159 -4.7159 -4.7142 -4.7142 -3.6943 -3.6943 -3.6927 -3.6927 -3.6844 -3.6844 5.9827 5.9827 10.7133 10.7133 11.9095 11.9095 11.9336 11.9336 12.0447 12.0447 12.1580 12.1580 12.1803 12.1803 14.4170 14.4170 14.8693 14.8693 15.2029 15.2029 16.0993 16.0993 16.1875 16.1875 16.6365 16.6365 16.6479 16.6479 16.6945 16.6945 17.3188 17.3188 17.8792 17.8792 18.1942 18.1942 18.5401 18.5401 21.4340 21.4340 23.8481 23.8481 k = 0.0797 0.0797 0.0797 ( 2436 PWs) bands (ev): -4.7156 -4.7156 -4.7136 -4.7136 -3.6938 -3.6938 -3.6918 -3.6918 -3.6840 -3.6840 6.0193 6.0193 10.7358 10.7358 11.9074 11.9074 11.9374 11.9374 12.0482 12.0482 12.1715 12.1715 12.1953 12.1953 14.3283 14.3283 14.8522 14.8522 15.1545 15.1545 16.0359 16.0359 16.1520 16.1520 16.6175 16.6175 16.6303 16.6303 16.7145 16.7145 17.2746 17.2746 17.9124 17.9124 18.2034 18.2034 18.5900 18.5900 21.5318 21.5318 23.8120 23.8120 k = 0.0870 0.0870 0.0870 ( 2436 PWs) bands (ev): -4.7152 -4.7152 -4.7129 -4.7129 -3.6933 -3.6933 -3.6909 -3.6909 -3.6837 -3.6837 6.0593 6.0593 10.7598 10.7598 11.9045 11.9045 11.9411 11.9411 12.0512 12.0512 12.1871 12.1871 12.2118 12.2118 14.2381 14.2381 14.8334 14.8334 15.1051 15.1051 15.9714 15.9714 16.1166 16.1166 16.5917 16.5917 16.6106 16.6106 16.7355 16.7355 17.2267 17.2267 17.9372 17.9372 18.2220 18.2220 18.6406 18.6406 21.6343 21.6343 23.7783 23.7783 k = 0.0942 0.0942 0.0942 ( 2433 PWs) bands (ev): -4.7148 -4.7148 -4.7121 -4.7121 -3.6928 -3.6928 -3.6900 -3.6900 -3.6833 -3.6833 6.1025 6.1025 10.7851 10.7851 11.9008 11.9008 11.9448 11.9448 12.0540 12.0540 12.2048 12.2048 12.2299 12.2299 14.1474 14.1474 14.8131 14.8131 15.0549 15.0549 15.9065 15.9065 16.0813 16.0813 16.5618 16.5618 16.5894 16.5894 16.7549 16.7549 17.1751 17.1751 17.9528 17.9528 18.2507 18.2507 18.6911 18.6911 21.7404 21.7404 23.7471 23.7471 k = 0.1014 0.1014 0.1014 ( 2433 PWs) bands (ev): -4.7144 -4.7144 -4.7114 -4.7114 -3.6922 -3.6922 -3.6890 -3.6890 -3.6829 -3.6829 6.1490 6.1490 10.8113 10.8113 11.8962 11.8962 11.9485 11.9485 12.0565 12.0565 12.2246 12.2246 12.2495 12.2495 14.0573 14.0573 14.7909 14.7909 15.0043 15.0043 15.8416 15.8416 16.0461 16.0461 16.5285 16.5285 16.5670 16.5670 16.7721 16.7721 17.1202 17.1202 17.9602 17.9602 18.2877 18.2877 18.7411 18.7411 21.8485 21.8485 23.7181 23.7181 k = 0.1087 0.1087 0.1087 ( 2439 PWs) bands (ev): -4.7140 -4.7140 -4.7106 -4.7106 -3.6916 -3.6916 -3.6879 -3.6879 -3.6824 -3.6824 6.1986 6.1986 10.8382 10.8382 11.8907 11.8907 11.9521 11.9521 12.0589 12.0589 12.2462 12.2462 12.2706 12.2706 13.9685 13.9685 14.7668 14.7668 14.9533 14.9533 15.7772 15.7772 16.0110 16.0110 16.4927 16.4927 16.5437 16.5437 16.7871 16.7871 17.0622 17.0622 17.9617 17.9617 18.3305 18.3305 18.7900 18.7900 21.9569 21.9569 23.6910 23.6910 k = 0.1159 0.1159 0.1159 ( 2439 PWs) bands (ev): -4.7136 -4.7136 -4.7098 -4.7098 -3.6910 -3.6910 -3.6868 -3.6868 -3.6820 -3.6820 6.2513 6.2513 10.8652 10.8652 11.8845 11.8845 11.9556 11.9556 12.0613 12.0613 12.2696 12.2696 12.2931 12.2931 13.8819 13.8819 14.7404 14.7404 14.9022 14.9022 15.7141 15.7141 15.9760 15.9760 16.4545 16.4545 16.5198 16.5198 16.7997 16.7997 17.0017 17.0017 17.9594 17.9594 18.3765 18.3765 18.8371 18.8371 22.0636 22.0636 23.6650 23.6650 k = 0.1232 0.1232 0.1232 ( 2424 PWs) bands (ev): -4.7131 -4.7131 -4.7089 -4.7089 -3.6904 -3.6904 -3.6857 -3.6857 -3.6815 -3.6815 6.3071 6.3071 10.8917 10.8917 11.8778 11.8778 11.9590 11.9590 12.0637 12.0637 12.2947 12.2947 12.3169 12.3169 13.7983 13.7983 14.7115 14.7115 14.8509 14.8509 15.6528 15.6528 15.9412 15.9412 16.4145 16.4145 16.4957 16.4957 16.8100 16.8100 16.9389 16.9389 17.9549 17.9549 18.4239 18.4239 18.8821 18.8821 22.1664 22.1664 23.6395 23.6395 k = 0.1304 0.1304 0.1304 ( 2424 PWs) bands (ev): -4.7127 -4.7127 -4.7081 -4.7081 -3.6899 -3.6899 -3.6846 -3.6846 -3.6810 -3.6810 6.3659 6.3659 10.9172 10.9172 11.8709 11.8709 11.9623 11.9623 12.0662 12.0662 12.3213 12.3213 12.3419 12.3419 13.7184 13.7184 14.6797 14.6797 14.7995 14.7995 15.5942 15.5942 15.9069 15.9069 16.3728 16.3728 16.4715 16.4715 16.8174 16.8174 16.8753 16.8753 17.9490 17.9490 18.4712 18.4712 18.9245 18.9245 22.2628 22.2628 23.6134 23.6134 k = 0.1377 0.1377 0.1377 ( 2424 PWs) bands (ev): -4.7122 -4.7122 -4.7072 -4.7072 -3.6893 -3.6893 -3.6834 -3.6834 -3.6805 -3.6805 6.4275 6.4275 10.9408 10.9408 11.8644 11.8644 11.9656 11.9656 12.0688 12.0688 12.3494 12.3494 12.3682 12.3682 13.6429 13.6429 14.6447 14.6447 14.7479 14.7479 15.5388 15.5388 15.8731 15.8731 16.3296 16.3296 16.4476 16.4476 16.8013 16.8013 16.8318 16.8318 17.9424 17.9424 18.5173 18.5173 18.9639 18.9639 22.3501 22.3501 23.5857 23.5857 k = 0.1449 0.1449 0.1449 ( 2421 PWs) bands (ev): -4.7117 -4.7117 -4.7064 -4.7064 -3.6888 -3.6888 -3.6822 -3.6822 -3.6800 -3.6800 6.4920 6.4920 10.9615 10.9615 11.8588 11.8588 11.9688 11.9688 12.0717 12.0717 12.3788 12.3788 12.3955 12.3955 13.5724 13.5724 14.6061 14.6061 14.6961 14.6961 15.4873 15.4873 15.8403 15.8403 16.2851 16.2851 16.4241 16.4241 16.7377 16.7377 16.8333 16.8333 17.9354 17.9354 18.5616 18.5616 18.9999 18.9999 22.4257 22.4257 23.5553 23.5553 k = 0.1522 0.1522 0.1522 ( 2427 PWs) bands (ev): -4.7113 -4.7113 -4.7055 -4.7055 -3.6882 -3.6882 -3.6810 -3.6810 -3.6795 -3.6795 6.5590 6.5590 10.9784 10.9784 11.8550 11.8550 11.9719 11.9719 12.0748 12.0748 12.4095 12.4095 12.4237 12.4237 13.5074 13.5074 14.5637 14.5637 14.6440 14.6440 15.4403 15.4403 15.8086 15.8086 16.2392 16.2392 16.4012 16.4012 16.6706 16.6706 16.8365 16.8365 17.9283 17.9283 18.6034 18.6034 19.0322 19.0322 22.4869 22.4869 23.5209 23.5209 k = 0.1594 0.1594 0.1594 ( 2427 PWs) bands (ev): -4.7108 -4.7108 -4.7047 -4.7047 -3.6877 -3.6877 -3.6798 -3.6798 -3.6789 -3.6789 6.6287 6.6287 10.9902 10.9902 11.8538 11.8538 11.9750 11.9750 12.0784 12.0784 12.4414 12.4414 12.4529 12.4529 13.4483 13.4483 14.5174 14.5174 14.5916 14.5916 15.3982 15.3982 15.7784 15.7784 16.1920 16.1920 16.3791 16.3791 16.6034 16.6034 16.8388 16.8388 17.9213 17.9213 18.6422 18.6422 19.0605 19.0605 22.5315 22.5315 23.4816 23.4816 k = 0.1667 0.1667 0.1667 ( 2448 PWs) bands (ev): -4.7103 -4.7103 -4.7039 -4.7039 -3.6872 -3.6872 -3.6786 -3.6786 -3.6784 -3.6784 6.7007 6.7007 10.9959 10.9959 11.8561 11.8561 11.9780 11.9780 12.0825 12.0825 12.4744 12.4744 12.4827 12.4827 13.3955 13.3955 14.4673 14.4673 14.5387 14.5387 15.3612 15.3612 15.7500 15.7500 16.1432 16.1432 16.3579 16.3579 16.5369 16.5369 16.8402 16.8402 17.9143 17.9143 18.6777 18.6777 19.0846 19.0846 22.5581 22.5581 23.4365 23.4365 k = 0.1739 0.1739 0.1739 ( 2427 PWs) bands (ev): -4.7099 -4.7099 -4.7031 -4.7031 -3.6868 -3.6868 -3.6778 -3.6778 -3.6774 -3.6774 6.7750 6.7750 10.9947 10.9947 11.8626 11.8626 11.9810 11.9810 12.0873 12.0873 12.5084 12.5084 12.5132 12.5132 13.3492 13.3492 14.4137 14.4137 14.4854 14.4854 15.3293 15.3293 15.7236 15.7236 16.0927 16.0927 16.3379 16.3379 16.4720 16.4720 16.8407 16.8407 17.9074 17.9074 18.7095 18.7095 19.1042 19.1042 22.5662 22.5662 23.3852 23.3852 k = 0.1812 0.1812 0.1812 ( 2427 PWs) bands (ev): -4.7094 -4.7094 -4.7023 -4.7023 -3.6864 -3.6864 -3.6772 -3.6772 -3.6762 -3.6762 6.8514 6.8514 10.9860 10.9860 11.8735 11.8735 11.9840 11.9840 12.0932 12.0932 12.5433 12.5433 12.5441 12.5441 13.3096 13.3096 14.3568 14.3568 14.4316 14.4316 15.3025 15.3025 15.6995 15.6995 16.0404 16.0404 16.3191 16.3191 16.4091 16.4091 16.8403 16.8403 17.9006 17.9006 18.7374 18.7374 19.1191 19.1191 22.5561 22.5561 23.3272 23.3272 k = 0.1884 0.1884 0.1884 ( 2422 PWs) bands (ev): -4.7090 -4.7090 -4.7016 -4.7016 -3.6860 -3.6860 -3.6767 -3.6767 -3.6751 -3.6751 6.9298 6.9298 10.9699 10.9699 11.8885 11.8885 11.9870 11.9870 12.1007 12.1007 12.5754 12.5754 12.5790 12.5790 13.2768 13.2768 14.2974 14.2974 14.3775 14.3775 15.2804 15.2804 15.6777 15.6777 15.9864 15.9864 16.3016 16.3016 16.3489 16.3489 16.8394 16.8394 17.8939 17.8939 18.7610 18.7610 19.1291 19.1291 22.5292 22.5292 23.2627 23.2627 k = 0.1957 0.1957 0.1957 ( 2434 PWs) bands (ev): -4.7085 -4.7085 -4.7009 -4.7009 -3.6857 -3.6857 -3.6761 -3.6761 -3.6740 -3.6740 7.0098 7.0098 10.9466 10.9466 11.9066 11.9066 11.9898 11.9898 12.1104 12.1104 12.6068 12.6068 12.6155 12.6155 13.2508 13.2508 14.2361 14.2361 14.3232 14.3232 15.2627 15.2627 15.6579 15.6579 15.9308 15.9308 16.2856 16.2856 16.2919 16.2919 16.8378 16.8378 17.8874 17.8874 18.7803 18.7803 19.1340 19.1340 22.4869 22.4869 23.1919 23.1919 k = 0.2029 0.2029 0.2029 ( 2428 PWs) bands (ev): -4.7081 -4.7081 -4.7003 -4.7003 -3.6855 -3.6855 -3.6755 -3.6755 -3.6729 -3.6729 7.0913 7.0913 10.9170 10.9170 11.9263 11.9263 11.9926 11.9926 12.1234 12.1234 12.6382 12.6382 12.6526 12.6526 13.2316 13.2316 14.1736 14.1736 14.2688 14.2688 15.2488 15.2488 15.6394 15.6394 15.8747 15.8747 16.2382 16.2382 16.2711 16.2711 16.8358 16.8358 17.8809 17.8809 18.7951 18.7951 19.1339 19.1339 22.4314 22.4314 23.1155 23.1155 k = 0.2101 0.2101 0.2101 ( 2422 PWs) bands (ev): -4.7077 -4.7077 -4.6996 -4.6996 -3.6853 -3.6853 -3.6750 -3.6750 -3.6718 -3.6718 7.1739 7.1739 10.8821 10.8821 11.9457 11.9457 11.9952 11.9952 12.1409 12.1409 12.6694 12.6694 12.6902 12.6902 13.2191 13.2191 14.1106 14.1106 14.2147 14.2147 15.2384 15.2384 15.6208 15.6208 15.8198 15.8198 16.1879 16.1879 16.2583 16.2583 16.8334 16.8334 17.8745 17.8745 18.8053 18.8053 19.1285 19.1285 22.3644 22.3644 23.0342 23.0342 k = 0.2174 0.2174 0.2174 ( 2422 PWs) bands (ev): -4.7073 -4.7073 -4.6991 -4.6991 -3.6851 -3.6851 -3.6744 -3.6744 -3.6708 -3.6708 7.2575 7.2575 10.8430 10.8430 11.9627 11.9627 11.9976 11.9976 12.1638 12.1638 12.7002 12.7002 12.7283 12.7283 13.2133 13.2133 14.0479 14.0479 14.1612 14.1612 15.2311 15.2311 15.5989 15.5989 15.7697 15.7697 16.1408 16.1408 16.2472 16.2472 16.8306 16.8306 17.8681 17.8681 18.8107 18.8107 19.1178 19.1178 22.2876 22.2876 22.9490 22.9490 k = 0.2246 0.2246 0.2246 ( 2428 PWs) bands (ev): -4.7069 -4.7069 -4.6986 -4.6986 -3.6850 -3.6850 -3.6739 -3.6739 -3.6698 -3.6698 7.3416 7.3416 10.8011 10.8011 11.9761 11.9761 11.9996 11.9996 12.1924 12.1924 12.7304 12.7304 12.7667 12.7667 13.2142 13.2142 13.9864 13.9864 14.1087 14.1087 15.2263 15.2263 15.5683 15.5683 15.7300 15.7300 16.0968 16.0968 16.2379 16.2379 16.8276 16.8276 17.8617 17.8617 18.8113 18.8113 19.1017 19.1017 22.2027 22.2027 22.8608 22.8608 k = 0.2319 0.2319 0.2319 ( 2428 PWs) bands (ev): -4.7065 -4.7065 -4.6981 -4.6981 -3.6850 -3.6850 -3.6733 -3.6733 -3.6689 -3.6689 7.4260 7.4260 10.7574 10.7574 11.9854 11.9854 12.0012 12.0012 12.2261 12.2261 12.7597 12.7597 12.8052 12.8052 13.2218 13.2218 13.9266 13.9266 14.0578 14.0578 15.2237 15.2237 15.5252 15.5252 15.7050 15.7050 16.0556 16.0556 16.2304 16.2304 16.8242 16.8242 17.8553 17.8553 18.8070 18.8070 19.0804 19.0804 22.1108 22.1108 22.7707 22.7707 k = 0.2391 0.2391 0.2391 ( 2422 PWs) bands (ev): -4.7062 -4.7062 -4.6977 -4.6977 -3.6850 -3.6850 -3.6728 -3.6728 -3.6680 -3.6680 7.5100 7.5100 10.7131 10.7131 11.9909 11.9909 12.0023 12.0023 12.2636 12.2636 12.7878 12.7878 12.8439 12.8439 13.2359 13.2359 13.8694 13.8694 14.0089 14.0089 15.2231 15.2231 15.4713 15.4713 15.6935 15.6935 16.0170 16.0170 16.2246 16.2246 16.8207 16.8207 17.8488 17.8488 18.7979 18.7979 19.0538 19.0538 22.0132 22.0132 22.6797 22.6797 k = 0.2464 0.2464 0.2464 ( 2425 PWs) bands (ev): -4.7059 -4.7059 -4.6973 -4.6973 -3.6851 -3.6851 -3.6723 -3.6723 -3.6672 -3.6672 7.5933 7.5933 10.6693 10.6693 11.9931 11.9931 12.0025 12.0025 12.3037 12.3037 12.8146 12.8146 12.8825 12.8825 13.2564 13.2564 13.8156 13.8156 13.9627 13.9627 15.2240 15.2240 15.4108 15.4108 15.6911 15.6911 15.9808 15.9808 16.2207 16.2207 16.8169 16.8169 17.8421 17.8421 18.7839 18.7839 19.0220 19.0220 21.9106 21.9106 22.5888 22.5888 k = 0.2536 0.2536 0.2536 ( 2425 PWs) bands (ev): -4.7056 -4.7056 -4.6970 -4.6970 -3.6852 -3.6852 -3.6717 -3.6717 -3.6664 -3.6664 7.6753 7.6753 10.6271 10.6271 11.9924 11.9924 12.0018 12.0018 12.3450 12.3450 12.8397 12.8397 12.9209 12.9209 13.2831 13.2831 13.7657 13.7657 13.9201 13.9201 15.2262 15.2262 15.3472 15.3472 15.6948 15.6948 15.9468 15.9468 16.2184 16.2184 16.8129 16.8129 17.8352 17.8352 18.7651 18.7651 18.9852 18.9852 21.8039 21.8039 22.4990 22.4990 k = 0.2609 0.2609 0.2609 ( 2437 PWs) bands (ev): -4.7053 -4.7053 -4.6968 -4.6968 -3.6855 -3.6855 -3.6712 -3.6712 -3.6657 -3.6657 7.7555 7.7555 10.5875 10.5875 11.9891 11.9891 11.9998 11.9998 12.3866 12.3866 12.8629 12.8629 12.9590 12.9590 13.3152 13.3152 13.7207 13.7207 13.8820 13.8820 15.2296 15.2296 15.2823 15.2823 15.7024 15.7024 15.9151 15.9151 16.2178 16.2178 16.8087 16.8087 17.8281 17.8281 18.7416 18.7416 18.9436 18.9436 21.6937 21.6937 22.4109 22.4109 k = 0.2681 0.2681 0.2681 ( 2437 PWs) bands (ev): -4.7051 -4.7051 -4.6966 -4.6966 -3.6857 -3.6857 -3.6708 -3.6708 -3.6650 -3.6650 7.8331 7.8331 10.5514 10.5514 11.9834 11.9834 11.9964 11.9964 12.4278 12.4278 12.8840 12.8840 12.9968 12.9968 13.3518 13.3518 13.6810 13.6810 13.8498 13.8498 15.2172 15.2172 15.2338 15.2338 15.7125 15.7125 15.8861 15.8861 16.2187 16.2187 16.8042 16.8042 17.8206 17.8206 18.7134 18.7134 18.8975 18.8975 21.5807 21.5807 22.3253 22.3253 k = 0.2754 0.2754 0.2754 ( 2431 PWs) bands (ev): -4.7049 -4.7049 -4.6965 -4.6965 -3.6861 -3.6861 -3.6703 -3.6703 -3.6644 -3.6644 7.9075 7.9075 10.5198 10.5198 11.9754 11.9754 11.9913 11.9913 12.4683 12.4683 12.9029 12.9029 13.0342 13.0342 13.3911 13.3911 13.6473 13.6473 13.8254 13.8254 15.1528 15.1528 15.2388 15.2388 15.7234 15.7234 15.8605 15.8605 16.2208 16.2208 16.7995 16.7995 17.8126 17.8126 18.6808 18.6808 18.8471 18.8471 21.4654 21.4654 22.2428 22.2428 k = 0.2826 0.2826 0.2826 ( 2431 PWs) bands (ev): -4.7047 -4.7047 -4.6965 -4.6965 -3.6865 -3.6865 -3.6698 -3.6698 -3.6639 -3.6639 7.9780 7.9780 10.4936 10.4936 11.9650 11.9650 11.9841 11.9841 12.5078 12.5078 12.9196 12.9196 13.0712 13.0712 13.4301 13.4301 13.6198 13.6198 13.8117 13.8117 15.0894 15.0894 15.2444 15.2444 15.7324 15.7324 15.8405 15.8405 16.2241 16.2241 16.7944 16.7944 17.8040 17.8040 18.6440 18.6440 18.7930 18.7930 21.3483 21.3483 22.1638 22.1638 k = 0.2899 0.2899 0.2899 ( 2431 PWs) bands (ev): -4.7045 -4.7045 -4.6965 -4.6965 -3.6869 -3.6869 -3.6694 -3.6694 -3.6634 -3.6634 8.0437 8.0437 10.4736 10.4736 11.9524 11.9524 11.9747 11.9747 12.5464 12.5464 12.9344 12.9344 13.1078 13.1078 13.4649 13.4649 13.5988 13.5988 13.8125 13.8125 15.0275 15.0275 15.2506 15.2506 15.7350 15.7350 15.8301 15.8301 16.2281 16.2281 16.7890 16.7890 17.7947 17.7947 18.6033 18.6033 18.7355 18.7355 21.2299 21.2299 22.0886 22.0886 k = 0.2971 0.2971 0.2971 ( 2431 PWs) bands (ev): -4.7043 -4.7043 -4.6965 -4.6965 -3.6874 -3.6874 -3.6689 -3.6689 -3.6629 -3.6629 8.1039 8.1039 10.4606 10.4606 11.9375 11.9375 11.9629 11.9629 12.5843 12.5843 12.9475 12.9475 13.1439 13.1439 13.4913 13.4913 13.5842 13.5842 13.8313 13.8313 14.9675 14.9675 15.2571 15.2571 15.7276 15.7276 15.8323 15.8323 16.2327 16.2327 16.7832 16.7832 17.7845 17.7845 18.5590 18.5590 18.6752 18.6752 21.1106 21.1106 22.0176 22.0176 k = 0.3043 0.3043 0.3043 ( 2422 PWs) bands (ev): -4.7042 -4.7042 -4.6966 -4.6966 -3.6880 -3.6880 -3.6685 -3.6685 -3.6625 -3.6625 8.1581 8.1581 10.4552 10.4552 11.9204 11.9204 11.9485 11.9485 12.6217 12.6217 12.9597 12.9597 13.1797 13.1797 13.5077 13.5077 13.5756 13.5756 13.8695 13.8695 14.9096 14.9096 15.2641 15.2641 15.7124 15.7124 15.8444 15.8444 16.2374 16.2374 16.7770 16.7770 17.7732 17.7732 18.5116 18.5116 18.6127 18.6127 20.9911 20.9911 21.9508 21.9508 k = 0.3116 0.3116 0.3116 ( 2422 PWs) bands (ev): -4.7041 -4.7041 -4.6968 -4.6968 -3.6886 -3.6886 -3.6681 -3.6681 -3.6622 -3.6622 8.2057 8.2057 10.4577 10.4577 11.9011 11.9011 11.9315 11.9315 12.6589 12.6589 12.9715 12.9715 13.2152 13.2152 13.5156 13.5156 13.5725 13.5725 13.9247 13.9247 14.8540 14.8540 15.2713 15.2713 15.6937 15.6937 15.8618 15.8618 16.2418 16.2418 16.7703 16.7703 17.7605 17.7605 18.4616 18.4616 18.5485 18.5485 20.8717 20.8717 21.8883 21.8883 k = 0.3188 0.3188 0.3188 ( 2422 PWs) bands (ev): -4.7040 -4.7040 -4.6970 -4.6970 -3.6892 -3.6892 -3.6677 -3.6677 -3.6620 -3.6620 8.2462 8.2462 10.4685 10.4685 11.8798 11.8798 11.9118 11.9118 12.6964 12.6964 12.9835 12.9835 13.2505 13.2505 13.5186 13.5186 13.5743 13.5743 13.9927 13.9927 14.8010 14.8010 15.2787 15.2787 15.6740 15.6740 15.8816 15.8816 16.2455 16.2455 16.7631 16.7631 17.7461 17.7461 18.4097 18.4097 18.4834 18.4834 20.7530 20.7530 21.8302 21.8302 k = 0.3261 0.3261 0.3261 ( 2419 PWs) bands (ev): -4.7039 -4.7039 -4.6972 -4.6972 -3.6899 -3.6899 -3.6673 -3.6673 -3.6617 -3.6617 8.2796 8.2796 10.4875 10.4875 11.8567 11.8567 11.8897 11.8897 12.7346 12.7346 12.9965 12.9965 13.2857 13.2857 13.5192 13.5192 13.5802 13.5802 14.0698 14.0698 14.7508 14.7508 15.2863 15.2863 15.6543 15.6543 15.9023 15.9023 16.2481 16.2481 16.7555 16.7555 17.7297 17.7297 18.3566 18.3566 18.4181 18.4181 20.6354 20.6354 21.7762 21.7762 k = 0.3333 0.3333 0.3333 ( 2419 PWs) bands (ev): -4.7039 -4.7039 -4.6975 -4.6975 -3.6906 -3.6906 -3.6670 -3.6670 -3.6616 -3.6616 8.3058 8.3058 10.5143 10.5143 11.8318 11.8318 11.8654 11.8654 12.7739 12.7739 13.0109 13.0109 13.3209 13.3209 13.5195 13.5195 13.5895 13.5895 14.1534 14.1534 14.7036 14.7036 15.2940 15.2940 15.6351 15.6351 15.9229 15.9229 16.2490 16.2490 16.7473 16.7473 17.7109 17.7109 18.3031 18.3031 18.3533 18.3533 20.5193 20.5193 21.7264 21.7264 k = 0.3406 0.3406 0.3406 ( 2419 PWs) bands (ev): -4.7039 -4.7039 -4.6979 -4.6979 -3.6914 -3.6914 -3.6666 -3.6666 -3.6614 -3.6614 8.3253 8.3253 10.5484 10.5484 11.8056 11.8056 11.8392 11.8392 12.8147 12.8147 13.0270 13.0270 13.3560 13.3560 13.5203 13.5203 13.6018 13.6018 14.2413 14.2413 14.6596 14.6596 15.3016 15.3016 15.6167 15.6167 15.9426 15.9426 16.2478 16.2478 16.7388 16.7388 17.6892 17.6892 18.2501 18.2501 18.2898 18.2898 20.4054 20.4054 21.6805 21.6805 k = 0.3478 0.3478 0.3478 ( 2422 PWs) bands (ev): -4.7039 -4.7039 -4.6982 -4.6982 -3.6922 -3.6922 -3.6663 -3.6663 -3.6614 -3.6614 8.3383 8.3383 10.5891 10.5891 11.7782 11.7782 11.8113 11.8113 12.8574 12.8574 13.0450 13.0450 13.3909 13.3909 13.5225 13.5225 13.6165 13.6165 14.3322 14.3322 14.6189 14.6189 15.3091 15.3091 15.5991 15.5991 15.9609 15.9609 16.2440 16.2440 16.7299 16.7299 17.6641 17.6641 18.1985 18.1985 18.2282 18.2282 20.2940 20.2940 21.6384 21.6384 k = 0.3551 0.3551 0.3551 ( 2416 PWs) bands (ev): -4.7039 -4.7039 -4.6986 -4.6986 -3.6929 -3.6929 -3.6660 -3.6660 -3.6613 -3.6613 8.3456 8.3456 10.6352 10.6352 11.7500 11.7500 11.7823 11.7823 12.9023 12.9023 13.0649 13.0649 13.4247 13.4247 13.5272 13.5272 13.6332 13.6332 14.4242 14.4242 14.5821 14.5821 15.3164 15.3164 15.5825 15.5825 15.9772 15.9772 16.2372 16.2372 16.7209 16.7209 17.6353 17.6353 18.1493 18.1493 18.1694 18.1694 20.1856 20.1856 21.5997 21.5997 k = 0.3623 0.3623 0.3623 ( 2416 PWs) bands (ev): -4.7039 -4.7039 -4.6990 -4.6990 -3.6937 -3.6937 -3.6657 -3.6657 -3.6613 -3.6613 8.3479 8.3479 10.6857 10.6857 11.7212 11.7212 11.7524 11.7524 12.9497 12.9497 13.0864 13.0864 13.4549 13.4549 13.5368 13.5368 13.6518 13.6518 14.5108 14.5108 14.5547 14.5547 15.3231 15.3231 15.5670 15.5670 15.9908 15.9908 16.2271 16.2271 16.7121 16.7121 17.6025 17.6025 18.1032 18.1032 18.1139 18.1139 20.0807 20.0807 21.5642 21.5642 k = 0.3696 0.3696 0.3696 ( 2413 PWs) bands (ev): -4.7040 -4.7040 -4.6994 -4.6994 -3.6945 -3.6945 -3.6654 -3.6654 -3.6613 -3.6613 8.3459 8.3459 10.7395 10.7395 11.6921 11.6921 11.7221 11.7221 12.9999 12.9999 13.1095 13.1095 13.4774 13.4774 13.5556 13.5556 13.6720 13.6720 14.5118 14.5118 14.6158 14.6158 15.3293 15.3293 15.5524 15.5524 16.0012 16.0012 16.2133 16.2133 16.7037 16.7037 17.5657 17.5657 18.0609 18.0609 18.0624 18.0624 19.9797 19.9797 21.5317 21.5317 k = 0.3768 0.3768 0.3768 ( 2413 PWs) bands (ev): -4.7040 -4.7040 -4.6999 -4.6999 -3.6954 -3.6954 -3.6651 -3.6651 -3.6614 -3.6614 8.3403 8.3403 10.7953 10.7953 11.6630 11.6630 11.6917 11.6917 13.0529 13.0529 13.1338 13.1338 13.4903 13.4903 13.5854 13.5854 13.6939 13.6939 14.4858 14.4858 14.7055 14.7055 15.3345 15.3345 15.5389 15.5389 16.0080 16.0080 16.1958 16.1958 16.6962 16.6962 17.5253 17.5253 18.0153 18.0153 18.0226 18.0226 19.8829 19.8829 21.5018 21.5018 k = 0.3841 0.3841 0.3841 ( 2401 PWs) bands (ev): -4.7041 -4.7041 -4.7003 -4.7003 -3.6962 -3.6962 -3.6649 -3.6649 -3.6614 -3.6614 8.3319 8.3319 10.8521 10.8521 11.6343 11.6343 11.6615 11.6615 13.1088 13.1088 13.1588 13.1588 13.4971 13.4971 13.6231 13.6231 13.7174 13.7174 14.4619 14.4619 14.7934 14.7934 15.3386 15.3386 15.5265 15.5265 16.0107 16.0107 16.1747 16.1747 16.6900 16.6900 17.4819 17.4819 17.9730 17.9730 17.9885 17.9885 19.7909 19.7909 21.4741 21.4741 k = 0.3913 0.3913 0.3913 ( 2398 PWs) bands (ev): -4.7041 -4.7041 -4.7008 -4.7008 -3.6969 -3.6969 -3.6646 -3.6646 -3.6615 -3.6615 8.3214 8.3214 10.9088 10.9088 11.6061 11.6061 11.6319 11.6319 13.1671 13.1671 13.1842 13.1842 13.5017 13.5017 13.6652 13.6652 13.7427 13.7427 14.4409 14.4409 14.8770 14.8770 15.3411 15.3411 15.5150 15.5150 16.0091 16.0091 16.1502 16.1502 16.6857 16.6857 17.4364 17.4364 17.9355 17.9355 17.9582 17.9582 19.7038 19.7038 21.4485 21.4485 k = 0.3986 0.3986 0.3986 ( 2398 PWs) bands (ev): -4.7042 -4.7042 -4.7012 -4.7012 -3.6977 -3.6977 -3.6644 -3.6644 -3.6616 -3.6616 8.3093 8.3093 10.9644 10.9644 11.5787 11.5787 11.6032 11.6032 13.2095 13.2095 13.2267 13.2267 13.5065 13.5065 13.7101 13.7101 13.7697 13.7697 14.4226 14.4226 14.9544 14.9544 15.3417 15.3417 15.5044 15.5044 16.0032 16.0032 16.1228 16.1228 16.6839 16.6839 17.3900 17.3900 17.9029 17.9029 17.9314 17.9314 19.6219 19.6219 21.4244 21.4244 k = 0.4058 0.4058 0.4058 ( 2410 PWs) bands (ev): -4.7043 -4.7043 -4.7017 -4.7017 -3.6985 -3.6985 -3.6642 -3.6642 -3.6618 -3.6618 8.2962 8.2962 11.0181 11.0181 11.5523 11.5523 11.5755 11.5755 13.2341 13.2341 13.2853 13.2853 13.5145 13.5145 13.7572 13.7572 13.7987 13.7987 14.4068 14.4068 15.0240 15.0240 15.3399 15.3399 15.4945 15.4945 15.9933 15.9933 16.0932 16.0932 16.6852 16.6852 17.3438 17.3438 17.8752 17.8752 17.9077 17.9077 19.5454 19.5454 21.4015 21.4015 k = 0.4130 0.4130 0.4130 ( 2410 PWs) bands (ev): -4.7044 -4.7044 -4.7021 -4.7021 -3.6992 -3.6992 -3.6640 -3.6640 -3.6619 -3.6619 8.2825 8.2825 11.0692 11.0692 11.5272 11.5272 11.5492 11.5492 13.2578 13.2578 13.3380 13.3380 13.5310 13.5310 13.8059 13.8059 13.8295 13.8295 14.3934 14.3934 15.0838 15.0838 15.3354 15.3354 15.4847 15.4847 15.9802 15.9802 16.0623 16.0623 16.6903 16.6903 17.2991 17.2991 17.8519 17.8519 17.8866 17.8866 19.4744 19.4744 21.3793 21.3793 k = 0.4203 0.4203 0.4203 ( 2410 PWs) bands (ev): -4.7044 -4.7044 -4.7025 -4.7025 -3.6999 -3.6999 -3.6639 -3.6639 -3.6620 -3.6620 8.2687 8.2687 11.1172 11.1172 11.5035 11.5035 11.5244 11.5244 13.2802 13.2802 13.3774 13.3774 13.5631 13.5631 13.8560 13.8560 13.8622 13.8622 14.3820 14.3820 15.1324 15.1324 15.3276 15.3276 15.4741 15.4741 15.9649 15.9649 16.0312 16.0312 16.6996 16.6996 17.2569 17.2569 17.8328 17.8328 17.8679 17.8679 19.4089 19.4089 21.3574 21.3574 k = 0.4275 0.4275 0.4275 ( 2422 PWs) bands (ev): -4.7045 -4.7045 -4.7029 -4.7029 -3.7005 -3.7005 -3.6637 -3.6637 -3.6622 -3.6622 8.2551 8.2551 11.1616 11.1616 11.4813 11.4813 11.5011 11.5011 13.3009 13.3009 13.3997 13.3997 13.6144 13.6144 13.8966 13.8966 13.9070 13.9070 14.3724 14.3724 15.1691 15.1691 15.3163 15.3163 15.4611 15.4611 15.9486 15.9486 16.0007 16.0007 16.7136 16.7136 17.2179 17.2179 17.8174 17.8174 17.8513 17.8513 19.3490 19.3490 21.3352 21.3352 k = 0.4348 0.4348 0.4348 ( 2416 PWs) bands (ev): -4.7046 -4.7046 -4.7033 -4.7033 -3.7011 -3.7011 -3.6636 -3.6636 -3.6623 -3.6623 8.2421 8.2421 11.2020 11.2020 11.4610 11.4610 11.4798 11.4798 13.3198 13.3198 13.4093 13.4093 13.6797 13.6797 13.9323 13.9323 13.9589 13.9589 14.3642 14.3642 15.1943 15.1943 15.3014 15.3014 15.4437 15.4437 15.9325 15.9325 15.9720 15.9720 16.7326 16.7326 17.1829 17.1829 17.8053 17.8053 17.8366 17.8366 19.2944 19.2944 21.3122 21.3122 k = 0.4420 0.4420 0.4420 ( 2416 PWs) bands (ev): -4.7047 -4.7047 -4.7036 -4.7036 -3.7016 -3.7016 -3.6634 -3.6634 -3.6624 -3.6624 8.2298 8.2298 11.2383 11.2383 11.4424 11.4424 11.4604 11.4604 13.3366 13.3366 13.4121 13.4121 13.7524 13.7524 13.9689 13.9689 14.0113 14.0113 14.3572 14.3572 15.2093 15.2093 15.2828 15.2828 15.4200 15.4200 15.9174 15.9174 15.9458 15.9458 16.7562 16.7562 17.1523 17.1523 17.7959 17.7959 17.8236 17.8236 19.2452 19.2452 21.2880 21.2880 k = 0.4493 0.4493 0.4493 ( 2410 PWs) bands (ev): -4.7047 -4.7047 -4.7039 -4.7039 -3.7021 -3.7021 -3.6633 -3.6633 -3.6625 -3.6625 8.2185 8.2185 11.2703 11.2703 11.4260 11.4260 11.4430 11.4430 13.3513 13.3513 13.4115 13.4115 13.8274 13.8274 14.0056 14.0056 14.0638 14.0638 14.3513 14.3513 15.2161 15.2161 15.2611 15.2611 15.3889 15.3889 15.9039 15.9039 15.9229 15.9229 16.7838 16.7838 17.1262 17.1262 17.7888 17.7888 17.8121 17.8121 19.2013 19.2013 21.2624 21.2624 k = 0.4565 0.4565 0.4565 ( 2413 PWs) bands (ev): -4.7048 -4.7048 -4.7042 -4.7042 -3.7026 -3.7026 -3.6632 -3.6632 -3.6626 -3.6626 8.2084 8.2084 11.2978 11.2978 11.4117 11.4117 11.4278 11.4278 13.3639 13.3639 13.4093 13.4093 13.9013 13.9013 14.0417 14.0417 14.1158 14.1158 14.3465 14.3465 15.2166 15.2166 15.2372 15.2372 15.3505 15.3505 15.8918 15.8918 15.9034 15.9034 16.8141 16.8141 17.1045 17.1045 17.7835 17.7835 17.8021 17.8021 19.1627 19.1627 21.2353 21.2353 k = 0.4638 0.4638 0.4638 ( 2419 PWs) bands (ev): -4.7049 -4.7049 -4.7044 -4.7044 -3.7029 -3.7029 -3.6631 -3.6631 -3.6627 -3.6627 8.1996 8.1996 11.3206 11.3206 11.3997 11.3997 11.4148 11.4148 13.3745 13.3745 13.4066 13.4066 13.9709 13.9709 14.0759 14.0759 14.1657 14.1657 14.3439 14.3439 15.2124 15.2124 15.2131 15.2131 15.3065 15.3065 15.8813 15.8813 15.8875 15.8875 16.8451 16.8451 17.0869 17.0869 17.7798 17.7798 17.7936 17.7936 19.1295 19.1295 21.2076 21.2076 k = 0.4710 0.4710 0.4710 ( 2431 PWs) bands (ev): -4.7049 -4.7049 -4.7046 -4.7046 -3.7032 -3.7032 -3.6631 -3.6631 -3.6628 -3.6628 8.1923 8.1923 11.3386 11.3386 11.3905 11.3905 11.4041 11.4041 13.3830 13.3830 13.4038 13.4038 14.0335 14.0335 14.1069 14.1069 14.2097 14.2097 14.3458 14.3458 15.1882 15.1882 15.2070 15.2070 15.2597 15.2597 15.8722 15.8722 15.8751 15.8751 16.8749 16.8749 17.0731 17.0731 17.7772 17.7772 17.7865 17.7865 19.1018 19.1018 21.1805 21.1805 k = 0.4783 0.4783 0.4783 ( 2440 PWs) bands (ev): -4.7049 -4.7049 -4.7048 -4.7048 -3.7035 -3.7035 -3.6630 -3.6630 -3.6629 -3.6629 8.1865 8.1865 11.3512 11.3512 11.3846 11.3846 11.3957 11.3957 13.3895 13.3895 13.4013 13.4013 14.0869 14.0869 14.1333 14.1333 14.2397 14.2397 14.3574 14.3574 15.1666 15.1666 15.1986 15.1986 15.2155 15.2155 15.8647 15.8647 15.8658 15.8658 16.9011 16.9011 17.0628 17.0628 17.7754 17.7754 17.7809 17.7809 19.0798 19.0798 21.1562 21.1562 k = 0.4855 0.4855 0.4855 ( 2440 PWs) bands (ev): -4.7050 -4.7050 -4.7049 -4.7049 -3.7037 -3.7037 -3.6630 -3.6630 -3.6629 -3.6629 8.1823 8.1823 11.3576 11.3576 11.3829 11.3829 11.3897 11.3897 13.3942 13.3942 13.3994 13.3994 14.1296 14.1296 14.1536 14.1536 14.2508 14.2508 14.3792 14.3792 15.1495 15.1495 15.1714 15.1714 15.1971 15.1971 15.8591 15.8591 15.8594 15.8594 16.9217 16.9217 17.0556 17.0556 17.7743 17.7743 17.7769 17.7769 19.0639 19.0639 21.1369 21.1369 k = 0.4928 0.4928 0.4928 ( 2440 PWs) bands (ev): -4.7050 -4.7050 -4.7050 -4.7050 -3.7038 -3.7038 -3.6630 -3.6630 -3.6630 -3.6630 8.1797 8.1797 11.3593 11.3593 11.3841 11.3841 11.3861 11.3861 13.3969 13.3969 13.3983 13.3983 14.1594 14.1594 14.1665 14.1665 14.2494 14.2494 14.4001 14.4001 15.1384 15.1384 15.1444 15.1444 15.1924 15.1924 15.8557 15.8557 15.8557 15.8557 16.9348 16.9348 17.0513 17.0513 17.7737 17.7737 17.7744 17.7744 19.0542 19.0542 21.1243 21.1243 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -4.7050 -4.7050 -4.7050 -4.7050 -3.7038 -3.7038 -3.6630 -3.6630 -3.6630 -3.6630 8.1789 8.1789 11.3595 11.3595 11.3849 11.3849 11.3849 11.3849 13.3979 13.3979 13.3979 13.3979 14.1709 14.1709 14.1709 14.1709 14.2468 14.2468 14.4086 14.4086 15.1345 15.1345 15.1345 15.1345 15.1909 15.1909 15.8545 15.8545 15.8545 15.8545 16.9394 16.9394 17.0499 17.0499 17.7735 17.7735 17.7735 17.7735 19.0509 19.0509 21.1200 21.1200 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -4.7050 -4.7050 -4.7050 -4.7050 -3.7038 -3.7038 -3.6630 -3.6630 -3.6630 -3.6630 8.1789 8.1789 11.3595 11.3595 11.3849 11.3849 11.3849 11.3849 13.3979 13.3979 13.3979 13.3979 14.1709 14.1709 14.1709 14.1709 14.2468 14.2468 14.4086 14.4086 15.1345 15.1345 15.1345 15.1345 15.1909 15.1909 15.8545 15.8545 15.8545 15.8545 16.9394 16.9394 17.0499 17.0499 17.7735 17.7735 17.7735 17.7735 19.0509 19.0509 21.1200 21.1200 k = 0.4911 0.5000 0.4911 ( 2440 PWs) bands (ev): -4.7050 -4.7050 -4.7050 -4.7050 -3.7038 -3.7038 -3.6630 -3.6630 -3.6630 -3.6630 8.1797 8.1797 11.3593 11.3593 11.3841 11.3841 11.3860 11.3860 13.3970 13.3970 13.3982 13.3982 14.1597 14.1597 14.1659 14.1659 14.2495 14.2495 14.4000 14.4000 15.1385 15.1385 15.1444 15.1444 15.1926 15.1926 15.8550 15.8550 15.8564 15.8564 16.9348 16.9348 17.0514 17.0514 17.7736 17.7736 17.7745 17.7745 19.0542 19.0542 21.1244 21.1244 k = 0.4821 0.5000 0.4821 ( 2440 PWs) bands (ev): -4.7050 -4.7050 -4.7049 -4.7049 -3.7037 -3.7037 -3.6630 -3.6630 -3.6629 -3.6629 8.1823 8.1823 11.3582 11.3582 11.3818 11.3818 11.3902 11.3902 13.3945 13.3945 13.3991 13.3991 14.1308 14.1308 14.1514 14.1514 14.2516 14.2516 14.3783 14.3783 15.1490 15.1490 15.1710 15.1710 15.1988 15.1988 15.8564 15.8564 15.8622 15.8622 16.9214 16.9214 17.0557 17.0557 17.7737 17.7737 17.7776 17.7776 19.0640 19.0640 21.1371 21.1371 k = 0.4732 0.5000 0.4732 ( 2440 PWs) bands (ev): -4.7049 -4.7049 -4.7048 -4.7048 -3.7035 -3.7035 -3.6631 -3.6631 -3.6629 -3.6629 8.1866 8.1866 11.3545 11.3545 11.3784 11.3784 11.3986 11.3986 13.3902 13.3902 13.4006 13.4006 14.0900 14.0900 14.1281 14.1281 14.2421 14.2421 14.3548 14.3548 15.1614 15.1614 15.2006 15.2006 15.2209 15.2209 15.8589 15.8589 15.8716 15.8716 16.9003 16.9003 17.0628 17.0628 17.7740 17.7740 17.7825 17.7825 19.0803 19.0803 21.1571 21.1571 k = 0.4643 0.5000 0.4643 ( 2432 PWs) bands (ev): -4.7049 -4.7049 -4.7046 -4.7046 -3.7032 -3.7032 -3.6631 -3.6631 -3.6628 -3.6628 8.1925 8.1925 11.3475 11.3475 11.3742 11.3742 11.4115 11.4115 13.3841 13.3841 13.4024 13.4024 14.0402 14.0402 14.0966 14.0966 14.2135 14.2135 14.3419 14.3419 15.1705 15.1705 15.2223 15.2223 15.2662 15.2662 15.8627 15.8627 15.8842 15.8842 16.8731 16.8731 17.0728 17.0728 17.7747 17.7747 17.7895 17.7895 19.1026 19.1026 21.1827 21.1827 k = 0.4554 0.5000 0.4554 ( 2424 PWs) bands (ev): -4.7048 -4.7048 -4.7045 -4.7045 -3.7029 -3.7029 -3.6632 -3.6632 -3.6627 -3.6627 8.2000 8.2000 11.3372 11.3372 11.3692 11.3692 11.4288 11.4288 13.3760 13.3760 13.4044 13.4044 13.9837 13.9837 14.0570 14.0570 14.1710 14.1710 14.3395 14.3395 15.1753 15.1753 15.2467 15.2467 15.3168 15.3168 15.8682 15.8682 15.8995 15.8995 16.8420 16.8420 17.0857 17.0857 17.7762 17.7762 17.7984 17.7984 19.1306 19.1306 21.2119 21.2119 k = 0.4464 0.5000 0.4464 ( 2412 PWs) bands (ev): -4.7048 -4.7048 -4.7042 -4.7042 -3.7025 -3.7025 -3.6633 -3.6633 -3.6625 -3.6625 8.2090 8.2090 11.3237 11.3237 11.3633 11.3633 11.4503 11.4503 13.3657 13.3657 13.4062 13.4062 13.9224 13.9224 14.0100 14.0100 14.1244 14.1244 14.3420 14.3420 15.1766 15.1766 15.2721 15.2721 15.3665 15.3665 15.8758 15.8758 15.9168 15.9168 16.8092 16.8092 17.1014 17.1014 17.7789 17.7789 17.8094 17.8094 19.1638 19.1638 21.2429 21.2429 k = 0.4375 0.5000 0.4375 ( 2416 PWs) bands (ev): -4.7047 -4.7047 -4.7040 -4.7040 -3.7021 -3.7021 -3.6635 -3.6635 -3.6624 -3.6624 8.2194 8.2194 11.3072 11.3072 11.3564 11.3564 11.4758 11.4758 13.3529 13.3529 13.4074 13.4074 13.8581 13.8581 13.9574 13.9574 14.0784 14.0784 14.3465 14.3465 15.1741 15.1741 15.2957 15.2957 15.4120 15.4120 15.8863 15.8863 15.9354 15.9354 16.7769 16.7769 17.1198 17.1198 17.7832 17.7832 17.8227 17.8227 19.2015 19.2015 21.2742 21.2742 k = 0.4286 0.5000 0.4286 ( 2414 PWs) bands (ev): -4.7046 -4.7046 -4.7037 -4.7037 -3.7016 -3.7016 -3.6636 -3.6636 -3.6622 -3.6622 8.2312 8.2312 11.2879 11.2879 11.3482 11.3482 11.5051 11.5051 13.3373 13.3373 13.4074 13.4074 13.7928 13.7928 13.9026 13.9026 14.0340 14.0340 14.3518 14.3518 15.1666 15.1666 15.3163 15.3163 15.4509 15.4509 15.9004 15.9004 15.9546 15.9546 16.7473 16.7473 17.1410 17.1410 17.7901 17.7901 17.8388 17.8388 19.2428 19.2428 21.3048 21.3048 k = 0.4196 0.5000 0.4196 ( 2420 PWs) bands (ev): -4.7045 -4.7045 -4.7033 -4.7033 -3.7011 -3.7011 -3.6638 -3.6638 -3.6620 -3.6620 8.2441 8.2441 11.2658 11.2658 11.3386 11.3386 11.5381 11.5381 13.3185 13.3185 13.4053 13.4053 13.7282 13.7282 13.8486 13.8486 13.9908 13.9908 14.3579 14.3579 15.1522 15.1522 15.3333 15.3333 15.4820 15.4820 15.9186 15.9186 15.9736 15.9736 16.7216 16.7216 17.1645 17.1645 17.8003 17.8003 17.8580 17.8580 19.2867 19.2867 21.3340 21.3340 k = 0.4107 0.5000 0.4107 ( 2408 PWs) bands (ev): -4.7044 -4.7044 -4.7030 -4.7030 -3.7005 -3.7005 -3.6640 -3.6640 -3.6618 -3.6618 8.2580 8.2580 11.2410 11.2410 11.3276 11.3276 11.5747 11.5747 13.2959 13.2959 13.4001 13.4001 13.6662 13.6662 13.7982 13.7982 13.9485 13.9485 14.3648 14.3648 15.1287 15.1287 15.3475 15.3475 15.5052 15.5052 15.9408 15.9408 15.9915 15.9915 16.7005 16.7005 17.1901 17.1901 17.8150 17.8150 17.8810 17.8810 19.3320 19.3320 21.3611 21.3611 k = 0.4018 0.5000 0.4018 ( 2408 PWs) bands (ev): -4.7043 -4.7043 -4.7026 -4.7026 -3.6998 -3.6998 -3.6642 -3.6642 -3.6616 -3.6616 8.2728 8.2728 11.2136 11.2136 11.3151 11.3151 11.6147 11.6147 13.2692 13.2692 13.3904 13.3904 13.6086 13.6086 13.7530 13.7530 13.9071 13.9071 14.3728 14.3728 15.0943 15.0943 15.3598 15.3598 15.5215 15.5215 15.9659 15.9659 16.0080 16.0080 16.6838 16.6838 17.2171 17.2171 17.8354 17.8354 17.9083 17.9083 19.3776 19.3776 21.3854 21.3854 k = 0.3929 0.5000 0.3929 ( 2408 PWs) bands (ev): -4.7041 -4.7041 -4.7022 -4.7022 -3.6991 -3.6991 -3.6644 -3.6644 -3.6614 -3.6614 8.2882 8.2882 11.1837 11.1837 11.3010 11.3010 11.6580 11.6580 13.2382 13.2382 13.3747 13.3747 13.5573 13.5573 13.7141 13.7141 13.8671 13.8671 14.3820 14.3820 15.0481 15.0481 15.3714 15.3714 15.5323 15.5323 15.9919 15.9919 16.0233 16.0233 16.6703 16.6703 17.2445 17.2445 17.8630 17.8630 17.9405 17.9405 19.4222 19.4222 21.4065 21.4065 k = 0.3839 0.5000 0.3839 ( 2408 PWs) bands (ev): -4.7040 -4.7040 -4.7018 -4.7018 -3.6984 -3.6984 -3.6647 -3.6647 -3.6612 -3.6612 8.3040 8.3040 11.1511 11.1511 11.2854 11.2854 11.7044 11.7044 13.2029 13.2029 13.3523 13.3523 13.5137 13.5137 13.6812 13.6812 13.8290 13.8290 14.3929 14.3929 14.9906 14.9906 15.3831 15.3831 15.5393 15.5393 16.0142 16.0142 16.0402 16.0402 16.6587 16.6587 17.2713 17.2713 17.8991 17.8991 17.9782 17.9782 19.4646 19.4646 21.4240 21.4240 k = 0.3750 0.5000 0.3750 ( 2406 PWs) bands (ev): -4.7039 -4.7039 -4.7014 -4.7014 -3.6976 -3.6976 -3.6649 -3.6649 -3.6609 -3.6609 8.3201 8.3201 11.1161 11.1161 11.2685 11.2685 11.7538 11.7538 13.1637 13.1637 13.3239 13.3239 13.4779 13.4779 13.6532 13.6532 13.7940 13.7940 14.4055 14.4055 14.9232 14.9232 15.3951 15.3951 15.5436 15.5436 16.0272 16.0272 16.0627 16.0627 16.6475 16.6475 17.2963 17.2963 17.9449 17.9449 18.0220 18.0220 19.5039 19.5039 21.4379 21.4379 k = 0.3661 0.5000 0.3661 ( 2410 PWs) bands (ev): -4.7037 -4.7037 -4.7010 -4.7010 -3.6968 -3.6968 -3.6652 -3.6652 -3.6607 -3.6607 8.3360 8.3360 11.0787 11.0787 11.2505 11.2505 11.8060 11.8060 13.1211 13.1211 13.2922 13.2922 13.4480 13.4480 13.6278 13.6278 13.7634 13.7634 14.4200 14.4200 14.8479 14.8479 15.4073 15.4073 15.5463 15.5463 16.0326 16.0326 16.0883 16.0883 16.6353 16.6353 17.3184 17.3184 18.0011 18.0011 18.0722 18.0722 19.5392 19.5392 21.4484 21.4484 k = 0.3571 0.5000 0.3571 ( 2410 PWs) bands (ev): -4.7036 -4.7036 -4.7005 -4.7005 -3.6960 -3.6960 -3.6656 -3.6656 -3.6604 -3.6604 8.3516 8.3516 11.0389 11.0389 11.2318 11.2318 11.8607 11.8607 13.0759 13.0759 13.2605 13.2605 13.4216 13.4216 13.6028 13.6028 13.7383 13.7383 14.4360 14.4360 14.7674 14.7674 15.4193 15.4193 15.5484 15.5484 16.0330 16.0330 16.1137 16.1137 16.6213 16.6213 17.3368 17.3368 18.0678 18.0678 18.1292 18.1292 19.5699 19.5699 21.4559 21.4559 k = 0.3482 0.5000 0.3482 ( 2412 PWs) bands (ev): -4.7035 -4.7035 -4.7001 -4.7001 -3.6952 -3.6952 -3.6659 -3.6659 -3.6602 -3.6602 8.3665 8.3665 10.9968 10.9968 11.2127 11.2127 11.9178 11.9178 13.0288 13.0288 13.2310 13.2310 13.3967 13.3967 13.5770 13.5770 13.7188 13.7188 14.4517 14.4517 14.6856 14.6856 15.4303 15.4303 15.5510 15.5510 16.0293 16.0293 16.1375 16.1375 16.6048 16.6048 17.3514 17.3514 18.1438 18.1438 18.1939 18.1939 19.5956 19.5956 21.4610 21.4610 k = 0.3393 0.5000 0.3393 ( 2412 PWs) bands (ev): -4.7033 -4.7033 -4.6997 -4.6997 -3.6943 -3.6943 -3.6663 -3.6663 -3.6600 -3.6600 8.3803 8.3803 10.9525 10.9525 11.1938 11.1938 11.9770 11.9770 12.9808 12.9808 13.2053 13.2053 13.3718 13.3718 13.5508 13.5508 13.7039 13.7039 14.4596 14.4596 14.6123 14.6123 15.4393 15.4393 15.5552 15.5552 16.0217 16.0217 16.1593 16.1593 16.5859 16.5859 17.3621 17.3621 18.2262 18.2262 18.2682 18.2682 19.6164 19.6164 21.4643 21.4643 k = 0.3304 0.5000 0.3304 ( 2404 PWs) bands (ev): -4.7032 -4.7032 -4.6993 -4.6993 -3.6935 -3.6935 -3.6666 -3.6666 -3.6597 -3.6597 8.3929 8.3929 10.9062 10.9062 11.1758 11.1758 12.0381 12.0381 12.9325 12.9325 13.1839 13.1839 13.3459 13.3459 13.5254 13.5254 13.6918 13.6918 14.4336 14.4336 14.5751 14.5751 15.4454 15.4454 15.5621 15.5621 16.0104 16.0104 16.1787 16.1787 16.5646 16.5646 17.3692 17.3692 18.3104 18.3104 18.3555 18.3555 19.6324 19.6324 21.4660 21.4660 k = 0.3214 0.5000 0.3214 ( 2404 PWs) bands (ev): -4.7031 -4.7031 -4.6989 -4.6989 -3.6926 -3.6926 -3.6670 -3.6670 -3.6595 -3.6595 8.4038 8.4038 10.8578 10.8578 11.1591 11.1591 12.1007 12.1007 12.8846 12.8846 13.1666 13.1666 13.3183 13.3183 13.5021 13.5021 13.6807 13.6807 14.3655 14.3655 14.5843 14.5843 15.4478 15.4478 15.5723 15.5723 15.9956 15.9956 16.1957 16.1957 16.5415 16.5415 17.3733 17.3733 18.3946 18.3946 18.4561 18.4561 19.6439 19.6439 21.4668 21.4668 k = 0.3125 0.5000 0.3125 ( 2412 PWs) bands (ev): -4.7030 -4.7030 -4.6985 -4.6985 -3.6917 -3.6917 -3.6675 -3.6675 -3.6593 -3.6593 8.4126 8.4126 10.8075 10.8075 11.1446 11.1446 12.1646 12.1646 12.8376 12.8376 13.1530 13.1530 13.2892 13.2892 13.4820 13.4820 13.6689 13.6689 14.2836 14.2836 14.6131 14.6131 15.4467 15.4467 15.5857 15.5857 15.9774 15.9774 16.2099 16.2099 16.5171 16.5171 17.3746 17.3746 18.4807 18.4807 18.5665 18.5665 19.6515 19.6515 21.4670 21.4670 k = 0.3036 0.5000 0.3036 ( 2410 PWs) bands (ev): -4.7028 -4.7028 -4.6981 -4.6981 -3.6909 -3.6909 -3.6679 -3.6679 -3.6591 -3.6591 8.4192 8.4192 10.7555 10.7555 11.1328 11.1328 12.2293 12.2293 12.7921 12.7921 13.1419 13.1419 13.2592 13.2592 13.4655 13.4655 13.6548 13.6548 14.2010 14.2010 14.6502 14.6502 15.4426 15.4426 15.6018 15.6018 15.9559 15.9559 16.2211 16.2211 16.4923 16.4923 17.3738 17.3738 18.5699 18.5699 18.6840 18.6840 19.6560 19.6560 21.4668 21.4668 k = 0.2946 0.5000 0.2946 ( 2410 PWs) bands (ev): -4.7027 -4.7027 -4.6977 -4.6977 -3.6900 -3.6900 -3.6684 -3.6684 -3.6590 -3.6590 8.4232 8.4232 10.7019 10.7019 11.1244 11.1244 12.2944 12.2944 12.7486 12.7486 13.1311 13.1311 13.2304 13.2304 13.4526 13.4526 13.6366 13.6366 14.1228 14.1228 14.6927 14.6927 15.4360 15.4360 15.6197 15.6197 15.9314 15.9314 16.2290 16.2290 16.4681 16.4681 17.3712 17.3712 18.6624 18.6624 18.8067 18.8067 19.6583 19.6583 21.4667 21.4667 k = 0.2857 0.5000 0.2857 ( 2410 PWs) bands (ev): -4.7027 -4.7027 -4.6974 -4.6974 -3.6892 -3.6892 -3.6689 -3.6689 -3.6588 -3.6588 8.4244 8.4244 10.6468 10.6468 11.1201 11.1201 12.3590 12.3590 12.7077 12.7077 13.1168 13.1168 13.2065 13.2065 13.4431 13.4431 13.6124 13.6124 14.0523 14.0523 14.7394 14.7394 15.4277 15.4277 15.6385 15.6385 15.9042 15.9042 16.2329 16.2329 16.4456 16.4456 17.3671 17.3671 18.7579 18.7579 18.9331 18.9331 19.6597 19.6597 21.4668 21.4668 k = 0.2768 0.5000 0.2768 ( 2410 PWs) bands (ev): -4.7026 -4.7026 -4.6971 -4.6971 -3.6883 -3.6883 -3.6694 -3.6694 -3.6587 -3.6587 8.4227 8.4227 10.5905 10.5905 11.1202 11.1202 12.4214 12.4214 12.6709 12.6709 13.0951 13.0951 13.1910 13.1910 13.4363 13.4363 13.5812 13.5812 13.9923 13.9923 14.7898 14.7898 15.4179 15.4179 15.6574 15.6574 15.8749 15.8749 16.2324 16.2324 16.4261 16.4261 17.3620 17.3620 18.8557 18.8557 19.0615 19.0615 19.6619 19.6619 21.4675 21.4675 k = 0.2679 0.5000 0.2679 ( 2410 PWs) bands (ev): -4.7025 -4.7025 -4.6968 -4.6968 -3.6875 -3.6875 -3.6699 -3.6699 -3.6586 -3.6586 8.4180 8.4180 10.5331 10.5331 11.1252 11.1252 12.4770 12.4770 12.6429 12.6429 13.0657 13.0657 13.1837 13.1837 13.4306 13.4306 13.5437 13.5437 13.9446 13.9446 14.8430 14.8430 15.4071 15.4071 15.6749 15.6749 15.8446 15.8446 16.2269 16.2269 16.4107 16.4107 17.3561 17.3561 18.9550 18.9550 19.1895 19.1895 19.6680 19.6680 21.4689 21.4689 k = 0.2589 0.5000 0.2589 ( 2410 PWs) bands (ev): -4.7025 -4.7025 -4.6965 -4.6965 -3.6867 -3.6867 -3.6705 -3.6705 -3.6586 -3.6586 8.4101 8.4101 10.4749 10.4749 11.1353 11.1353 12.5106 12.5106 12.6383 12.6383 13.0314 13.0314 13.1808 13.1808 13.4203 13.4203 13.5069 13.5069 13.9091 13.9091 14.8986 14.8986 15.3955 15.3955 15.6884 15.6884 15.8157 15.8157 16.2166 16.2166 16.3999 16.3999 17.3497 17.3497 19.0546 19.0546 19.3123 19.3123 19.6838 19.6838 21.4713 21.4713 k = 0.2500 0.5000 0.2500 ( 2422 PWs) bands (ev): -4.7025 -4.7025 -4.6962 -4.6962 -3.6859 -3.6859 -3.6711 -3.6711 -3.6585 -3.6585 8.3992 8.3992 10.4160 10.4160 11.1507 11.1507 12.5068 12.5068 12.6723 12.6723 12.9949 12.9949 13.1783 13.1783 13.3931 13.3931 13.4863 13.4863 13.8843 13.8843 14.9556 14.9556 15.3834 15.3834 15.6921 15.6921 15.7939 15.7939 16.2024 16.2024 16.3935 16.3935 17.3431 17.3431 19.1519 19.1519 19.4210 19.4210 19.7203 19.7203 21.4750 21.4750 k = 0.2411 0.5000 0.2411 ( 2418 PWs) bands (ev): -4.7025 -4.7025 -4.6960 -4.6960 -3.6851 -3.6851 -3.6717 -3.6717 -3.6585 -3.6585 8.3854 8.3854 10.3567 10.3567 11.1715 11.1715 12.4833 12.4833 12.7268 12.7268 12.9573 12.9573 13.1720 13.1720 13.3502 13.3502 13.4861 13.4861 13.8680 13.8680 15.0132 15.0132 15.3709 15.3709 15.6784 15.6784 15.7864 15.7864 16.1859 16.1859 16.3910 16.3910 17.3367 17.3367 19.2428 19.2428 19.5055 19.5055 19.7918 19.7918 21.4801 21.4801 k = 0.2321 0.5000 0.2321 ( 2418 PWs) bands (ev): -4.7026 -4.7026 -4.6957 -4.6957 -3.6843 -3.6843 -3.6723 -3.6723 -3.6585 -3.6585 8.3689 8.3689 10.2972 10.2972 11.1976 11.1976 12.4547 12.4547 12.7865 12.7865 12.9199 12.9199 13.1557 13.1557 13.3089 13.3089 13.4968 13.4968 13.8583 13.8583 15.0701 15.0701 15.3586 15.3586 15.6495 15.6495 15.7910 15.7910 16.1686 16.1686 16.3916 16.3916 17.3308 17.3308 19.3191 19.3191 19.5725 19.5725 19.8993 19.8993 21.4869 21.4869 k = 0.2232 0.5000 0.2232 ( 2430 PWs) bands (ev): -4.7026 -4.7026 -4.6955 -4.6955 -3.6836 -3.6836 -3.6729 -3.6729 -3.6585 -3.6585 8.3499 8.3499 10.2377 10.2377 11.2288 11.2288 12.4250 12.4250 12.8436 12.8436 12.8861 12.8861 13.1228 13.1228 13.2815 13.2815 13.5134 13.5134 13.8539 13.8539 15.1242 15.1242 15.3474 15.3474 15.6134 15.6134 15.7992 15.7992 16.1522 16.1522 16.3950 16.3950 17.3258 17.3258 19.3724 19.3724 19.6442 19.6442 20.0289 20.0289 21.4958 21.4958 k = 0.2143 0.5000 0.2143 ( 2426 PWs) bands (ev): -4.7027 -4.7027 -4.6953 -4.6953 -3.6829 -3.6829 -3.6736 -3.6736 -3.6586 -3.6586 8.3287 8.3287 10.1785 10.1785 11.2648 11.2648 12.3956 12.3956 12.8394 12.8394 12.9135 12.9135 13.0750 13.0750 13.2695 13.2695 13.5339 13.5339 13.8539 13.8539 15.1721 15.1721 15.3393 15.3393 15.5748 15.5748 15.8063 15.8063 16.1377 16.1377 16.4012 16.4012 17.3221 17.3221 19.4024 19.4024 19.7317 19.7317 20.1699 20.1699 21.5069 21.5069 k = 0.2054 0.5000 0.2054 ( 2434 PWs) bands (ev): -4.7028 -4.7028 -4.6951 -4.6951 -3.6822 -3.6822 -3.6742 -3.6742 -3.6587 -3.6587 8.3055 8.3055 10.1197 10.1197 11.3053 11.3053 12.3668 12.3668 12.8039 12.8039 12.9709 12.9709 13.0197 13.0197 13.2670 13.2670 13.5572 13.5572 13.8580 13.8580 15.2071 15.2071 15.3393 15.3393 15.5363 15.5363 15.8097 15.8097 16.1258 16.1258 16.4107 16.4107 17.3201 17.3201 19.4170 19.4170 19.8319 19.8319 20.3169 20.3169 21.5207 21.5207 k = 0.1964 0.5000 0.1964 ( 2432 PWs) bands (ev): -4.7030 -4.7030 -4.6950 -4.6950 -3.6816 -3.6816 -3.6749 -3.6749 -3.6587 -3.6587 8.2809 8.2809 10.0617 10.0617 11.3500 11.3500 12.3387 12.3387 12.7679 12.7679 12.9622 12.9622 13.0272 13.0272 13.2700 13.2700 13.5822 13.5822 13.8661 13.8661 15.2213 15.2213 15.3524 15.3524 15.5010 15.5010 15.8083 15.8083 16.1166 16.1166 16.4241 16.4241 17.3204 17.3204 19.4237 19.4237 19.9396 19.9396 20.4674 20.4674 21.5375 21.5375 k = 0.1875 0.5000 0.1875 ( 2436 PWs) bands (ev): -4.7031 -4.7031 -4.6948 -4.6948 -3.6810 -3.6810 -3.6756 -3.6756 -3.6589 -3.6589 8.2549 8.2549 10.0047 10.0047 11.3983 11.3983 12.3113 12.3113 12.7324 12.7324 12.9057 12.9057 13.0801 13.0801 13.2771 13.2771 13.6081 13.6081 13.8780 13.8780 15.2161 15.2161 15.3713 15.3713 15.4747 15.4747 15.8020 15.8020 16.1092 16.1092 16.4419 16.4419 17.3235 17.3235 19.4270 19.4270 20.0516 20.0516 20.6197 20.6197 21.5578 21.5578 k = 0.1786 0.5000 0.1786 ( 2436 PWs) bands (ev): -4.7033 -4.7033 -4.6947 -4.6947 -3.6804 -3.6804 -3.6763 -3.6763 -3.6590 -3.6590 8.2281 8.2281 9.9487 9.9487 11.4499 11.4499 12.2845 12.2845 12.6977 12.6977 12.8514 12.8514 13.1279 13.1279 13.2887 13.2887 13.6342 13.6342 13.8939 13.8939 15.1994 15.1994 15.3755 15.3755 15.4697 15.4697 15.7912 15.7912 16.1023 16.1023 16.4646 16.4646 17.3301 17.3301 19.4294 19.4294 20.1659 20.1659 20.7729 20.7729 21.5821 21.5821 k = 0.1696 0.5000 0.1696 ( 2428 PWs) bands (ev): -4.7035 -4.7035 -4.6946 -4.6946 -3.6798 -3.6798 -3.6769 -3.6769 -3.6591 -3.6591 8.2007 8.2007 9.8942 9.8942 11.5040 11.5040 12.2583 12.2583 12.6641 12.6641 12.8001 12.8001 13.1686 13.1686 13.3062 13.3062 13.6601 13.6601 13.9137 13.9137 15.1758 15.1758 15.3599 15.3599 15.4864 15.4864 15.7769 15.7769 16.0945 16.0945 16.4920 16.4920 17.3407 17.3407 19.4322 19.4322 20.2812 20.2812 20.9259 20.9259 21.6112 21.6112 k = 0.1607 0.5000 0.1607 ( 2428 PWs) bands (ev): -4.7038 -4.7038 -4.6944 -4.6944 -3.6793 -3.6793 -3.6776 -3.6776 -3.6593 -3.6593 8.1731 8.1731 9.8412 9.8412 11.5603 11.5603 12.2326 12.2326 12.6316 12.6316 12.7523 12.7523 13.2001 13.2001 13.3310 13.3310 13.6854 13.6854 13.9370 13.9370 15.1476 15.1476 15.3382 15.3382 15.5089 15.5089 15.7603 15.7603 16.0845 16.0845 16.5234 16.5234 17.3560 17.3560 19.4365 19.4365 20.3968 20.3968 21.0776 21.0776 21.6463 21.6463 k = 0.1518 0.5000 0.1518 ( 2440 PWs) bands (ev): -4.7040 -4.7040 -4.6943 -4.6943 -3.6790 -3.6790 -3.6781 -3.6781 -3.6594 -3.6594 8.1455 8.1455 9.7900 9.7900 11.6180 11.6180 12.2074 12.2074 12.6004 12.6004 12.7083 12.7083 13.2229 13.2229 13.3624 13.3624 13.7101 13.7101 13.9635 13.9635 15.1162 15.1162 15.3172 15.3172 15.5292 15.5292 15.7425 15.7425 16.0717 16.0717 16.5576 16.5576 17.3767 17.3767 19.4427 19.4427 20.5120 20.5120 21.2260 21.2260 21.6889 21.6889 k = 0.1429 0.5000 0.1429 ( 2444 PWs) bands (ev): -4.7043 -4.7043 -4.6942 -4.6942 -3.6793 -3.6793 -3.6781 -3.6781 -3.6596 -3.6596 8.1182 8.1182 9.7407 9.7407 11.6765 11.6765 12.1828 12.1828 12.5707 12.5707 12.6680 12.6680 13.2394 13.2394 13.3975 13.3975 13.7343 13.7343 13.9923 13.9923 15.0831 15.0831 15.2987 15.2987 15.5447 15.5447 15.7246 15.7246 16.0556 16.0556 16.5931 16.5931 17.4031 17.4031 19.4512 19.4512 20.6261 20.6261 21.3682 21.3682 21.7421 21.7421 k = 0.1339 0.5000 0.1339 ( 2440 PWs) bands (ev): -4.7046 -4.7046 -4.6941 -4.6941 -3.6799 -3.6799 -3.6777 -3.6777 -3.6597 -3.6597 8.0915 8.0915 9.6935 9.6935 11.7351 11.7351 12.1589 12.1589 12.5428 12.5428 12.6315 12.6315 13.2522 13.2522 13.4336 13.4336 13.7582 13.7582 14.0227 14.0227 15.0496 15.0496 15.2830 15.2830 15.5543 15.5543 15.7077 15.7077 16.0362 16.0362 16.6284 16.6284 17.4354 17.4354 19.4624 19.4624 20.7386 20.7386 21.4993 21.4993 21.8106 21.8106 k = 0.1250 0.5000 0.1250 ( 2432 PWs) bands (ev): -4.7049 -4.7049 -4.6940 -4.6940 -3.6805 -3.6805 -3.6773 -3.6773 -3.6599 -3.6599 8.0656 8.0656 9.6486 9.6486 11.7929 11.7929 12.1361 12.1361 12.5169 12.5169 12.5986 12.5986 13.2629 13.2629 13.4688 13.4688 13.7820 13.7820 14.0538 14.0538 15.0168 15.0168 15.2699 15.2699 15.5575 15.5575 15.6926 15.6926 16.0135 16.0135 16.6621 16.6621 17.4734 17.4734 19.4764 19.4764 20.8489 20.8489 21.6134 21.6134 21.9000 21.9000 k = 0.1161 0.5000 0.1161 ( 2434 PWs) bands (ev): -4.7052 -4.7052 -4.6940 -4.6940 -3.6811 -3.6811 -3.6770 -3.6770 -3.6600 -3.6600 8.0407 8.0407 9.6061 9.6061 11.8487 11.8487 12.1149 12.1149 12.4933 12.4933 12.5690 12.5690 13.2725 13.2725 13.5022 13.5022 13.8056 13.8056 14.0845 14.0845 14.9858 14.9858 15.2596 15.2596 15.5547 15.5547 15.6798 15.6798 15.9877 15.9877 16.6934 16.6934 17.5166 17.5166 19.4932 19.4932 20.9563 20.9563 21.7090 21.7090 22.0116 22.0116 k = 0.1071 0.5000 0.1071 ( 2434 PWs) bands (ev): -4.7054 -4.7054 -4.6939 -4.6939 -3.6817 -3.6817 -3.6766 -3.6766 -3.6602 -3.6602 8.0170 8.0170 9.5662 9.5662 11.9007 11.9007 12.0969 12.0969 12.4720 12.4720 12.5425 12.5425 13.2813 13.2813 13.5336 13.5336 13.8287 13.8287 14.1140 14.1140 14.9576 14.9576 15.2519 15.2519 15.5468 15.5468 15.6689 15.6689 15.9590 15.9590 16.7218 16.7218 17.5640 17.5640 19.5127 19.5127 21.0603 21.0603 21.7912 21.7912 22.1395 22.1395 k = 0.0982 0.5000 0.0982 ( 2438 PWs) bands (ev): -4.7057 -4.7057 -4.6938 -4.6938 -3.6823 -3.6823 -3.6763 -3.6763 -3.6603 -3.6603 7.9946 7.9946 9.5291 9.5291 11.9447 11.9447 12.0854 12.0854 12.4532 12.4532 12.5191 12.5191 13.2895 13.2895 13.5627 13.5627 13.8509 13.8509 14.1414 14.1414 14.9328 14.9328 15.2472 15.2472 15.5351 15.5351 15.6593 15.6593 15.9278 15.9278 16.7469 16.7469 17.6144 17.6144 19.5349 19.5349 21.1600 21.1600 21.8667 21.8667 22.2756 22.2756 k = 0.0893 0.5000 0.0893 ( 2438 PWs) bands (ev): -4.7060 -4.7060 -4.6937 -4.6937 -3.6829 -3.6829 -3.6761 -3.6761 -3.6604 -3.6604 7.9738 7.9738 9.4947 9.4947 11.9728 11.9728 12.0879 12.0879 12.4370 12.4370 12.4986 12.4986 13.2971 13.2971 13.5899 13.5899 13.8717 13.8717 14.1662 14.1662 14.9120 14.9120 15.2457 15.2457 15.5213 15.5213 15.6501 15.6501 15.8943 15.8943 16.7690 16.7690 17.6663 17.6663 19.5593 19.5593 21.2548 21.2548 21.9396 21.9396 22.4129 22.4129 k = 0.0804 0.5000 0.0804 ( 2434 PWs) bands (ev): -4.7063 -4.7063 -4.6937 -4.6937 -3.6834 -3.6834 -3.6758 -3.6758 -3.6606 -3.6606 7.9546 7.9546 9.4633 9.4633 11.9795 11.9795 12.1094 12.1094 12.4234 12.4234 12.4810 12.4810 13.3042 13.3042 13.6152 13.6152 13.8904 13.8904 14.1877 14.1877 14.8956 14.8956 15.2476 15.2476 15.5065 15.5065 15.6407 15.6407 15.8590 15.8590 16.7881 16.7881 17.7183 17.7183 19.5858 19.5858 21.3436 21.3436 22.0104 22.0104 22.5308 22.5308 k = 0.0714 0.5000 0.0714 ( 2434 PWs) bands (ev): -4.7065 -4.7065 -4.6936 -4.6936 -3.6839 -3.6839 -3.6756 -3.6756 -3.6607 -3.6607 7.9371 7.9371 9.4349 9.4349 11.9729 11.9729 12.1409 12.1409 12.4124 12.4124 12.4664 12.4664 13.3108 13.3108 13.6390 13.6390 13.9064 13.9064 14.2060 14.2060 14.8834 14.8834 15.2533 15.2533 15.4917 15.4917 15.6307 15.6307 15.8223 15.8223 16.8046 16.8046 17.7689 17.7689 19.6136 19.6136 21.4253 21.4253 22.0768 22.0768 22.4922 22.4922 k = 0.0625 0.5000 0.0625 ( 2426 PWs) bands (ev): -4.7067 -4.7067 -4.6936 -4.6936 -3.6843 -3.6843 -3.6754 -3.6754 -3.6608 -3.6608 7.9215 7.9215 9.4097 9.4097 11.9618 11.9618 12.1728 12.1728 12.4039 12.4039 12.4552 12.4552 13.3167 13.3167 13.6613 13.6613 13.9191 13.9191 14.2209 14.2209 14.8751 14.8751 15.2632 15.2632 15.4776 15.4776 15.6198 15.6198 15.7849 15.7849 16.8186 16.8186 17.8168 17.8168 19.6421 19.6421 21.4981 21.4981 22.1289 22.1289 22.4045 22.4045 k = 0.0536 0.5000 0.0536 ( 2430 PWs) bands (ev): -4.7069 -4.7069 -4.6935 -4.6935 -3.6847 -3.6847 -3.6752 -3.6752 -3.6609 -3.6609 7.9078 7.9078 9.3876 9.3876 11.9500 11.9500 12.2008 12.2008 12.3975 12.3975 12.4479 12.4479 13.3218 13.3218 13.6822 13.6822 13.9281 13.9281 14.2330 14.2330 14.8702 14.8702 15.2775 15.2775 15.4647 15.4647 15.6075 15.6075 15.7480 15.7480 16.8304 16.8304 17.8607 17.8607 19.6704 19.6704 21.5598 21.5598 22.1410 22.1410 22.3661 22.3661 k = 0.0446 0.5000 0.0446 ( 2418 PWs) bands (ev): -4.7071 -4.7071 -4.6935 -4.6935 -3.6850 -3.6850 -3.6751 -3.6751 -3.6609 -3.6609 7.8961 7.8961 9.3688 9.3688 11.9390 11.9390 12.2230 12.2230 12.3927 12.3927 12.4447 12.4447 13.3263 13.3263 13.7016 13.7016 13.9336 13.9336 14.2425 14.2425 14.8678 14.8678 15.2961 15.2961 15.4532 15.4532 15.5929 15.5929 15.7130 15.7130 16.8402 16.8402 17.8996 17.8996 19.6975 19.6975 21.6075 21.6075 22.1063 22.1063 22.3897 22.3897 k = 0.0357 0.5000 0.0357 ( 2408 PWs) bands (ev): -4.7073 -4.7073 -4.6935 -4.6935 -3.6853 -3.6853 -3.6750 -3.6750 -3.6610 -3.6610 7.8864 7.8864 9.3534 9.3534 11.9296 11.9296 12.2390 12.2390 12.3887 12.3887 12.4455 12.4455 13.3299 13.3299 13.7191 13.7191 13.9357 13.9357 14.2500 14.2500 14.8672 14.8672 15.3189 15.3189 15.4436 15.4436 15.5744 15.5744 15.6826 15.6826 16.8480 16.8480 17.9326 17.9326 19.7222 19.7222 21.6383 21.6383 22.0635 22.0635 22.4377 22.4377 k = 0.0268 0.5000 0.0268 ( 2408 PWs) bands (ev): -4.7074 -4.7074 -4.6935 -4.6935 -3.6855 -3.6855 -3.6749 -3.6749 -3.6610 -3.6610 7.8789 7.8789 9.3414 9.3414 11.9219 11.9219 12.2496 12.2496 12.3853 12.3853 12.4490 12.4490 13.3328 13.3328 13.7342 13.7342 13.9354 13.9354 14.2556 14.2556 14.8674 14.8674 15.3453 15.3453 15.4362 15.4362 15.5504 15.5504 15.6591 15.6591 16.8540 16.8540 17.9590 17.9590 19.7433 19.7433 21.6519 21.6519 22.0340 22.0340 22.4865 22.4865 k = 0.0179 0.5000 0.0179 ( 2412 PWs) bands (ev): -4.7075 -4.7075 -4.6934 -4.6934 -3.6857 -3.6857 -3.6749 -3.6749 -3.6611 -3.6611 7.8735 7.8735 9.3327 9.3327 11.9164 11.9164 12.2561 12.2561 12.3827 12.3827 12.4533 12.4533 13.3348 13.3348 13.7461 13.7461 13.9338 13.9338 14.2596 14.2596 14.8680 14.8680 15.3742 15.3742 15.4315 15.4315 15.5208 15.5208 15.6437 15.6437 16.8583 16.8583 17.9782 17.9782 19.7594 19.7594 21.6528 21.6528 22.0197 22.0197 22.5265 22.5265 k = 0.0089 0.5000 0.0089 ( 2416 PWs) bands (ev): -4.7075 -4.7075 -4.6934 -4.6934 -3.6858 -3.6858 -3.6748 -3.6748 -3.6611 -3.6611 7.8702 7.8702 9.3275 9.3275 11.9130 11.9130 12.2594 12.2594 12.3811 12.3811 12.4566 12.4566 13.3360 13.3360 13.7538 13.7538 13.9320 13.9320 14.2620 14.2620 14.8685 14.8685 15.4013 15.4013 15.4325 15.4325 15.4887 15.4887 15.6354 15.6354 16.8609 16.8609 17.9899 17.9899 19.7696 19.7696 21.6489 21.6489 22.0150 22.0150 22.5524 22.5524 k = 0.0000 0.5000-0.0000 ( 2416 PWs) bands (ev): -4.7076 -4.7076 -4.6934 -4.6934 -3.6858 -3.6858 -3.6748 -3.6748 -3.6611 -3.6611 7.8691 7.8691 9.3258 9.3258 11.9118 11.9118 12.2604 12.2604 12.3805 12.3805 12.4578 12.4578 13.3364 13.3364 13.7564 13.7564 13.9313 13.9313 14.2628 14.2628 14.8687 14.8687 15.4118 15.4118 15.4438 15.4438 15.4652 15.4652 15.6328 15.6328 16.8617 16.8617 17.9938 17.9938 19.7731 19.7731 21.6468 21.6468 22.0142 22.0142 22.5614 22.5614 k = 0.5000 0.5000-0.0000 ( 2408 PWs) bands (ev): -4.6973 -4.6973 -4.6952 -4.6952 -3.6839 -3.6839 -3.6717 -3.6717 -3.6485 -3.6485 8.8994 8.8994 10.7381 10.7381 10.8857 10.8857 11.9594 11.9594 12.8862 12.8862 13.0073 13.0073 13.0346 13.0346 13.1121 13.1121 13.8557 13.8557 14.1155 14.1155 14.9780 14.9780 15.0989 15.0989 15.1522 15.1522 15.4132 15.4132 15.9198 15.9198 16.0494 16.0494 16.4978 16.4978 18.7835 18.7835 18.9061 18.9061 22.8890 22.8890 24.5668 24.5668 k = 0.5000 0.5000 0.0125 ( 2428 PWs) bands (ev): -4.6973 -4.6973 -4.6952 -4.6952 -3.6840 -3.6840 -3.6717 -3.6717 -3.6485 -3.6485 8.8979 8.8979 10.7392 10.7392 10.8868 10.8868 11.9624 11.9624 12.8719 12.8719 13.0073 13.0073 13.0203 13.0203 13.1408 13.1408 13.8553 13.8553 14.1142 14.1142 14.9731 14.9731 15.1006 15.1006 15.1564 15.1564 15.4149 15.4149 15.9199 15.9199 16.0520 16.0520 16.4986 16.4986 18.7823 18.7823 18.9046 18.9046 22.8687 22.8687 24.5833 24.5833 k = 0.5000 0.5000 0.0250 ( 2436 PWs) bands (ev): -4.6973 -4.6973 -4.6953 -4.6953 -3.6840 -3.6840 -3.6717 -3.6717 -3.6486 -3.6486 8.8932 8.8932 10.7427 10.7427 10.8900 10.8900 11.9713 11.9713 12.8331 12.8331 13.0050 13.0050 13.0074 13.0074 13.1959 13.1959 13.8540 13.8540 14.1106 14.1106 14.9595 14.9595 15.1059 15.1059 15.1683 15.1683 15.4202 15.4202 15.9201 15.9201 16.0594 16.0594 16.5010 16.5010 18.7790 18.7790 18.9002 18.9002 22.8106 22.8106 24.6261 24.6261 k = 0.5000 0.5000 0.0375 ( 2436 PWs) bands (ev): -4.6974 -4.6974 -4.6954 -4.6954 -3.6842 -3.6842 -3.6716 -3.6716 -3.6487 -3.6487 8.8855 8.8855 10.7485 10.7485 10.8953 10.8953 11.9861 11.9861 12.7796 12.7796 12.9980 12.9980 13.0076 13.0076 13.2576 13.2576 13.8523 13.8523 14.1047 14.1047 14.9395 14.9395 15.1146 15.1146 15.1856 15.1856 15.4289 15.4289 15.9204 15.9204 16.0713 16.0713 16.5052 16.5052 18.7733 18.7733 18.8927 18.8927 22.7218 22.7218 24.6720 24.6720 k = 0.5000 0.5000 0.0500 ( 2436 PWs) bands (ev): -4.6975 -4.6975 -4.6955 -4.6955 -3.6843 -3.6843 -3.6715 -3.6715 -3.6489 -3.6489 8.8749 8.8749 10.7566 10.7566 10.9028 10.9028 12.0067 12.0067 12.7196 12.7196 12.9958 12.9958 13.0079 13.0079 13.3207 13.3207 13.8510 13.8510 14.0967 14.0967 14.9150 14.9150 15.1267 15.1267 15.2068 15.2068 15.4409 15.4409 15.9208 15.9208 16.0869 16.0869 16.5114 16.5114 18.7654 18.7654 18.8821 18.8821 22.6104 22.6104 24.6737 24.6737 k = 0.5000 0.5000 0.0625 ( 2432 PWs) bands (ev): -4.6976 -4.6976 -4.6956 -4.6956 -3.6846 -3.6846 -3.6714 -3.6714 -3.6492 -3.6492 8.8615 8.8615 10.7668 10.7668 10.9122 10.9122 12.0328 12.0328 12.6570 12.6570 12.9962 12.9962 13.0084 13.0084 13.3828 13.3828 13.8511 13.8511 14.0868 14.0868 14.8874 14.8874 15.1420 15.1420 15.2306 15.2306 15.4561 15.4561 15.9215 15.9215 16.1053 16.1053 16.5199 16.5199 18.7552 18.7552 18.8685 18.8685 22.4833 22.4833 24.5939 24.5939 k = 0.5000 0.5000 0.0750 ( 2440 PWs) bands (ev): -4.6977 -4.6977 -4.6958 -4.6958 -3.6849 -3.6849 -3.6713 -3.6713 -3.6495 -3.6495 8.8456 8.8456 10.7793 10.7793 10.9236 10.9236 12.0642 12.0642 12.5935 12.5935 12.9982 12.9982 13.0093 13.0093 13.4414 13.4414 13.8544 13.8544 14.0752 14.0752 14.8575 14.8575 15.1604 15.1604 15.2566 15.2566 15.4740 15.4740 15.9222 15.9222 16.1254 16.1254 16.5311 16.5311 18.7426 18.7426 18.8516 18.8516 22.3459 22.3459 24.4585 24.4585 k = 0.5000 0.5000 0.0875 ( 2424 PWs) bands (ev): -4.6978 -4.6978 -4.6959 -4.6959 -3.6852 -3.6852 -3.6711 -3.6711 -3.6498 -3.6498 8.8273 8.8273 10.7937 10.7937 10.9369 10.9369 12.1007 12.1007 12.5302 12.5302 13.0015 13.0015 13.0106 13.0106 13.4939 13.4939 13.8633 13.8633 14.0623 14.0623 14.8261 14.8261 15.1818 15.1818 15.2842 15.2842 15.4946 15.4946 15.9232 15.9232 16.1460 16.1460 16.5453 16.5453 18.7276 18.7276 18.8314 18.8314 22.2018 22.2018 24.3008 24.3008 k = 0.5000 0.5000 0.1000 ( 2424 PWs) bands (ev): -4.6980 -4.6980 -4.6962 -4.6962 -3.6856 -3.6856 -3.6710 -3.6710 -3.6502 -3.6502 8.8069 8.8069 10.8102 10.8102 10.9518 10.9518 12.1421 12.1421 12.4674 12.4674 13.0057 13.0057 13.0126 13.0126 13.5373 13.5373 13.8808 13.8808 14.0482 14.0482 14.7938 14.7938 15.2060 15.2060 15.3130 15.3130 15.5175 15.5175 15.9244 15.9244 16.1662 16.1662 16.5631 16.5631 18.7102 18.7102 18.8079 18.8079 22.0537 22.0537 24.1360 24.1361 k = 0.5000 0.5000 0.1125 ( 2424 PWs) bands (ev): -4.6981 -4.6981 -4.6964 -4.6964 -3.6860 -3.6860 -3.6708 -3.6708 -3.6506 -3.6506 8.7847 8.7847 10.8284 10.8284 10.9684 10.9684 12.1879 12.1879 12.4056 12.4056 13.0109 13.0109 13.0154 13.0154 13.5692 13.5692 13.9093 13.9093 14.0331 14.0331 14.7611 14.7611 15.2329 15.2329 15.3428 15.3428 15.5422 15.5422 15.9259 15.9259 16.1848 16.1848 16.5846 16.5846 18.6902 18.6902 18.7808 18.7808 21.9035 21.9035 23.9548 23.9704 k = 0.5000 0.5000 0.1250 ( 2424 PWs) bands (ev): -4.6983 -4.6983 -4.6966 -4.6966 -3.6864 -3.6864 -3.6706 -3.6706 -3.6511 -3.6511 8.7608 8.7608 10.8484 10.8484 10.9864 10.9864 12.2378 12.2378 12.3448 12.3448 13.0172 13.0172 13.0192 13.0192 13.5892 13.5892 13.9493 13.9493 14.0173 14.0173 14.7283 14.7283 15.2622 15.2622 15.3733 15.3733 15.5686 15.5686 15.9277 15.9277 16.2011 16.2011 16.6101 16.6101 18.6677 18.6677 18.7502 18.7502 21.7527 21.7527 23.7711 23.7711 k = 0.5000 0.5000 0.1375 ( 2432 PWs) bands (ev): -4.6986 -4.6986 -4.6969 -4.6969 -3.6869 -3.6869 -3.6703 -3.6703 -3.6515 -3.6515 8.7356 8.7356 10.8699 10.8699 11.0057 11.0057 12.2853 12.2853 12.2916 12.2916 13.0242 13.0242 13.0245 13.0245 13.5991 13.5991 13.9990 13.9990 14.0010 14.0010 14.6958 14.6958 15.2939 15.2939 15.4041 15.4041 15.5960 15.5960 15.9299 15.9299 16.2147 16.2147 16.6395 16.6395 18.6426 18.6426 18.7159 18.7159 21.6021 21.6021 23.5928 23.5928 k = 0.5000 0.5000 0.1500 ( 2432 PWs) bands (ev): -4.6988 -4.6988 -4.6972 -4.6972 -3.6875 -3.6875 -3.6701 -3.6701 -3.6521 -3.6521 8.7093 8.7093 10.8928 10.8928 11.0261 11.0261 12.2272 12.2272 12.3489 12.3489 13.0308 13.0308 13.0329 13.0329 13.6019 13.6019 13.9844 13.9844 14.0555 14.0555 14.6639 14.6639 15.3278 15.3278 15.4349 15.4349 15.6243 15.6243 15.9327 15.9327 16.2252 16.2252 16.6724 16.6724 18.6148 18.6148 18.6780 18.6780 21.4526 21.4526 23.4203 23.4203 k = 0.5000 0.5000 0.1625 ( 2432 PWs) bands (ev): -4.6990 -4.6990 -4.6975 -4.6975 -3.6881 -3.6881 -3.6698 -3.6698 -3.6526 -3.6526 8.6821 8.6821 10.9169 10.9169 11.0473 11.0473 12.1706 12.1706 12.4092 12.4092 13.0392 13.0392 13.0426 13.0426 13.6002 13.6002 13.9675 13.9675 14.1162 14.1162 14.6330 14.6330 15.3635 15.3635 15.4653 15.4653 15.6528 15.6528 15.9363 15.9363 16.2327 16.2327 16.7083 16.7083 18.5845 18.5845 18.6364 18.6364 21.3048 21.3048 23.2539 23.2539 k = 0.5000 0.5000 0.1750 ( 2432 PWs) bands (ev): -4.6993 -4.6993 -4.6979 -4.6979 -3.6887 -3.6887 -3.6695 -3.6695 -3.6532 -3.6532 8.6542 8.6542 10.9420 10.9420 11.0693 11.0693 12.1155 12.1155 12.4721 12.4721 13.0499 13.0499 13.0536 13.0536 13.5959 13.5959 13.9506 13.9506 14.1792 14.1792 14.6032 14.6032 15.4007 15.4007 15.4951 15.4951 15.6811 15.6811 15.9409 15.9409 16.2373 16.2373 16.7465 16.7465 18.5517 18.5517 18.5911 18.5911 21.1591 21.1591 23.0940 23.0940 k = 0.5000 0.5000 0.1875 ( 2424 PWs) bands (ev): -4.6995 -4.6995 -4.6982 -4.6982 -3.6894 -3.6894 -3.6692 -3.6692 -3.6537 -3.6537 8.6260 8.6260 10.9679 10.9679 11.0917 11.0917 12.0621 12.0621 12.5373 12.5373 13.0631 13.0631 13.0661 13.0661 13.5903 13.5903 13.9337 13.9337 14.2432 14.2432 14.5748 14.5748 15.4392 15.4392 15.5238 15.5238 15.7086 15.7086 15.9471 15.9471 16.2392 16.2392 16.7864 16.7864 18.5164 18.5164 18.5423 18.5423 21.0161 21.0161 22.9407 22.9407 k = 0.5000 0.5000 0.2000 ( 2416 PWs) bands (ev): -4.6998 -4.6998 -4.6986 -4.6986 -3.6901 -3.6901 -3.6689 -3.6689 -3.6543 -3.6543 8.5976 8.5976 10.9944 10.9944 11.1143 11.1143 12.0105 12.0105 12.6042 12.6042 13.0793 13.0793 13.0801 13.0801 13.5844 13.5844 13.9170 13.9170 14.3073 14.3073 14.5479 14.5479 15.4782 15.4782 15.5512 15.5512 15.7345 15.7345 15.9555 15.9555 16.2387 16.2387 16.8273 16.8273 18.4787 18.4787 18.4903 18.4903 20.8760 20.8760 22.7944 22.7944 k = 0.5000 0.5000 0.2125 ( 2416 PWs) bands (ev): -4.7001 -4.7001 -4.6990 -4.6990 -3.6908 -3.6908 -3.6686 -3.6686 -3.6549 -3.6549 8.5691 8.5691 11.0212 11.0212 11.1369 11.1369 11.9606 11.9606 12.6721 12.6721 13.0958 13.0958 13.0991 13.0991 13.5787 13.5787 13.9006 13.9006 14.3709 14.3709 14.5226 14.5226 15.5173 15.5173 15.5767 15.5767 15.7578 15.7578 15.9672 15.9672 16.2358 16.2358 16.8685 16.8685 18.4352 18.4352 18.4390 18.4390 20.7391 20.7391 22.6551 22.6551 k = 0.5000 0.5000 0.2250 ( 2416 PWs) bands (ev): -4.7004 -4.7004 -4.6993 -4.6993 -3.6915 -3.6915 -3.6683 -3.6683 -3.6555 -3.6555 8.5408 8.5408 11.0481 11.0481 11.1593 11.1593 11.9124 11.9124 12.7404 12.7404 13.1132 13.1132 13.1231 13.1231 13.5738 13.5738 13.8846 13.8846 14.4334 14.4334 14.4991 14.4991 15.5557 15.5557 15.6001 15.6001 15.7775 15.7775 15.9834 15.9834 16.2308 16.2308 16.9094 16.9094 18.3775 18.3775 18.3973 18.3973 20.6059 20.6059 22.5231 22.5231 k = 0.5000 0.5000 0.2375 ( 2416 PWs) bands (ev): -4.7007 -4.7007 -4.6997 -4.6997 -3.6923 -3.6923 -3.6679 -3.6679 -3.6560 -3.6560 8.5128 8.5128 11.0748 11.0748 11.1811 11.1811 11.8662 11.8662 12.8081 12.8081 13.1323 13.1323 13.1519 13.1519 13.5701 13.5701 13.8693 13.8693 14.4773 14.4773 14.4944 14.4944 15.5925 15.5925 15.6209 15.6209 15.7925 15.7925 16.0053 16.0053 16.2237 16.2237 16.9494 16.9494 18.3177 18.3177 18.3540 18.3540 20.4764 20.4764 22.3983 22.3983 k = 0.5000 0.5000 0.2500 ( 2408 PWs) bands (ev): -4.7010 -4.7010 -4.7001 -4.7001 -3.6931 -3.6931 -3.6676 -3.6676 -3.6566 -3.6566 8.4852 8.4852 11.1012 11.1012 11.2023 11.2023 11.8219 11.8219 12.8743 12.8743 13.1532 13.1532 13.1865 13.1865 13.5680 13.5680 13.8549 13.8549 14.4573 14.4573 14.5537 14.5537 15.6269 15.6269 15.6386 15.6386 15.8021 15.8021 16.0338 16.0338 16.2146 16.2146 16.9879 16.9879 18.2566 18.2566 18.3096 18.3096 20.3511 20.3511 22.2808 22.2808 k = 0.5000 0.5000 0.2625 ( 2416 PWs) bands (ev): -4.7013 -4.7013 -4.7005 -4.7005 -3.6939 -3.6939 -3.6673 -3.6673 -3.6572 -3.6572 8.4583 8.4583 11.1270 11.1270 11.2227 11.2227 11.7795 11.7795 12.9377 12.9377 13.1756 13.1756 13.2277 13.2277 13.5680 13.5680 13.8416 13.8416 14.4390 14.4390 14.6110 14.6110 15.6529 15.6529 15.6580 15.6580 15.8062 15.8062 16.0691 16.0691 16.2036 16.2036 17.0243 17.0243 18.1949 18.1949 18.2644 18.2644 20.2301 20.2301 22.1705 22.1705 k = 0.5000 0.5000 0.2750 ( 2416 PWs) bands (ev): -4.7016 -4.7016 -4.7009 -4.7009 -3.6947 -3.6947 -3.6669 -3.6669 -3.6577 -3.6577 8.4322 8.4322 11.1520 11.1520 11.2420 11.2420 11.7390 11.7390 12.9973 12.9973 13.1992 13.1992 13.2761 13.2761 13.5705 13.5705 13.8298 13.8298 14.4224 14.4224 14.6661 14.6661 15.6633 15.6633 15.6850 15.6850 15.8054 15.8054 16.1108 16.1108 16.1907 16.1907 17.0578 17.0578 18.1336 18.1336 18.2190 18.2190 20.1137 20.1137 22.0673 22.0673 k = 0.5000 0.5000 0.2875 ( 2416 PWs) bands (ev): -4.7019 -4.7019 -4.7012 -4.7012 -3.6955 -3.6955 -3.6666 -3.6666 -3.6582 -3.6582 8.4069 8.4069 11.1759 11.1759 11.2601 11.2601 11.7006 11.7006 13.0527 13.0527 13.2238 13.2238 13.3317 13.3317 13.5760 13.5760 13.8199 13.8199 14.4075 14.4075 14.7189 14.7189 15.6692 15.6692 15.7069 15.7069 15.8006 15.8006 16.1581 16.1581 16.1761 16.1761 17.0879 17.0879 18.0738 18.0738 18.1739 18.1739 20.0023 20.0023 21.9709 21.9709 k = 0.5000 0.5000 0.3000 ( 2420 PWs) bands (ev): -4.7022 -4.7022 -4.7016 -4.7016 -3.6963 -3.6963 -3.6662 -3.6662 -3.6587 -3.6587 8.3825 8.3825 11.1987 11.1987 11.2769 11.2769 11.6643 11.6643 13.1036 13.1036 13.2485 13.2485 13.3940 13.3940 13.5854 13.5854 13.8124 13.8124 14.3941 14.3941 14.7690 14.7690 15.6702 15.6702 15.7217 15.7217 15.7941 15.7941 16.1597 16.1597 16.2102 16.2102 17.1139 17.1139 18.0167 18.0167 18.1296 18.1296 19.8960 19.8960 21.8811 21.8811 k = 0.5000 0.5000 0.3125 ( 2408 PWs) bands (ev): -4.7025 -4.7025 -4.7020 -4.7020 -3.6970 -3.6970 -3.6659 -3.6659 -3.6592 -3.6592 8.3593 8.3593 11.2202 11.2202 11.2925 11.2925 11.6300 11.6300 13.1504 13.1504 13.2726 13.2726 13.4618 13.4618 13.5994 13.5994 13.8079 13.8079 14.3821 14.3821 14.8166 14.8166 15.6658 15.6658 15.7250 15.7250 15.7905 15.7905 16.1417 16.1417 16.2662 16.2662 17.1349 17.1349 17.9637 17.9637 18.0867 18.0867 19.7952 19.7952 21.7975 21.7975 k = 0.5000 0.5000 0.3250 ( 2408 PWs) bands (ev): -4.7028 -4.7028 -4.7023 -4.7023 -3.6978 -3.6978 -3.6656 -3.6656 -3.6597 -3.6597 8.3371 8.3371 11.2403 11.2403 11.3066 11.3066 11.5979 11.5979 13.1934 13.1934 13.2953 13.2953 13.5335 13.5335 13.6188 13.6188 13.8072 13.8072 14.3714 14.3714 14.8614 14.8614 15.6555 15.6555 15.7131 15.7131 15.7937 15.7937 16.1222 16.1222 16.3251 16.3251 17.1504 17.1504 17.9160 17.9160 18.0457 18.0457 19.7001 19.7001 21.7198 21.7198 k = 0.5000 0.5000 0.3375 ( 2408 PWs) bands (ev): -4.7030 -4.7030 -4.7026 -4.7026 -3.6985 -3.6985 -3.6652 -3.6652 -3.6601 -3.6601 8.3162 8.3162 11.2588 11.2588 11.3193 11.3193 11.5679 11.5679 13.2328 13.2328 13.3157 13.3157 13.6080 13.6080 13.6443 13.6443 13.8111 13.8111 14.3618 14.3618 14.9033 14.9033 15.6390 15.6390 15.6891 15.6891 15.8011 15.8011 16.1014 16.1014 16.3859 16.3859 17.1598 17.1598 17.8749 17.8749 18.0071 18.0071 19.6109 19.6109 21.6475 21.6475 k = 0.5000 0.5000 0.3500 ( 2408 PWs) bands (ev): -4.7033 -4.7033 -4.7030 -4.7030 -3.6992 -3.6992 -3.6649 -3.6649 -3.6605 -3.6605 8.2966 8.2966 11.2758 11.2758 11.3306 11.3306 11.5400 11.5400 13.2681 13.2681 13.3333 13.3333 13.6761 13.6761 13.6842 13.6842 13.8204 13.8204 14.3534 14.3534 14.9424 14.9424 15.6161 15.6161 15.6568 15.6568 15.8094 15.8094 16.0794 16.0794 16.4477 16.4477 17.1630 17.1630 17.8410 17.8410 17.9712 17.9712 19.5280 19.5280 21.5801 21.5801 k = 0.5000 0.5000 0.3625 ( 2416 PWs) bands (ev): -4.7036 -4.7036 -4.7033 -4.7033 -3.6999 -3.6999 -3.6646 -3.6646 -3.6609 -3.6609 8.2783 8.2783 11.2911 11.2911 11.3406 11.3406 11.5143 11.5143 13.2989 13.2989 13.3480 13.3480 13.7140 13.7140 13.7609 13.7609 13.8357 13.8357 14.3458 14.3458 14.9784 14.9784 15.5868 15.5868 15.6182 15.6182 15.8173 15.8173 16.0563 16.0563 16.5096 16.5096 17.1603 17.1603 17.8146 17.8146 17.9383 17.9383 19.4514 19.4514 21.5172 21.5172 k = 0.5000 0.5000 0.3750 ( 2416 PWs) bands (ev): -4.7038 -4.7038 -4.7036 -4.7036 -3.7005 -3.7005 -3.6644 -3.6644 -3.6613 -3.6613 8.2614 8.2614 11.3049 11.3049 11.3494 11.3494 11.4908 11.4908 13.3249 13.3249 13.3598 13.3598 13.7575 13.7575 13.8374 13.8374 13.8575 13.8575 14.3390 14.3390 15.0114 15.0114 15.5512 15.5512 15.5742 15.5742 15.8243 15.8243 16.0324 16.0324 16.5707 16.5707 17.1525 17.1525 17.7954 17.7954 17.9085 17.9085 19.3813 19.3813 21.4583 21.4583 k = 0.5000 0.5000 0.3875 ( 2412 PWs) bands (ev): -4.7040 -4.7040 -4.7038 -4.7038 -3.7011 -3.7011 -3.6641 -3.6641 -3.6616 -3.6616 8.2460 8.2460 11.3171 11.3171 11.3570 11.3570 11.4696 11.4696 13.3459 13.3459 13.3693 13.3693 13.8055 13.8055 13.8852 13.8852 13.9134 13.9134 14.3328 14.3328 15.0413 15.0413 15.5099 15.5099 15.5259 15.5259 15.8305 15.8305 16.0080 16.0080 16.6302 16.6302 17.1409 17.1409 17.7824 17.7824 17.8819 17.8819 19.3180 19.3180 21.4032 21.4032 k = 0.5000 0.5000 0.4000 ( 2420 PWs) bands (ev): -4.7042 -4.7042 -4.7041 -4.7041 -3.7017 -3.7017 -3.6639 -3.6639 -3.6619 -3.6619 8.2321 8.2321 11.3277 11.3277 11.3634 11.3634 11.4506 11.4506 13.3622 13.3622 13.3767 13.3767 13.8568 13.8568 13.9186 13.9186 13.9873 13.9873 14.3273 14.3273 15.0681 15.0681 15.4636 15.4636 15.4744 15.4744 15.8358 15.8358 15.9834 15.9834 16.6870 16.6870 17.1269 17.1269 17.7745 17.7745 17.8584 17.8584 19.2614 19.2614 21.3516 21.3516 k = 0.5000 0.5000 0.4125 ( 2420 PWs) bands (ev): -4.7044 -4.7044 -4.7043 -4.7043 -3.7021 -3.7021 -3.6637 -3.6637 -3.6621 -3.6621 8.2198 8.2198 11.3368 11.3368 11.3689 11.3689 11.4340 11.4340 13.3742 13.3742 13.3826 13.3826 13.9102 13.9102 13.9560 13.9560 14.0585 14.0585 14.3224 14.3224 15.0915 15.0915 15.4133 15.4133 15.4208 15.4208 15.8404 15.8404 15.9590 15.9590 16.7403 16.7403 17.1119 17.1119 17.7704 17.7704 17.8381 17.8381 19.2116 19.2116 21.3037 21.3037 k = 0.5000 0.5000 0.4250 ( 2420 PWs) bands (ev): -4.7045 -4.7045 -4.7045 -4.7045 -3.7026 -3.7026 -3.6635 -3.6635 -3.6623 -3.6623 8.2090 8.2090 11.3443 11.3443 11.3734 11.3734 11.4197 11.4197 13.3829 13.3829 13.3872 13.3872 13.9640 13.9640 13.9958 13.9958 14.1256 14.1256 14.3185 14.3185 15.1117 15.1117 15.3604 15.3604 15.3670 15.3670 15.8443 15.8443 15.9355 15.9355 16.7892 16.7892 17.0972 17.0972 17.7689 17.7689 17.8207 17.8207 19.1686 19.1686 21.2596 21.2596 k = 0.5000 0.5000 0.4375 ( 2420 PWs) bands (ev): -4.7047 -4.7047 -4.7046 -4.7046 -3.7029 -3.7029 -3.6633 -3.6633 -3.6625 -3.6625 8.1999 8.1999 11.3503 11.3503 11.3771 11.3771 11.4078 11.4078 13.3888 13.3888 13.3907 13.3907 14.0164 14.0164 14.0361 14.0361 14.1855 14.1855 14.3173 14.3173 15.1282 15.1282 15.3069 15.3069 15.3148 15.3148 15.8474 15.8474 15.9135 15.9135 16.8326 16.8326 17.0836 17.0836 17.7690 17.7690 17.8061 17.8061 19.1324 19.1324 21.2200 21.2200 k = 0.5000 0.5000 0.4500 ( 2428 PWs) bands (ev): -4.7048 -4.7048 -4.7047 -4.7047 -3.7032 -3.7032 -3.6632 -3.6632 -3.6627 -3.6627 8.1923 8.1923 11.3547 11.3547 11.3800 11.3800 11.3985 11.3985 13.3928 13.3928 13.3934 13.3934 14.0652 14.0652 14.0750 14.0750 14.2312 14.2312 14.3240 14.3240 15.1407 15.1407 15.2550 15.2550 15.2670 15.2670 15.8500 15.8500 15.8938 15.8938 16.8696 16.8696 17.0719 17.0719 17.7700 17.7700 17.7944 17.7944 19.1029 19.1029 21.1858 21.1858 k = 0.5000 0.5000 0.4625 ( 2440 PWs) bands (ev): -4.7049 -4.7049 -4.7048 -4.7048 -3.7035 -3.7035 -3.6631 -3.6631 -3.6628 -3.6628 8.1864 8.1864 11.3576 11.3576 11.3821 11.3821 11.3918 11.3918 13.3953 13.3953 13.3954 13.3954 14.1079 14.1079 14.1106 14.1106 14.2525 14.2525 14.3465 14.3465 15.1476 15.1476 15.2079 15.2079 15.2276 15.2276 15.8520 15.8520 15.8774 15.8774 16.8995 16.8995 17.0624 17.0624 17.7713 17.7713 17.7852 17.7852 19.0801 19.0801 21.1579 21.1579 k = 0.5000 0.5000 0.4750 ( 2440 PWs) bands (ev): -4.7049 -4.7049 -4.7049 -4.7049 -3.7037 -3.7037 -3.6630 -3.6630 -3.6629 -3.6629 8.1822 8.1822 11.3590 11.3590 11.3837 11.3837 11.3876 11.3876 13.3968 13.3968 13.3968 13.3968 14.1407 14.1407 14.1416 14.1416 14.2544 14.2544 14.3768 14.3768 15.1465 15.1465 15.1693 15.1693 15.2024 15.2024 15.8534 15.8534 15.8649 15.8649 16.9214 16.9214 17.0555 17.0555 17.7724 17.7724 17.7787 17.7787 19.0639 19.0639 21.1371 21.1371 k = 0.5000 0.5000 0.4875 ( 2440 PWs) bands (ev): -4.7050 -4.7050 -4.7050 -4.7050 -3.7038 -3.7038 -3.6630 -3.6630 -3.6629 -3.6629 8.1797 8.1797 11.3594 11.3594 11.3846 11.3846 11.3855 11.3855 13.3976 13.3976 13.3976 13.3976 14.1624 14.1624 14.1633 14.1633 14.2497 14.2497 14.4000 14.4000 15.1388 15.1388 15.1436 15.1436 15.1928 15.1928 15.8542 15.8542 15.8571 15.8571 16.9348 16.9348 17.0513 17.0513 17.7732 17.7732 17.7748 17.7748 19.0541 19.0541 21.1243 21.1243 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -4.7050 -4.7050 -4.7050 -4.7050 -3.7038 -3.7038 -3.6630 -3.6630 -3.6630 -3.6630 8.1789 8.1789 11.3595 11.3595 11.3849 11.3849 11.3849 11.3849 13.3979 13.3979 13.3979 13.3979 14.1709 14.1709 14.1709 14.1709 14.2468 14.2468 14.4086 14.4086 15.1345 15.1345 15.1345 15.1345 15.1909 15.1909 15.8545 15.8545 15.8545 15.8545 16.9394 16.9394 17.0499 17.0499 17.7735 17.7735 17.7735 17.7735 19.0509 19.0509 21.1200 21.1200 Writing output data file SnPt3.save init_run : 0.22s CPU 0.36s WALL ( 1 calls) electrons : 137.14s CPU 140.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 137.14s CPU 140.18s 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 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 307 calls) cegterg : 128.58s CPU 130.89s WALL ( 599 calls) Called by sum_band: Called by *egterg: h_psi : 56.00s CPU 57.45s WALL ( 9725 calls) s_psi : 5.52s CPU 5.61s WALL ( 9725 calls) g_psi : 0.14s CPU 0.17s WALL ( 8819 calls) cdiaghg : 60.50s CPU 61.35s WALL ( 9126 calls) cegterg:over : 4.88s CPU 4.95s WALL ( 8819 calls) cegterg:upda : 3.20s CPU 3.23s WALL ( 8819 calls) cegterg:last : 2.24s CPU 2.21s WALL ( 1520 calls) cdiaghg:chol : 3.22s CPU 3.27s WALL ( 9126 calls) cdiaghg:inve : 2.29s CPU 2.28s WALL ( 9126 calls) cdiaghg:para : 3.69s CPU 3.50s WALL ( 18252 calls) Called by h_psi: h_psi:vloc : 44.57s CPU 45.70s WALL ( 9725 calls) h_psi:vnl : 11.27s CPU 11.58s WALL ( 9725 calls) add_vuspsi : 6.12s CPU 6.31s WALL ( 9725 calls) General routines calbec : 5.10s CPU 5.25s WALL ( 9725 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 40.52s CPU 41.49s WALL ( 965492 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.45s WALL ( 614 calls) Parallel routines fft_scatter : 20.05s CPU 20.77s WALL ( 965515 calls) PWSCF : 2m29.17s CPU 2m52.61s WALL This run was terminated on: 21:10:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=