Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:21:20 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: ./SnPt3C.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 51 23 6 1671 485 80 Max 52 24 8 1676 506 85 Sum 1869 829 249 60269 17845 2969 bravais-lattice index = 14 lattice parameter (alat) = 7.3510 a.u. unit-cell volume = 397.2330 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 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)= 7.351034 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 PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 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) C 4.00 12.01070 C( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031746 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031746 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031746 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031746 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031746 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031746 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031746 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031746 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031746 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031746 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031746 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031746 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031746 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031746 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031746 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031746 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031746 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031746 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031746 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031746 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031746 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031746 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031746 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031746 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031746 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031746 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031746 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031746 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031746 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031746 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031746 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031746 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031746 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031746 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031746 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031746 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031746 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031746 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031746 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031746 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031746 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031746 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031746 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031746 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031746 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031746 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031746 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031746 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031746 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031746 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031746 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031746 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031746 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031746 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031746 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031746 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031746 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031746 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031746 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031746 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031746 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031746 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031746 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031746 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031746 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031746 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031746 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031746 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031746 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031746 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031746 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031746 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031746 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031746 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031746 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031746 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031746 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031746 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031746 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031746 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0031746 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0031746 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0031746 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0031746 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0031746 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0031746 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0031746 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0031746 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0031746 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0031746 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0031746 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0031746 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0031746 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0031746 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0031746 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0031746 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0031746 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0031746 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0031746 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0031746 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0031746 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0031746 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0031746 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0031746 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0031746 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0031746 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0031746 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0031746 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031746 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0031746 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0031746 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0031746 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0031746 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0031746 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0031746 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0031746 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0031746 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0031746 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0031746 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0031746 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0031746 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0031746 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0031746 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0031746 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0031746 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0031746 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0031746 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0031746 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0031746 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0031746 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0031746 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0031746 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0031746 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0031746 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0031746 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0031746 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 145) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031746 k( 146) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031746 k( 147) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031746 k( 148) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031746 k( 149) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031746 k( 150) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031746 k( 151) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031746 k( 152) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031746 k( 153) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031746 k( 154) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031746 k( 155) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031746 k( 156) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031746 k( 157) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031746 k( 158) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031746 k( 159) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031746 k( 160) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031746 k( 161) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031746 k( 162) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031746 k( 163) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031746 k( 164) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031746 k( 165) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031746 k( 166) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031746 k( 167) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031746 k( 168) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031746 k( 169) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031746 k( 170) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031746 k( 171) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031746 k( 172) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031746 k( 173) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031746 k( 174) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031746 k( 175) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031746 k( 176) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031746 k( 177) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031746 k( 178) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031746 k( 179) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031746 k( 180) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031746 k( 181) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031746 k( 182) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031746 k( 183) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031746 k( 184) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031746 k( 185) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031746 k( 186) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031746 k( 187) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031746 k( 188) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031746 k( 189) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031746 k( 190) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031746 k( 191) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031746 k( 192) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031746 k( 193) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031746 k( 194) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031746 k( 195) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031746 k( 196) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031746 k( 197) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031746 k( 198) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031746 k( 199) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031746 k( 200) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031746 k( 201) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031746 k( 202) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031746 k( 203) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031746 k( 204) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031746 k( 205) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031746 k( 206) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031746 k( 207) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031746 k( 208) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031746 k( 209) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031746 k( 210) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031746 k( 211) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031746 k( 212) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031746 k( 213) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031746 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 216) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031746 k( 217) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031746 k( 218) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031746 k( 219) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031746 k( 220) = ( 0.4568966 0.5000000 0.4568965), wk = 0.0031746 k( 221) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031746 k( 222) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031746 k( 223) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031746 k( 224) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031746 k( 225) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031746 k( 226) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031746 k( 227) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031746 k( 228) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031746 k( 229) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031746 k( 230) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031746 k( 231) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031746 k( 232) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031746 k( 233) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031746 k( 234) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031746 k( 235) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031746 k( 236) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031746 k( 237) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031746 k( 238) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031746 k( 239) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031746 k( 240) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031746 k( 241) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031746 k( 242) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031746 k( 243) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031746 k( 244) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031746 k( 245) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031746 k( 246) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031746 k( 247) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031746 k( 248) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031746 k( 249) = ( 0.2068966 0.5000000 0.2068965), wk = 0.0031746 k( 250) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031746 k( 251) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031746 k( 252) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031746 k( 253) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031746 k( 254) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031746 k( 255) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031746 k( 256) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031746 k( 257) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031746 k( 258) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031746 k( 259) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031746 k( 260) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031746 k( 261) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031746 k( 262) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031746 k( 263) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031746 k( 264) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031746 k( 265) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031746 k( 266) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031746 k( 267) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031746 k( 268) = ( 0.0431035 0.5000000 0.0431034), wk = 0.0031746 k( 269) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031746 k( 270) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031746 k( 271) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031746 k( 272) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031746 k( 273) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 274) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 275) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031746 k( 276) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031746 k( 277) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031746 k( 278) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031746 k( 279) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031746 k( 280) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031746 k( 281) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031746 k( 282) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031746 k( 283) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031746 k( 284) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031746 k( 285) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031746 k( 286) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031746 k( 287) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031746 k( 288) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031746 k( 289) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031746 k( 290) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031746 k( 291) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031746 k( 292) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031746 k( 293) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031746 k( 294) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031746 k( 295) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031746 k( 296) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031746 k( 297) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031746 k( 298) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031746 k( 299) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031746 k( 300) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031746 k( 301) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031746 k( 302) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031746 k( 303) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031746 k( 304) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031746 k( 305) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031746 k( 306) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031746 k( 307) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031746 k( 308) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031746 k( 309) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031746 k( 310) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031746 k( 311) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031746 k( 312) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031746 k( 313) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031746 k( 314) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031746 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031746 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031746 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031746 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031746 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031746 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031746 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031746 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031746 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031746 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031746 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031746 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031746 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031746 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031746 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031746 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031746 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031746 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031746 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031746 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031746 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031746 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031746 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031746 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031746 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031746 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031746 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031746 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031746 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031746 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031746 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031746 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031746 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031746 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031746 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031746 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031746 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031746 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031746 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031746 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031746 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031746 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031746 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031746 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031746 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031746 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031746 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031746 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031746 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031746 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031746 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031746 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031746 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031746 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031746 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031746 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031746 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031746 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031746 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031746 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031746 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031746 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031746 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031746 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031746 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0031746 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031746 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0031746 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031746 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031746 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031746 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031746 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031746 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031746 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031746 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031746 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031746 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031746 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031746 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0031746 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031746 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031746 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031746 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031746 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031746 k( 86) = ( 0.4913793 0.4913793 0.0000000), wk = 0.0031746 k( 87) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0031746 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0031746 k( 89) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0031746 k( 90) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0031746 k( 91) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0031746 k( 92) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0031746 k( 93) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0031746 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0031746 k( 95) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0031746 k( 96) = ( 0.4051724 0.4051724 0.0000000), wk = 0.0031746 k( 97) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0031746 k( 98) = ( 0.3879310 0.3879310 0.0000000), wk = 0.0031746 k( 99) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0031746 k( 100) = ( 0.3706897 0.3706897 0.0000000), wk = 0.0031746 k( 101) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0031746 k( 102) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0031746 k( 103) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0031746 k( 104) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0031746 k( 105) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0031746 k( 106) = ( 0.3189655 0.3189655 0.0000000), wk = 0.0031746 k( 107) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0031746 k( 108) = ( 0.3017241 0.3017241 0.0000000), wk = 0.0031746 k( 109) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0031746 k( 110) = ( 0.2844828 0.2844828 0.0000000), wk = 0.0031746 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0031746 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0031746 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0031746 k( 114) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0031746 k( 115) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0031746 k( 116) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0031746 k( 117) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0031746 k( 118) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0031746 k( 119) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0031746 k( 120) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0031746 k( 121) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0031746 k( 122) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0031746 k( 123) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0031746 k( 124) = ( 0.1637931 0.1637931 0.0000000), wk = 0.0031746 k( 125) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0031746 k( 126) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0031746 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0031746 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0031746 k( 129) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0031746 k( 130) = ( 0.1120690 0.1120690 0.0000000), wk = 0.0031746 k( 131) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0031746 k( 132) = ( 0.0948276 0.0948276 0.0000000), wk = 0.0031746 k( 133) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0031746 k( 134) = ( 0.0775862 0.0775862 0.0000000), wk = 0.0031746 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0031746 k( 136) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0031746 k( 137) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0031746 k( 138) = ( 0.0431035 0.0431035 0.0000000), wk = 0.0031746 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0031746 k( 140) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0031746 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0031746 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 145) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031746 k( 146) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031746 k( 147) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031746 k( 148) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031746 k( 149) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031746 k( 150) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031746 k( 151) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031746 k( 152) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031746 k( 153) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031746 k( 154) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031746 k( 155) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031746 k( 156) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031746 k( 157) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031746 k( 158) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031746 k( 159) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031746 k( 160) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031746 k( 161) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031746 k( 162) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031746 k( 163) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031746 k( 164) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031746 k( 165) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031746 k( 166) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031746 k( 167) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031746 k( 168) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031746 k( 169) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031746 k( 170) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031746 k( 171) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031746 k( 172) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031746 k( 173) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031746 k( 174) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031746 k( 175) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031746 k( 176) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031746 k( 177) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031746 k( 178) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031746 k( 179) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031746 k( 180) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031746 k( 181) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031746 k( 182) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031746 k( 183) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031746 k( 184) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031746 k( 185) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031746 k( 186) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031746 k( 187) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031746 k( 188) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031746 k( 189) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031746 k( 190) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031746 k( 191) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031746 k( 192) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031746 k( 193) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031746 k( 194) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031746 k( 195) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031746 k( 196) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031746 k( 197) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031746 k( 198) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031746 k( 199) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031746 k( 200) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031746 k( 201) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031746 k( 202) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031746 k( 203) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031746 k( 204) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031746 k( 205) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031746 k( 206) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031746 k( 207) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031746 k( 208) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031746 k( 209) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031746 k( 210) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031746 k( 211) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031746 k( 212) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031746 k( 213) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031746 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 216) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031746 k( 217) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031746 k( 218) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031746 k( 219) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031746 k( 220) = ( 0.4568966 0.5000000 0.4568966), wk = 0.0031746 k( 221) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031746 k( 222) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031746 k( 223) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031746 k( 224) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031746 k( 225) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031746 k( 226) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031746 k( 227) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031746 k( 228) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031746 k( 229) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031746 k( 230) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031746 k( 231) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031746 k( 232) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031746 k( 233) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031746 k( 234) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031746 k( 235) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031746 k( 236) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031746 k( 237) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031746 k( 238) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031746 k( 239) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031746 k( 240) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031746 k( 241) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031746 k( 242) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031746 k( 243) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031746 k( 244) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031746 k( 245) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031746 k( 246) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031746 k( 247) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031746 k( 248) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031746 k( 249) = ( 0.2068966 0.5000000 0.2068966), wk = 0.0031746 k( 250) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031746 k( 251) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031746 k( 252) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031746 k( 253) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031746 k( 254) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031746 k( 255) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031746 k( 256) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031746 k( 257) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031746 k( 258) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031746 k( 259) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031746 k( 260) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031746 k( 261) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031746 k( 262) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031746 k( 263) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031746 k( 264) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031746 k( 265) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031746 k( 266) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031746 k( 267) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031746 k( 268) = ( 0.0431035 0.5000000 0.0431035), wk = 0.0031746 k( 269) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031746 k( 270) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031746 k( 271) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031746 k( 272) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031746 k( 273) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031746 k( 274) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031746 k( 275) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031746 k( 276) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031746 k( 277) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031746 k( 278) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031746 k( 279) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031746 k( 280) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031746 k( 281) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031746 k( 282) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031746 k( 283) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031746 k( 284) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031746 k( 285) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031746 k( 286) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031746 k( 287) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031746 k( 288) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031746 k( 289) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031746 k( 290) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031746 k( 291) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031746 k( 292) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031746 k( 293) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031746 k( 294) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031746 k( 295) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031746 k( 296) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031746 k( 297) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031746 k( 298) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031746 k( 299) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031746 k( 300) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031746 k( 301) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031746 k( 302) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031746 k( 303) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031746 k( 304) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031746 k( 305) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031746 k( 306) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031746 k( 307) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031746 k( 308) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031746 k( 309) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031746 k( 310) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031746 k( 311) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031746 k( 312) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031746 k( 313) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031746 k( 314) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031746 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 Dense grid: 60269 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 17845 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 136, 58) NL pseudopotentials 0.16 Mb ( 68, 150) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1676) G-vector shells 0.00 Mb ( 381) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 136, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.27 Mb ( 150, 2, 58) The potential is recalculated from file : ./SnPt3C.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.5 secs Computing kpt #: 11 total cpu time spent up to now is 8.0 secs Computing kpt #: 12 total cpu time spent up to now is 8.4 secs Computing kpt #: 13 total cpu time spent up to now is 8.9 secs Computing kpt #: 14 total cpu time spent up to now is 9.3 secs Computing kpt #: 15 total cpu time spent up to now is 9.8 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.6 secs Computing kpt #: 18 total cpu time spent up to now is 11.0 secs Computing kpt #: 19 total cpu time spent up to now is 11.5 secs Computing kpt #: 20 total cpu time spent up to now is 11.9 secs Computing kpt #: 21 total cpu time spent up to now is 12.3 secs Computing kpt #: 22 total cpu time spent up to now is 12.7 secs Computing kpt #: 23 total cpu time spent up to now is 13.1 secs Computing kpt #: 24 total cpu time spent up to now is 13.5 secs Computing kpt #: 25 total cpu time spent up to now is 14.0 secs Computing kpt #: 26 total cpu time spent up to now is 14.4 secs Computing kpt #: 27 total cpu time spent up to now is 14.8 secs Computing kpt #: 28 total cpu time spent up to now is 15.3 secs Computing kpt #: 29 total cpu time spent up to now is 15.7 secs Computing kpt #: 30 total cpu time spent up to now is 16.1 secs Computing kpt #: 31 total cpu time spent up to now is 16.6 secs Computing kpt #: 32 total cpu time spent up to now is 17.0 secs Computing kpt #: 33 total cpu time spent up to now is 17.5 secs Computing kpt #: 34 total cpu time spent up to now is 17.9 secs Computing kpt #: 35 total cpu time spent up to now is 18.3 secs Computing kpt #: 36 total cpu time spent up to now is 18.8 secs Computing kpt #: 37 total cpu time spent up to now is 19.2 secs Computing kpt #: 38 total cpu time spent up to now is 19.6 secs Computing kpt #: 39 total cpu time spent up to now is 20.1 secs Computing kpt #: 40 total cpu time spent up to now is 20.5 secs Computing kpt #: 41 total cpu time spent up to now is 20.9 secs Computing kpt #: 42 total cpu time spent up to now is 21.3 secs Computing kpt #: 43 total cpu time spent up to now is 21.7 secs Computing kpt #: 44 total cpu time spent up to now is 22.0 secs Computing kpt #: 45 total cpu time spent up to now is 22.5 secs Computing kpt #: 46 total cpu time spent up to now is 22.9 secs Computing kpt #: 47 total cpu time spent up to now is 23.3 secs Computing kpt #: 48 total cpu time spent up to now is 23.7 secs Computing kpt #: 49 total cpu time spent up to now is 24.2 secs Computing kpt #: 50 total cpu time spent up to now is 24.6 secs Computing kpt #: 51 total cpu time spent up to now is 25.0 secs Computing kpt #: 52 total cpu time spent up to now is 25.4 secs Computing kpt #: 53 total cpu time spent up to now is 25.9 secs Computing kpt #: 54 total cpu time spent up to now is 26.3 secs Computing kpt #: 55 total cpu time spent up to now is 26.7 secs Computing kpt #: 56 total cpu time spent up to now is 27.1 secs Computing kpt #: 57 total cpu time spent up to now is 27.6 secs Computing kpt #: 58 total cpu time spent up to now is 28.0 secs Computing kpt #: 59 total cpu time spent up to now is 28.4 secs Computing kpt #: 60 total cpu time spent up to now is 28.8 secs Computing kpt #: 61 total cpu time spent up to now is 29.3 secs Computing kpt #: 62 total cpu time spent up to now is 29.7 secs Computing kpt #: 63 total cpu time spent up to now is 30.1 secs Computing kpt #: 64 total cpu time spent up to now is 30.6 secs Computing kpt #: 65 total cpu time spent up to now is 31.0 secs Computing kpt #: 66 total cpu time spent up to now is 31.4 secs Computing kpt #: 67 total cpu time spent up to now is 31.9 secs Computing kpt #: 68 total cpu time spent up to now is 32.3 secs Computing kpt #: 69 total cpu time spent up to now is 32.8 secs Computing kpt #: 70 total cpu time spent up to now is 33.2 secs Computing kpt #: 71 total cpu time spent up to now is 33.7 secs Computing kpt #: 72 total cpu time spent up to now is 34.1 secs Computing kpt #: 73 total cpu time spent up to now is 34.6 secs Computing kpt #: 74 total cpu time spent up to now is 35.1 secs Computing kpt #: 75 total cpu time spent up to now is 35.6 secs Computing kpt #: 76 total cpu time spent up to now is 36.1 secs Computing kpt #: 77 total cpu time spent up to now is 36.7 secs Computing kpt #: 78 total cpu time spent up to now is 37.2 secs Computing kpt #: 79 total cpu time spent up to now is 37.8 secs Computing kpt #: 80 total cpu time spent up to now is 38.3 secs Computing kpt #: 81 total cpu time spent up to now is 38.7 secs Computing kpt #: 82 total cpu time spent up to now is 39.1 secs Computing kpt #: 83 total cpu time spent up to now is 39.6 secs Computing kpt #: 84 total cpu time spent up to now is 40.0 secs Computing kpt #: 85 total cpu time spent up to now is 40.5 secs Computing kpt #: 86 total cpu time spent up to now is 40.9 secs Computing kpt #: 87 total cpu time spent up to now is 41.3 secs Computing kpt #: 88 total cpu time spent up to now is 41.8 secs Computing kpt #: 89 total cpu time spent up to now is 42.3 secs Computing kpt #: 90 total cpu time spent up to now is 42.8 secs Computing kpt #: 91 total cpu time spent up to now is 43.3 secs Computing kpt #: 92 total cpu time spent up to now is 43.9 secs Computing kpt #: 93 total cpu time spent up to now is 44.4 secs Computing kpt #: 94 total cpu time spent up to now is 44.9 secs Computing kpt #: 95 total cpu time spent up to now is 45.4 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 46.4 secs Computing kpt #: 98 total cpu time spent up to now is 46.8 secs Computing kpt #: 99 total cpu time spent up to now is 47.2 secs Computing kpt #: 100 total cpu time spent up to now is 47.7 secs Computing kpt #: 101 total cpu time spent up to now is 48.1 secs Computing kpt #: 102 total cpu time spent up to now is 48.6 secs Computing kpt #: 103 total cpu time spent up to now is 49.0 secs Computing kpt #: 104 total cpu time spent up to now is 49.5 secs Computing kpt #: 105 total cpu time spent up to now is 49.9 secs Computing kpt #: 106 total cpu time spent up to now is 50.3 secs Computing kpt #: 107 total cpu time spent up to now is 50.8 secs Computing kpt #: 108 total cpu time spent up to now is 51.2 secs Computing kpt #: 109 total cpu time spent up to now is 51.6 secs Computing kpt #: 110 total cpu time spent up to now is 52.1 secs Computing kpt #: 111 total cpu time spent up to now is 52.5 secs Computing kpt #: 112 total cpu time spent up to now is 53.0 secs Computing kpt #: 113 total cpu time spent up to now is 53.4 secs Computing kpt #: 114 total cpu time spent up to now is 53.9 secs Computing kpt #: 115 total cpu time spent up to now is 54.4 secs Computing kpt #: 116 total cpu time spent up to now is 54.8 secs Computing kpt #: 117 total cpu time spent up to now is 55.3 secs Computing kpt #: 118 total cpu time spent up to now is 55.8 secs Computing kpt #: 119 total cpu time spent up to now is 56.3 secs Computing kpt #: 120 total cpu time spent up to now is 56.8 secs Computing kpt #: 121 total cpu time spent up to now is 57.2 secs Computing kpt #: 122 total cpu time spent up to now is 57.7 secs Computing kpt #: 123 total cpu time spent up to now is 58.2 secs Computing kpt #: 124 total cpu time spent up to now is 58.7 secs Computing kpt #: 125 total cpu time spent up to now is 59.2 secs Computing kpt #: 126 total cpu time spent up to now is 59.7 secs Computing kpt #: 127 total cpu time spent up to now is 60.2 secs Computing kpt #: 128 total cpu time spent up to now is 60.7 secs Computing kpt #: 129 total cpu time spent up to now is 61.2 secs Computing kpt #: 130 total cpu time spent up to now is 61.7 secs Computing kpt #: 131 total cpu time spent up to now is 62.2 secs Computing kpt #: 132 total cpu time spent up to now is 62.6 secs Computing kpt #: 133 total cpu time spent up to now is 63.1 secs Computing kpt #: 134 total cpu time spent up to now is 63.6 secs Computing kpt #: 135 total cpu time spent up to now is 64.1 secs Computing kpt #: 136 total cpu time spent up to now is 64.6 secs Computing kpt #: 137 total cpu time spent up to now is 65.1 secs Computing kpt #: 138 total cpu time spent up to now is 65.6 secs Computing kpt #: 139 total cpu time spent up to now is 66.1 secs Computing kpt #: 140 total cpu time spent up to now is 66.6 secs Computing kpt #: 141 total cpu time spent up to now is 67.1 secs Computing kpt #: 142 total cpu time spent up to now is 68.3 secs Computing kpt #: 143 total cpu time spent up to now is 68.6 secs Computing kpt #: 144 total cpu time spent up to now is 69.0 secs Computing kpt #: 145 total cpu time spent up to now is 69.3 secs Computing kpt #: 146 total cpu time spent up to now is 69.7 secs Computing kpt #: 147 total cpu time spent up to now is 70.0 secs Computing kpt #: 148 total cpu time spent up to now is 70.4 secs Computing kpt #: 149 total cpu time spent up to now is 70.8 secs Computing kpt #: 150 total cpu time spent up to now is 71.2 secs Computing kpt #: 151 total cpu time spent up to now is 71.5 secs Computing kpt #: 152 total cpu time spent up to now is 72.0 secs Computing kpt #: 153 total cpu time spent up to now is 72.7 secs Computing kpt #: 154 total cpu time spent up to now is 73.4 secs Computing kpt #: 155 total cpu time spent up to now is 74.1 secs Computing kpt #: 156 total cpu time spent up to now is 74.8 secs Computing kpt #: 157 total cpu time spent up to now is 75.7 secs Computing kpt #: 158 total cpu time spent up to now is 76.4 secs Computing kpt #: 159 total cpu time spent up to now is 77.1 secs Computing kpt #: 160 total cpu time spent up to now is 77.8 secs Computing kpt #: 161 total cpu time spent up to now is 78.5 secs Computing kpt #: 162 total cpu time spent up to now is 79.2 secs Computing kpt #: 163 total cpu time spent up to now is 79.8 secs Computing kpt #: 164 total cpu time spent up to now is 80.5 secs Computing kpt #: 165 total cpu time spent up to now is 81.2 secs Computing kpt #: 166 total cpu time spent up to now is 81.8 secs Computing kpt #: 167 total cpu time spent up to now is 82.3 secs Computing kpt #: 168 total cpu time spent up to now is 82.8 secs Computing kpt #: 169 total cpu time spent up to now is 83.4 secs Computing kpt #: 170 total cpu time spent up to now is 83.9 secs Computing kpt #: 171 total cpu time spent up to now is 84.5 secs Computing kpt #: 172 total cpu time spent up to now is 85.0 secs Computing kpt #: 173 total cpu time spent up to now is 85.5 secs Computing kpt #: 174 total cpu time spent up to now is 86.0 secs Computing kpt #: 175 total cpu time spent up to now is 86.6 secs Computing kpt #: 176 total cpu time spent up to now is 87.1 secs Computing kpt #: 177 total cpu time spent up to now is 87.7 secs Computing kpt #: 178 total cpu time spent up to now is 88.3 secs Computing kpt #: 179 total cpu time spent up to now is 89.0 secs Computing kpt #: 180 total cpu time spent up to now is 89.5 secs Computing kpt #: 181 total cpu time spent up to now is 90.2 secs Computing kpt #: 182 total cpu time spent up to now is 90.9 secs Computing kpt #: 183 total cpu time spent up to now is 91.6 secs Computing kpt #: 184 total cpu time spent up to now is 92.3 secs Computing kpt #: 185 total cpu time spent up to now is 93.1 secs Computing kpt #: 186 total cpu time spent up to now is 94.0 secs Computing kpt #: 187 total cpu time spent up to now is 94.7 secs Computing kpt #: 188 total cpu time spent up to now is 95.3 secs Computing kpt #: 189 total cpu time spent up to now is 95.9 secs Computing kpt #: 190 total cpu time spent up to now is 96.5 secs Computing kpt #: 191 total cpu time spent up to now is 97.0 secs Computing kpt #: 192 total cpu time spent up to now is 97.5 secs Computing kpt #: 193 total cpu time spent up to now is 98.0 secs Computing kpt #: 194 total cpu time spent up to now is 98.6 secs Computing kpt #: 195 total cpu time spent up to now is 99.1 secs Computing kpt #: 196 total cpu time spent up to now is 99.6 secs Computing kpt #: 197 total cpu time spent up to now is 100.1 secs Computing kpt #: 198 total cpu time spent up to now is 100.6 secs Computing kpt #: 199 total cpu time spent up to now is 101.1 secs Computing kpt #: 200 total cpu time spent up to now is 101.6 secs Computing kpt #: 201 total cpu time spent up to now is 102.1 secs Computing kpt #: 202 total cpu time spent up to now is 102.5 secs Computing kpt #: 203 total cpu time spent up to now is 103.0 secs Computing kpt #: 204 total cpu time spent up to now is 103.5 secs Computing kpt #: 205 total cpu time spent up to now is 104.0 secs Computing kpt #: 206 total cpu time spent up to now is 104.5 secs Computing kpt #: 207 total cpu time spent up to now is 105.0 secs Computing kpt #: 208 total cpu time spent up to now is 105.5 secs Computing kpt #: 209 total cpu time spent up to now is 106.0 secs Computing kpt #: 210 total cpu time spent up to now is 106.4 secs Computing kpt #: 211 total cpu time spent up to now is 106.9 secs Computing kpt #: 212 total cpu time spent up to now is 107.4 secs Computing kpt #: 213 total cpu time spent up to now is 107.9 secs Computing kpt #: 214 total cpu time spent up to now is 108.4 secs Computing kpt #: 215 total cpu time spent up to now is 108.9 secs Computing kpt #: 216 total cpu time spent up to now is 109.4 secs Computing kpt #: 217 total cpu time spent up to now is 109.9 secs Computing kpt #: 218 total cpu time spent up to now is 110.3 secs Computing kpt #: 219 total cpu time spent up to now is 110.8 secs Computing kpt #: 220 total cpu time spent up to now is 111.3 secs Computing kpt #: 221 total cpu time spent up to now is 111.8 secs Computing kpt #: 222 total cpu time spent up to now is 112.3 secs Computing kpt #: 223 total cpu time spent up to now is 112.8 secs Computing kpt #: 224 total cpu time spent up to now is 113.3 secs Computing kpt #: 225 total cpu time spent up to now is 113.8 secs Computing kpt #: 226 total cpu time spent up to now is 114.2 secs Computing kpt #: 227 total cpu time spent up to now is 114.9 secs Computing kpt #: 228 total cpu time spent up to now is 115.4 secs Computing kpt #: 229 total cpu time spent up to now is 115.8 secs Computing kpt #: 230 total cpu time spent up to now is 116.3 secs Computing kpt #: 231 total cpu time spent up to now is 116.8 secs Computing kpt #: 232 total cpu time spent up to now is 117.3 secs Computing kpt #: 233 total cpu time spent up to now is 117.8 secs Computing kpt #: 234 total cpu time spent up to now is 118.3 secs Computing kpt #: 235 total cpu time spent up to now is 118.8 secs Computing kpt #: 236 total cpu time spent up to now is 119.3 secs Computing kpt #: 237 total cpu time spent up to now is 119.8 secs Computing kpt #: 238 total cpu time spent up to now is 120.4 secs Computing kpt #: 239 total cpu time spent up to now is 120.9 secs Computing kpt #: 240 total cpu time spent up to now is 121.6 secs Computing kpt #: 241 total cpu time spent up to now is 122.2 secs Computing kpt #: 242 total cpu time spent up to now is 122.8 secs Computing kpt #: 243 total cpu time spent up to now is 123.3 secs Computing kpt #: 244 total cpu time spent up to now is 123.9 secs Computing kpt #: 245 total cpu time spent up to now is 124.4 secs Computing kpt #: 246 total cpu time spent up to now is 124.9 secs Computing kpt #: 247 total cpu time spent up to now is 125.5 secs Computing kpt #: 248 total cpu time spent up to now is 126.0 secs Computing kpt #: 249 total cpu time spent up to now is 126.5 secs Computing kpt #: 250 total cpu time spent up to now is 127.0 secs Computing kpt #: 251 total cpu time spent up to now is 127.6 secs Computing kpt #: 252 total cpu time spent up to now is 128.1 secs Computing kpt #: 253 total cpu time spent up to now is 128.6 secs Computing kpt #: 254 total cpu time spent up to now is 129.2 secs Computing kpt #: 255 total cpu time spent up to now is 129.7 secs Computing kpt #: 256 total cpu time spent up to now is 130.2 secs Computing kpt #: 257 total cpu time spent up to now is 130.7 secs Computing kpt #: 258 total cpu time spent up to now is 131.2 secs Computing kpt #: 259 total cpu time spent up to now is 131.7 secs Computing kpt #: 260 total cpu time spent up to now is 132.2 secs Computing kpt #: 261 total cpu time spent up to now is 132.7 secs Computing kpt #: 262 total cpu time spent up to now is 133.2 secs Computing kpt #: 263 total cpu time spent up to now is 133.6 secs Computing kpt #: 264 total cpu time spent up to now is 134.0 secs Computing kpt #: 265 total cpu time spent up to now is 134.4 secs Computing kpt #: 266 total cpu time spent up to now is 134.9 secs Computing kpt #: 267 total cpu time spent up to now is 135.3 secs Computing kpt #: 268 total cpu time spent up to now is 135.7 secs Computing kpt #: 269 total cpu time spent up to now is 136.1 secs Computing kpt #: 270 total cpu time spent up to now is 136.5 secs Computing kpt #: 271 total cpu time spent up to now is 136.9 secs Computing kpt #: 272 total cpu time spent up to now is 137.3 secs Computing kpt #: 273 total cpu time spent up to now is 137.7 secs Computing kpt #: 274 total cpu time spent up to now is 138.2 secs Computing kpt #: 275 total cpu time spent up to now is 138.6 secs Computing kpt #: 276 total cpu time spent up to now is 139.1 secs Computing kpt #: 277 total cpu time spent up to now is 139.5 secs Computing kpt #: 278 total cpu time spent up to now is 140.0 secs Computing kpt #: 279 total cpu time spent up to now is 140.4 secs Computing kpt #: 280 total cpu time spent up to now is 140.9 secs Computing kpt #: 281 total cpu time spent up to now is 141.3 secs Computing kpt #: 282 total cpu time spent up to now is 141.7 secs Computing kpt #: 283 total cpu time spent up to now is 142.2 secs Computing kpt #: 284 total cpu time spent up to now is 142.6 secs Computing kpt #: 285 total cpu time spent up to now is 143.0 secs Computing kpt #: 286 total cpu time spent up to now is 143.5 secs Computing kpt #: 287 total cpu time spent up to now is 143.9 secs Computing kpt #: 288 total cpu time spent up to now is 144.3 secs Computing kpt #: 289 total cpu time spent up to now is 144.7 secs Computing kpt #: 290 total cpu time spent up to now is 145.2 secs Computing kpt #: 291 total cpu time spent up to now is 145.6 secs Computing kpt #: 292 total cpu time spent up to now is 146.1 secs Computing kpt #: 293 total cpu time spent up to now is 146.5 secs Computing kpt #: 294 total cpu time spent up to now is 146.9 secs Computing kpt #: 295 total cpu time spent up to now is 147.3 secs Computing kpt #: 296 total cpu time spent up to now is 147.7 secs Computing kpt #: 297 total cpu time spent up to now is 148.1 secs Computing kpt #: 298 total cpu time spent up to now is 148.5 secs Computing kpt #: 299 total cpu time spent up to now is 149.0 secs Computing kpt #: 300 total cpu time spent up to now is 149.4 secs Computing kpt #: 301 total cpu time spent up to now is 150.1 secs Computing kpt #: 302 total cpu time spent up to now is 150.6 secs Computing kpt #: 303 total cpu time spent up to now is 151.0 secs Computing kpt #: 304 total cpu time spent up to now is 151.5 secs Computing kpt #: 305 total cpu time spent up to now is 152.0 secs Computing kpt #: 306 total cpu time spent up to now is 152.5 secs Computing kpt #: 307 total cpu time spent up to now is 153.0 secs Computing kpt #: 308 total cpu time spent up to now is 153.5 secs Computing kpt #: 309 total cpu time spent up to now is 154.0 secs Computing kpt #: 310 total cpu time spent up to now is 154.5 secs Computing kpt #: 311 total cpu time spent up to now is 155.0 secs Computing kpt #: 312 total cpu time spent up to now is 155.5 secs Computing kpt #: 313 total cpu time spent up to now is 155.9 secs Computing kpt #: 314 total cpu time spent up to now is 156.4 secs Computing kpt #: 315 total cpu time spent up to now is 156.9 secs ethr = 2.08E-08, avg # of iterations = 25.4 total cpu time spent up to now is 156.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): -0.6695 -0.6695 -0.6695 -0.6695 0.3398 0.3398 0.3398 0.3398 0.3487 0.3487 4.4359 4.4359 9.3938 9.3938 14.2368 14.2368 14.2368 14.2368 14.2876 14.2876 15.0226 15.0226 15.0226 15.0226 16.6085 16.6085 16.6085 16.6085 17.4649 17.4649 18.3018 18.3018 18.3018 18.3018 18.8495 18.8495 19.0667 19.0667 19.0667 19.0667 20.9906 20.9906 21.3963 21.3963 21.6113 21.6113 21.7020 21.7020 21.7020 21.7020 22.6356 22.6356 22.6356 22.6356 25.2093 25.2093 27.8438 27.8438 k = 0.0000 0.0122-0.0000 ( 2205 PWs) bands (ev): -0.6695 -0.6695 -0.6695 -0.6695 0.3398 0.3398 0.3399 0.3399 0.3487 0.3487 4.4374 4.4374 9.3953 9.3953 14.2370 14.2370 14.2371 14.2371 14.2878 14.2878 15.0207 15.0207 15.0242 15.0242 16.6004 16.6004 16.6058 16.6058 17.4568 17.4568 18.3008 18.3008 18.3016 18.3016 18.8493 18.8493 19.0669 19.0669 19.0701 19.0701 20.9916 20.9916 21.3940 21.3940 21.6159 21.6159 21.7015 21.7015 21.7023 21.7023 22.6362 22.6362 22.6398 22.6398 25.2175 25.2175 27.8430 27.8430 k = 0.0000 0.0244-0.0000 ( 2217 PWs) bands (ev): -0.6694 -0.6694 -0.6693 -0.6693 0.3399 0.3399 0.3401 0.3401 0.3488 0.3488 4.4419 4.4419 9.3998 9.3998 14.2376 14.2376 14.2380 14.2380 14.2884 14.2884 15.0148 15.0148 15.0289 15.0289 16.5763 16.5763 16.5979 16.5979 17.4330 17.4330 18.2975 18.2975 18.3008 18.3008 18.8489 18.8489 19.0675 19.0675 19.0795 19.0795 20.9945 20.9945 21.3871 21.3871 21.6297 21.6297 21.6999 21.6999 21.7033 21.7033 22.6383 22.6383 22.6523 22.6523 25.2417 25.2417 27.8404 27.8404 k = 0.0000 0.0366-0.0000 ( 2225 PWs) bands (ev): -0.6693 -0.6693 -0.6690 -0.6690 0.3401 0.3401 0.3406 0.3406 0.3490 0.3490 4.4494 4.4494 9.4074 9.4074 14.2385 14.2385 14.2395 14.2395 14.2894 14.2894 15.0050 15.0050 15.0367 15.0367 16.5365 16.5365 16.5848 16.5848 17.3956 17.3956 18.2918 18.2918 18.2994 18.2994 18.8481 18.8481 19.0686 19.0686 19.0932 19.0932 20.9994 20.9994 21.3757 21.3757 21.6519 21.6519 21.6981 21.6981 21.7048 21.7048 22.6426 22.6426 22.6729 22.6729 25.2807 25.2807 27.8362 27.8362 k = 0.0000 0.0488-0.0000 ( 2233 PWs) bands (ev): -0.6691 -0.6691 -0.6686 -0.6686 0.3403 0.3403 0.3412 0.3412 0.3492 0.3492 4.4598 4.4598 9.4179 9.4179 14.2400 14.2400 14.2416 14.2416 14.2908 14.2908 14.9909 14.9909 15.0476 15.0476 16.4817 16.4817 16.5667 16.5667 17.3471 17.3471 18.2835 18.2835 18.2973 18.2973 18.8467 18.8467 19.0703 19.0703 19.1085 19.1085 21.0064 21.0064 21.3598 21.3598 21.6770 21.6770 21.7015 21.7015 21.7071 21.7071 22.6502 22.6502 22.7016 22.7016 25.3327 25.3327 27.8303 27.8303 k = 0.0000 0.0610-0.0000 ( 2221 PWs) bands (ev): -0.6689 -0.6689 -0.6681 -0.6681 0.3406 0.3406 0.3419 0.3419 0.3494 0.3494 4.4733 4.4733 9.4314 9.4314 14.2418 14.2418 14.2443 14.2443 14.2928 14.2928 14.9723 14.9723 15.0616 15.0616 16.4130 16.4130 16.5439 16.5439 17.2902 17.2902 18.2722 18.2722 18.2947 18.2947 18.8446 18.8446 19.0726 19.0726 19.1229 19.1229 21.0154 21.0154 21.3396 21.3396 21.6824 21.6824 21.7101 21.7101 21.7324 21.7324 22.6622 22.6622 22.7380 22.7380 25.3957 25.3957 27.8228 27.8228 k = 0.0000 0.0732-0.0000 ( 2213 PWs) bands (ev): -0.6686 -0.6686 -0.6674 -0.6674 0.3409 0.3409 0.3428 0.3428 0.3498 0.3498 4.4897 4.4897 9.4479 9.4479 14.2440 14.2440 14.2476 14.2476 14.2952 14.2952 14.9487 14.9487 15.0787 15.0787 16.3319 16.3319 16.5167 16.5167 17.2273 17.2273 18.2575 18.2575 18.2913 18.2913 18.8416 18.8416 19.0756 19.0756 19.1340 19.1340 21.0266 21.0266 21.3151 21.3151 21.6787 21.6787 21.7140 21.7140 21.7803 21.7803 22.6798 22.6798 22.7819 22.7819 25.4670 25.4670 27.8137 27.8137 k = 0.0000 0.0854-0.0000 ( 2213 PWs) bands (ev): -0.6682 -0.6682 -0.6667 -0.6667 0.3413 0.3413 0.3439 0.3439 0.3501 0.3501 4.5090 4.5090 9.4673 9.4673 14.2465 14.2465 14.2514 14.2514 14.2980 14.2980 14.9196 14.9196 15.0988 15.0988 16.2401 16.2401 16.4854 16.4854 17.1604 17.1604 18.2392 18.2392 18.2872 18.2872 18.8375 18.8375 19.0795 19.0795 19.1399 19.1399 21.0397 21.0397 21.2864 21.2864 21.6738 21.6738 21.7188 21.7188 21.8371 21.8371 22.7038 22.7038 22.8330 22.8330 25.5443 25.5443 27.8031 27.8031 k = 0.0000 0.0976-0.0000 ( 2213 PWs) bands (ev): -0.6679 -0.6679 -0.6658 -0.6658 0.3417 0.3417 0.3451 0.3451 0.3506 0.3506 4.5311 4.5311 9.4895 9.4895 14.2494 14.2494 14.2557 14.2557 14.3014 14.3014 14.8843 14.8843 15.1219 15.1219 16.1400 16.1400 16.4504 16.4504 17.0909 17.0909 18.2170 18.2170 18.2823 18.2823 18.8322 18.8322 19.0841 19.0841 19.1396 19.1396 21.0547 21.0547 21.2538 21.2538 21.6690 21.6690 21.7245 21.7245 21.9014 21.9014 22.7347 22.7347 22.8910 22.8910 25.6250 25.6250 27.7909 27.7909 k = 0.0000 0.1098-0.0000 ( 2212 PWs) bands (ev): -0.6674 -0.6674 -0.6649 -0.6649 0.3422 0.3422 0.3464 0.3464 0.3511 0.3511 4.5560 4.5560 9.5146 9.5146 14.2525 14.2525 14.2604 14.2604 14.3053 14.3053 14.8422 14.8422 15.1479 15.1479 16.0339 16.0339 16.4122 16.4122 17.0197 17.0197 18.1904 18.1904 18.2766 18.2766 18.8255 18.8255 19.0894 19.0894 19.1328 19.1328 21.0713 21.0713 21.2171 21.2171 21.6648 21.6648 21.7312 21.7312 21.9721 21.9721 22.7726 22.7726 22.9555 22.9555 25.7071 25.7071 27.7773 27.7773 k = 0.0000 0.1220-0.0000 ( 2212 PWs) bands (ev): -0.6670 -0.6670 -0.6639 -0.6639 0.3427 0.3427 0.3479 0.3479 0.3516 0.3516 4.5836 4.5836 9.5425 9.5425 14.2557 14.2557 14.2657 14.2657 14.3098 14.3098 14.7923 14.7923 15.1768 15.1768 15.9243 15.9243 16.3710 16.3710 16.9474 16.9474 18.1596 18.1596 18.2701 18.2701 18.8176 18.8176 19.0954 19.0954 19.1195 19.1195 21.0892 21.0892 21.1767 21.1767 21.6616 21.6616 21.7390 21.7390 22.0484 22.0484 22.8175 22.8175 23.0262 23.0262 25.7888 25.7888 27.7623 27.7623 k = 0.0000 0.1341-0.0000 ( 2212 PWs) bands (ev): -0.6664 -0.6664 -0.6627 -0.6627 0.3433 0.3433 0.3495 0.3495 0.3522 0.3522 4.6139 4.6139 9.5731 9.5731 14.2588 14.2588 14.2713 14.2713 14.3148 14.3148 14.7339 14.7339 15.2086 15.2086 15.8137 15.8137 16.3272 16.3272 16.8744 16.8744 18.1242 18.1242 18.2628 18.2628 18.8083 18.8083 19.1004 19.1004 19.1019 19.1019 21.1083 21.1083 21.1324 21.1324 21.6597 21.6597 21.7479 21.7479 22.1293 22.1293 22.8690 22.8690 23.1030 23.1030 25.8684 25.8684 27.7459 27.7459 k = 0.0000 0.1463-0.0000 ( 2216 PWs) bands (ev): -0.6659 -0.6659 -0.6615 -0.6615 0.3439 0.3439 0.3512 0.3512 0.3528 0.3528 4.6468 4.6468 9.6064 9.6064 14.2615 14.2615 14.2774 14.2774 14.3204 14.3204 14.6667 14.6667 15.2430 15.2430 15.7042 15.7042 16.2814 16.2814 16.8010 16.8010 18.0846 18.0846 18.2547 18.2547 18.7978 18.7978 19.0765 19.0765 19.1088 19.1088 21.0846 21.0846 21.1282 21.1282 21.6592 21.6592 21.7578 21.7578 22.2136 22.2136 22.9270 22.9270 23.1853 23.1853 25.9451 25.9451 27.7283 27.7283 k = 0.0000 0.1585-0.0000 ( 2216 PWs) bands (ev): -0.6653 -0.6653 -0.6603 -0.6603 0.3445 0.3445 0.3530 0.3530 0.3535 0.3535 4.6821 4.6821 9.6422 9.6422 14.2630 14.2630 14.2838 14.2838 14.3266 14.3266 14.5908 14.5908 15.2801 15.2801 15.5976 15.5976 16.2339 16.2339 16.7274 16.7274 18.0408 18.0408 18.2458 18.2458 18.7862 18.7862 19.0489 19.0489 19.1158 19.1158 21.0332 21.0332 21.1485 21.1485 21.6602 21.6602 21.7688 21.7688 22.3001 22.3001 22.9911 22.9911 23.2731 23.2731 26.0182 26.0182 27.7096 27.7096 k = 0.0000 0.1707-0.0000 ( 2224 PWs) bands (ev): -0.6647 -0.6647 -0.6589 -0.6589 0.3452 0.3452 0.3542 0.3542 0.3550 0.3550 4.7199 4.7199 9.6804 9.6804 14.2610 14.2610 14.2907 14.2907 14.3334 14.3334 14.5081 14.5081 15.3196 15.3196 15.4953 15.4953 16.1850 16.1850 16.6538 16.6538 17.9934 17.9934 18.2362 18.2362 18.7737 18.7737 19.0185 19.0185 19.1229 19.1229 20.9784 20.9784 21.1691 21.1691 21.6628 21.6628 21.7808 21.7808 22.3873 22.3873 23.0610 23.0610 23.3659 23.3659 26.0874 26.0874 27.6898 27.6898 k = 0.0000 0.1829-0.0000 ( 2224 PWs) bands (ev): -0.6641 -0.6641 -0.6575 -0.6575 0.3459 0.3459 0.3549 0.3549 0.3570 0.3570 4.7599 4.7599 9.7210 9.7210 14.2489 14.2489 14.2979 14.2979 14.3408 14.3408 14.4258 14.4258 15.3614 15.3614 15.3977 15.3977 16.1352 16.1352 16.5802 16.5802 17.9428 17.9428 18.2259 18.2259 18.7602 18.7602 18.9864 18.9864 19.1297 19.1297 20.9203 20.9203 21.1895 21.1895 21.6670 21.6670 21.7938 21.7938 22.4737 22.4737 23.1369 23.1369 23.4635 23.4635 26.1527 26.1527 27.6691 27.6691 k = 0.0000 0.1951-0.0000 ( 2228 PWs) bands (ev): -0.6634 -0.6634 -0.6561 -0.6561 0.3466 0.3466 0.3557 0.3557 0.3590 0.3590 4.8021 4.8021 9.7639 9.7639 14.2074 14.2074 14.3055 14.3055 14.3486 14.3486 14.3641 14.3641 15.3049 15.3049 15.4052 15.4052 16.0850 16.0850 16.5070 16.5070 17.8896 17.8896 18.2151 18.2151 18.7461 18.7461 18.9534 18.9534 19.1362 19.1362 20.8592 20.8592 21.2096 21.2096 21.6727 21.6727 21.8077 21.8077 22.5580 22.5580 23.2187 23.2187 23.5656 23.5656 26.2144 26.2144 27.6476 27.6476 k = 0.0000 0.2073-0.0000 ( 2228 PWs) bands (ev): -0.6628 -0.6628 -0.6546 -0.6546 0.3473 0.3473 0.3565 0.3565 0.3612 0.3612 4.8463 4.8463 9.8088 9.8088 14.1224 14.1224 14.3135 14.3135 14.3382 14.3382 14.3570 14.3570 15.2164 15.2164 15.4507 15.4507 16.0349 16.0349 16.4341 16.4341 17.8347 17.8347 18.2037 18.2037 18.7314 18.7314 18.9203 18.9203 19.1421 19.1421 20.7951 20.7951 21.2292 21.2292 21.6799 21.6799 21.8224 21.8224 22.6384 22.6384 23.3068 23.3068 23.6719 23.6719 26.2726 26.2726 27.6254 27.6254 k = 0.0000 0.2195-0.0000 ( 2236 PWs) bands (ev): -0.6621 -0.6621 -0.6531 -0.6531 0.3480 0.3480 0.3573 0.3573 0.3633 0.3633 4.8924 4.8924 9.8556 9.8556 14.0124 14.0124 14.3220 14.3220 14.3311 14.3311 14.3657 14.3657 15.1315 15.1315 15.4971 15.4971 15.9857 15.9857 16.3617 16.3617 17.7787 17.7787 18.1919 18.1919 18.7163 18.7163 18.8875 18.8875 19.1475 19.1475 20.7283 20.7283 21.2480 21.2480 21.6885 21.6885 21.8379 21.8379 22.7138 22.7138 23.4013 23.4013 23.7821 23.7821 26.3279 26.3279 27.6026 27.6026 k = 0.0000 0.2317-0.0000 ( 2244 PWs) bands (ev): -0.6614 -0.6614 -0.6515 -0.6515 0.3488 0.3488 0.3581 0.3581 0.3656 0.3656 4.9401 4.9401 9.9040 9.9040 13.8917 13.8917 14.3298 14.3298 14.3310 14.3310 14.3749 14.3749 15.0497 15.0497 15.5433 15.5433 15.9387 15.9387 16.2901 16.2901 17.7224 17.7224 18.1797 18.1797 18.7009 18.7009 18.8554 18.8554 19.1520 19.1520 20.6591 20.6591 21.2658 21.2658 21.6985 21.6985 21.8540 21.8540 22.7831 22.7831 23.5023 23.5023 23.8959 23.8959 26.3805 26.3805 27.5795 27.5795 k = 0.0000 0.2439-0.0000 ( 2252 PWs) bands (ev): -0.6607 -0.6607 -0.6500 -0.6500 0.3496 0.3496 0.3590 0.3590 0.3678 0.3678 4.9894 4.9894 9.9539 9.9539 13.7664 13.7664 14.3295 14.3295 14.3405 14.3405 14.3843 14.3843 14.9707 14.9707 15.5868 15.5868 15.8965 15.8965 16.2192 16.2192 17.6667 17.6667 18.1674 18.1674 18.6852 18.6852 18.8243 18.8243 19.1556 19.1556 20.5878 20.5878 21.2825 21.2825 21.7097 21.7097 21.8706 21.8706 22.8457 22.8457 23.6095 23.6095 24.0130 24.0130 26.4307 26.4307 27.5561 27.5561 k = 0.0000 0.2561-0.0000 ( 2252 PWs) bands (ev): -0.6600 -0.6600 -0.6484 -0.6484 0.3503 0.3503 0.3598 0.3598 0.3700 0.3700 5.0399 5.0399 10.0050 10.0050 13.6394 13.6394 14.3276 14.3276 14.3505 14.3505 14.3940 14.3940 14.8949 14.8949 15.6220 15.6220 15.8647 15.8647 16.1492 16.1492 17.6121 17.6121 18.1550 18.1550 18.6696 18.6696 18.7945 18.7945 19.1582 19.1582 20.5146 20.5146 21.2980 21.2980 21.7221 21.7221 21.8877 21.8877 22.9014 22.9014 23.7225 23.7225 24.1330 24.1330 26.4789 26.4789 27.5326 27.5326 k = 0.0000 0.2683-0.0000 ( 2244 PWs) bands (ev): -0.6593 -0.6593 -0.6469 -0.6469 0.3511 0.3511 0.3607 0.3607 0.3723 0.3723 5.0916 5.0916 10.0569 10.0569 13.5129 13.5129 14.3216 14.3216 14.3611 14.3611 14.4039 14.4039 14.8235 14.8235 15.6383 15.6383 15.8540 15.8540 16.0803 16.0803 17.5594 17.5594 18.1427 18.1427 18.6539 18.6539 18.7659 18.7659 19.1596 19.1596 20.4400 20.4400 21.3124 21.3124 21.7355 21.7355 21.9051 21.9051 22.9503 22.9503 23.8407 23.8407 24.2558 24.2558 26.5250 26.5250 27.5092 27.5092 k = 0.0000 0.2805-0.0000 ( 2244 PWs) bands (ev): -0.6586 -0.6586 -0.6453 -0.6453 0.3518 0.3518 0.3615 0.3615 0.3745 0.3745 5.1441 5.1441 10.1093 10.1093 13.3887 13.3887 14.3084 14.3084 14.3723 14.3723 14.4139 14.4139 14.7589 14.7589 15.6279 15.6279 15.8718 15.8718 16.0124 16.0124 17.5089 17.5089 18.1306 18.1306 18.6384 18.6384 18.7387 18.7387 19.1596 19.1596 20.3644 20.3644 21.3254 21.3254 21.7496 21.7496 21.9226 21.9226 22.9926 22.9926 23.9633 23.9633 24.3808 24.3808 26.5694 26.5694 27.4860 27.4860 k = 0.0000 0.2927-0.0000 ( 2244 PWs) bands (ev): -0.6579 -0.6579 -0.6438 -0.6438 0.3525 0.3525 0.3623 0.3623 0.3767 0.3767 5.1971 5.1971 10.1617 10.1617 13.2682 13.2682 14.2840 14.2840 14.3840 14.3840 14.4240 14.4240 14.7048 14.7048 15.5979 15.5979 15.9114 15.9114 15.9459 15.9459 17.4610 17.4610 18.1189 18.1189 18.6231 18.6231 18.7130 18.7130 19.1581 19.1581 20.2883 20.2883 21.3372 21.3372 21.7644 21.7644 21.9401 21.9401 23.0290 23.0290 24.0895 24.0895 24.5077 24.5077 26.6120 26.6120 27.4633 27.4633 k = 0.0000 0.3049-0.0000 ( 2240 PWs) bands (ev): -0.6572 -0.6572 -0.6423 -0.6423 0.3532 0.3532 0.3632 0.3632 0.3788 0.3788 5.2503 5.2503 10.2136 10.2136 13.1528 13.1528 14.2449 14.2449 14.3964 14.3964 14.4341 14.4341 14.6646 14.6646 15.5584 15.5584 15.8806 15.8806 15.9622 15.9622 17.4162 17.4162 18.1077 18.1077 18.6080 18.6080 18.6887 18.6887 19.1548 19.1548 20.2123 20.2123 21.3479 21.3479 21.7796 21.7796 21.9576 21.9576 23.0598 23.0598 24.2185 24.2185 24.6362 24.6362 26.6527 26.6527 27.4411 27.4411 k = 0.0000 0.3171-0.0000 ( 2240 PWs) bands (ev): -0.6566 -0.6566 -0.6409 -0.6409 0.3539 0.3539 0.3640 0.3640 0.3809 0.3809 5.3035 5.3035 10.2644 10.2644 13.0441 13.0441 14.1896 14.1896 14.4092 14.4092 14.4441 14.4441 14.6396 14.6396 15.5151 15.5151 15.8168 15.8168 16.0184 16.0184 17.3744 17.3744 18.0973 18.0973 18.5933 18.5933 18.6659 18.6659 19.1495 19.1495 20.1370 20.1370 21.3574 21.3574 21.7950 21.7950 21.9748 21.9748 23.0857 23.0857 24.3493 24.3493 24.7657 24.7657 26.6917 26.6917 27.4196 27.4196 k = 0.0000 0.3293-0.0000 ( 2240 PWs) bands (ev): -0.6559 -0.6559 -0.6395 -0.6395 0.3546 0.3546 0.3647 0.3647 0.3829 0.3829 5.3563 5.3563 10.3135 10.3135 12.9432 12.9432 14.1200 14.1200 14.4226 14.4226 14.4541 14.4541 14.6281 14.6281 15.4705 15.4705 15.7545 15.7545 16.0775 16.0775 17.3359 17.3359 18.0880 18.0880 18.5789 18.5789 18.6445 18.6445 19.1419 19.1419 20.0632 20.0632 21.3659 21.3659 21.8104 21.8104 21.9917 21.9917 23.1071 23.1071 24.4812 24.4812 24.8958 24.8958 26.7287 26.7287 27.3991 27.3991 k = 0.0000 0.3415-0.0000 ( 2240 PWs) bands (ev): -0.6553 -0.6553 -0.6382 -0.6382 0.3552 0.3552 0.3655 0.3655 0.3848 0.3848 5.4083 5.4083 10.3602 10.3602 12.8515 12.8515 14.0395 14.0395 14.4362 14.4362 14.4641 14.4641 14.6269 14.6269 15.4259 15.4259 15.6938 15.6938 16.1378 16.1378 17.3007 17.3007 18.0797 18.0797 18.5649 18.5649 18.6247 18.6247 19.1317 19.1317 19.9917 19.9917 21.3733 21.3733 21.8256 21.8256 22.0080 22.0080 23.1248 23.1248 24.6133 24.6133 25.0260 25.0260 26.7637 26.7637 27.3796 27.3796 k = 0.0000 0.3537-0.0000 ( 2240 PWs) bands (ev): -0.6548 -0.6548 -0.6369 -0.6369 0.3558 0.3558 0.3662 0.3662 0.3867 0.3867 5.4591 5.4591 10.4038 10.4038 12.7704 12.7704 13.9514 13.9514 14.4500 14.4500 14.4742 14.4742 14.6330 14.6330 15.3818 15.3818 15.6348 15.6348 16.1985 16.1985 17.2688 17.2688 18.0729 18.0729 18.5513 18.5513 18.6063 18.6063 19.1184 19.1184 19.9235 19.9235 21.3800 21.3800 21.8404 21.8404 22.0238 22.0238 23.1391 23.1391 24.7446 24.7446 25.1554 25.1554 26.7967 26.7967 27.3613 27.3613 k = 0.0000 0.3659-0.0000 ( 2232 PWs) bands (ev): -0.6542 -0.6542 -0.6357 -0.6357 0.3564 0.3564 0.3669 0.3669 0.3884 0.3884 5.5082 5.5082 10.4435 10.4435 12.7009 12.7009 13.8582 13.8582 14.4634 14.4634 14.4848 14.4848 14.6443 14.6443 15.3389 15.3389 15.5777 15.5777 16.2586 16.2586 17.2400 17.2400 18.0677 18.0677 18.5381 18.5381 18.5894 18.5894 19.1017 19.1017 19.8596 19.8596 21.3858 21.3858 21.8545 21.8545 22.0388 22.0388 23.1505 23.1505 24.8742 24.8742 25.2835 25.2835 26.8274 26.8274 27.3444 27.3444 k = 0.0000 0.3780-0.0000 ( 2240 PWs) bands (ev): -0.6537 -0.6537 -0.6346 -0.6346 0.3569 0.3569 0.3675 0.3675 0.3900 0.3900 5.5553 5.5553 10.4787 10.4787 12.6443 12.6443 13.7616 13.7616 14.4756 14.4756 14.4965 14.4965 14.6594 14.6594 15.2973 15.2973 15.5225 15.5225 16.3174 16.3174 17.2142 17.2142 18.0644 18.0644 18.5252 18.5252 18.5739 18.5739 19.0815 19.0815 19.8008 19.8008 21.3908 21.3908 21.8679 21.8679 22.0529 22.0529 23.1595 23.1595 25.0010 25.0010 25.4093 25.4093 26.8559 26.8559 27.3291 27.3291 k = 0.0000 0.3902-0.0000 ( 2228 PWs) bands (ev): -0.6533 -0.6533 -0.6336 -0.6336 0.3574 0.3574 0.3681 0.3681 0.3915 0.3915 5.5999 5.5999 10.5088 10.5088 12.6015 12.6015 13.6631 13.6631 14.4861 14.4861 14.5097 14.5097 14.6773 14.6773 15.2576 15.2576 15.4694 15.4694 16.3742 16.3742 17.1915 17.1915 18.0630 18.0630 18.5127 18.5127 18.5599 18.5599 19.0577 19.0577 19.7480 19.7480 21.3952 21.3952 21.8805 21.8805 22.0660 22.0660 23.1665 23.1665 25.1239 25.1239 25.5319 25.5319 26.8819 26.8819 27.3154 27.3154 k = 0.0000 0.4024-0.0000 ( 2228 PWs) bands (ev): -0.6528 -0.6528 -0.6326 -0.6326 0.3578 0.3578 0.3686 0.3686 0.3929 0.3929 5.6414 5.6414 10.5336 10.5336 12.5730 12.5730 13.5638 13.5638 14.4949 14.4949 14.5242 14.5242 14.6973 14.6973 15.2198 15.2198 15.4186 15.4186 16.4282 16.4282 17.1716 17.1716 18.0637 18.0637 18.5004 18.5004 18.5474 18.5474 19.0306 19.0306 19.7019 19.7019 21.3990 21.3990 21.8920 21.8920 22.0781 22.0781 23.1717 23.1717 25.2414 25.2414 25.6498 25.6498 26.9054 26.9054 27.3036 27.3036 k = 0.0000 0.4146-0.0000 ( 2232 PWs) bands (ev): -0.6524 -0.6524 -0.6318 -0.6318 0.3582 0.3582 0.3691 0.3691 0.3941 0.3941 5.6795 5.6795 10.5530 10.5530 12.5591 12.5591 13.4645 13.4645 14.5022 14.5022 14.5393 14.5393 14.7188 14.7188 15.1845 15.1845 15.3703 15.3703 16.4785 16.4785 17.1543 17.1543 18.0665 18.0665 18.4883 18.4883 18.5364 18.5364 19.0009 19.0009 19.6626 19.6626 21.4023 21.4023 21.9023 21.9023 22.0890 22.0890 23.1757 23.1757 25.3521 25.3521 25.7616 25.7616 26.9264 26.9264 27.2937 27.2937 k = 0.0000 0.4268-0.0000 ( 2232 PWs) bands (ev): -0.6521 -0.6521 -0.6310 -0.6310 0.3586 0.3586 0.3695 0.3695 0.3952 0.3952 5.7136 5.7136 10.5674 10.5674 12.5597 12.5597 13.3662 13.3662 14.5084 14.5084 14.5544 14.5544 14.7412 14.7412 15.1520 15.1520 15.3249 15.3249 16.5244 16.5244 17.1397 17.1397 18.0714 18.0714 18.4764 18.4764 18.5269 18.5269 18.9700 18.9700 19.6301 19.6301 21.4050 21.4050 21.9115 21.9115 22.0986 22.0986 23.1786 23.1786 25.4541 25.4541 25.8656 25.8656 26.9447 26.9447 27.2857 27.2857 k = 0.0000 0.4390-0.0000 ( 2240 PWs) bands (ev): -0.6518 -0.6518 -0.6304 -0.6304 0.3589 0.3589 0.3698 0.3698 0.3961 0.3961 5.7433 5.7433 10.5774 10.5774 12.5740 12.5740 13.2697 13.2697 14.5135 14.5135 14.5689 14.5689 14.7639 14.7639 15.1228 15.1228 15.2829 15.2829 16.5650 16.5650 17.1275 17.1275 18.0780 18.0780 18.4648 18.4648 18.5188 18.5188 18.9395 18.9395 19.6040 19.6040 21.4072 21.4072 21.9193 21.9193 22.1069 22.1069 23.1806 23.1806 25.5457 25.5457 25.9596 25.9596 26.9603 26.9603 27.2798 27.2798 k = 0.0000 0.4512-0.0000 ( 2244 PWs) bands (ev): -0.6516 -0.6516 -0.6299 -0.6299 0.3591 0.3591 0.3701 0.3701 0.3969 0.3969 5.7683 5.7683 10.5838 10.5838 12.6012 12.6012 13.1762 13.1762 14.5177 14.5177 14.5822 14.5822 14.7860 14.7860 15.0974 15.0974 15.2451 15.2451 16.5995 16.5995 17.1177 17.1177 18.0857 18.0857 18.4537 18.4537 18.5122 18.5122 18.9111 18.9111 19.5837 19.5837 21.4090 21.4090 21.9258 21.9258 22.1137 22.1137 23.1820 23.1820 25.6247 25.6247 26.0414 26.0414 26.9731 26.9731 27.2758 27.2758 k = 0.0000 0.4634-0.0000 ( 2236 PWs) bands (ev): -0.6514 -0.6514 -0.6295 -0.6295 0.3593 0.3593 0.3704 0.3704 0.3975 0.3975 5.7881 5.7881 10.5876 10.5876 12.6397 12.6397 13.0866 13.0866 14.5210 14.5210 14.5937 14.5937 14.8064 14.8064 15.0766 15.0766 15.2126 15.2126 16.6272 16.6272 17.1102 17.1102 18.0936 18.0936 18.4436 18.4436 18.5071 18.5071 18.8868 18.8868 19.5687 19.5687 21.4104 21.4104 21.9309 21.9309 22.1191 22.1191 23.1829 23.1829 25.6891 25.6891 26.1086 26.1086 26.9832 26.9832 27.2734 27.2734 k = 0.0000 0.4756-0.0000 ( 2240 PWs) bands (ev): -0.6513 -0.6513 -0.6292 -0.6292 0.3595 0.3595 0.3705 0.3705 0.3979 0.3979 5.8025 5.8025 10.5895 10.5895 12.6869 12.6869 13.0032 13.0032 14.5234 14.5234 14.6026 14.6026 14.8233 14.8233 15.0610 15.0610 15.1870 15.1870 16.6475 16.6475 17.1049 17.1049 18.1007 18.1007 18.4353 18.4353 18.5034 18.5034 18.8682 18.8682 19.5584 19.5584 21.4114 21.4114 21.9346 21.9346 22.1230 22.1230 23.1835 23.1835 25.7368 25.7368 26.1586 26.1586 26.9904 26.9904 27.2723 27.2723 k = 0.0000 0.4878-0.0000 ( 2240 PWs) bands (ev): -0.6512 -0.6512 -0.6290 -0.6290 0.3596 0.3596 0.3706 0.3706 0.3982 0.3982 5.8112 5.8112 10.5903 10.5903 12.7375 12.7375 12.9312 12.9312 14.5248 14.5248 14.6082 14.6082 14.8348 14.8348 15.0514 15.0514 15.1703 15.1703 16.6599 16.6599 17.1017 17.1017 18.1056 18.1056 18.4297 18.4297 18.5012 18.5012 18.8565 18.8565 19.5524 19.5524 21.4120 21.4120 21.9368 21.9368 22.1253 22.1253 23.1838 23.1838 25.7661 25.7661 26.1896 26.1896 26.9947 26.9947 27.2718 27.2718 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): -0.6512 -0.6512 -0.6289 -0.6289 0.3596 0.3596 0.3707 0.3707 0.3983 0.3983 5.8141 5.8141 10.5906 10.5906 12.7670 12.7670 12.8946 12.8946 14.5253 14.5253 14.6102 14.6102 14.8389 14.8389 15.0481 15.0481 15.1645 15.1645 16.6640 16.6640 17.1006 17.1006 18.1074 18.1074 18.4278 18.4278 18.5005 18.5005 18.8525 18.8525 19.5504 19.5504 21.4122 21.4122 21.9375 21.9375 22.1261 22.1261 23.1839 23.1839 25.7760 25.7760 26.2001 26.2001 26.9961 26.9961 27.2718 27.2718 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): -0.6512 -0.6512 -0.6289 -0.6289 0.3596 0.3596 0.3707 0.3707 0.3983 0.3983 5.8141 5.8141 10.5906 10.5906 12.7670 12.7670 12.8946 12.8946 14.5253 14.5253 14.6102 14.6102 14.8389 14.8389 15.0481 15.0481 15.1645 15.1645 16.6640 16.6640 17.1006 17.1006 18.1074 18.1074 18.4278 18.4278 18.5005 18.5005 18.8525 18.8525 19.5504 19.5504 21.4122 21.4122 21.9375 21.9375 22.1261 22.1261 23.1839 23.1839 25.7760 25.7760 26.2001 26.2001 26.9961 26.9961 27.2718 27.2718 k = 0.0122 0.5000-0.0000 ( 2240 PWs) bands (ev): -0.6511 -0.6511 -0.6289 -0.6289 0.3596 0.3596 0.3707 0.3707 0.3983 0.3983 5.8157 5.8157 10.5912 10.5912 12.7652 12.7652 12.8958 12.8958 14.5045 14.5045 14.6261 14.6261 14.8392 14.8392 15.0487 15.0487 15.1650 15.1650 16.6632 16.6632 17.1006 17.1006 18.1018 18.1018 18.4297 18.4297 18.5052 18.5052 18.8514 18.8514 19.5509 19.5509 21.4016 21.4016 21.9420 21.9420 22.1321 22.1321 23.1817 23.1817 25.7770 25.7770 26.2000 26.2000 26.9991 26.9991 27.2655 27.2655 k = 0.0244 0.5000-0.0000 ( 2240 PWs) bands (ev): -0.6511 -0.6511 -0.6290 -0.6290 0.3598 0.3598 0.3706 0.3706 0.3983 0.3983 5.8205 5.8205 10.5933 10.5933 12.7598 12.7598 12.8997 12.8997 14.4634 14.4634 14.6504 14.6504 14.8426 14.8426 15.0507 15.0507 15.1664 15.1664 16.6605 16.6605 17.1005 17.1005 18.0858 18.0858 18.4349 18.4349 18.5189 18.5189 18.8484 18.8484 19.5525 19.5525 21.3716 21.3716 21.9533 21.9533 22.1502 22.1502 23.1750 23.1750 25.7797 25.7797 26.2001 26.2001 27.0076 27.0076 27.2474 27.2474 k = 0.0366 0.5000-0.0000 ( 2230 PWs) bands (ev): -0.6509 -0.6509 -0.6290 -0.6290 0.3600 0.3600 0.3705 0.3705 0.3984 0.3984 5.8284 5.8284 10.5967 10.5967 12.7510 12.7510 12.9060 12.9060 14.4168 14.4168 14.6623 14.6623 14.8556 14.8556 15.0537 15.0537 15.1688 15.1688 16.6562 16.6562 17.1002 17.1002 18.0616 18.0616 18.4421 18.4421 18.5403 18.5403 18.8440 18.8440 19.5553 19.5553 21.3264 21.3264 21.9672 21.9672 22.1802 22.1802 23.1640 23.1640 25.7840 25.7840 26.2008 26.2008 27.0207 27.0207 27.2190 27.2190 k = 0.0488 0.5000-0.0000 ( 2228 PWs) bands (ev): -0.6508 -0.6508 -0.6290 -0.6290 0.3603 0.3603 0.3704 0.3704 0.3984 0.3984 5.8395 5.8395 10.6014 10.6014 12.7388 12.7388 12.9147 12.9147 14.3682 14.3682 14.6542 14.6542 14.8823 14.8823 15.0575 15.0575 15.1722 15.1722 16.6503 16.6503 17.0996 17.0996 18.0317 18.0317 18.4502 18.4502 18.5675 18.5675 18.8388 18.8388 19.5593 19.5593 21.2704 21.2704 21.9803 21.9803 22.2209 22.2209 23.1488 23.1488 25.7895 25.7895 26.2027 26.2027 27.0351 27.0351 27.1844 27.1844 k = 0.0610 0.5000-0.0000 ( 2224 PWs) bands (ev): -0.6505 -0.6505 -0.6291 -0.6291 0.3608 0.3608 0.3702 0.3702 0.3985 0.3985 5.8537 5.8537 10.6074 10.6074 12.7235 12.7235 12.9256 12.9256 14.3187 14.3187 14.6282 14.6282 14.9197 14.9197 15.0621 15.0621 15.1768 15.1768 16.6429 16.6429 17.0983 17.0983 17.9978 17.9978 18.4582 18.4582 18.5989 18.5989 18.8341 18.8341 19.5646 19.5646 21.2069 21.2069 21.9911 21.9911 22.2698 22.2698 23.1293 23.1293 25.7956 25.7956 26.2070 26.2070 27.0404 27.0404 27.1552 27.1552 k = 0.0732 0.5000-0.0000 ( 2224 PWs) bands (ev): -0.6502 -0.6502 -0.6291 -0.6291 0.3613 0.3613 0.3700 0.3700 0.3987 0.3987 5.8710 5.8710 10.6147 10.6147 12.7053 12.7053 12.9385 12.9385 14.2687 14.2687 14.5894 14.5894 14.9623 14.9623 15.0676 15.0676 15.1827 15.1827 16.6342 16.6342 17.0961 17.0961 17.9614 17.9614 18.4650 18.4650 18.6330 18.6330 18.8311 18.8311 19.5713 19.5713 21.1383 21.1383 21.9993 21.9993 22.3244 22.3244 23.1059 23.1059 25.8017 25.8017 26.2146 26.2146 27.0160 27.0160 27.1529 27.1529 k = 0.0854 0.5000-0.0000 ( 2218 PWs) bands (ev): -0.6499 -0.6499 -0.6292 -0.6292 0.3618 0.3618 0.3697 0.3697 0.3988 0.3988 5.8914 5.8914 10.6233 10.6233 12.6844 12.6844 12.9530 12.9530 14.2184 14.2184 14.5413 14.5413 15.0047 15.0047 15.0759 15.0759 15.1904 15.1904 16.6244 16.6244 17.0927 17.0927 17.9233 17.9233 18.4697 18.4697 18.6691 18.6691 18.8314 18.8314 19.5793 19.5793 21.0662 21.0662 22.0050 22.0050 22.3825 22.3825 23.0786 23.0786 25.8073 25.8073 26.2264 26.2264 26.9641 26.9641 27.1764 27.1764 k = 0.0976 0.5000-0.0000 ( 2224 PWs) bands (ev): -0.6496 -0.6496 -0.6293 -0.6293 0.3625 0.3625 0.3694 0.3694 0.3990 0.3990 5.9148 5.9148 10.6330 10.6330 12.6612 12.6612 12.9688 12.9688 14.1677 14.1677 14.4865 14.4865 15.0377 15.0377 15.0925 15.0925 15.2012 15.2012 16.6136 16.6136 17.0879 17.0879 17.8841 17.8841 18.4712 18.4712 18.7068 18.7068 18.8360 18.8360 19.5885 19.5885 20.9916 20.9916 22.0081 22.0081 22.4428 22.4428 23.0477 23.0477 25.8122 25.8122 26.2432 26.2432 26.9004 26.9004 27.2111 27.2111 k = 0.1098 0.5000-0.0000 ( 2220 PWs) bands (ev): -0.6491 -0.6491 -0.6294 -0.6294 0.3632 0.3632 0.3691 0.3691 0.3992 0.3992 5.9412 5.9412 10.6440 10.6440 12.6360 12.6360 12.9852 12.9852 14.1167 14.1167 14.4271 14.4271 15.0537 15.0537 15.1211 15.1211 15.2180 15.2180 16.6022 16.6022 17.0815 17.0815 17.8443 17.8443 18.4690 18.4690 18.7462 18.7462 18.8455 18.8455 19.5986 19.5986 20.9153 20.9153 22.0085 22.0085 22.5041 22.5041 23.0135 23.0135 25.8161 25.8161 26.2650 26.2650 26.8322 26.8322 27.2508 27.2508 k = 0.1220 0.5000-0.0000 ( 2216 PWs) bands (ev): -0.6487 -0.6487 -0.6295 -0.6295 0.3640 0.3640 0.3687 0.3687 0.3994 0.3994 5.9706 5.9706 10.6559 10.6559 12.6091 12.6091 13.0016 13.0016 14.0652 14.0652 14.3647 14.3647 15.0600 15.0600 15.1483 15.1483 15.2459 15.2459 16.5903 16.5903 17.0732 17.0732 17.8042 17.8042 18.4634 18.4634 18.7873 18.7873 18.8597 18.8597 19.6092 19.6092 20.8379 20.8379 22.0059 22.0059 22.5657 22.5657 22.9762 22.9762 25.8192 25.8192 26.2909 26.2909 26.7634 26.7634 27.2930 27.2930 k = 0.1341 0.5000-0.0000 ( 2224 PWs) bands (ev): -0.6482 -0.6482 -0.6296 -0.6296 0.3648 0.3648 0.3684 0.3684 0.3997 0.3997 6.0030 6.0030 10.6689 10.6689 12.5807 12.5807 13.0166 13.0166 14.0132 14.0132 14.3013 14.3013 15.0626 15.0626 15.1659 15.1659 15.2864 15.2864 16.5782 16.5782 17.0631 17.0631 17.7638 17.7638 18.4551 18.4551 18.8302 18.8302 18.8776 18.8776 19.6201 19.6201 20.7597 20.7597 22.0004 22.0004 22.6272 22.6272 22.9363 22.9363 25.8218 25.8218 26.3187 26.3187 26.6983 26.6983 27.3361 27.3361 k = 0.1463 0.5000-0.0000 ( 2220 PWs) bands (ev): -0.6477 -0.6477 -0.6298 -0.6298 0.3656 0.3656 0.3680 0.3680 0.4000 0.4000 6.0381 6.0381 10.6829 10.6829 12.5513 12.5513 13.0289 13.0289 13.9612 13.9612 14.2388 14.2388 15.0636 15.0636 15.1757 15.1757 15.3351 15.3351 16.5662 16.5662 17.0511 17.0511 17.7236 17.7236 18.4451 18.4451 18.8753 18.8753 18.8983 18.8983 19.6308 19.6308 20.6811 20.6811 21.9919 21.9919 22.6881 22.6881 22.8940 22.8940 25.8246 25.8246 26.3427 26.3427 26.6438 26.6438 27.3791 27.3791 k = 0.1585 0.5000-0.0000 ( 2226 PWs) bands (ev): -0.6471 -0.6471 -0.6299 -0.6299 0.3663 0.3663 0.3678 0.3678 0.4004 0.4004 6.0761 6.0761 10.6977 10.6977 12.5212 12.5212 13.0363 13.0363 13.9102 13.9102 14.1787 14.1787 15.0633 15.0633 15.1807 15.1807 15.3880 15.3880 16.5544 16.5544 17.0372 17.0372 17.6835 17.6835 18.4345 18.4345 18.9198 18.9198 18.9230 18.9230 19.6407 19.6407 20.6024 20.6024 21.9805 21.9805 22.7481 22.7481 22.8498 22.8498 25.8281 25.8281 26.3512 26.3512 26.6122 26.6122 27.4210 27.4210 k = 0.1707 0.5000-0.0000 ( 2230 PWs) bands (ev): -0.6466 -0.6466 -0.6301 -0.6301 0.3664 0.3664 0.3681 0.3681 0.4008 0.4008 6.1167 6.1167 10.7133 10.7133 12.4906 12.4906 13.0360 13.0360 13.8621 13.8621 14.1225 14.1225 15.0621 15.0621 15.1824 15.1824 15.4429 15.4429 16.5430 16.5430 17.0218 17.0218 17.6438 17.6438 18.4242 18.4242 18.9430 18.9430 18.9713 18.9713 19.6495 19.6495 20.5238 20.5238 21.9664 21.9664 22.8036 22.8036 22.8076 22.8076 25.8327 25.8327 26.3323 26.3323 26.6161 26.6161 27.4612 27.4612 k = 0.1829 0.5000-0.0000 ( 2226 PWs) bands (ev): -0.6460 -0.6460 -0.6302 -0.6302 0.3661 0.3661 0.3689 0.3689 0.4013 0.4013 6.1600 6.1600 10.7295 10.7295 12.4599 12.4599 13.0250 13.0250 13.8197 13.8197 14.0710 14.0710 15.0601 15.0601 15.1813 15.1813 15.4989 15.4989 16.5324 16.5324 17.0049 17.0049 17.6048 17.6048 18.4146 18.4146 18.9656 18.9656 19.0216 19.0216 19.6569 19.6569 20.4455 20.4455 21.9500 21.9500 22.7571 22.7571 22.8651 22.8651 25.8389 25.8389 26.2900 26.2900 26.6517 26.6517 27.4993 27.4993 k = 0.1951 0.5000-0.0000 ( 2226 PWs) bands (ev): -0.6454 -0.6454 -0.6304 -0.6304 0.3656 0.3656 0.3698 0.3698 0.4018 0.4018 6.2058 6.2058 10.7463 10.7463 12.4292 12.4292 13.0000 13.0000 13.7860 13.7860 14.0250 14.0250 15.0572 15.0572 15.1776 15.1776 15.5555 15.5555 16.5225 16.5225 16.9868 16.9868 17.5667 17.5667 18.4064 18.4064 18.9872 18.9872 19.0728 19.0728 19.6624 19.6624 20.3675 20.3675 21.9318 21.9318 22.7096 22.7096 22.9217 22.9217 25.8470 25.8470 26.2369 26.2369 26.7067 26.7067 27.5350 27.5350 k = 0.2073 0.5000-0.0000 ( 2226 PWs) bands (ev): -0.6447 -0.6447 -0.6305 -0.6305 0.3651 0.3651 0.3708 0.3708 0.4024 0.4024 6.2541 6.2541 10.7635 10.7635 12.3989 12.3989 12.9589 12.9589 13.7628 13.7628 13.9852 13.9852 15.0536 15.0536 15.1713 15.1713 15.6121 15.6121 16.5137 16.5137 16.9679 16.9679 17.5298 17.5298 18.3997 18.3997 19.0074 19.0074 19.1240 19.1240 19.6663 19.6663 20.2901 20.2901 21.9123 21.9123 22.6619 22.6619 22.9768 22.9768 25.8573 25.8573 26.1807 26.1807 26.7736 26.7736 27.5681 27.5681 k = 0.2195 0.5000-0.0000 ( 2226 PWs) bands (ev): -0.6441 -0.6441 -0.6307 -0.6307 0.3646 0.3646 0.3717 0.3717 0.4030 0.4030 6.3046 6.3046 10.7810 10.7810 12.3692 12.3692 12.9014 12.9014 13.7497 13.7497 13.9527 13.9527 15.0490 15.0490 15.1626 15.1626 15.6687 15.6687 16.5058 16.5058 16.9484 16.9484 17.4944 17.4944 18.3945 18.3945 19.0258 19.0258 19.1743 19.1743 19.6687 19.6687 20.2134 20.2134 21.8920 21.8920 22.6144 22.6144 23.0305 23.0305 25.8696 25.8696 26.1254 26.1254 26.8487 26.8487 27.5987 27.5987 k = 0.2317 0.5000-0.0000 ( 2226 PWs) bands (ev): -0.6434 -0.6434 -0.6309 -0.6309 0.3640 0.3640 0.3727 0.3727 0.4037 0.4037 6.3573 6.3573 10.7987 10.7987 12.3403 12.3403 12.8291 12.8291 13.7432 13.7432 13.9301 13.9301 15.0433 15.0433 15.1517 15.1517 15.7249 15.7249 16.4990 16.4990 16.9287 16.9287 17.4609 17.4609 18.3909 18.3909 19.0416 19.0416 19.2223 19.2223 19.6705 19.6705 20.1373 20.1373 21.8715 21.8715 22.5676 22.5676 23.0826 23.0826 25.8837 25.8837 26.0731 26.0731 26.9301 26.9301 27.6267 27.6267 k = 0.2439 0.5000-0.0000 ( 2210 PWs) bands (ev): -0.6428 -0.6428 -0.6311 -0.6311 0.3634 0.3634 0.3736 0.3736 0.4044 0.4044 6.4120 6.4120 10.8164 10.8164 12.3122 12.3122 12.7448 12.7448 13.7374 13.7374 13.9208 13.9208 15.0364 15.0364 15.1391 15.1391 15.7806 15.7806 16.4932 16.4932 16.9090 16.9090 17.4295 17.4295 18.3887 18.3887 19.0545 19.0545 19.2662 19.2662 19.6733 19.6733 20.0620 20.0620 21.8514 21.8514 22.5219 22.5219 23.1330 23.1330 25.8978 25.8978 26.0266 26.0266 27.0170 27.0170 27.6525 27.6525 k = 0.2561 0.5000-0.0000 ( 2210 PWs) bands (ev): -0.6421 -0.6421 -0.6313 -0.6313 0.3628 0.3628 0.3745 0.3745 0.4052 0.4052 6.4685 6.4685 10.8340 10.8340 12.2849 12.2849 12.6514 12.6514 13.7272 13.7272 13.9276 13.9276 15.0277 15.0277 15.1253 15.1253 15.8355 15.8355 16.4884 16.4884 16.8897 16.8897 17.4005 17.4005 18.3878 18.3878 19.0637 19.0637 19.3039 19.3039 19.6791 19.6791 19.9875 19.9875 21.8322 21.8322 22.4779 22.4779 23.1816 23.1816 25.9053 25.9053 25.9929 25.9929 27.1085 27.1085 27.6763 27.6763 k = 0.2683 0.5000-0.0000 ( 2216 PWs) bands (ev): -0.6415 -0.6415 -0.6315 -0.6315 0.3622 0.3622 0.3754 0.3754 0.4060 0.4060 6.5266 6.5266 10.8513 10.8513 12.2581 12.2581 12.5521 12.5521 13.7113 13.7113 13.9493 13.9493 15.0168 15.0168 15.1110 15.1110 15.8893 15.8893 16.4845 16.4845 16.8711 16.8711 17.3743 17.3743 18.3880 18.3880 19.0682 19.0682 19.3332 19.3332 19.6905 19.6905 19.9137 19.9137 21.8143 21.8143 22.4359 22.4359 23.2285 23.2285 25.8916 25.8916 25.9869 25.9869 27.2040 27.2040 27.6985 27.6985 k = 0.2805 0.5000-0.0000 ( 2220 PWs) bands (ev): -0.6408 -0.6408 -0.6316 -0.6316 0.3617 0.3617 0.3762 0.3762 0.4068 0.4068 6.5861 6.5861 10.8682 10.8682 12.2308 12.2308 12.4503 12.4503 13.6916 13.6916 13.9823 13.9823 15.0031 15.0031 15.0973 15.0973 15.9419 15.9419 16.4814 16.4814 16.8534 16.8534 17.3509 17.3509 18.3892 18.3892 19.0673 19.0673 19.3530 19.3530 19.7089 19.7089 19.8411 19.8411 21.7980 21.7980 22.3963 22.3963 23.2735 23.2735 25.8608 25.8608 26.0047 26.0047 27.3029 27.3029 27.7194 27.7194 k = 0.2927 0.5000-0.0000 ( 2226 PWs) bands (ev): -0.6402 -0.6402 -0.6318 -0.6318 0.3611 0.3611 0.3770 0.3770 0.4077 0.4077 6.6468 6.6468 10.8844 10.8844 12.1994 12.1994 12.3514 12.3514 13.6701 13.6701 14.0230 14.0230 14.9862 14.9862 15.0847 15.0847 15.9928 15.9928 16.4792 16.4792 16.8369 16.8369 17.3305 17.3305 18.3911 18.3911 19.0597 19.0597 19.3639 19.3639 19.7308 19.7308 19.7736 19.7736 21.7833 21.7833 22.3596 22.3597 23.3166 23.3166 25.8263 25.8263 26.0327 26.0327 27.4041 27.4041 27.7401 27.7401 k = 0.3049 0.5000-0.0000 ( 2226 PWs) bands (ev): -0.6396 -0.6396 -0.6320 -0.6320 0.3605 0.3605 0.3777 0.3777 0.4086 0.4086 6.7084 6.7084 10.9000 10.9000 12.1514 12.1514 12.2696 12.2696 13.6482 13.6482 14.0688 14.0688 14.9661 14.9661 15.0737 15.0737 16.0420 16.0420 16.4776 16.4776 16.8218 16.8218 17.3134 17.3134 18.3936 18.3936 19.0446 19.0446 19.3682 19.3682 19.6914 19.6914 19.7747 19.7747 21.7703 21.7703 22.3261 22.3261 23.3577 23.3577 25.7929 25.7929 26.0661 26.0661 27.5059 27.5059 27.7621 27.7621 k = 0.3171 0.5000-0.0000 ( 2224 PWs) bands (ev): -0.6390 -0.6390 -0.6322 -0.6322 0.3600 0.3600 0.3784 0.3784 0.4095 0.4095 6.7705 6.7705 10.9146 10.9146 12.0717 12.0717 12.2212 12.2212 13.6267 13.6267 14.1178 14.1178 14.9433 14.9433 15.0643 15.0643 16.0888 16.0888 16.4767 16.4767 16.8085 16.8085 17.2994 17.2994 18.3966 18.3966 19.0215 19.0215 19.3689 19.3689 19.6225 19.6225 19.8105 19.8105 21.7590 21.7590 22.2961 22.2961 23.3967 23.3967 25.7616 25.7616 26.1037 26.1037 27.6034 27.6034 27.7901 27.7901 k = 0.3293 0.5000-0.0000 ( 2228 PWs) bands (ev): -0.6384 -0.6384 -0.6324 -0.6324 0.3595 0.3595 0.3790 0.3790 0.4104 0.4104 6.8327 6.8327 10.9283 10.9283 11.9730 11.9730 12.1947 12.1947 13.6061 13.6061 14.1687 14.1687 14.9184 14.9184 15.0562 15.0562 16.1331 16.1331 16.4765 16.4765 16.7971 16.7971 17.2885 17.2885 18.3998 18.3998 18.9907 18.9907 19.3678 19.3678 19.5541 19.5541 19.8497 19.8497 21.7493 21.7493 22.2696 22.2696 23.4336 23.4336 25.7329 25.7329 26.1449 26.1449 27.6840 27.6840 27.8367 27.8367 k = 0.3415 0.5000-0.0000 ( 2228 PWs) bands (ev): -0.6378 -0.6378 -0.6326 -0.6326 0.3590 0.3590 0.3796 0.3796 0.4113 0.4113 6.8948 6.8948 10.9409 10.9409 11.8696 11.8696 12.1770 12.1770 13.5865 13.5865 14.2205 14.2205 14.8922 14.8922 15.0491 15.0491 16.1744 16.1744 16.4770 16.4770 16.7879 16.7879 17.2808 17.2808 18.4032 18.4032 18.9530 18.9530 19.3652 19.3652 19.4885 19.4885 19.8894 19.8894 21.7409 21.7409 22.2469 22.2469 23.4684 23.4684 25.7067 25.7067 26.1896 26.1896 27.7330 27.7330 27.9163 27.9163 k = 0.3537 0.5000-0.0000 ( 2228 PWs) bands (ev): -0.6373 -0.6373 -0.6327 -0.6327 0.3585 0.3585 0.3801 0.3801 0.4122 0.4122 6.9562 6.9562 10.9522 10.9522 11.7666 11.7666 12.1636 12.1636 13.5682 13.5682 14.2722 14.2722 14.8654 14.8654 15.0429 15.0429 16.2123 16.2123 16.4782 16.4782 16.7811 16.7811 17.2758 17.2758 18.4065 18.4065 18.9097 18.9097 19.3571 19.3571 19.4308 19.4308 19.9282 19.9282 21.7337 21.7337 22.2279 22.2279 23.5008 23.5008 25.6829 25.6829 26.2374 26.2374 27.7589 27.7589 28.0200 28.0200 k = 0.3659 0.5000-0.0000 ( 2228 PWs) bands (ev): -0.6368 -0.6368 -0.6329 -0.6329 0.3580 0.3580 0.3806 0.3806 0.4130 0.4130 7.0164 7.0164 10.9622 10.9622 11.6664 11.6664 12.1531 12.1531 13.5511 13.5511 14.3230 14.3230 14.8386 14.8386 15.0373 15.0373 16.2465 16.2465 16.4799 16.4799 16.7769 16.7769 17.2735 17.2735 18.4097 18.4097 18.8622 18.8622 19.3279 19.3279 19.3975 19.3975 19.9651 19.9651 21.7277 21.7277 22.2124 22.2124 23.5310 23.5310 25.6615 25.6615 26.2882 26.2882 27.7747 27.7747 28.1344 28.1344 k = 0.3780 0.5000-0.0000 ( 2228 PWs) bands (ev): -0.6363 -0.6363 -0.6331 -0.6331 0.3576 0.3576 0.3810 0.3810 0.4138 0.4138 7.0749 7.0749 10.9707 10.9707 11.5704 11.5704 12.1451 12.1451 13.5355 13.5355 14.3721 14.3721 14.8125 14.8125 15.0322 15.0322 16.2768 16.2768 16.4821 16.4821 16.7753 16.7753 17.2735 17.2735 18.4126 18.4126 18.8121 18.8121 19.2770 19.2770 19.3894 19.3894 19.9994 19.9994 21.7226 21.7226 22.2001 22.2001 23.5588 23.5588 25.6425 25.6425 26.3418 26.3418 27.7856 27.7856 28.2538 28.2538 k = 0.3902 0.5000-0.0000 ( 2224 PWs) bands (ev): -0.6359 -0.6359 -0.6332 -0.6332 0.3572 0.3572 0.3814 0.3814 0.4146 0.4146 7.1310 7.1310 10.9777 10.9777 11.4800 11.4800 12.1389 12.1389 13.5213 13.5213 14.4188 14.4188 14.7875 14.7875 15.0277 15.0277 16.3032 16.3032 16.4845 16.4845 16.7764 16.7764 17.2756 17.2756 18.4151 18.4151 18.7611 18.7611 19.2226 19.2226 19.3888 19.3888 20.0307 20.0307 21.7185 21.7185 22.1908 22.1908 23.5842 23.5842 25.6255 25.6255 26.3977 26.3977 27.7932 27.7932 28.3760 28.3760 k = 0.4024 0.5000-0.0000 ( 2228 PWs) bands (ev): -0.6355 -0.6355 -0.6333 -0.6333 0.3569 0.3569 0.3818 0.3818 0.4153 0.4153 7.1840 7.1840 10.9829 10.9829 11.3963 11.3963 12.1343 12.1343 13.5085 13.5085 14.4622 14.4622 14.7644 14.7644 15.0237 15.0237 16.3258 16.3258 16.4869 16.4869 16.7799 16.7799 17.2792 17.2792 18.4169 18.4169 18.7106 18.7106 19.1705 19.1705 19.3902 19.3902 20.0586 20.0586 21.7152 21.7152 22.1840 22.1840 23.6070 23.6070 25.6106 25.6106 26.4555 26.4555 27.7977 27.7977 28.4353 28.4353 k = 0.4146 0.5000-0.0000 ( 2224 PWs) bands (ev): -0.6352 -0.6352 -0.6334 -0.6334 0.3566 0.3566 0.3821 0.3821 0.4160 0.4160 7.2334 7.2334 10.9861 10.9861 11.3206 11.3206 12.1311 12.1311 13.4972 13.4972 14.5016 14.5016 14.7435 14.7435 15.0201 15.0201 16.3451 16.3451 16.4890 16.4890 16.7855 16.7855 17.2840 17.2840 18.4178 18.4178 18.6624 18.6624 19.1225 19.1225 19.3922 19.3922 20.0831 20.0831 21.7127 21.7127 22.1793 22.1793 23.6274 23.6274 25.5977 25.5977 26.5144 26.5144 27.7989 27.7989 28.3337 28.3337 k = 0.4268 0.5000-0.0000 ( 2224 PWs) bands (ev): -0.6349 -0.6349 -0.6335 -0.6335 0.3563 0.3563 0.3823 0.3823 0.4165 0.4165 7.2782 7.2782 10.9869 10.9869 11.2544 11.2544 12.1290 12.1290 13.4874 13.4874 14.5360 14.5360 14.7257 14.7257 15.0171 15.0171 16.3613 16.3613 16.4904 16.4904 16.7925 16.7925 17.2895 17.2895 18.4176 18.4176 18.6181 18.6181 19.0794 19.0794 19.3944 19.3944 20.1041 20.1041 21.7108 21.7108 22.1763 22.1763 23.6451 23.6451 25.5867 25.5867 26.5737 26.5737 27.7959 27.7959 28.2403 28.2403 k = 0.4390 0.5000-0.0000 ( 2212 PWs) bands (ev): -0.6346 -0.6346 -0.6336 -0.6336 0.3561 0.3561 0.3826 0.3826 0.4170 0.4170 7.3178 7.3178 10.9848 10.9848 11.1992 11.1992 12.1277 12.1277 13.4790 13.4790 14.5645 14.5645 14.7116 14.7116 15.0145 15.0145 16.3749 16.3749 16.4913 16.4913 16.8003 16.8003 17.2954 17.2954 18.4158 18.4158 18.5794 18.5794 19.0418 19.0418 19.3964 19.3964 20.1216 20.1216 21.7096 21.7096 22.1744 22.1744 23.6602 23.6602 25.5775 25.5775 26.6317 26.6317 27.7874 27.7874 28.1585 28.1585 k = 0.4512 0.5000-0.0000 ( 2208 PWs) bands (ev): -0.6344 -0.6344 -0.6337 -0.6337 0.3559 0.3559 0.3827 0.3827 0.4174 0.4174 7.3515 7.3515 10.9794 10.9794 11.1562 11.1562 12.1270 12.1270 13.4722 13.4722 14.5860 14.5860 14.7022 14.7022 15.0124 15.0124 16.3861 16.3861 16.4914 16.4914 16.8079 16.8079 17.3009 17.3009 18.4120 18.4120 18.5480 18.5480 19.0103 19.0103 19.3983 19.3983 20.1357 20.1357 21.7088 21.7088 22.1735 22.1735 23.6726 23.6726 25.5700 25.5700 26.6865 26.6865 27.7721 27.7721 28.0919 28.0919 k = 0.4634 0.5000-0.0000 ( 2208 PWs) bands (ev): -0.6343 -0.6343 -0.6337 -0.6337 0.3557 0.3557 0.3829 0.3829 0.4178 0.4178 7.3784 7.3784 10.9709 10.9709 11.1260 11.1260 12.1266 12.1266 13.4669 13.4669 14.5999 14.5999 14.6978 14.6978 15.0108 15.0108 16.3950 16.3950 16.4911 16.4911 16.8148 16.8148 17.3059 17.3059 18.4063 18.4063 18.5248 18.5248 18.9853 18.9853 19.3998 19.3998 20.1466 20.1466 21.7084 21.7084 22.1731 22.1731 23.6823 23.6823 25.5642 25.5642 26.7355 26.7355 27.7506 27.7506 28.0432 28.0432 k = 0.4756 0.5000-0.0000 ( 2208 PWs) bands (ev): -0.6342 -0.6342 -0.6338 -0.6338 0.3556 0.3556 0.3830 0.3830 0.4180 0.4180 7.3982 7.3982 10.9615 10.9615 11.1072 11.1072 12.1265 12.1265 13.4631 13.4631 14.6072 14.6072 14.6974 14.6974 15.0096 15.0096 16.4016 16.4016 16.4906 16.4906 16.8201 16.8201 17.3097 17.3097 18.4000 18.4000 18.5099 18.5099 18.9672 18.9672 19.4009 19.4009 20.1542 20.1542 21.7082 21.7082 22.1729 22.1729 23.6892 23.6892 25.5602 25.5602 26.7749 26.7749 27.7269 27.7269 28.0121 28.0121 k = 0.4878 0.5000-0.0000 ( 2216 PWs) bands (ev): -0.6341 -0.6341 -0.6338 -0.6338 0.3555 0.3555 0.3830 0.3830 0.4182 0.4182 7.4102 7.4102 10.9542 10.9542 11.0974 11.0974 12.1265 12.1265 13.4608 13.4608 14.6102 14.6102 14.6986 14.6986 15.0089 15.0089 16.4057 16.4057 16.4901 16.4901 16.8235 16.8235 17.3121 17.3121 18.3949 18.3949 18.5018 18.5018 18.9562 18.9562 19.4015 19.4015 20.1587 20.1587 21.7081 21.7081 22.1730 22.1730 23.6934 23.6934 25.5577 25.5577 26.8010 26.8010 27.7082 27.7082 27.9955 27.9955 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): -0.6341 -0.6341 -0.6338 -0.6338 0.3555 0.3555 0.3830 0.3830 0.4182 0.4182 7.4142 7.4142 10.9514 10.9514 11.0944 11.0944 12.1265 12.1265 13.4601 13.4601 14.6109 14.6109 14.6993 14.6993 15.0087 15.0087 16.4071 16.4071 16.4899 16.4899 16.8247 16.8247 17.3130 17.3130 18.3930 18.3930 18.4993 18.4993 18.9525 18.9525 19.4017 19.4017 20.1602 20.1602 21.7081 21.7081 22.1730 22.1730 23.6948 23.6948 25.5569 25.5569 26.8101 26.8101 27.7011 27.7011 27.9904 27.9904 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): -0.6341 -0.6341 -0.6338 -0.6338 0.3555 0.3555 0.3830 0.3830 0.4182 0.4182 7.4142 7.4142 10.9514 10.9514 11.0944 11.0944 12.1265 12.1265 13.4601 13.4601 14.6109 14.6109 14.6993 14.6993 15.0087 15.0087 16.4071 16.4071 16.4899 16.4899 16.8247 16.8247 17.3130 17.3130 18.3930 18.3930 18.4993 18.4993 18.9525 18.9525 19.4017 19.4017 20.1602 20.1602 21.7081 21.7081 22.1730 22.1730 23.6948 23.6948 25.5569 25.5569 26.8101 26.8101 27.7011 27.7011 27.9904 27.9904 k = 0.4914 0.4914-0.0000 ( 2216 PWs) bands (ev): -0.6341 -0.6341 -0.6338 -0.6338 0.3555 0.3555 0.3830 0.3830 0.4182 0.4182 7.4102 7.4102 10.9543 10.9543 11.0973 11.0973 12.1265 12.1265 13.4608 13.4608 14.6102 14.6102 14.6986 14.6986 15.0089 15.0089 16.4057 16.4057 16.4901 16.4901 16.8235 16.8235 17.3121 17.3121 18.3950 18.3950 18.5017 18.5017 18.9562 18.9562 19.4015 19.4015 20.1587 20.1587 21.7081 21.7081 22.1730 22.1730 23.6934 23.6934 25.5577 25.5577 26.8010 26.8010 27.7080 27.7080 27.9956 27.9956 k = 0.4828 0.4828-0.0000 ( 2206 PWs) bands (ev): -0.6342 -0.6342 -0.6338 -0.6338 0.3556 0.3556 0.3830 0.3830 0.4180 0.4180 7.3981 7.3981 10.9627 10.9627 11.1060 11.1060 12.1266 12.1266 13.4631 13.4631 14.6081 14.6081 14.6966 14.6966 15.0096 15.0096 16.4015 16.4015 16.4906 16.4906 16.8202 16.8202 17.3097 17.3097 18.4010 18.4010 18.5090 18.5090 18.9671 18.9671 19.4009 19.4009 20.1542 20.1542 21.7082 21.7082 22.1729 22.1729 23.6892 23.6892 25.5601 25.5601 26.7755 26.7755 27.7249 27.7249 28.0135 28.0135 k = 0.4741 0.4741-0.0000 ( 2206 PWs) bands (ev): -0.6343 -0.6343 -0.6337 -0.6337 0.3557 0.3557 0.3829 0.3829 0.4178 0.4178 7.3782 7.3782 10.9765 10.9765 11.1203 11.1203 12.1268 12.1268 13.4669 13.4669 14.6041 14.6041 14.6941 14.6941 15.0108 15.0108 16.3943 16.3943 16.4910 16.4910 16.8153 16.8153 17.3057 17.3057 18.4109 18.4109 18.5209 18.5209 18.9849 18.9849 19.3999 19.3999 20.1465 20.1465 21.7085 21.7085 22.1730 22.1730 23.6823 23.6823 25.5641 25.5641 26.7381 26.7381 27.7417 27.7417 28.0495 28.0495 k = 0.4655 0.4655-0.0000 ( 2206 PWs) bands (ev): -0.6344 -0.6344 -0.6337 -0.6337 0.3559 0.3559 0.3827 0.3827 0.4174 0.4174 7.3508 7.3508 10.9954 10.9954 11.1398 11.1398 12.1274 12.1274 13.4721 13.4721 14.5976 14.5976 14.6919 14.6919 15.0125 15.0125 16.3840 16.3840 16.4910 16.4910 16.8097 16.8097 17.3004 17.3004 18.4249 18.4249 18.5370 18.5370 19.0090 19.0090 19.3986 19.3986 20.1356 20.1356 21.7090 21.7090 22.1732 22.1732 23.6726 23.6726 25.5695 25.5695 26.6939 26.6939 27.7491 27.7491 28.1077 28.1077 k = 0.4569 0.4569-0.0000 ( 2218 PWs) bands (ev): -0.6346 -0.6346 -0.6336 -0.6336 0.3561 0.3561 0.3826 0.3826 0.4170 0.4170 7.3163 7.3163 11.0190 11.0190 11.1639 11.1639 12.1289 12.1289 13.4789 13.4789 14.5883 14.5883 14.6909 14.6909 15.0149 15.0149 16.3702 16.3702 16.4900 16.4900 16.8043 16.8043 17.2940 17.2940 18.4428 18.4428 18.5569 18.5569 19.0387 19.0387 19.3973 19.3973 20.1212 20.1212 21.7101 21.7101 22.1737 22.1737 23.6603 23.6603 25.5763 25.5763 26.6472 26.6472 27.7436 27.7436 28.1869 28.1869 k = 0.4483 0.4483-0.0000 ( 2218 PWs) bands (ev): -0.6349 -0.6349 -0.6336 -0.6336 0.3563 0.3563 0.3824 0.3824 0.4165 0.4165 7.2752 7.2752 11.0468 11.0468 11.1920 11.1920 12.1317 12.1317 13.4870 13.4870 14.5763 14.5763 14.6916 14.6916 15.0180 15.0180 16.3525 16.3525 16.4877 16.4877 16.8004 16.8004 17.2871 17.2871 18.4647 18.4647 18.5799 18.5799 19.0731 19.0731 19.3962 19.3962 20.1033 20.1033 21.7119 21.7119 22.1748 22.1748 23.6453 23.6453 25.5844 25.5844 26.6015 26.6015 27.7262 27.7262 28.2820 28.2820 k = 0.4397 0.4397-0.0000 ( 2216 PWs) bands (ev): -0.6352 -0.6352 -0.6335 -0.6335 0.3565 0.3565 0.3821 0.3821 0.4159 0.4159 7.2281 7.2281 11.0785 11.0785 11.2231 11.2231 12.1366 12.1366 13.4966 13.4966 14.5621 14.5621 14.6942 14.6942 15.0218 15.0218 16.3303 16.3303 16.4838 16.4838 16.7988 16.7988 17.2802 17.2802 18.4905 18.4905 18.6052 18.6052 19.1111 19.1111 19.3958 19.3958 20.0819 20.0819 21.7145 21.7145 22.1764 22.1764 23.6277 23.6277 25.5937 25.5937 26.5592 26.5592 27.6987 27.6987 28.3866 28.3866 k = 0.4310 0.4310-0.0000 ( 2216 PWs) bands (ev): -0.6355 -0.6355 -0.6334 -0.6334 0.3568 0.3568 0.3818 0.3818 0.4152 0.4152 7.1754 7.1754 11.1130 11.1130 11.2563 11.2563 12.1445 12.1445 13.5074 13.5074 14.5465 14.5465 14.6985 14.6985 15.0266 15.0266 16.3033 16.3033 16.4781 16.4781 16.8002 16.8002 17.2737 17.2737 18.5200 18.5200 18.6321 18.6321 19.1515 19.1515 19.3967 19.3967 20.0570 20.0570 21.7182 21.7182 22.1788 22.1788 23.6075 23.6075 25.6044 25.6044 26.5221 26.5221 27.6624 27.6624 28.4211 28.4211 k = 0.4224 0.4224-0.0000 ( 2216 PWs) bands (ev): -0.6359 -0.6359 -0.6334 -0.6334 0.3571 0.3571 0.3815 0.3815 0.4144 0.4144 7.1178 7.1178 11.1493 11.1493 11.2910 11.2910 12.1565 12.1565 13.5196 13.5196 14.5304 14.5304 14.7044 14.7044 15.0323 15.0323 16.2714 16.2714 16.4706 16.4706 16.8049 16.8049 17.2683 17.2683 18.5529 18.5529 18.6596 18.6596 19.1923 19.1923 19.4001 19.4001 20.0290 20.0290 21.7229 21.7229 22.1821 22.1821 23.5849 23.5849 25.6164 25.6164 26.4913 26.4913 27.6175 27.6175 28.2851 28.2851 k = 0.4138 0.4138-0.0000 ( 2224 PWs) bands (ev): -0.6364 -0.6364 -0.6333 -0.6333 0.3574 0.3574 0.3812 0.3812 0.4135 0.4135 7.0558 7.0558 11.1854 11.1854 11.3270 11.3270 12.1740 12.1740 13.5330 13.5330 14.5147 14.5147 14.7115 14.7115 15.0392 15.0392 16.2347 16.2347 16.4614 16.4614 16.8128 16.8128 17.2646 17.2646 18.5891 18.5891 18.6869 18.6869 19.2307 19.2307 19.4081 19.4081 19.9985 19.9985 21.7288 21.7288 22.1864 22.1864 23.5599 23.5599 25.6301 25.6301 26.4675 26.4675 27.5640 27.5640 28.1408 28.1408 k = 0.4052 0.4052-0.0000 ( 2224 PWs) bands (ev): -0.6368 -0.6368 -0.6333 -0.6333 0.3577 0.3577 0.3808 0.3808 0.4125 0.4125 6.9901 6.9901 11.2180 11.2180 11.3657 11.3657 12.1980 12.1980 13.5476 13.5476 14.5002 14.5002 14.7198 14.7198 15.0474 15.0474 16.1935 16.1935 16.4505 16.4505 16.8238 16.8238 17.2634 17.2634 18.6280 18.6280 18.7132 18.7132 19.2630 19.2630 19.4235 19.4235 19.9664 19.9664 21.7357 21.7357 22.1916 22.1916 23.5325 23.5325 25.6459 25.6459 26.4509 26.4509 27.5010 27.5010 27.9967 27.9967 k = 0.3966 0.3966-0.0000 ( 2228 PWs) bands (ev): -0.6374 -0.6374 -0.6332 -0.6332 0.3580 0.3580 0.3804 0.3804 0.4115 0.4115 6.9210 6.9210 11.2432 11.2432 11.4093 11.4093 12.2298 12.2298 13.5632 13.5632 14.4877 14.4877 14.7290 14.7290 15.0569 15.0569 16.1483 16.1483 16.4378 16.4378 16.8373 16.8373 17.2651 17.2651 18.6688 18.6688 18.7382 18.7382 19.2854 19.2854 19.4489 19.4489 19.9342 19.9342 21.7435 21.7435 22.1980 22.1980 23.5028 23.5028 25.6643 25.6643 26.4414 26.4414 27.4271 27.4271 27.8555 27.8555 k = 0.3879 0.3879-0.0000 ( 2220 PWs) bands (ev): -0.6379 -0.6379 -0.6332 -0.6332 0.3582 0.3582 0.3800 0.3800 0.4103 0.4103 6.8492 6.8492 11.2576 11.2576 11.4599 11.4599 12.2699 12.2699 13.5799 13.5799 14.4778 14.4778 14.7391 14.7391 15.0680 15.0680 16.0996 16.0996 16.4234 16.4234 16.8531 16.8531 17.2703 17.2703 18.7095 18.7095 18.7628 18.7628 19.2972 19.2972 19.4831 19.4831 19.9041 19.9041 21.7518 21.7518 22.2052 22.2052 23.4710 23.4710 25.6859 25.6859 26.4389 26.4389 27.3405 27.3405 27.7198 27.7198 k = 0.3793 0.3793-0.0000 ( 2220 PWs) bands (ev): -0.6385 -0.6385 -0.6333 -0.6333 0.3585 0.3585 0.3795 0.3795 0.4091 0.4091 6.7750 6.7750 11.2601 11.2601 11.5181 11.5181 12.3184 12.3184 13.5976 13.5976 14.4708 14.4708 14.7499 14.7499 15.0807 15.0807 16.0480 16.0480 16.4071 16.4071 16.8709 16.8709 17.2793 17.2793 18.7439 18.7439 18.7919 18.7919 19.3003 19.3003 19.5217 19.5217 19.8793 19.8793 21.7605 21.7605 22.2133 22.2133 23.4370 23.4370 25.7113 25.7113 26.4427 26.4427 27.2392 27.2392 27.5921 27.5921 k = 0.3707 0.3707-0.0000 ( 2222 PWs) bands (ev): -0.6392 -0.6392 -0.6333 -0.6333 0.3588 0.3588 0.3790 0.3790 0.4078 0.4078 6.6989 6.6989 11.2512 11.2512 11.5832 11.5832 12.3749 12.3749 13.6161 13.6161 14.4673 14.4673 14.7615 14.7615 15.0952 15.0952 15.9939 15.9939 16.3889 16.3889 16.8904 16.8904 17.2923 17.2923 18.7648 18.7648 18.8319 18.8319 19.2966 19.2966 19.5595 19.5595 19.8639 19.8639 21.7693 21.7693 22.2220 22.2220 23.4009 23.4009 25.7410 25.7410 26.4521 26.4521 27.1232 27.1232 27.4732 27.4732 k = 0.3621 0.3621-0.0000 ( 2226 PWs) bands (ev): -0.6398 -0.6398 -0.6334 -0.6334 0.3590 0.3590 0.3785 0.3785 0.4064 0.4064 6.6213 6.6213 11.2321 11.2321 11.6544 11.6544 12.4386 12.4386 13.6354 13.6354 14.4674 14.4674 14.7737 14.7737 15.1116 15.1116 15.9379 15.9379 16.3688 16.3688 16.9115 16.9115 17.3094 17.3094 18.7743 18.7743 18.8798 18.8798 19.2865 19.2865 19.5918 19.5918 19.8625 19.8625 21.7777 21.7777 22.2311 22.2311 23.3629 23.3629 25.7756 25.7756 26.4659 26.4659 26.9948 26.9948 27.3619 27.3619 k = 0.3534 0.3534-0.0000 ( 2220 PWs) bands (ev): -0.6406 -0.6406 -0.6336 -0.6336 0.3592 0.3592 0.3780 0.3780 0.4050 0.4050 6.5426 6.5426 11.2042 11.2042 11.7311 11.7311 12.5086 12.5086 13.6554 13.6554 14.4715 14.4715 14.7865 14.7865 15.1301 15.1301 15.8804 15.8804 16.3470 16.3470 16.9341 16.9341 17.3305 17.3305 18.7760 18.7760 18.9313 18.9313 19.2705 19.2705 19.6164 19.6164 19.8782 19.8782 21.7856 21.7856 22.2403 22.2403 23.3230 23.3230 25.8154 25.8154 26.4818 26.4818 26.8593 26.8593 27.2554 27.2554 k = 0.3448 0.3448-0.0000 ( 2232 PWs) bands (ev): -0.6413 -0.6413 -0.6338 -0.6338 0.3593 0.3593 0.3774 0.3774 0.4035 0.4035 6.4629 6.4629 11.1687 11.1687 11.8127 11.8127 12.5838 12.5838 13.6760 13.6760 14.4794 14.4794 14.7997 14.7997 15.1508 15.1508 15.8216 15.8216 16.3235 16.3235 16.9581 16.9581 17.3554 17.3554 18.7710 18.7710 18.9845 18.9845 19.2489 19.2489 19.6345 19.6345 19.9096 19.9096 21.7927 21.7927 22.2494 22.2494 23.2813 23.2813 25.8604 25.8604 26.4917 26.4917 26.7277 26.7277 27.1508 27.1508 k = 0.3362 0.3362-0.0000 ( 2230 PWs) bands (ev): -0.6421 -0.6421 -0.6341 -0.6341 0.3594 0.3594 0.3768 0.3768 0.4019 0.4019 6.3827 6.3827 11.1267 11.1267 11.8990 11.8990 12.6632 12.6632 13.6972 13.6972 14.4911 14.4911 14.8135 14.8135 15.1738 15.1738 15.7622 15.7622 16.2987 16.2987 16.9836 16.9836 17.3839 17.3839 18.7597 18.7597 19.0383 19.0383 19.2234 19.2234 19.6501 19.6501 19.9526 19.9526 21.7989 21.7989 22.2579 22.2579 23.2380 23.2380 25.9103 25.9103 26.4593 26.4593 26.6383 26.6383 27.0463 27.0463 k = 0.3276 0.3276-0.0000 ( 2230 PWs) bands (ev): -0.6429 -0.6429 -0.6344 -0.6344 0.3594 0.3594 0.3762 0.3762 0.4003 0.4003 6.3023 6.3023 11.0793 11.0793 11.9897 11.9897 12.7459 12.7459 13.7189 13.7189 14.5067 14.5067 14.8278 14.8278 15.1991 15.1991 15.7022 15.7022 16.2726 16.2726 17.0104 17.0104 17.4157 17.4157 18.7427 18.7427 19.0904 19.0904 19.1970 19.1970 19.6664 19.6664 20.0028 20.0028 21.8039 21.8039 22.2656 22.2656 23.1930 23.1930 25.9643 25.9643 26.3467 26.3467 26.6305 26.6305 26.9415 26.9415 k = 0.3190 0.3190-0.0000 ( 2236 PWs) bands (ev): -0.6437 -0.6437 -0.6348 -0.6348 0.3594 0.3594 0.3756 0.3756 0.3986 0.3986 6.2218 6.2218 11.0272 11.0272 12.0844 12.0844 12.8310 12.8310 13.7409 13.7409 14.5258 14.5258 14.8425 14.8425 15.2269 15.2269 15.6419 15.6419 16.2456 16.2456 17.0385 17.0385 17.4504 17.4504 18.7205 18.7205 19.1281 19.1281 19.1835 19.1835 19.6852 19.6852 20.0572 20.0572 21.8077 21.8077 22.2721 22.2721 23.1466 23.1466 26.0194 26.0194 26.2035 26.2035 26.6542 26.6542 26.8394 26.8394 k = 0.3103 0.3103-0.0000 ( 2234 PWs) bands (ev): -0.6446 -0.6446 -0.6352 -0.6352 0.3593 0.3593 0.3750 0.3750 0.3968 0.3968 6.1414 6.1414 10.9715 10.9715 12.1831 12.1831 12.9178 12.9178 13.7633 13.7633 14.5484 14.5484 14.8577 14.8577 15.2572 15.2572 15.5818 15.5818 16.2179 16.2179 17.0676 17.0676 17.4878 17.4878 18.6940 18.6940 19.1187 19.1187 19.2166 19.2166 19.7072 19.7072 20.1139 20.1139 21.8103 21.8103 22.2772 22.2772 23.0989 23.0989 26.0251 26.0251 26.1031 26.1031 26.6587 26.6587 26.7680 26.7680 k = 0.3017 0.3017-0.0000 ( 2234 PWs) bands (ev): -0.6454 -0.6454 -0.6358 -0.6358 0.3591 0.3591 0.3743 0.3743 0.3950 0.3950 6.0615 6.0615 10.9127 10.9127 12.2854 12.2854 13.0055 13.0055 13.7860 13.7860 14.5741 14.5741 14.8732 14.8732 15.2900 15.2900 15.5220 15.5220 16.1899 16.1899 17.0977 17.0977 17.5276 17.5276 18.6641 18.6641 19.0931 19.0931 19.2654 19.2654 19.7327 19.7327 20.1719 20.1719 21.8115 21.8115 22.2808 22.2808 23.0499 23.0499 25.8808 25.8808 26.1484 26.1484 26.5807 26.5807 26.7875 26.7875 k = 0.2931 0.2931-0.0000 ( 2238 PWs) bands (ev): -0.6463 -0.6463 -0.6364 -0.6364 0.3589 0.3589 0.3736 0.3736 0.3932 0.3932 5.9822 5.9822 10.8514 10.8514 12.3913 12.3913 13.0935 13.0935 13.8089 13.8089 14.6025 14.6025 14.8891 14.8891 15.3251 15.3251 15.4631 15.4631 16.1618 16.1618 17.1285 17.1285 17.5695 17.5695 18.6323 18.6323 19.0668 19.0668 19.3142 19.3142 19.7620 19.7620 20.2303 20.2303 21.8114 21.8114 22.2826 22.2826 22.9999 22.9999 25.7238 25.7238 26.1973 26.1973 26.4789 26.4789 26.8440 26.8440 k = 0.2845 0.2845-0.0000 ( 2230 PWs) bands (ev): -0.6472 -0.6472 -0.6370 -0.6370 0.3586 0.3586 0.3728 0.3728 0.3913 0.3913 5.9037 5.9037 10.7883 10.7883 12.5004 12.5004 13.1813 13.1813 13.8320 13.8320 14.6334 14.6334 14.9052 14.9052 15.3605 15.3605 15.4074 15.4074 16.1339 16.1339 17.1596 17.1596 17.6133 17.6133 18.6001 18.6001 19.0420 19.0420 19.3600 19.3600 19.7955 19.7955 20.2887 20.2887 21.8100 21.8100 22.2826 22.2826 22.9490 22.9490 25.5654 25.5654 26.2139 26.2139 26.4002 26.4002 26.9143 26.9143 k = 0.2759 0.2759-0.0000 ( 2226 PWs) bands (ev): -0.6482 -0.6482 -0.6378 -0.6378 0.3583 0.3583 0.3720 0.3720 0.3893 0.3893 5.8261 5.8261 10.7238 10.7238 12.6125 12.6125 13.2682 13.2682 13.8554 13.8554 14.6663 14.6663 14.9215 14.9215 15.3425 15.3425 15.4090 15.4090 16.1065 16.1065 17.1910 17.1910 17.6587 17.6587 18.5690 18.5690 19.0189 19.0189 19.4016 19.4016 19.8336 19.8336 20.3468 20.3468 21.8072 21.8072 22.2806 22.2806 22.8974 22.8974 25.4071 25.4071 26.1497 26.1497 26.3942 26.3942 26.9955 26.9955 k = 0.2672 0.2672-0.0000 ( 2233 PWs) bands (ev): -0.6491 -0.6491 -0.6386 -0.6386 0.3579 0.3579 0.3712 0.3712 0.3874 0.3874 5.7496 5.7496 10.6584 10.6584 12.7274 12.7274 13.3537 13.3537 13.8790 13.8790 14.7010 14.7010 14.9377 14.9377 15.2883 15.2883 15.4510 15.4510 16.0799 16.0799 17.2223 17.2223 17.7054 17.7054 18.5402 18.5402 18.9977 18.9977 19.4380 19.4380 19.8764 19.8764 20.4041 20.4041 21.8032 21.8032 22.2766 22.2766 22.8453 22.8453 25.2495 25.2495 26.0358 26.0358 26.4291 26.4291 27.0866 27.0866 k = 0.2586 0.2586-0.0000 ( 2233 PWs) bands (ev): -0.6501 -0.6501 -0.6395 -0.6395 0.3575 0.3575 0.3704 0.3704 0.3854 0.3854 5.6743 5.6743 10.5924 10.5924 12.8448 12.8448 13.4372 13.4372 13.9030 13.9030 14.7369 14.7369 14.9531 14.9531 15.2350 15.2350 15.4970 15.4970 16.0544 16.0544 17.2535 17.2535 17.7534 17.7534 18.5150 18.5150 18.9783 18.9783 19.4686 19.4686 19.9241 19.9241 20.4606 20.4606 21.7981 21.7981 22.2706 22.2706 22.7930 22.7930 25.0929 25.0929 25.9068 25.9068 26.4702 26.4702 27.1867 27.1867 k = 0.2500 0.2500-0.0000 ( 2241 PWs) bands (ev): -0.6510 -0.6510 -0.6404 -0.6404 0.3570 0.3570 0.3695 0.3695 0.3833 0.3833 5.6004 5.6004 10.5263 10.5263 12.9642 12.9642 13.5180 13.5180 13.9275 13.9275 14.7738 14.7738 14.9666 14.9666 15.1853 15.1853 15.5458 15.5458 16.0303 16.0303 17.2843 17.2843 17.8022 17.8022 18.4945 18.4945 18.9607 18.9607 19.4933 19.4933 19.9764 19.9764 20.5159 20.5159 21.7917 21.7917 22.2625 22.2625 22.7408 22.7408 24.9376 24.9376 25.7710 25.7710 26.5090 26.5090 27.2942 27.2942 k = 0.2414 0.2414-0.0000 ( 2233 PWs) bands (ev): -0.6520 -0.6520 -0.6414 -0.6414 0.3564 0.3564 0.3686 0.3686 0.3813 0.3813 5.5280 5.5280 10.4605 10.4605 13.0852 13.0852 13.5955 13.5955 13.9527 13.9527 14.8113 14.8113 14.9749 14.9749 15.1427 15.1427 15.5972 15.5972 16.0081 16.0081 17.3150 17.3150 17.8515 17.8515 18.4793 18.4793 18.9449 18.9449 19.5122 19.5122 20.0326 20.0326 20.5699 20.5699 21.7843 21.7843 22.2522 22.2522 22.6889 22.6889 24.7840 24.7840 25.6309 25.6309 26.5434 26.5434 27.4073 27.4073 k = 0.2328 0.2328-0.0000 ( 2233 PWs) bands (ev): -0.6530 -0.6530 -0.6425 -0.6425 0.3559 0.3559 0.3676 0.3676 0.3792 0.3792 5.4572 5.4572 10.3951 10.3951 13.2074 13.2074 13.6690 13.6690 13.9790 13.9790 14.8489 14.8489 14.9715 14.9715 15.1138 15.1138 15.6508 15.6508 15.9882 15.9882 17.3455 17.3455 17.9011 17.9011 18.4698 18.4698 18.9308 18.9308 19.5258 19.5258 20.0922 20.0922 20.6225 20.6225 21.7759 21.7759 22.2396 22.2396 22.6378 22.6378 24.6322 24.6322 25.4877 25.4877 26.5727 26.5727 27.5236 27.5236 k = 0.2241 0.2241-0.0000 ( 2237 PWs) bands (ev): -0.6539 -0.6539 -0.6436 -0.6436 0.3552 0.3552 0.3667 0.3667 0.3771 0.3771 5.3881 5.3881 10.3304 10.3304 13.3299 13.3299 13.7377 13.7377 14.0070 14.0070 14.8861 14.8861 14.9504 14.9504 15.1052 15.1052 15.7064 15.7064 15.9715 15.9715 17.3762 17.3762 17.9505 17.9505 18.4663 18.4663 18.9186 18.9186 19.5345 19.5345 20.1545 20.1545 20.6734 20.6734 21.7667 21.7667 22.2246 22.2246 22.5878 22.5878 24.4825 24.4825 25.3420 25.3420 26.5963 26.5963 27.6404 27.6404 k = 0.2155 0.2155-0.0000 ( 2237 PWs) bands (ev): -0.6549 -0.6549 -0.6448 -0.6448 0.3546 0.3546 0.3656 0.3656 0.3751 0.3751 5.3208 5.3208 10.2668 10.2668 13.4520 13.4520 13.8007 13.8007 14.0373 14.0373 14.9105 14.9105 14.9274 14.9274 15.1131 15.1131 15.7631 15.7631 15.9590 15.9590 17.4075 17.4075 17.9992 17.9992 18.4686 18.4686 18.9086 18.9086 19.5385 19.5385 20.2187 20.2187 20.7224 20.7224 21.7567 21.7567 22.2069 22.2069 22.5396 22.5396 24.3351 24.3351 25.1945 25.1945 26.6139 26.6139 27.7543 27.7543 k = 0.2069 0.2069-0.0000 ( 2239 PWs) bands (ev): -0.6558 -0.6558 -0.6461 -0.6461 0.3539 0.3539 0.3646 0.3646 0.3730 0.3730 5.2555 5.2555 10.2044 10.2044 13.5723 13.5723 13.8572 13.8572 14.0712 14.0712 14.8717 14.8717 14.9603 14.9603 15.1301 15.1301 15.8191 15.8191 15.9533 15.9533 17.4398 17.4398 18.0466 18.0466 18.4765 18.4765 18.9009 18.9009 19.5384 19.5384 20.2844 20.2844 20.7695 20.7695 21.7462 21.7462 22.1863 22.1863 22.4936 22.4936 24.1903 24.1903 25.0456 25.0456 26.6252 26.6252 27.8613 27.8613 k = 0.1983 0.1983-0.0000 ( 2239 PWs) bands (ev): -0.6568 -0.6568 -0.6473 -0.6473 0.3532 0.3532 0.3635 0.3635 0.3709 0.3709 5.1921 5.1921 10.1434 10.1434 13.6890 13.6890 13.9065 13.9065 14.1099 14.1099 14.8281 14.8281 14.9944 14.9944 15.1525 15.1525 15.8680 15.8680 15.9614 15.9614 17.4735 17.4735 18.0922 18.0922 18.4894 18.4894 18.8958 18.8958 19.5343 19.5343 20.3508 20.3508 20.8143 20.8143 21.7353 21.7353 22.1626 22.1626 22.4504 22.4504 24.0483 24.0483 24.8959 24.8959 26.6295 26.6295 27.9567 27.9567 k = 0.1897 0.1897-0.0000 ( 2237 PWs) bands (ev): -0.6577 -0.6577 -0.6486 -0.6486 0.3525 0.3525 0.3625 0.3625 0.3689 0.3689 5.1309 5.1309 10.0840 10.0840 13.7994 13.7994 13.9487 13.9487 14.1550 14.1550 14.7841 14.7841 15.0261 15.0261 15.1789 15.1789 15.8978 15.8978 15.9957 15.9957 17.5091 17.5091 18.1353 18.1353 18.5067 18.5067 18.8938 18.8938 19.5267 19.5267 20.4177 20.4177 20.8568 20.8568 21.7243 21.7243 22.1355 22.1355 22.4102 22.4102 23.9095 23.9095 24.7459 24.7459 26.6262 26.6262 28.0353 28.0353 k = 0.1810 0.1810-0.0000 ( 2229 PWs) bands (ev): -0.6586 -0.6586 -0.6500 -0.6500 0.3517 0.3517 0.3614 0.3614 0.3668 0.3668 5.0719 5.0719 10.0264 10.0264 13.8996 13.8996 13.9844 13.9844 14.2083 14.2083 14.7410 14.7410 15.0544 15.0544 15.2097 15.2097 15.9133 15.9133 16.0521 16.0521 17.5469 17.5469 18.1752 18.1752 18.5276 18.5276 18.8952 18.8952 19.5156 19.5156 20.4845 20.4845 20.8966 20.8966 21.7133 21.7133 22.1054 22.1054 22.3733 22.3733 23.7741 23.7741 24.5962 24.5962 26.6145 26.6145 28.0925 28.0925 k = 0.1724 0.1724-0.0000 ( 2229 PWs) bands (ev): -0.6595 -0.6595 -0.6513 -0.6513 0.3510 0.3510 0.3603 0.3603 0.3648 0.3648 5.0150 5.0150 9.9707 9.9707 13.9854 13.9854 14.0150 14.0150 14.2717 14.2717 14.6990 14.6990 15.0782 15.0782 15.2456 15.2456 15.9279 15.9279 16.1179 16.1179 17.5870 17.5870 18.2115 18.2115 18.5511 18.5511 18.9004 18.9004 19.5013 19.5013 20.5508 20.5508 20.9337 20.9337 21.7025 21.7025 22.0726 22.0726 22.3394 22.3394 23.6426 23.6426 24.4474 24.4474 26.5936 26.5936 28.1256 28.1256 k = 0.1638 0.1638-0.0000 ( 2225 PWs) bands (ev): -0.6604 -0.6604 -0.6527 -0.6527 0.3502 0.3502 0.3592 0.3592 0.3628 0.3628 4.9606 4.9606 9.9171 9.9171 14.0415 14.0415 14.0541 14.0541 14.3451 14.3451 14.6586 14.6586 15.0967 15.0967 15.2878 15.2878 15.9467 15.9467 16.1881 16.1881 17.6295 17.6295 18.2436 18.2436 18.5762 18.5762 18.9098 18.9098 19.4841 19.4841 20.6163 20.6163 20.9677 20.9677 21.6923 21.6923 22.0378 22.0378 22.3080 22.3080 23.5155 23.5155 24.3001 24.3001 26.5628 26.5628 28.1355 28.1355 k = 0.1552 0.1552-0.0000 ( 2225 PWs) bands (ev): -0.6612 -0.6612 -0.6541 -0.6541 0.3495 0.3495 0.3581 0.3581 0.3609 0.3609 4.9085 4.9085 9.8657 9.8657 14.0650 14.0650 14.1065 14.1065 14.4247 14.4247 14.6204 14.6204 15.1098 15.1098 15.3372 15.3372 15.9713 15.9713 16.2611 16.2611 17.6744 17.6744 18.2713 18.2713 18.6020 18.6020 18.9232 18.9232 19.4642 19.4642 20.6804 20.6804 20.9985 20.9985 21.6828 21.6828 22.0019 22.0019 22.2784 22.2784 23.3933 23.3933 24.1549 24.1549 26.5214 26.5214 28.1261 28.1261 k = 0.1466 0.1466-0.0000 ( 2221 PWs) bands (ev): -0.6621 -0.6621 -0.6554 -0.6554 0.3487 0.3487 0.3570 0.3570 0.3591 0.3591 4.8589 4.8589 9.8165 9.8165 14.0863 14.0863 14.1460 14.1460 14.5029 14.5029 14.5868 14.5868 15.1177 15.1177 15.3948 15.3948 16.0018 16.0018 16.3364 16.3364 17.7212 17.7212 18.2944 18.2944 18.6279 18.6279 18.9404 18.9404 19.4417 19.4417 20.7428 20.7428 21.0260 21.0260 21.6743 21.6743 21.9657 21.9657 22.2496 22.2496 23.2767 23.2767 24.0125 24.0125 26.4690 26.4690 28.1034 28.1034 k = 0.1379 0.1379-0.0000 ( 2215 PWs) bands (ev): -0.6628 -0.6628 -0.6568 -0.6568 0.3479 0.3479 0.3558 0.3558 0.3575 0.3575 4.8118 4.8118 9.7697 9.7697 14.1057 14.1057 14.1760 14.1760 14.5354 14.5354 14.5972 14.5972 15.1208 15.1208 15.4611 15.4611 16.0380 16.0380 16.4135 16.4135 17.7698 17.7698 18.3130 18.3130 18.6533 18.6533 18.9608 18.9608 19.4171 19.4171 20.8028 20.8028 21.0502 21.0502 21.6671 21.6671 21.9303 21.9303 22.2207 22.2207 23.1667 23.1667 23.8737 23.8737 26.4058 26.4058 28.0732 28.0732 k = 0.1293 0.1293-0.0000 ( 2215 PWs) bands (ev): -0.6636 -0.6636 -0.6581 -0.6581 0.3471 0.3471 0.3544 0.3544 0.3561 0.3561 4.7672 4.7672 9.7254 9.7254 14.1235 14.1235 14.1989 14.1989 14.5079 14.5079 14.6629 14.6629 15.1201 15.1201 15.5362 15.5362 16.0790 16.0790 16.4923 16.4923 17.8196 17.8196 18.3273 18.3273 18.6778 18.6778 18.9833 18.9833 19.3905 19.3905 20.8596 20.8596 21.0713 21.0713 21.6613 21.6613 21.8963 21.8963 22.1906 22.1906 23.0643 23.0643 23.7392 23.7392 26.3323 26.3323 28.0403 28.0403 k = 0.1207 0.1207-0.0000 ( 2215 PWs) bands (ev): -0.6643 -0.6643 -0.6594 -0.6594 0.3463 0.3463 0.3529 0.3529 0.3550 0.3550 4.7253 4.7253 9.6836 9.6836 14.1400 14.1400 14.2162 14.2162 14.4775 14.4775 14.7251 14.7251 15.1161 15.1161 15.6195 15.6195 16.1239 16.1239 16.5725 16.5725 17.8700 17.8700 18.3376 18.3376 18.7013 18.7013 19.0066 19.0066 19.3625 19.3625 20.9120 20.9120 21.0902 21.0902 21.6573 21.6573 21.8644 21.8644 22.1581 22.1581 22.9708 22.9708 23.6097 23.6097 26.2495 26.2495 28.0078 28.0078 k = 0.1121 0.1121-0.0000 ( 2215 PWs) bands (ev): -0.6650 -0.6650 -0.6606 -0.6606 0.3456 0.3456 0.3513 0.3513 0.3540 0.3540 4.6861 4.6861 9.6444 9.6444 14.1551 14.1551 14.2291 14.2291 14.4485 14.4485 14.7793 14.7793 15.1098 15.1098 15.7098 15.7098 16.1715 16.1715 16.6538 16.6538 17.9204 17.9204 18.3443 18.3443 18.7237 18.7237 19.0294 19.0294 19.3333 19.3333 20.9579 20.9579 21.1086 21.1086 21.6549 21.6549 21.8351 21.8351 22.1221 22.1221 22.8877 22.8877 23.4860 23.4860 26.1589 26.1589 27.9779 27.9779 k = 0.1034 0.1034-0.0000 ( 2215 PWs) bands (ev): -0.6656 -0.6656 -0.6618 -0.6618 0.3449 0.3449 0.3498 0.3498 0.3532 0.3532 4.6496 4.6496 9.6079 9.6079 14.1691 14.1691 14.2385 14.2385 14.4213 14.4213 14.8255 14.8255 15.1017 15.1017 15.8051 15.8051 16.2207 16.2207 16.7359 16.7359 17.9702 17.9702 18.3479 18.3479 18.7448 18.7448 19.0503 19.0503 19.3036 19.3036 20.9944 20.9944 21.1294 21.1294 21.6543 21.6543 21.8087 21.8087 22.0819 22.0819 22.8162 22.8162 23.3686 23.3686 26.0625 26.0625 27.9514 27.9514 k = 0.0948 0.0948-0.0000 ( 2215 PWs) bands (ev): -0.6662 -0.6662 -0.6630 -0.6630 0.3441 0.3441 0.3483 0.3483 0.3525 0.3525 4.6158 4.6158 9.5742 9.5742 14.1818 14.1818 14.2451 14.2451 14.3963 14.3963 14.8645 14.8645 15.0926 15.0926 15.9034 15.9034 16.2705 16.2705 16.8184 16.8184 18.0185 18.0185 18.3489 18.3489 18.7645 18.7645 19.0681 19.0681 19.2739 19.2739 21.0185 21.0185 21.1555 21.1555 21.6554 21.6554 21.7855 21.7855 22.0369 22.0369 22.7571 22.7571 23.2582 23.2582 25.9622 25.9622 27.9287 27.9287 k = 0.0862 0.0862-0.0000 ( 2215 PWs) bands (ev): -0.6668 -0.6668 -0.6640 -0.6640 0.3435 0.3435 0.3469 0.3469 0.3518 0.3518 4.5849 4.5849 9.5432 9.5432 14.1932 14.1932 14.2493 14.2493 14.3736 14.3736 14.8972 14.8972 15.0830 15.0830 16.0023 16.0023 16.3197 16.3197 16.9010 16.9010 18.0647 18.0647 18.3476 18.3476 18.7825 18.7825 19.0818 19.0818 19.2448 19.2448 21.0307 21.0307 21.1869 21.1869 21.6579 21.6579 21.7655 21.7655 21.9876 21.9876 22.7107 22.7107 23.1555 23.1555 25.8603 25.8603 27.9097 27.9097 k = 0.0776 0.0776-0.0000 ( 2223 PWs) bands (ev): -0.6673 -0.6673 -0.6650 -0.6650 0.3428 0.3428 0.3456 0.3456 0.3512 0.3512 4.5568 4.5568 9.5150 9.5150 14.2034 14.2034 14.2517 14.2517 14.3532 14.3532 14.9246 14.9246 15.0732 15.0732 16.0996 16.0996 16.3676 16.3676 16.9829 16.9829 18.1081 18.1081 18.3445 18.3445 18.7985 18.7985 19.0907 19.0907 19.2170 19.2170 21.0340 21.0340 21.2208 21.2208 21.6617 21.6617 21.7487 21.7487 21.9352 21.9352 22.6763 22.6763 23.0608 23.0608 25.7589 25.7589 27.8939 27.8939 k = 0.0690 0.0690-0.0000 ( 2221 PWs) bands (ev): -0.6678 -0.6678 -0.6659 -0.6659 0.3422 0.3422 0.3445 0.3445 0.3507 0.3507 4.5315 4.5315 9.4898 9.4898 14.2122 14.2122 14.2525 14.2525 14.3355 14.3355 14.9476 14.9476 15.0638 15.0638 16.1933 16.1933 16.4130 16.4130 17.0634 17.0634 18.1480 18.1480 18.3400 18.3400 18.8125 18.8125 19.0947 19.0947 19.1909 19.1909 21.0317 21.0317 21.2545 21.2545 21.6663 21.6663 21.7349 21.7349 21.8815 21.8815 22.6525 22.6525 22.9747 22.9747 25.6603 25.6603 27.8812 27.8812 k = 0.0603 0.0603-0.0000 ( 2217 PWs) bands (ev): -0.6682 -0.6682 -0.6668 -0.6668 0.3417 0.3417 0.3434 0.3434 0.3502 0.3502 4.5092 4.5092 9.4674 9.4674 14.2196 14.2196 14.2522 14.2522 14.3205 14.3205 14.9666 14.9666 15.0549 15.0549 16.2814 16.2814 16.4553 16.4553 17.1412 17.1412 18.1839 18.1839 18.3345 18.3345 18.8242 18.8242 19.0942 19.0942 19.1670 19.1670 21.0263 21.0263 21.2861 21.2861 21.6714 21.6714 21.7237 21.7237 21.8288 21.8288 22.6377 22.6377 22.8975 22.8975 25.5665 25.5665 27.8709 27.8709 k = 0.0517 0.0517-0.0000 ( 2217 PWs) bands (ev): -0.6685 -0.6685 -0.6675 -0.6675 0.3412 0.3412 0.3425 0.3425 0.3498 0.3498 4.4898 4.4898 9.4479 9.4479 14.2255 14.2255 14.2507 14.2507 14.3085 14.3085 14.9823 14.9823 15.0468 15.0468 16.3620 16.3620 16.4936 16.4936 17.2152 17.2152 18.2154 18.2154 18.3283 18.3283 18.8334 18.8334 19.0902 19.0902 19.1451 19.1451 21.0193 21.0193 21.3145 21.3145 21.6762 21.6762 21.7148 21.7148 21.7796 21.7796 22.6298 22.6298 22.8296 22.8296 25.4798 25.4798 27.8628 27.8628 k = 0.0431 0.0431-0.0000 ( 2227 PWs) bands (ev): -0.6688 -0.6688 -0.6681 -0.6681 0.3408 0.3408 0.3417 0.3417 0.3494 0.3494 4.4733 4.4733 9.4314 9.4314 14.2299 14.2299 14.2483 14.2483 14.2997 14.2997 14.9951 14.9951 15.0396 15.0396 16.4335 16.4335 16.5273 16.5273 17.2834 17.2834 18.2421 18.2421 18.3218 18.3218 18.8402 18.8402 19.0844 19.0844 19.1250 19.1250 21.0119 21.0119 21.3391 21.3391 21.6793 21.6793 21.7072 21.7072 21.7377 21.7377 22.6270 22.6270 22.7714 22.7714 25.4022 25.4022 27.8564 27.8564 k = 0.0345 0.0345-0.0000 ( 2229 PWs) bands (ev): -0.6691 -0.6691 -0.6686 -0.6686 0.3404 0.3404 0.3410 0.3410 0.3492 0.3492 4.4599 4.4599 9.4179 9.4179 14.2330 14.2330 14.2453 14.2453 14.2938 14.2938 15.0052 15.0052 15.0336 15.0336 16.4945 16.4945 16.5558 16.5558 17.3440 17.3440 18.2639 18.2639 18.3156 18.3156 18.8447 18.8447 19.0784 19.0784 19.1067 19.1067 21.0049 21.0049 21.3596 21.3596 21.6729 21.6729 21.6993 21.6993 21.7132 21.7132 22.6276 22.6276 22.7231 22.7231 25.3355 25.3355 27.8516 27.8516 k = 0.0259 0.0259-0.0000 ( 2231 PWs) bands (ev): -0.6693 -0.6693 -0.6690 -0.6690 0.3402 0.3402 0.3405 0.3405 0.3490 0.3490 4.4493 4.4493 9.4073 9.4073 14.2349 14.2349 14.2420 14.2420 14.2903 14.2903 15.0129 15.0129 15.0288 15.0288 16.5434 16.5434 16.5785 16.5785 17.3946 17.3946 18.2806 18.2806 18.3100 18.3100 18.8474 18.8474 19.0733 19.0733 19.0907 19.0907 20.9989 20.9989 21.3756 21.3756 21.6506 21.6506 21.6981 21.6981 21.7061 21.7061 22.6300 22.6300 22.6851 22.6851 25.2816 25.2816 27.8480 27.8481 k = 0.0172 0.0172-0.0000 ( 2219 PWs) bands (ev): -0.6694 -0.6694 -0.6693 -0.6693 0.3400 0.3400 0.3401 0.3401 0.3488 0.3488 4.4419 4.4419 9.3998 9.3998 14.2360 14.2360 14.2393 14.2393 14.2885 14.2885 15.0183 15.0183 15.0254 15.0254 16.5792 16.5792 16.5950 16.5950 17.4328 17.4328 18.2925 18.2925 18.3056 18.3056 18.8488 18.8488 19.0696 19.0696 19.0779 19.0779 20.9944 20.9944 21.3871 21.3871 21.6295 21.6295 21.6999 21.6999 21.7035 21.7035 22.6327 22.6327 22.6577 22.6577 25.2418 25.2418 27.8457 27.8457 k = 0.0086 0.0086-0.0000 ( 2205 PWs) bands (ev): -0.6695 -0.6695 -0.6695 -0.6695 0.3399 0.3399 0.3399 0.3399 0.3487 0.3487 4.4374 4.4374 9.3953 9.3953 14.2366 14.2366 14.2374 14.2374 14.2878 14.2878 15.0215 15.0215 15.0233 15.0233 16.6011 16.6011 16.6051 16.6051 17.4567 17.4567 18.2995 18.2995 18.3028 18.3028 18.8493 18.8493 19.0674 19.0674 19.0696 19.0696 20.9916 20.9916 21.3940 21.3940 21.6159 21.6159 21.7015 21.7015 21.7024 21.7024 22.6348 22.6348 22.6411 22.6411 25.2175 25.2175 27.8442 27.8447 k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): -0.6695 -0.6695 -0.6695 -0.6695 0.3398 0.3398 0.3398 0.3398 0.3487 0.3487 4.4359 4.4359 9.3938 9.3938 14.2368 14.2368 14.2368 14.2368 14.2876 14.2876 15.0226 15.0226 15.0226 15.0226 16.6085 16.6085 16.6085 16.6085 17.4649 17.4649 18.3018 18.3018 18.3018 18.3018 18.8495 18.8495 19.0667 19.0667 19.0667 19.0667 20.9906 20.9906 21.3963 21.3963 21.6113 21.6113 21.7020 21.7020 21.7020 21.7020 22.6356 22.6356 22.6356 22.6356 25.2093 25.2093 27.8438 27.8438 k = 0.0000 0.0000 0.0000 ( 2205 PWs) bands (ev): -0.6695 -0.6695 -0.6695 -0.6695 0.3398 0.3398 0.3398 0.3398 0.3487 0.3487 4.4359 4.4359 9.3938 9.3938 14.2368 14.2368 14.2368 14.2368 14.2876 14.2876 15.0226 15.0226 15.0226 15.0226 16.6085 16.6085 16.6085 16.6085 17.4649 17.4649 18.3018 18.3018 18.3018 18.3018 18.8495 18.8495 19.0667 19.0667 19.0667 19.0667 20.9906 20.9906 21.3963 21.3963 21.6113 21.6113 21.7020 21.7020 21.7020 21.7020 22.6356 22.6356 22.6356 22.6356 25.2093 25.2093 27.8438 27.8438 k = 0.0071 0.0071 0.0071 ( 2205 PWs) bands (ev): -0.6695 -0.6695 -0.6695 -0.6695 0.3399 0.3399 0.3399 0.3399 0.3487 0.3487 4.4374 4.4374 9.3954 9.3954 14.2365 14.2365 14.2375 14.2375 14.2878 14.2878 15.0223 15.0223 15.0226 15.0226 16.6012 16.6012 16.6047 16.6047 17.4565 17.4565 18.2992 18.2992 18.3031 18.3031 18.8493 18.8493 19.0677 19.0677 19.0695 19.0695 20.9916 20.9916 21.3939 21.3939 21.6160 21.6160 21.7014 21.7014 21.7024 21.7024 22.6345 22.6345 22.6416 22.6416 25.2178 25.2178 27.8456 27.8456 k = 0.0143 0.0143 0.0143 ( 2214 PWs) bands (ev): -0.6694 -0.6694 -0.6693 -0.6693 0.3400 0.3400 0.3401 0.3401 0.3488 0.3488 4.4421 4.4421 9.4000 9.4000 14.2356 14.2356 14.2397 14.2397 14.2886 14.2886 15.0212 15.0212 15.0225 15.0225 16.5798 16.5798 16.5933 16.5933 17.4318 17.4318 18.2913 18.2913 18.3066 18.3066 18.8487 18.8487 19.0705 19.0705 19.0776 19.0776 20.9945 20.9945 21.3868 21.3868 21.6300 21.6300 21.6999 21.6999 21.7036 21.7036 22.6314 22.6314 22.6596 22.6596 25.2429 25.2429 27.8510 27.8510 k = 0.0214 0.0214 0.0214 ( 2229 PWs) bands (ev): -0.6693 -0.6693 -0.6690 -0.6690 0.3402 0.3402 0.3405 0.3405 0.3490 0.3490 4.4498 4.4498 9.4078 9.4078 14.2335 14.2335 14.2434 14.2434 14.2906 14.2906 15.0194 15.0194 15.0222 15.0222 16.5450 16.5450 16.5743 16.5743 17.3921 17.3921 18.2783 18.2783 18.3118 18.3118 18.8472 18.8472 19.0750 19.0750 19.0904 19.0904 20.9990 20.9990 21.3750 21.3750 21.6517 21.6517 21.6983 21.6983 21.7060 21.7060 22.6272 22.6272 22.6891 22.6891 25.2840 25.2840 27.8600 27.8601 k = 0.0286 0.0286 0.0286 ( 2229 PWs) bands (ev): -0.6691 -0.6691 -0.6686 -0.6686 0.3405 0.3405 0.3410 0.3410 0.3492 0.3492 4.4606 4.4606 9.4186 9.4186 14.2296 14.2296 14.2484 14.2484 14.2943 14.2943 15.0168 15.0168 15.0218 15.0218 16.4984 16.4984 16.5476 16.5476 17.3395 17.3395 18.2604 18.2604 18.3179 18.3179 18.8445 18.8445 19.0810 19.0810 19.1070 19.1070 21.0046 21.0046 21.3585 21.3585 21.6756 21.6756 21.7016 21.7016 21.7102 21.7102 22.6236 22.6236 22.7293 22.7293 25.3402 25.3402 27.8727 27.8727 k = 0.0357 0.0357 0.0357 ( 2223 PWs) bands (ev): -0.6688 -0.6688 -0.6681 -0.6681 0.3409 0.3409 0.3416 0.3416 0.3495 0.3495 4.4745 4.4745 9.4325 9.4325 14.2234 14.2234 14.2546 14.2546 14.3001 14.3001 15.0133 15.0133 15.0213 15.0213 16.4414 16.4414 16.5133 16.5133 17.2760 17.2760 18.2381 18.2381 18.3239 18.3239 18.8403 18.8403 19.0881 19.0881 19.1260 19.1260 21.0106 21.0106 21.3377 21.3377 21.6838 21.6838 21.7167 21.7167 21.7265 21.7265 22.6226 22.6226 22.7795 22.7795 25.4103 25.4103 27.8891 27.8891 k = 0.0429 0.0429 0.0429 ( 2223 PWs) bands (ev): -0.6685 -0.6685 -0.6674 -0.6674 0.3414 0.3414 0.3424 0.3424 0.3498 0.3498 4.4915 4.4915 9.4496 9.4496 14.2147 14.2147 14.2618 14.2618 14.3080 14.3080 15.0087 15.0087 15.0205 15.0205 16.3760 16.3760 16.4714 16.4714 17.2038 17.2038 18.2117 18.2117 18.3290 18.3290 18.8348 18.8348 19.0959 19.0959 19.1458 19.1458 21.0154 21.0154 21.3134 21.3134 21.6838 21.6838 21.7261 21.7261 21.7640 21.7640 22.6266 22.6266 22.8389 22.8389 25.4928 25.4928 27.9089 27.9092 k = 0.0500 0.0500 0.0500 ( 2217 PWs) bands (ev): -0.6681 -0.6681 -0.6667 -0.6667 0.3419 0.3419 0.3433 0.3433 0.3503 0.3503 4.5115 4.5115 9.4696 9.4696 14.2037 14.2037 14.2697 14.2697 14.3178 14.3178 15.0029 15.0029 15.0194 15.0194 16.3040 16.3040 16.4220 16.4220 17.1251 17.1251 18.1820 18.1820 18.3326 18.3326 18.8280 18.8280 19.1037 19.1037 19.1651 19.1651 21.0170 21.0170 21.2871 21.2871 21.6841 21.6841 21.7389 21.7389 21.8037 21.8037 22.6385 22.6385 22.9064 22.9064 25.5864 25.5864 27.9323 27.9330 k = 0.0571 0.0571 0.0571 ( 2220 PWs) bands (ev): -0.6677 -0.6677 -0.6658 -0.6658 0.3425 0.3425 0.3443 0.3443 0.3507 0.3507 4.5345 4.5345 9.4927 9.4927 14.1902 14.1902 14.2781 14.2781 14.3293 14.3293 14.9955 14.9955 15.0177 15.0177 16.2275 16.2275 16.3656 16.3656 17.0414 17.0414 18.1494 18.1494 18.3342 18.3342 18.8203 18.8203 19.1112 19.1112 19.1827 19.1827 21.0122 21.0122 21.2614 21.2614 21.6864 21.6864 21.7553 21.7553 21.8417 21.8417 22.6611 22.6611 22.9815 22.9815 25.6896 25.6896 27.9588 27.9607 k = 0.0643 0.0643 0.0643 ( 2220 PWs) bands (ev): -0.6673 -0.6673 -0.6649 -0.6649 0.3432 0.3432 0.3455 0.3455 0.3513 0.3513 4.5606 4.5606 9.5188 9.5188 14.1746 14.1746 14.2864 14.2864 14.3421 14.3421 14.9865 14.9865 15.0154 15.0154 16.1483 16.1483 16.3025 16.3025 16.9543 16.9543 18.1148 18.1148 18.3337 18.3337 18.8120 18.8120 19.1176 19.1176 19.1976 19.1976 20.9971 20.9971 21.2394 21.2394 21.6916 21.6916 21.7756 21.7756 21.8752 21.8752 22.6970 22.6970 23.0631 23.0631 25.8010 25.8010 27.9886 27.9886 k = 0.0714 0.0714 0.0714 ( 2220 PWs) bands (ev): -0.6667 -0.6667 -0.6639 -0.6639 0.3438 0.3438 0.3468 0.3468 0.3520 0.3520 4.5897 4.5897 9.5478 9.5478 14.1567 14.1567 14.2940 14.2940 14.3558 14.3558 14.9755 14.9755 15.0123 15.0123 16.0684 16.0684 16.2337 16.2337 16.8648 16.8648 18.0786 18.0786 18.3311 18.3311 18.8034 18.8034 19.1225 19.1225 19.2092 19.2092 20.9688 20.9688 21.2238 21.2238 21.7003 21.7003 21.7997 21.7997 21.9024 21.9024 22.7475 22.7475 23.1507 23.1507 25.9195 25.9195 28.0213 28.0215 k = 0.0786 0.0786 0.0786 ( 2220 PWs) bands (ev): -0.6662 -0.6662 -0.6628 -0.6628 0.3445 0.3445 0.3481 0.3481 0.3527 0.3527 4.6218 4.6218 9.5798 9.5798 14.1366 14.1366 14.2999 14.2999 14.3699 14.3699 14.9625 14.9625 15.0083 15.0083 15.9898 15.9898 16.1601 16.1601 16.7736 16.7736 18.0415 18.0415 18.3263 18.3263 18.7946 18.7946 19.1254 19.1254 19.2171 19.2171 20.9268 20.9268 21.2146 21.2146 21.7129 21.7129 21.8273 21.8273 21.9226 21.9226 22.8130 22.8130 23.2435 23.2435 26.0438 26.0438 28.0568 28.0568 k = 0.0857 0.0857 0.0857 ( 2229 PWs) bands (ev): -0.6656 -0.6656 -0.6616 -0.6616 0.3453 0.3453 0.3496 0.3496 0.3535 0.3535 4.6567 4.6567 9.6147 9.6147 14.1144 14.1144 14.3031 14.3031 14.3837 14.3837 14.9475 14.9475 15.0032 15.0032 15.9144 15.9144 16.0833 16.0833 16.6813 16.6813 18.0039 18.0039 18.3198 18.3198 18.7860 18.7860 19.1261 19.1261 19.2211 19.2211 20.8731 20.8731 21.2096 21.2096 21.7296 21.7296 21.8581 21.8581 21.9365 21.9365 22.8925 22.8925 23.3410 23.3410 26.1727 26.1727 28.0945 28.0946 k = 0.0929 0.0929 0.0929 ( 2229 PWs) bands (ev): -0.6650 -0.6650 -0.6604 -0.6604 0.3460 0.3460 0.3512 0.3512 0.3543 0.3543 4.6947 4.6947 9.6525 9.6525 14.0900 14.0900 14.3019 14.3019 14.3962 14.3962 14.9312 14.9312 14.9969 14.9969 15.8439 15.8439 16.0049 16.0049 16.5881 16.5881 17.9664 17.9664 18.3116 18.3116 18.7778 18.7778 19.1245 19.1245 19.2212 19.2212 20.8102 20.8102 21.2065 21.2065 21.7502 21.7502 21.8918 21.8918 21.9450 21.9450 22.9841 22.9841 23.4424 23.4424 26.3054 26.3054 28.1340 28.1340 k = 0.1000 0.1000 0.1000 ( 2235 PWs) bands (ev): -0.6643 -0.6643 -0.6591 -0.6591 0.3467 0.3467 0.3528 0.3528 0.3553 0.3553 4.7355 4.7355 9.6930 9.6930 14.0634 14.0634 14.2942 14.2942 14.4064 14.4064 14.9143 14.9143 14.9895 14.9895 15.7800 15.7800 15.9267 15.9267 16.4943 16.4943 17.9293 17.9293 18.3021 18.3021 18.7701 18.7701 19.1204 19.1204 19.2175 19.2175 20.7400 20.7400 21.2036 21.2036 21.7743 21.7743 21.9278 21.9278 21.9498 21.9498 23.0859 23.0859 23.5471 23.5471 26.4408 26.4408 28.1745 28.1745 k = 0.1071 0.1071 0.1071 ( 2232 PWs) bands (ev): -0.6636 -0.6636 -0.6577 -0.6577 0.3474 0.3474 0.3545 0.3545 0.3563 0.3563 4.7792 4.7792 9.7363 9.7363 14.0346 14.0346 14.2779 14.2779 14.4125 14.4125 14.8986 14.8986 14.9815 14.9815 15.7240 15.7240 15.8509 15.8509 16.4001 16.4001 17.8929 17.8929 18.2915 18.2915 18.7631 18.7631 19.1140 19.1140 19.2103 19.2103 20.6642 20.6642 21.2000 21.2000 21.8015 21.8015 21.9520 21.9520 21.9654 21.9654 23.1959 23.1959 23.6545 23.6545 26.5782 26.5782 28.2152 28.2153 k = 0.1143 0.1143 0.1143 ( 2220 PWs) bands (ev): -0.6629 -0.6629 -0.6564 -0.6564 0.3481 0.3481 0.3563 0.3563 0.3574 0.3574 4.8257 4.8257 9.7823 9.7823 14.0035 14.0035 14.2507 14.2507 14.4124 14.4124 14.8861 14.8861 14.9737 14.9737 15.6765 15.6765 15.7795 15.7795 16.3055 16.3055 17.8574 17.8574 18.2801 18.2801 18.7569 18.7569 19.1054 19.1054 19.1998 19.1998 20.5838 20.5838 21.1953 21.1953 21.8308 21.8308 21.9531 21.9531 22.0042 22.0042 23.3120 23.3120 23.7639 23.7639 26.7168 26.7168 28.2551 28.2551 k = 0.1214 0.1214 0.1214 ( 2226 PWs) bands (ev): -0.6622 -0.6622 -0.6549 -0.6549 0.3488 0.3488 0.3582 0.3582 0.3585 0.3585 4.8750 4.8750 9.8309 9.8309 13.9701 13.9701 14.2107 14.2107 14.4037 14.4037 14.8785 14.8785 14.9673 14.9673 15.6379 15.6379 15.7143 15.7143 16.2108 16.2108 17.8231 17.8231 18.2679 18.2679 18.7515 18.7515 19.0950 19.0950 19.1862 19.1862 20.4996 20.4996 21.1894 21.1894 21.8612 21.8612 21.9541 21.9541 22.0434 22.0434 23.4327 23.4327 23.8745 23.8745 26.8560 26.8560 28.2928 28.2928 k = 0.1286 0.1286 0.1286 ( 2226 PWs) bands (ev): -0.6614 -0.6614 -0.6535 -0.6535 0.3494 0.3494 0.3597 0.3597 0.3601 0.3601 4.9270 4.9270 9.8820 9.8820 13.9343 13.9343 14.1575 14.1575 14.3838 14.3838 14.8772 14.8772 14.9641 14.9641 15.6077 15.6077 15.6567 15.6567 16.1164 16.1164 17.7901 17.7901 18.2553 18.2553 18.7471 18.7471 19.0830 19.0830 19.1699 19.1699 20.4125 20.4125 21.1826 21.1826 21.8910 21.8910 21.9567 21.9567 22.0826 22.0826 23.5565 23.5565 23.9855 23.9855 26.9950 26.9950 28.3269 28.3269 k = 0.1357 0.1357 0.1357 ( 2232 PWs) bands (ev): -0.6606 -0.6606 -0.6521 -0.6521 0.3500 0.3500 0.3609 0.3609 0.3620 0.3620 4.9817 4.9817 9.9355 9.9355 13.8959 13.8959 14.0915 14.0915 14.3507 14.3507 14.8825 14.8825 14.9657 14.9657 15.5855 15.5855 15.6076 15.6076 16.0225 16.0225 17.7584 17.7584 18.2421 18.2421 18.7436 18.7436 19.0700 19.0700 19.1511 19.1511 20.3229 20.3229 21.1749 21.1749 21.9168 21.9168 21.9640 21.9640 22.1211 22.1211 23.6819 23.6819 24.0961 24.0961 27.1333 27.1333 28.3560 28.3560 k = 0.1429 0.1429 0.1429 ( 2232 PWs) bands (ev): -0.6599 -0.6599 -0.6506 -0.6506 0.3506 0.3506 0.3622 0.3622 0.3639 0.3639 5.0391 5.0391 9.9914 9.9914 13.8548 13.8548 14.0143 14.0143 14.3036 14.3036 14.8939 14.8939 14.9732 14.9732 15.5669 15.5669 15.5705 15.5705 15.9299 15.9299 17.7281 17.7281 18.2286 18.2286 18.7410 18.7410 19.0562 19.0562 19.1303 19.1303 20.2315 20.2315 21.1667 21.1667 21.9330 21.9330 21.9814 21.9814 22.1585 22.1585 23.8078 23.8078 24.2053 24.2053 27.2704 27.2704 28.3790 28.3790 k = 0.1500 0.1500 0.1500 ( 2232 PWs) bands (ev): -0.6591 -0.6591 -0.6492 -0.6492 0.3512 0.3512 0.3635 0.3635 0.3659 0.3659 5.0991 5.0991 10.0494 10.0494 13.8109 13.8109 13.9276 13.9276 14.2434 14.2434 14.9105 14.9105 14.9867 14.9867 15.5340 15.5340 15.5620 15.5620 15.8395 15.8395 17.6993 17.6993 18.2146 18.2146 18.7394 18.7394 19.0422 19.0422 19.1076 19.1076 20.1387 20.1387 21.1581 21.1581 21.9410 21.9410 22.0073 22.0073 22.1943 22.1943 23.9328 23.9328 24.3119 24.3119 27.4059 27.4059 28.3950 28.3950 k = 0.1571 0.1571 0.1571 ( 2232 PWs) bands (ev): -0.6583 -0.6583 -0.6478 -0.6478 0.3517 0.3517 0.3647 0.3647 0.3678 0.3678 5.1617 5.1617 10.1095 10.1095 13.7637 13.7637 13.8336 13.8336 14.1718 14.1718 14.9314 14.9314 15.0052 15.0052 15.5072 15.5072 15.5592 15.5592 15.7528 15.7528 17.6719 17.6719 18.2002 18.2002 18.7386 18.7386 19.0284 19.0284 19.0835 19.0835 20.0450 20.0450 21.1494 21.1494 21.9464 21.9464 22.0356 22.0356 22.2280 22.2280 24.0558 24.0558 24.4149 24.4149 27.5394 27.5394 28.4042 28.4042 k = 0.1643 0.1643 0.1643 ( 2232 PWs) bands (ev): -0.6576 -0.6576 -0.6465 -0.6465 0.3522 0.3522 0.3660 0.3660 0.3698 0.3698 5.2268 5.2268 10.1716 10.1716 13.7129 13.7129 13.7337 13.7337 14.0915 14.0915 14.9556 14.9556 15.0271 15.0271 15.4839 15.4839 15.5616 15.5616 15.6726 15.6726 17.6459 17.6459 18.1852 18.1852 18.7384 18.7384 19.0154 19.0154 19.0582 19.0582 19.9509 19.9509 21.1406 21.1406 21.9519 21.9519 22.0635 22.0635 22.2593 22.2593 24.1755 24.1755 24.5130 24.5130 27.6705 27.6705 28.4077 28.4077 k = 0.1714 0.1714 0.1714 ( 2232 PWs) bands (ev): -0.6568 -0.6568 -0.6451 -0.6451 0.3526 0.3526 0.3673 0.3673 0.3717 0.3717 5.2943 5.2943 10.2354 10.2354 13.6296 13.6296 13.6579 13.6579 14.0051 14.0051 14.9822 14.9822 15.0501 15.0501 15.4592 15.4592 15.5688 15.5688 15.6048 15.6048 17.6212 17.6212 18.1695 18.1695 18.7387 18.7387 19.0035 19.0035 19.0319 19.0319 19.8569 19.8569 21.1320 21.1320 21.9582 21.9582 22.0901 22.0901 22.2879 22.2879 24.2907 24.2907 24.6049 24.6049 27.7988 27.7988 28.4076 28.4076 k = 0.1786 0.1786 0.1786 ( 2226 PWs) bands (ev): -0.6561 -0.6561 -0.6438 -0.6438 0.3530 0.3530 0.3686 0.3686 0.3737 0.3737 5.3643 5.3643 10.3008 10.3008 13.5223 13.5223 13.5979 13.5979 13.9154 13.9154 15.0105 15.0105 15.0705 15.0705 15.4263 15.4263 15.5584 15.5584 15.5805 15.5805 17.5977 17.5977 18.1531 18.1531 18.7391 18.7391 18.9933 18.9933 19.0052 19.0052 19.7635 19.7635 21.1236 21.1236 21.9658 21.9658 22.1148 22.1148 22.3135 22.3135 24.4001 24.4001 24.6891 24.6891 27.9241 27.9241 28.4065 28.4065 k = 0.1857 0.1857 0.1857 ( 2220 PWs) bands (ev): -0.6553 -0.6553 -0.6426 -0.6426 0.3533 0.3533 0.3698 0.3698 0.3755 0.3755 5.4366 5.4366 10.3675 10.3675 13.4128 13.4128 13.5319 13.5319 13.8252 13.8252 15.0400 15.0400 15.0823 15.0823 15.3873 15.3873 15.5366 15.5366 15.5962 15.5962 17.5753 17.5753 18.1357 18.1357 18.7390 18.7390 18.9783 18.9783 18.9850 18.9850 19.6714 19.6714 21.1154 21.1154 21.9749 21.9749 22.1371 22.1371 22.3358 22.3358 24.5024 24.5024 24.7642 24.7642 28.0459 28.0459 28.4076 28.4076 k = 0.1929 0.1929 0.1929 ( 2232 PWs) bands (ev): -0.6546 -0.6546 -0.6414 -0.6414 0.3536 0.3536 0.3710 0.3710 0.3774 0.3774 5.5111 5.5111 10.4354 10.4354 13.3020 13.3020 13.4587 13.4587 13.7367 13.7367 15.0702 15.0702 15.0766 15.0766 15.3578 15.3578 15.5315 15.5315 15.6159 15.6159 17.5540 17.5540 18.1173 18.1173 18.7378 18.7378 18.9518 18.9518 18.9792 18.9792 19.5813 19.5813 21.1076 21.1076 21.9856 21.9856 22.1570 22.1570 22.3546 22.3546 24.5962 24.5962 24.8291 24.8291 28.1639 28.1639 28.4140 28.4140 k = 0.2000 0.2000 0.2000 ( 2232 PWs) bands (ev): -0.6539 -0.6539 -0.6403 -0.6403 0.3538 0.3538 0.3722 0.3722 0.3792 0.3792 5.5879 5.5879 10.5041 10.5041 13.1903 13.1903 13.3778 13.3778 13.6518 13.6518 15.0478 15.0478 15.1008 15.1008 15.3497 15.3497 15.5368 15.5368 15.6394 15.6394 17.5335 17.5335 18.0977 18.0977 18.7342 18.7342 18.9264 18.9264 18.9761 18.9761 19.4941 19.4941 21.1001 21.1001 21.9980 21.9980 22.1742 22.1742 22.3697 22.3697 24.6805 24.6805 24.8825 24.8825 28.2774 28.2774 28.4285 28.4285 k = 0.2071 0.2071 0.2071 ( 2244 PWs) bands (ev): -0.6533 -0.6533 -0.6393 -0.6393 0.3540 0.3540 0.3734 0.3734 0.3809 0.3809 5.6669 5.6669 10.5733 10.5733 13.0785 13.0785 13.2893 13.2893 13.5712 13.5712 15.0004 15.0004 15.1315 15.1315 15.3604 15.3604 15.5500 15.5500 15.6664 15.6664 17.5137 17.5137 18.0771 18.0771 18.7265 18.7265 18.9030 18.9030 18.9758 18.9758 19.4109 19.4109 21.0930 21.0930 22.0121 22.0121 22.1886 22.1886 22.3809 22.3809 24.7539 24.7539 24.9238 24.9238 28.3855 28.3855 28.4534 28.4534 k = 0.2143 0.2143 0.2143 ( 2238 PWs) bands (ev): -0.6526 -0.6526 -0.6384 -0.6384 0.3541 0.3541 0.3746 0.3746 0.3826 0.3826 5.7480 5.7480 10.6428 10.6428 12.9668 12.9668 13.1942 13.1942 13.4946 13.4946 14.9436 14.9436 15.1622 15.1622 15.3814 15.3814 15.5703 15.5703 15.6968 15.6968 17.4945 17.4945 18.0553 18.0553 18.7128 18.7128 18.8824 18.8824 18.9786 18.9786 19.3334 19.3334 21.0862 21.0862 22.0280 22.0280 22.2003 22.2003 22.3881 22.3881 24.8157 24.8157 24.9525 24.9525 28.4865 28.4865 28.4905 28.4905 k = 0.2214 0.2214 0.2214 ( 2238 PWs) bands (ev): -0.6520 -0.6520 -0.6375 -0.6375 0.3541 0.3541 0.3757 0.3757 0.3842 0.3842 5.8311 5.8311 10.7121 10.7121 12.8557 12.8557 13.0943 13.0943 13.4211 13.4211 14.8841 14.8841 15.1929 15.1929 15.4063 15.4063 15.5976 15.5976 15.7302 15.7302 17.4758 17.4758 18.0324 18.0324 18.6912 18.6912 18.8646 18.8646 18.9845 18.9845 19.2636 19.2636 21.0798 21.0798 22.0454 22.0454 22.2094 22.2094 22.3911 22.3911 24.8650 24.8650 24.9686 24.9686 28.5408 28.5408 28.5771 28.5771 k = 0.2286 0.2286 0.2286 ( 2232 PWs) bands (ev): -0.6515 -0.6515 -0.6368 -0.6368 0.3540 0.3540 0.3767 0.3767 0.3857 0.3857 5.9162 5.9162 10.7808 10.7808 12.7454 12.7454 12.9911 12.9911 13.3495 13.3495 14.8253 14.8253 15.2235 15.2235 15.4320 15.4320 15.6315 15.6315 15.7665 15.7665 17.4575 17.4575 18.0086 18.0086 18.6609 18.6609 18.8483 18.8483 18.9936 18.9936 19.2039 19.2039 21.0736 21.0736 22.0640 22.0640 22.2161 22.2161 22.3899 22.3899 24.9018 24.9018 24.9727 24.9727 28.6048 28.6048 28.6505 28.6505 k = 0.2357 0.2357 0.2357 ( 2232 PWs) bands (ev): -0.6509 -0.6509 -0.6361 -0.6361 0.3538 0.3538 0.3778 0.3778 0.3871 0.3871 6.0031 6.0031 10.8486 10.8486 12.6363 12.6363 12.8860 12.8860 13.2789 13.2789 14.7694 14.7694 15.2541 15.2541 15.4571 15.4571 15.6713 15.6713 15.8051 15.8051 17.4394 17.4394 17.9840 17.9840 18.6219 18.6219 18.8312 18.8312 19.0057 19.0057 19.1570 19.1570 21.0676 21.0676 22.0833 22.0833 22.2211 22.2211 22.3842 22.3842 24.9258 24.9258 24.9656 24.9656 28.6823 28.6823 28.6929 28.6929 k = 0.2429 0.2429 0.2429 ( 2232 PWs) bands (ev): -0.6504 -0.6504 -0.6355 -0.6355 0.3536 0.3536 0.3787 0.3787 0.3885 0.3885 6.0919 6.0919 10.9148 10.9148 12.5286 12.5286 12.7800 12.7800 13.2087 13.2087 14.7179 14.7179 15.2848 15.2848 15.4815 15.4815 15.7160 15.7160 15.8459 15.8459 17.4214 17.4214 17.9588 17.9588 18.5747 18.5747 18.8111 18.8111 19.0206 19.0206 19.1246 19.1246 21.0619 21.0619 22.1019 22.1019 22.2257 22.2257 22.3740 22.3740 24.9377 24.9377 24.9485 24.9485 28.6823 28.6823 28.7729 28.7729 k = 0.2500 0.2500 0.2500 ( 2238 PWs) bands (ev): -0.6500 -0.6500 -0.6351 -0.6351 0.3533 0.3533 0.3797 0.3797 0.3898 0.3898 6.1825 6.1825 10.9790 10.9790 12.4224 12.4224 12.6740 12.6740 13.1386 13.1386 14.6716 14.6716 15.3158 15.3158 15.5056 15.5056 15.7644 15.7644 15.8883 15.8883 17.4034 17.4034 17.9332 17.9332 18.5203 18.5203 18.7875 18.7875 19.0383 19.0383 19.1064 19.1064 21.0563 21.0563 22.1173 22.1173 22.2324 22.2324 22.3593 22.3593 24.9229 24.9229 24.9381 24.9381 28.6044 28.6044 28.8756 28.8756 k = 0.2571 0.2571 0.2571 ( 2229 PWs) bands (ev): -0.6496 -0.6496 -0.6347 -0.6347 0.3529 0.3529 0.3806 0.3806 0.3909 0.3909 6.2747 6.2747 11.0406 11.0406 12.3179 12.3179 12.5686 12.5686 13.0681 13.0681 14.6314 14.6314 15.3472 15.3472 15.5299 15.5299 15.8157 15.8157 15.9321 15.9321 17.3855 17.3855 17.9075 17.9075 18.4600 18.4600 18.7613 18.7613 19.0584 19.0584 19.1004 19.1004 21.0508 21.0508 22.1258 22.1258 22.2447 22.2447 22.3400 22.3400 24.8904 24.8904 24.9281 24.9281 28.4721 28.4721 28.9894 28.9894 k = 0.2643 0.2643 0.2643 ( 2229 PWs) bands (ev): -0.6492 -0.6492 -0.6344 -0.6344 0.3524 0.3524 0.3815 0.3815 0.3920 0.3920 6.3685 6.3685 11.0991 11.0991 12.2154 12.2154 12.4642 12.4642 12.9973 12.9973 14.5981 14.5981 15.3791 15.3791 15.5545 15.5545 15.8689 15.8689 15.9769 15.9769 17.3675 17.3675 17.8819 17.8819 18.3952 18.3952 18.7338 18.7338 19.0808 19.0808 19.1039 19.1039 21.0453 21.0453 22.1252 22.1252 22.2651 22.2651 22.3160 22.3160 24.8524 24.8524 24.9090 24.9090 28.3081 28.3081 29.1131 29.1131 k = 0.2714 0.2714 0.2714 ( 2229 PWs) bands (ev): -0.6489 -0.6489 -0.6343 -0.6343 0.3518 0.3518 0.3823 0.3823 0.3930 0.3930 6.4639 6.4639 11.1538 11.1538 12.1148 12.1148 12.3612 12.3612 12.9259 12.9259 14.5723 14.5723 15.4117 15.4117 15.5799 15.5799 15.9235 15.9235 16.0223 16.0223 17.3494 17.3494 17.8567 17.8567 18.3275 18.3275 18.7062 18.7062 19.1051 19.1051 19.1142 19.1142 21.0398 21.0398 22.1157 22.1157 22.2876 22.2876 22.2931 22.2931 24.8105 24.8105 24.8822 24.8822 28.1275 28.1275 29.2455 29.2455 k = 0.2786 0.2786 0.2786 ( 2235 PWs) bands (ev): -0.6486 -0.6486 -0.6342 -0.6342 0.3511 0.3511 0.3831 0.3831 0.3939 0.3939 6.5607 6.5607 11.2042 11.2042 12.0165 12.0165 12.2600 12.2600 12.8539 12.8539 14.5545 14.5545 15.4452 15.4452 15.6063 15.6063 15.9789 15.9789 16.0680 16.0680 17.3314 17.3314 17.8321 17.8321 18.2582 18.2582 18.6790 18.6790 19.1294 19.1294 19.1311 19.1311 21.0342 21.0342 22.0992 22.0992 22.2546 22.2546 22.3269 22.3269 24.7658 24.7658 24.8491 24.8491 27.9383 27.9383 29.3855 29.3855 k = 0.2857 0.2857 0.2857 ( 2241 PWs) bands (ev): -0.6484 -0.6484 -0.6343 -0.6343 0.3504 0.3504 0.3839 0.3839 0.3946 0.3946 6.6588 6.6588 11.2498 11.2498 11.9204 11.9204 12.1608 12.1608 12.7814 12.7814 14.5453 14.5453 15.4795 15.4795 15.6337 15.6337 16.0347 16.0347 16.1135 16.1135 17.3134 17.3134 17.8084 17.8084 18.1883 18.1883 18.6524 18.6524 19.1483 19.1483 19.1584 19.1584 21.0284 21.0284 22.0770 22.0770 22.2174 22.2174 22.3653 22.3653 24.7198 24.7198 24.8111 24.8111 27.7445 27.7445 29.5320 29.5320 k = 0.2929 0.2929 0.2929 ( 2238 PWs) bands (ev): -0.6482 -0.6482 -0.6344 -0.6344 0.3495 0.3495 0.3846 0.3846 0.3953 0.3953 6.7583 6.7583 11.2900 11.2900 11.8267 11.8267 12.0638 12.0638 12.7083 12.7083 14.5452 14.5452 15.5149 15.5149 15.6622 15.6622 16.0905 16.0905 16.1585 16.1585 17.2956 17.2956 17.7858 17.7858 18.1189 18.1189 18.6265 18.6265 19.1698 19.1698 19.1866 19.1866 21.0225 21.0225 22.0500 22.0500 22.1760 22.1760 22.4073 22.4073 24.6733 24.6733 24.7694 24.7694 27.5484 27.5484 29.6840 29.6840 k = 0.3000 0.3000 0.3000 ( 2232 PWs) bands (ev): -0.6480 -0.6480 -0.6347 -0.6347 0.3486 0.3486 0.3853 0.3853 0.3959 0.3959 6.8589 6.8589 11.3246 11.3246 11.7355 11.7355 11.9692 11.9692 12.6345 12.6345 14.5543 14.5543 15.5514 15.5514 15.6919 15.6919 16.1459 16.1459 16.2027 16.2027 17.2780 17.2780 17.7646 17.7646 18.0504 18.0504 18.6012 18.6012 19.1932 19.1932 19.2155 19.2155 21.0162 21.0162 22.0187 22.0187 22.1309 22.1309 22.4523 22.4523 24.6273 24.6273 24.7253 24.7253 27.3514 27.3514 29.8407 29.8407 k = 0.3071 0.3071 0.3071 ( 2238 PWs) bands (ev): -0.6479 -0.6479 -0.6350 -0.6350 0.3476 0.3476 0.3860 0.3860 0.3964 0.3964 6.9607 6.9607 11.3530 11.3530 11.6468 11.6468 11.8774 11.8774 12.5601 12.5601 14.5730 14.5730 15.5889 15.5889 15.7226 15.7226 16.2005 16.2005 16.2459 16.2459 17.2609 17.2609 17.7450 17.7450 17.9835 17.9835 18.5763 18.5763 19.2180 19.2180 19.2447 19.2447 21.0096 21.0096 21.9836 21.9836 22.0823 22.0823 22.5002 22.5002 24.5823 24.5823 24.6800 24.6800 27.1545 27.1545 29.9456 29.9456 k = 0.3143 0.3143 0.3143 ( 2238 PWs) bands (ev): -0.6479 -0.6479 -0.6354 -0.6354 0.3465 0.3465 0.3866 0.3866 0.3968 0.3968 7.0635 7.0635 11.3752 11.3752 11.5608 11.5608 11.7886 11.7886 12.4851 12.4851 14.6012 14.6012 15.6275 15.6275 15.7545 15.7545 16.2541 16.2541 16.2877 16.2877 17.2443 17.2443 17.7271 17.7271 17.9187 17.9187 18.5517 18.5517 19.2437 19.2437 19.2738 19.2738 21.0026 21.0026 21.9450 21.9450 22.0307 22.0307 22.5504 22.5504 24.5390 24.5390 24.6342 24.6342 26.9583 26.9583 30.0295 30.0295 k = 0.3214 0.3214 0.3214 ( 2233 PWs) bands (ev): -0.6478 -0.6478 -0.6359 -0.6359 0.3454 0.3454 0.3872 0.3872 0.3971 0.3971 7.1672 7.1672 11.3907 11.3907 11.4776 11.4776 11.7033 11.7033 12.4093 12.4093 14.6389 14.6389 15.6672 15.6672 15.7874 15.7874 16.3061 16.3061 16.3279 16.3279 17.2287 17.2287 17.7112 17.7112 17.8564 17.8564 18.5273 18.5273 19.2698 19.2698 19.3023 19.3023 20.9950 20.9950 21.9035 21.9035 21.9767 21.9767 22.6029 22.6029 24.4978 24.4978 24.5888 24.5888 26.7634 26.7634 30.1117 30.1117 k = 0.3286 0.3286 0.3286 ( 2230 PWs) bands (ev): -0.6479 -0.6479 -0.6364 -0.6364 0.3442 0.3442 0.3877 0.3877 0.3974 0.3974 7.2717 7.2717 11.3971 11.3971 11.3989 11.3989 11.6224 11.6224 12.3328 12.3328 14.6859 14.6859 15.7079 15.7079 15.8212 15.8212 16.3563 16.3563 16.3663 16.3663 17.2141 17.2141 17.6973 17.6973 17.7968 17.7968 18.5030 18.5030 19.2960 19.2960 19.3300 19.3300 20.9869 20.9869 21.8593 21.8593 21.9207 21.9207 22.6573 22.6573 24.4589 24.4589 24.5444 24.5444 26.5705 26.5705 30.1918 30.1918 k = 0.3357 0.3357 0.3357 ( 2230 PWs) bands (ev): -0.6479 -0.6479 -0.6371 -0.6371 0.3430 0.3430 0.3883 0.3883 0.3975 0.3975 7.3770 7.3770 11.3195 11.3195 11.3977 11.3977 11.5484 11.5484 12.2555 12.2555 14.7416 14.7416 15.7496 15.7496 15.8559 15.8559 16.4028 16.4028 16.4042 16.4042 17.2011 17.2011 17.6855 17.6855 17.7403 17.7403 18.4786 18.4786 19.3217 19.3217 19.3564 19.3564 20.9780 20.9780 21.8130 21.8130 21.8635 21.8635 22.7133 22.7133 24.4225 24.4225 24.5017 24.5017 26.3798 26.3798 30.2693 30.2693 k = 0.3429 0.3429 0.3429 ( 2230 PWs) bands (ev): -0.6480 -0.6480 -0.6377 -0.6377 0.3417 0.3417 0.3888 0.3888 0.3976 0.3976 7.4830 7.4830 11.2448 11.2448 11.3805 11.3805 11.4884 11.4884 12.1775 12.1775 14.8056 14.8056 15.7920 15.7920 15.8911 15.8911 16.4373 16.4373 16.4493 16.4493 17.1898 17.1898 17.6757 17.6757 17.6873 17.6873 18.4540 18.4540 19.3467 19.3467 19.3811 19.3811 20.9682 20.9682 21.7652 21.7652 21.8056 21.8056 22.7708 22.7708 24.3886 24.3886 24.4608 24.4608 26.1921 26.1921 30.3437 30.3437 k = 0.3500 0.3500 0.3500 ( 2239 PWs) bands (ev): -0.6481 -0.6481 -0.6385 -0.6385 0.3404 0.3404 0.3893 0.3893 0.3977 0.3977 7.5895 7.5895 11.1730 11.1730 11.3383 11.3383 11.4520 11.4520 12.0986 12.0986 14.8771 14.8771 15.8351 15.8351 15.9269 15.9269 16.4699 16.4699 16.4912 16.4912 17.1807 17.1807 17.6378 17.6378 17.6679 17.6679 18.4290 18.4290 19.3704 19.3704 19.4037 19.4037 20.9575 20.9575 21.7164 21.7164 21.7479 21.7479 22.8293 22.8293 24.3573 24.3573 24.4222 24.4222 26.0076 26.0076 30.4144 30.4144 k = 0.3571 0.3571 0.3571 ( 2233 PWs) bands (ev): -0.6482 -0.6482 -0.6392 -0.6392 0.3390 0.3390 0.3897 0.3897 0.3976 0.3976 7.6964 7.6964 11.1043 11.1043 11.2789 11.2789 11.4320 11.4320 12.0190 12.0190 14.9556 14.9556 15.8785 15.8785 15.9628 15.9628 16.5007 16.5007 16.5294 16.5294 17.1742 17.1742 17.5924 17.5924 17.6620 17.6620 18.4036 18.4036 19.3926 19.3926 19.4238 19.4238 20.9457 20.9457 21.6674 21.6674 21.6909 21.6909 22.8886 22.8886 24.3286 24.3286 24.3861 24.3861 25.8270 25.8270 30.4808 30.4808 k = 0.3643 0.3643 0.3643 ( 2245 PWs) bands (ev): -0.6484 -0.6484 -0.6401 -0.6401 0.3377 0.3377 0.3901 0.3901 0.3975 0.3975 7.8036 7.8036 11.0387 11.0387 11.2149 11.2149 11.4162 11.4162 11.9386 11.9386 15.0401 15.0401 15.9220 15.9220 15.9988 15.9988 16.5300 16.5300 16.5636 16.5636 17.1706 17.1706 17.5513 17.5513 17.6577 17.6577 18.3776 18.3776 19.4128 19.4128 19.4410 19.4410 20.9327 20.9327 21.6189 21.6189 21.6355 21.6355 22.9482 22.9482 24.3024 24.3024 24.3525 24.3525 25.6507 25.6507 30.5419 30.5419 k = 0.3714 0.3714 0.3714 ( 2251 PWs) bands (ev): -0.6485 -0.6485 -0.6409 -0.6409 0.3363 0.3363 0.3905 0.3905 0.3974 0.3974 7.9110 7.9110 10.9762 10.9762 11.1513 11.1513 11.4004 11.4004 11.8576 11.8576 15.1299 15.1299 15.9653 15.9653 16.0344 16.0344 16.5581 16.5581 16.5936 16.5936 17.1699 17.1699 17.5147 17.5147 17.6547 17.6547 18.3508 18.3508 19.4307 19.4307 19.4551 19.4551 20.9183 20.9183 21.5715 21.5715 21.5823 21.5823 23.0076 23.0076 24.2785 24.2785 24.3215 24.3215 25.4795 25.4795 30.5972 30.5972 k = 0.3786 0.3786 0.3786 ( 2254 PWs) bands (ev): -0.6487 -0.6487 -0.6417 -0.6417 0.3349 0.3349 0.3909 0.3909 0.3972 0.3972 8.0186 8.0186 10.9168 10.9168 11.0896 11.0896 11.3834 11.3834 11.7760 11.7760 15.2239 15.2239 16.0078 16.0078 16.0694 16.0694 16.5856 16.5856 16.6194 16.6194 17.1723 17.1723 17.4831 17.4831 17.6526 17.6526 18.3231 18.3231 19.4458 19.4458 19.4658 19.4658 20.9025 20.9025 21.5261 21.5261 21.5318 21.5318 23.0665 23.0665 24.2569 24.2569 24.2931 24.2931 25.3138 25.3138 30.6456 30.6456 k = 0.3857 0.3857 0.3857 ( 2251 PWs) bands (ev): -0.6489 -0.6489 -0.6426 -0.6426 0.3336 0.3336 0.3912 0.3912 0.3970 0.3970 8.1260 8.1260 10.8607 10.8607 11.0305 11.0305 11.3651 11.3651 11.6942 11.6942 15.3212 15.3212 16.0492 16.0492 16.1034 16.1034 16.6130 16.6130 16.6413 16.6413 17.1773 17.1773 17.4567 17.4567 17.6510 17.6510 18.2943 18.2943 19.4578 19.4578 19.4729 19.4729 20.8853 20.8853 21.4831 21.4831 21.4848 21.4848 23.1241 23.1241 24.2373 24.2373 24.2672 24.2672 25.1546 25.1546 30.6862 30.6862 k = 0.3929 0.3929 0.3929 ( 2257 PWs) bands (ev): -0.6491 -0.6491 -0.6435 -0.6435 0.3323 0.3323 0.3916 0.3916 0.3968 0.3968 8.2332 8.2332 10.8078 10.8078 10.9742 10.9742 11.3452 11.3452 11.6125 11.6125 15.4207 15.4207 16.0888 16.0888 16.1360 16.1360 16.6409 16.6409 16.6599 16.6599 17.1843 17.1843 17.4360 17.4360 17.6493 17.6493 18.2643 18.2643 19.4665 19.4665 19.4763 19.4763 20.8667 20.8667 21.4415 21.4415 21.4433 21.4433 23.1798 23.1798 24.2198 24.2198 24.2438 24.2438 25.0027 25.0027 30.7183 30.7183 k = 0.4000 0.4000 0.4000 ( 2257 PWs) bands (ev): -0.6493 -0.6493 -0.6443 -0.6443 0.3310 0.3310 0.3918 0.3918 0.3965 0.3965 8.3400 8.3400 10.7581 10.7581 10.9208 10.9208 11.3234 11.3234 11.5318 11.5318 15.5213 15.5213 16.1261 16.1261 16.1669 16.1669 16.6701 16.6701 16.6764 16.6764 17.1924 17.1924 17.4213 17.4213 17.6470 17.6470 18.2329 18.2329 19.4717 19.4717 19.4761 19.4761 20.8470 20.8470 21.4023 21.4023 21.4069 21.4069 23.2328 23.2328 24.2041 24.2041 24.2228 24.2228 24.8589 24.8589 30.7413 30.7413 k = 0.4071 0.4071 0.4071 ( 2257 PWs) bands (ev): -0.6496 -0.6496 -0.6452 -0.6452 0.3297 0.3297 0.3921 0.3921 0.3962 0.3962 8.4461 8.4461 10.7118 10.7118 10.8705 10.8705 11.2983 11.2983 11.4541 11.4541 15.6217 15.6217 16.1604 16.1604 16.1955 16.1955 16.6921 16.6921 16.7013 16.7013 17.2006 17.2006 17.4129 17.4129 17.6436 17.6436 18.1999 18.1999 19.4726 19.4726 19.4732 19.4732 20.8264 20.8264 21.3675 21.3675 21.3742 21.3742 23.2821 23.2821 24.1901 24.1901 24.2039 24.2039 24.7244 24.7244 30.7550 30.7550 k = 0.4143 0.4143 0.4143 ( 2257 PWs) bands (ev): -0.6498 -0.6498 -0.6460 -0.6460 0.3285 0.3285 0.3924 0.3924 0.3960 0.3960 8.5514 8.5514 10.6688 10.6688 10.8231 10.8231 11.2657 11.2657 11.3841 11.3841 15.7205 15.7205 16.1914 16.1914 16.2214 16.2214 16.7085 16.7085 16.7350 16.7350 17.2082 17.2082 17.4104 17.4104 17.6386 17.6386 18.1653 18.1653 19.4659 19.4659 19.4712 19.4712 20.8052 20.8052 21.3370 21.3370 21.3454 21.3454 23.3266 23.3266 24.1777 24.1777 24.1873 24.1873 24.6006 24.6006 30.7593 30.7593 k = 0.4214 0.4214 0.4214 ( 2251 PWs) bands (ev): -0.6500 -0.6500 -0.6467 -0.6467 0.3274 0.3274 0.3926 0.3926 0.3957 0.3957 8.6555 8.6555 10.6291 10.6291 10.7786 10.7786 11.2178 11.2178 11.3305 11.3305 15.8161 15.8161 16.2188 16.2188 16.2444 16.2444 16.7274 16.7274 16.7715 16.7715 17.2149 17.2149 17.4132 17.4132 17.6314 17.6314 18.1288 18.1288 19.4567 19.4567 19.4657 19.4657 20.7841 20.7841 21.3108 21.3108 21.3202 21.3202 23.3651 23.3651 24.1667 24.1667 24.1725 24.1725 24.4888 24.4888 30.7549 30.7549 k = 0.4286 0.4286 0.4286 ( 2257 PWs) bands (ev): -0.6502 -0.6502 -0.6475 -0.6475 0.3263 0.3263 0.3928 0.3928 0.3954 0.3954 8.7581 8.7581 10.5928 10.5928 10.7368 10.7368 11.1530 11.1530 11.2954 11.2954 15.9067 15.9067 16.2423 16.2423 16.2642 16.2642 16.7505 16.7505 16.8111 16.8111 17.2208 17.2208 17.4202 17.4202 17.6216 17.6216 18.0903 18.0903 19.4453 19.4453 19.4571 19.4571 20.7633 20.7633 21.2887 21.2887 21.2985 21.2985 23.3959 23.3959 24.1571 24.1571 24.1597 24.1597 24.3906 24.3906 30.7429 30.7429 k = 0.4357 0.4357 0.4357 ( 2257 PWs) bands (ev): -0.6504 -0.6504 -0.6482 -0.6482 0.3253 0.3253 0.3930 0.3930 0.3951 0.3951 8.8587 8.8587 10.5599 10.5599 10.6974 10.6974 11.0801 11.0801 11.2711 11.2711 15.9904 15.9904 16.2622 16.2622 16.2807 16.2807 16.7794 16.7794 16.8537 16.8537 17.2262 17.2262 17.4297 17.4297 17.6088 17.6088 18.0501 18.0501 19.4325 19.4325 19.4459 19.4459 20.7435 20.7435 21.2703 21.2703 21.2800 21.2800 23.4178 23.4178 24.1485 24.1485 24.1487 24.1487 24.3076 24.3076 30.7247 30.7247 k = 0.4429 0.4429 0.4429 ( 2254 PWs) bands (ev): -0.6506 -0.6506 -0.6488 -0.6488 0.3244 0.3244 0.3932 0.3932 0.3949 0.3949 8.9567 8.9567 10.5304 10.5304 10.6600 10.6600 11.0058 11.0058 11.2521 11.2521 16.0653 16.0653 16.2785 16.2785 16.2939 16.2939 16.8157 16.8157 16.8987 16.8987 17.2314 17.2314 17.4402 17.4402 17.5927 17.5927 18.0081 18.0081 19.4188 19.4188 19.4327 19.4327 20.7249 20.7249 21.2554 21.2554 21.2644 21.2644 23.4297 23.4297 24.1390 24.1390 24.1415 24.1415 24.2409 24.2409 30.7020 30.7020 k = 0.4500 0.4500 0.4500 ( 2260 PWs) bands (ev): -0.6508 -0.6508 -0.6494 -0.6494 0.3236 0.3236 0.3933 0.3933 0.3946 0.3946 9.0513 9.0513 10.5043 10.5043 10.6239 10.6239 10.9339 10.9339 11.2363 11.2363 16.1301 16.1301 16.2918 16.2918 16.3040 16.3040 16.8599 16.8599 16.9459 16.9459 17.2367 17.2367 17.4501 17.4501 17.5731 17.5731 17.9648 17.9648 19.4051 19.4051 19.4182 19.4182 20.7079 20.7079 21.2435 21.2435 21.2514 21.2514 23.4314 23.4314 24.1309 24.1309 24.1353 24.1353 24.1906 24.1906 30.6767 30.6767 k = 0.4571 0.4571 0.4571 ( 2266 PWs) bands (ev): -0.6509 -0.6509 -0.6499 -0.6499 0.3229 0.3229 0.3934 0.3934 0.3944 0.3944 9.1415 9.1415 10.4817 10.4817 10.5881 10.5881 10.8673 10.8673 11.2230 11.2230 16.1840 16.1840 16.3023 16.3023 16.3115 16.3115 16.9121 16.9121 16.9944 16.9944 17.2420 17.2420 17.4576 17.4576 17.5500 17.5500 17.9210 17.9210 19.3918 19.3918 19.4032 19.4032 20.6927 20.6927 21.2342 21.2342 21.2407 21.2407 23.4243 23.4243 24.1241 24.1241 24.1301 24.1301 24.1556 24.1556 30.6506 30.6506 k = 0.4643 0.4643 0.4643 ( 2272 PWs) bands (ev): -0.6511 -0.6511 -0.6503 -0.6503 0.3223 0.3223 0.3935 0.3935 0.3942 0.3942 9.2257 9.2257 10.4626 10.4626 10.5519 10.5519 10.8087 10.8087 11.2118 11.2118 16.2271 16.2271 16.3104 16.3104 16.3169 16.3169 16.9708 16.9708 17.0435 17.0435 17.2472 17.2472 17.4611 17.4611 17.5235 17.5235 17.8779 17.8779 19.3796 19.3796 19.3887 19.3887 20.6796 20.6796 21.2271 21.2271 21.2320 21.2320 23.4110 23.4110 24.1182 24.1182 24.1258 24.1258 24.1338 24.1338 30.6254 30.6254 k = 0.4714 0.4714 0.4714 ( 2272 PWs) bands (ev): -0.6512 -0.6512 -0.6507 -0.6507 0.3218 0.3218 0.3936 0.3936 0.3941 0.3941 9.3019 9.3019 10.4469 10.4469 10.5152 10.5152 10.7604 10.7604 11.2026 11.2026 16.2600 16.2600 16.3166 16.3166 16.3206 16.3206 17.0337 17.0337 17.0921 17.0921 17.2521 17.2521 17.4585 17.4585 17.4941 17.4941 17.8377 17.8377 19.3689 19.3689 19.3754 19.3754 20.6687 20.6687 21.2218 21.2218 21.2252 21.2252 23.3945 23.3945 24.1123 24.1123 24.1224 24.1224 24.1227 24.1227 30.6027 30.6027 k = 0.4786 0.4786 0.4786 ( 2272 PWs) bands (ev): -0.6513 -0.6513 -0.6510 -0.6510 0.3214 0.3214 0.3937 0.3937 0.3939 0.3939 9.3673 9.3673 10.4347 10.4347 10.4794 10.4794 10.7238 10.7238 11.1955 11.1955 16.2840 16.2840 16.3211 16.3211 16.3231 16.3231 17.0977 17.0977 17.1388 17.1388 17.2562 17.2562 17.4480 17.4480 17.4629 17.4629 17.8028 17.8028 19.3602 19.3602 19.3642 19.3642 20.6601 20.6601 21.2180 21.2180 21.2201 21.2201 23.3783 23.3783 24.1070 24.1070 24.1184 24.1184 24.1198 24.1198 30.5836 30.5836 k = 0.4857 0.4857 0.4857 ( 2272 PWs) bands (ev): -0.6513 -0.6513 -0.6512 -0.6512 0.3211 0.3211 0.3937 0.3937 0.3938 0.3938 9.4184 9.4184 10.4259 10.4259 10.4483 10.4483 10.6988 10.6988 11.1904 11.1904 16.3000 16.3000 16.3242 16.3242 16.3248 16.3248 17.1580 17.1580 17.1811 17.1811 17.2595 17.2595 17.4293 17.4293 17.4318 17.4318 17.7761 17.7761 19.3537 19.3537 19.3556 19.3556 20.6539 20.6539 21.2155 21.2155 21.2165 21.2165 23.3648 23.3648 24.1035 24.1035 24.1169 24.1169 24.1180 24.1180 30.5693 30.5693 k = 0.4929 0.4929 0.4929 ( 2272 PWs) bands (ev): -0.6514 -0.6514 -0.6513 -0.6513 0.3209 0.3209 0.3938 0.3938 0.3938 0.3938 9.4514 9.4514 10.4207 10.4207 10.4267 10.4267 10.6844 10.6844 11.1874 11.1874 16.3089 16.3089 16.3259 16.3259 16.3260 16.3260 17.2067 17.2067 17.2139 17.2139 17.2616 17.2616 17.4058 17.4058 17.4067 17.4067 17.7596 17.7596 19.3498 19.3498 19.3503 19.3503 20.6501 20.6501 21.2141 21.2141 21.2143 21.2143 23.3560 23.3560 24.1016 24.1016 24.1165 24.1165 24.1169 24.1169 30.5604 30.5604 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -0.6514 -0.6514 -0.6514 -0.6514 0.3208 0.3208 0.3938 0.3938 0.3938 0.3938 9.4628 9.4628 10.4190 10.4190 10.4190 10.4190 10.6797 10.6797 11.1863 11.1863 16.3117 16.3117 16.3265 16.3265 16.3265 16.3265 17.2273 17.2273 17.2273 17.2273 17.2625 17.2625 17.3947 17.3947 17.3947 17.3947 17.7540 17.7540 19.3484 19.3484 19.3484 19.3484 20.6489 20.6489 21.2136 21.2136 21.2136 21.2136 23.3529 23.3529 24.1011 24.1011 24.1165 24.1165 24.1165 24.1165 30.5574 30.5574 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -0.6514 -0.6514 -0.6514 -0.6514 0.3208 0.3208 0.3938 0.3938 0.3938 0.3938 9.4628 9.4628 10.4190 10.4190 10.4190 10.4190 10.6797 10.6797 11.1863 11.1863 16.3117 16.3117 16.3265 16.3265 16.3265 16.3265 17.2273 17.2273 17.2273 17.2273 17.2625 17.2625 17.3947 17.3947 17.3947 17.3947 17.7540 17.7540 19.3484 19.3484 19.3484 19.3484 20.6489 20.6489 21.2136 21.2136 21.2136 21.2136 23.3529 23.3529 24.1011 24.1011 24.1165 24.1165 24.1165 24.1165 30.5574 30.5574 k = 0.4914 0.5000 0.4914 ( 2272 PWs) bands (ev): -0.6514 -0.6514 -0.6513 -0.6513 0.3209 0.3209 0.3938 0.3938 0.3938 0.3938 9.4517 9.4517 10.4204 10.4204 10.4268 10.4268 10.6843 10.6843 11.1873 11.1873 16.3090 16.3090 16.3258 16.3258 16.3262 16.3262 17.2077 17.2077 17.2139 17.2139 17.2617 17.2617 17.4029 17.4029 17.4089 17.4089 17.7594 17.7594 19.3492 19.3492 19.3507 19.3507 20.6501 20.6501 21.2134 21.2134 21.2150 21.2150 23.3559 23.3559 24.1015 24.1015 24.1158 24.1158 24.1177 24.1177 30.5603 30.5603 k = 0.4828 0.5000 0.4828 ( 2272 PWs) bands (ev): -0.6513 -0.6513 -0.6512 -0.6512 0.3211 0.3211 0.3937 0.3937 0.3938 0.3938 9.4198 9.4198 10.4246 10.4246 10.4484 10.4484 10.6984 10.6984 11.1903 11.1903 16.3004 16.3004 16.3234 16.3234 16.3256 16.3256 17.1603 17.1603 17.1818 17.1818 17.2602 17.2602 17.4174 17.4174 17.4413 17.4413 17.7755 17.7755 19.3516 19.3516 19.3573 19.3573 20.6537 20.6537 21.2128 21.2128 21.2191 21.2191 23.3646 23.3646 24.1019 24.1019 24.1137 24.1137 24.1226 24.1226 30.5689 30.5689 k = 0.4741 0.5000 0.4741 ( 2272 PWs) bands (ev): -0.6513 -0.6513 -0.6510 -0.6510 0.3213 0.3213 0.3937 0.3937 0.3940 0.3940 9.3703 9.3703 10.4314 10.4314 10.4794 10.4794 10.7234 10.7234 11.1953 11.1953 16.2853 16.2853 16.3190 16.3190 16.3249 16.3249 17.0997 17.0997 17.1430 17.1430 17.2580 17.2580 17.4259 17.4259 17.4797 17.4797 17.8015 17.8015 19.3556 19.3556 19.3680 19.3680 20.6597 20.6597 21.2117 21.2117 21.2260 21.2260 23.3782 23.3782 24.1008 24.1008 24.1103 24.1103 24.1332 24.1332 30.5828 30.5828 k = 0.4655 0.5000 0.4655 ( 2272 PWs) bands (ev): -0.6512 -0.6512 -0.6508 -0.6508 0.3217 0.3217 0.3936 0.3936 0.3941 0.3941 9.3071 9.3071 10.4406 10.4406 10.5147 10.5147 10.7606 10.7606 11.2022 11.2022 16.2633 16.2633 16.3119 16.3119 16.3242 16.3242 17.0335 17.0335 17.1038 17.1038 17.2546 17.2546 17.4246 17.4246 17.5188 17.5188 17.8352 17.8352 19.3610 19.3610 19.3821 19.3821 20.6679 20.6679 21.2103 21.2103 21.2360 21.2360 23.3955 23.3955 24.0982 24.0982 24.1060 24.1060 24.1508 24.1508 30.6012 30.6012 k = 0.4569 0.5000 0.4569 ( 2268 PWs) bands (ev): -0.6510 -0.6510 -0.6504 -0.6504 0.3222 0.3222 0.3935 0.3935 0.3943 0.3943 9.2338 9.2338 10.4519 10.4519 10.5505 10.5505 10.8106 10.8106 11.2110 11.2110 16.2339 16.2339 16.3007 16.3007 16.3234 16.3234 16.9658 16.9658 17.0672 17.0672 17.2496 17.2496 17.4145 17.4145 17.5563 17.5563 17.8736 17.8736 19.3676 19.3676 19.3990 19.3990 20.6783 20.6783 21.2087 21.2087 21.2491 21.2491 23.4149 23.4149 24.0943 24.0943 24.1010 24.1010 24.1768 24.1768 30.6231 30.6231 k = 0.4483 0.5000 0.4483 ( 2266 PWs) bands (ev): -0.6509 -0.6509 -0.6500 -0.6500 0.3228 0.3228 0.3933 0.3933 0.3945 0.3945 9.1532 9.1532 10.4649 10.4649 10.5858 10.5858 10.8719 10.8719 11.2218 11.2218 16.1969 16.1969 16.2839 16.2839 16.3224 16.3224 16.9001 16.9001 17.0352 17.0352 17.2417 17.2417 17.3986 17.3986 17.5912 17.5912 17.9138 17.9138 19.3755 19.3755 19.4178 19.4178 20.6904 20.6904 21.2071 21.2071 21.2658 21.2658 23.4342 23.4342 24.0897 24.0897 24.0954 24.0954 24.2128 24.2128 30.6472 30.6472 k = 0.4397 0.5000 0.4397 ( 2262 PWs) bands (ev): -0.6507 -0.6507 -0.6495 -0.6495 0.3235 0.3235 0.3932 0.3932 0.3948 0.3948 9.0673 9.0673 10.4792 10.4792 10.6210 10.6210 10.9423 10.9423 11.2345 11.2345 16.1523 16.1523 16.2595 16.2595 16.3211 16.3211 16.8390 16.8390 17.0088 17.0088 17.2295 17.2295 17.3806 17.3806 17.6228 17.6228 17.9535 17.9535 19.3843 19.3843 19.4378 19.4378 20.7041 20.7041 21.2056 21.2056 21.2863 21.2863 23.4516 23.4516 24.0846 24.0846 24.0896 24.0896 24.2606 24.2606 30.6718 30.6718 k = 0.4310 0.5000 0.4310 ( 2266 PWs) bands (ev): -0.6505 -0.6505 -0.6490 -0.6490 0.3243 0.3243 0.3930 0.3930 0.3951 0.3951 8.9776 8.9776 10.4946 10.4946 10.6575 10.6575 11.0191 11.0191 11.2490 11.2490 16.1003 16.1003 16.2258 16.2258 16.3196 16.3196 16.7854 16.7854 16.9884 16.9884 17.2109 17.2109 17.3644 17.3644 17.6509 17.6509 17.9912 17.9912 19.3939 19.3939 19.4580 19.4580 20.7189 20.7189 21.2044 21.2044 21.3110 21.3110 23.4650 23.4650 24.0788 24.0788 24.0843 24.0843 24.3217 24.3217 30.6951 30.6951 k = 0.4224 0.5000 0.4224 ( 2268 PWs) bands (ev): -0.6503 -0.6503 -0.6484 -0.6484 0.3252 0.3252 0.3928 0.3928 0.3954 0.3954 8.8852 8.8852 10.5106 10.5106 10.6964 10.6964 11.1003 11.1003 11.2654 11.2654 16.0415 16.0415 16.1813 16.1813 16.3178 16.3178 16.7408 16.7408 16.9737 16.9737 17.1846 17.1846 17.3528 17.3528 17.6756 17.6756 18.0258 18.0258 19.4042 19.4042 19.4776 19.4776 20.7344 20.7344 21.2039 21.2039 21.3404 21.3404 23.4733 23.4733 24.0719 24.0719 24.0809 24.0809 24.3971 24.3971 30.7150 30.7150 k = 0.4138 0.5000 0.4138 ( 2260 PWs) bands (ev): -0.6500 -0.6500 -0.6478 -0.6478 0.3262 0.3262 0.3925 0.3925 0.3957 0.3957 8.7909 8.7909 10.5273 10.5273 10.7385 10.7385 11.1843 11.1843 11.2836 11.2836 15.9769 15.9769 16.1262 16.1262 16.3156 16.3156 16.7057 16.7057 16.9639 16.9639 17.1511 17.1511 17.3471 17.3471 17.6969 17.6969 18.0566 18.0566 19.4148 19.4148 19.4960 19.4960 20.7498 20.7498 21.2042 21.2042 21.3749 21.3749 23.4760 23.4760 24.0637 24.0637 24.0800 24.0800 24.4870 24.4870 30.7295 30.7295 k = 0.4052 0.5000 0.4052 ( 2252 PWs) bands (ev): -0.6497 -0.6497 -0.6471 -0.6471 0.3272 0.3272 0.3923 0.3923 0.3961 0.3961 8.6953 8.6953 10.5443 10.5443 10.7842 10.7842 11.2693 11.2693 11.3044 11.3044 15.9074 15.9074 16.0615 16.0615 16.3131 16.3131 16.6790 16.6790 16.9576 16.9576 17.1125 17.1125 17.3470 17.3470 17.7151 17.7151 18.0832 18.0832 19.4255 19.4255 19.5126 19.5126 20.7647 20.7647 21.2058 21.2058 21.4148 21.4148 23.4729 23.4729 24.0545 24.0545 24.0820 24.0820 24.5911 24.5911 30.7365 30.7365 k = 0.3966 0.5000 0.3966 ( 2252 PWs) bands (ev): -0.6495 -0.6495 -0.6464 -0.6464 0.3284 0.3284 0.3920 0.3920 0.3965 0.3965 8.5990 8.5990 10.5618 10.5618 10.8339 10.8339 11.3229 11.3229 11.3591 11.3591 15.8341 15.8341 15.9891 15.9891 16.3102 16.3102 16.6590 16.6590 16.9520 16.9520 17.0726 17.0726 17.3519 17.3519 17.7304 17.7304 18.1055 18.1055 19.4362 19.4362 19.5270 19.5270 20.7782 20.7782 21.2088 21.2088 21.4605 21.4605 23.4645 23.4645 24.0446 24.0446 24.0874 24.0874 24.7085 24.7085 30.7342 30.7342 k = 0.3879 0.5000 0.3879 ( 2252 PWs) bands (ev): -0.6491 -0.6491 -0.6456 -0.6456 0.3295 0.3295 0.3916 0.3916 0.3969 0.3969 8.5022 8.5022 10.5794 10.5794 10.8876 10.8876 11.3468 11.3468 11.4455 11.4455 15.7580 15.7580 15.9111 15.9111 16.3069 16.3069 16.6436 16.6436 16.9412 16.9412 17.0378 17.0378 17.3612 17.3612 17.7433 17.7433 18.1235 18.1235 19.4465 19.4465 19.5387 19.5387 20.7897 20.7897 21.2137 21.2137 21.5123 21.5123 23.4513 23.4513 24.0338 24.0338 24.0970 24.0970 24.8383 24.8383 30.7212 30.7212 k = 0.3793 0.5000 0.3793 ( 2248 PWs) bands (ev): -0.6488 -0.6488 -0.6449 -0.6449 0.3308 0.3308 0.3913 0.3913 0.3974 0.3974 8.4052 8.4052 10.5973 10.5973 10.9454 10.9454 11.3715 11.3715 11.5325 11.5325 15.6802 15.6802 15.8291 15.8291 16.3032 16.3032 16.6308 16.6308 16.9162 16.9162 17.0173 17.0173 17.3748 17.3748 17.7543 17.7543 18.1372 18.1372 19.4562 19.4562 19.5476 19.5476 20.7986 20.7986 21.2204 21.2204 21.5701 21.5701 23.4342 23.4342 24.0223 24.0223 24.1113 24.1113 24.9795 24.9795 30.6967 30.6967 k = 0.3707 0.5000 0.3707 ( 2248 PWs) bands (ev): -0.6485 -0.6485 -0.6441 -0.6441 0.3321 0.3321 0.3909 0.3909 0.3978 0.3978 8.3084 8.3084 10.6154 10.6154 11.0071 11.0071 11.3976 11.3976 11.6193 11.6193 15.6014 15.6014 15.7447 15.7447 16.2991 16.2991 16.6189 16.6189 16.8768 16.8768 17.0118 17.0118 17.3925 17.3925 17.7640 17.7640 18.1471 18.1471 19.4651 19.4651 19.5537 19.5537 20.8046 20.8046 21.2291 21.2291 21.6342 21.6342 23.4137 23.4137 24.0101 24.0101 24.1310 24.1310 25.1309 25.1309 30.6605 30.6605 k = 0.3621 0.5000 0.3621 ( 2242 PWs) bands (ev): -0.6482 -0.6482 -0.6433 -0.6433 0.3334 0.3334 0.3905 0.3905 0.3982 0.3982 8.2119 8.2119 10.6335 10.6335 11.0728 11.0728 11.4251 11.4251 11.7054 11.7054 15.5224 15.5224 15.6590 15.6590 16.2945 16.2945 16.6058 16.6058 16.8310 16.8310 17.0139 17.0139 17.4139 17.4139 17.7730 17.7730 18.1535 18.1535 19.4729 19.4729 19.5569 19.5569 20.8073 20.8073 21.2397 21.2397 21.7041 21.7041 23.3905 23.3905 23.9972 23.9972 24.1566 24.1566 25.2916 25.2916 30.6129 30.6129 k = 0.3534 0.5000 0.3534 ( 2242 PWs) bands (ev): -0.6478 -0.6478 -0.6425 -0.6425 0.3348 0.3348 0.3901 0.3901 0.3987 0.3987 8.1159 8.1159 10.6516 10.6516 11.1422 11.1422 11.4538 11.4538 11.7906 11.7906 15.4438 15.4438 15.5729 15.5729 16.2894 16.2894 16.5897 16.5897 16.7847 16.7847 17.0188 17.0188 17.4387 17.4387 17.7824 17.7824 18.1569 18.1569 19.4794 19.4794 19.5575 19.5575 20.8068 20.8068 21.2519 21.2519 21.7799 21.7799 23.3652 23.3652 23.9837 23.9837 24.1885 24.1885 25.4606 25.4606 30.5545 30.5545 k = 0.3448 0.5000 0.3448 ( 2242 PWs) bands (ev): -0.6475 -0.6475 -0.6417 -0.6417 0.3361 0.3361 0.3896 0.3896 0.3991 0.3991 8.0206 8.0206 10.6695 10.6695 11.2152 11.2152 11.4839 11.4839 11.8747 11.8747 15.3660 15.3660 15.4875 15.4875 16.2837 16.2837 16.5677 16.5677 16.7416 16.7416 17.0249 17.0249 17.4658 17.4658 17.7932 17.7932 18.1578 18.1578 19.4841 19.4841 19.5556 19.5556 20.8033 20.8033 21.2654 21.2654 21.8611 21.8611 23.3383 23.3383 23.9694 23.9694 24.2272 24.2272 25.6371 25.6371 30.4865 30.4865 k = 0.3362 0.5000 0.3362 ( 2238 PWs) bands (ev): -0.6472 -0.6472 -0.6409 -0.6409 0.3376 0.3376 0.3891 0.3891 0.3995 0.3995 7.9262 7.9262 10.6872 10.6872 11.2917 11.2917 11.5152 11.5152 11.9576 11.9576 15.2890 15.2890 15.4037 15.4037 16.2775 16.2775 16.5377 16.5377 16.7046 16.7046 17.0313 17.0313 17.4941 17.4941 17.8065 17.8065 18.1569 18.1569 19.4869 19.4869 19.5517 19.5517 20.7968 20.7968 21.2799 21.2799 21.9472 21.9472 23.3103 23.3103 23.9545 23.9545 24.2731 24.2731 25.8202 25.8202 30.4098 30.4098 k = 0.3276 0.5000 0.3276 ( 2238 PWs) bands (ev): -0.6468 -0.6468 -0.6401 -0.6401 0.3390 0.3390 0.3886 0.3886 0.3999 0.3999 7.8326 7.8326 10.7044 10.7044 11.3713 11.3713 11.5478 11.5478 12.0392 12.0392 15.2126 15.2126 15.3228 15.3228 16.2704 16.2704 16.4987 16.4987 16.6746 16.6746 17.0376 17.0376 17.5223 17.5223 17.8237 17.8237 18.1551 18.1551 19.4872 19.4872 19.5463 19.5463 20.7877 20.7877 21.2949 21.2949 22.0380 22.0380 23.2816 23.2816 23.9389 23.9389 24.3264 24.3264 26.0091 26.0091 30.3256 30.3256 k = 0.3190 0.5000 0.3190 ( 2234 PWs) bands (ev): -0.6465 -0.6465 -0.6394 -0.6394 0.3404 0.3404 0.3881 0.3881 0.4003 0.4003 7.7402 7.7402 10.7211 10.7211 11.4535 11.4535 11.5821 11.5821 12.1192 12.1192 15.1361 15.1361 15.2461 15.2461 16.2625 16.2625 16.4525 16.4525 16.6503 16.6503 17.0439 17.0439 17.5488 17.5488 17.8456 17.8456 18.1533 18.1533 19.4844 19.4844 19.5401 19.5401 20.7762 20.7762 21.3102 21.3102 22.1328 22.1328 23.2527 23.2527 23.9226 23.9226 24.3872 24.3872 26.2030 26.2030 30.2350 30.2350 k = 0.3103 0.5000 0.3103 ( 2242 PWs) bands (ev): -0.6462 -0.6462 -0.6386 -0.6386 0.3419 0.3419 0.3875 0.3875 0.4007 0.4007 7.6490 7.6490 10.7369 10.7369 11.5367 11.5367 11.6194 11.6194 12.1977 12.1977 15.0589 15.0589 15.1751 15.1751 16.2533 16.2533 16.4014 16.4014 16.6293 16.6293 17.0499 17.0499 17.5726 17.5726 17.8724 17.8724 18.1530 18.1530 19.4782 19.4782 19.5336 19.5336 20.7627 20.7627 21.3255 21.3255 22.2311 22.2311 23.2242 23.2242 23.9057 23.9057 24.4556 24.4556 26.4011 26.4011 30.1387 30.1387 k = 0.3017 0.5000 0.3017 ( 2246 PWs) bands (ev): -0.6459 -0.6459 -0.6379 -0.6379 0.3433 0.3433 0.3869 0.3869 0.4010 0.4010 7.5590 7.5590 10.7518 10.7518 11.6142 11.6142 11.6662 11.6662 12.2746 12.2746 14.9807 14.9807 15.1108 15.1108 16.2423 16.2423 16.3478 16.3478 16.6098 16.6098 17.0558 17.0558 17.5933 17.5933 17.9027 17.9027 18.1561 18.1561 19.4685 19.4685 19.5272 19.5272 20.7475 20.7475 21.3408 21.3408 22.3323 22.3323 23.1966 23.1966 23.8881 23.8881 24.5315 24.5315 26.6027 26.6027 30.0370 30.0370 k = 0.2931 0.5000 0.2931 ( 2234 PWs) bands (ev): -0.6456 -0.6456 -0.6373 -0.6373 0.3447 0.3447 0.3862 0.3862 0.4013 0.4013 7.4705 7.4705 10.7657 10.7657 11.6691 11.6691 11.7391 11.7391 12.3498 12.3498 14.9016 14.9016 15.0535 15.0535 16.2285 16.2285 16.2938 16.2938 16.5911 16.5911 17.0614 17.0614 17.6114 17.6114 17.9332 17.9332 18.1660 18.1660 19.4554 19.4554 19.5208 19.5208 20.7307 20.7307 21.3559 21.3559 22.4355 22.4355 23.1706 23.1706 23.8698 23.8698 24.6148 24.6148 26.8067 26.8067 29.9285 29.9285 k = 0.2845 0.5000 0.2845 ( 2230 PWs) bands (ev): -0.6453 -0.6453 -0.6366 -0.6366 0.3461 0.3461 0.3855 0.3855 0.4015 0.4015 7.3834 7.3834 10.7782 10.7782 11.7103 11.7103 11.8289 11.8289 12.4232 12.4232 14.8222 14.8222 15.0031 15.0031 16.2073 16.2073 16.2445 16.2445 16.5728 16.5728 17.0667 17.0667 17.6275 17.6275 17.9594 17.9594 18.1863 18.1863 19.4397 19.4397 19.5141 19.5141 20.7128 20.7128 21.3708 21.3708 22.5395 22.5395 23.1474 23.1474 23.8508 23.8508 24.7053 24.7053 27.0122 27.0122 29.7971 29.7971 k = 0.2759 0.5000 0.2759 ( 2228 PWs) bands (ev): -0.6451 -0.6451 -0.6360 -0.6360 0.3475 0.3475 0.3848 0.3848 0.4018 0.4018 7.2980 7.2980 10.7892 10.7892 11.7489 11.7489 11.9244 11.9244 12.4949 12.4949 14.7432 14.7432 14.9595 14.9595 16.1665 16.1665 16.2120 16.2120 16.5551 16.5551 17.0716 17.0716 17.6426 17.6426 17.9776 17.9776 18.2201 18.2201 19.4219 19.4219 19.5068 19.5068 20.6938 20.6938 21.3856 21.3856 22.6423 22.6423 23.1288 23.1288 23.8312 23.8312 24.8028 24.8028 27.2180 27.2180 29.6211 29.6211 k = 0.2672 0.5000 0.2672 ( 2236 PWs) bands (ev): -0.6448 -0.6448 -0.6355 -0.6355 0.3489 0.3489 0.3841 0.3841 0.4020 0.4020 7.2142 7.2142 10.7986 10.7986 11.7870 11.7870 12.0229 12.0229 12.5647 12.5647 14.6653 14.6653 14.9222 14.9222 16.1137 16.1137 16.1888 16.1888 16.5383 16.5383 17.0760 17.0760 17.6575 17.6575 17.9876 17.9876 18.2666 18.2666 19.4025 19.4025 19.4986 19.4986 20.6740 20.6740 21.4005 21.4005 22.7397 22.7397 23.1186 23.1186 23.8110 23.8110 24.9067 24.9067 27.4223 27.4223 29.4339 29.4339 k = 0.2586 0.5000 0.2586 ( 2236 PWs) bands (ev): -0.6447 -0.6447 -0.6349 -0.6349 0.3502 0.3502 0.3833 0.3833 0.4021 0.4021 7.1322 7.1322 10.8062 10.8062 11.8254 11.8254 12.1234 12.1234 12.6327 12.6327 14.5890 14.5890 14.8913 14.8913 16.0588 16.0588 16.1646 16.1646 16.5231 16.5231 17.0799 17.0799 17.6727 17.6727 17.9915 17.9915 18.3229 18.3229 19.3819 19.3819 19.4894 19.4894 20.6537 20.6537 21.4157 21.4157 22.8233 22.8233 23.1250 23.1250 23.7904 23.7904 25.0168 25.0168 27.6232 27.6232 29.2473 29.2473 k = 0.2500 0.5000 0.2500 ( 2232 PWs) bands (ev): -0.6445 -0.6445 -0.6344 -0.6344 0.3516 0.3516 0.3825 0.3825 0.4022 0.4022 7.0520 7.0520 10.8120 10.8120 11.8641 11.8641 12.2255 12.2255 12.6989 12.6989 14.5148 14.5148 14.8664 14.8664 16.0039 16.0039 16.1373 16.1373 16.5097 16.5097 17.0830 17.0830 17.6884 17.6884 17.9921 17.9921 18.3856 18.3856 19.3606 19.3606 19.4794 19.4794 20.6333 20.6333 21.4312 21.4312 22.8800 22.8800 23.1605 23.1605 23.7699 23.7699 25.1327 25.1327 27.8175 27.8175 29.0637 29.0637 k = 0.2414 0.5000 0.2414 ( 2232 PWs) bands (ev): -0.6444 -0.6444 -0.6340 -0.6340 0.3528 0.3528 0.3816 0.3816 0.4023 0.4023 6.9738 6.9738 10.8159 10.8159 11.9031 11.9031 12.3286 12.3286 12.7634 12.7634 14.4431 14.4431 14.8473 14.8473 15.9496 15.9496 16.1064 16.1064 16.4987 16.4987 17.0854 17.0854 17.7046 17.7046 17.9914 17.9914 18.4519 18.4519 19.3390 19.3390 19.4685 19.4685 20.6128 20.6128 21.4472 21.4472 22.9047 22.9047 23.2287 23.2287 23.7504 23.7504 25.2538 25.2538 28.0004 28.0004 28.8844 28.8844 k = 0.2328 0.5000 0.2328 ( 2226 PWs) bands (ev): -0.6443 -0.6443 -0.6335 -0.6335 0.3541 0.3541 0.3808 0.3808 0.4023 0.4023 6.8975 6.8975 10.8178 10.8178 11.9426 11.9426 12.4320 12.4320 12.8264 12.8264 14.3746 14.3746 14.8339 14.8339 15.8961 15.8961 16.0716 16.0716 16.4902 16.4902 17.0871 17.0871 17.7211 17.7211 17.9911 17.9911 18.5195 18.5195 19.3175 19.3175 19.4571 19.4571 20.5928 20.5928 21.4640 21.4640 22.9090 22.9090 23.3155 23.3155 23.7346 23.7346 25.3796 25.3796 28.1643 28.1643 28.7113 28.7113 k = 0.2241 0.5000 0.2241 ( 2226 PWs) bands (ev): -0.6443 -0.6443 -0.6331 -0.6331 0.3553 0.3553 0.3799 0.3799 0.4022 0.4022 6.8233 6.8233 10.8177 10.8177 11.9824 11.9824 12.5347 12.5347 12.8881 12.8881 14.3096 14.3096 14.8257 14.8257 15.8437 15.8437 16.0333 16.0333 16.4842 16.4842 17.0881 17.0881 17.7374 17.7374 17.9924 17.9924 18.5863 18.5863 19.2965 19.2965 19.4457 19.4457 20.5736 20.5736 21.4817 21.4817 22.9043 22.9043 23.4028 23.4028 23.7286 23.7286 25.5096 25.5096 28.2939 28.2939 28.5503 28.5503 k = 0.2155 0.5000 0.2155 ( 2218 PWs) bands (ev): -0.6443 -0.6443 -0.6328 -0.6328 0.3565 0.3565 0.3789 0.3789 0.4022 0.4022 6.7513 6.7513 10.8157 10.8157 12.0227 12.0227 12.6355 12.6355 12.9492 12.9492 14.2488 14.2488 14.8225 14.8225 15.7925 15.7925 15.9916 15.9916 16.4806 16.4806 17.0884 17.0884 17.7529 17.7529 17.9965 17.9965 18.6503 18.6503 19.2765 19.2765 19.4349 19.4349 20.5556 20.5556 21.5005 21.5005 22.8966 22.8966 23.4696 23.4696 23.7472 23.7472 25.6433 25.6433 28.3207 28.3207 28.4570 28.4570 k = 0.2069 0.5000 0.2069 ( 2224 PWs) bands (ev): -0.6444 -0.6444 -0.6324 -0.6324 0.3576 0.3576 0.3780 0.3780 0.4021 0.4021 6.6815 6.6815 10.8118 10.8118 12.0632 12.0632 12.7323 12.7323 13.0110 13.0110 14.1930 14.1930 14.8238 14.8238 15.7427 15.7427 15.9470 15.9470 16.4793 16.4793 17.0882 17.0882 17.7668 17.7668 18.0042 18.0042 18.7092 18.7092 19.2576 19.2576 19.4259 19.4259 20.5394 20.5394 21.5203 21.5203 22.8886 22.8886 23.4970 23.4970 23.8062 23.8062 25.7800 25.7800 28.1936 28.1936 28.4702 28.4702 k = 0.1983 0.5000 0.1983 ( 2228 PWs) bands (ev): -0.6445 -0.6445 -0.6321 -0.6321 0.3587 0.3587 0.3770 0.3770 0.4020 0.4020 6.6139 6.6139 10.8062 10.8062 12.1040 12.1040 12.8221 12.8221 13.0755 13.0755 14.1428 14.1428 14.8292 14.8292 15.6943 15.6943 15.8999 15.8999 16.4800 16.4800 17.0876 17.0876 17.7785 17.7785 18.0165 18.0165 18.7605 18.7605 19.2401 19.2401 19.4202 19.4202 20.5257 20.5257 21.5413 21.5413 22.8816 22.8816 23.4900 23.4900 23.8990 23.8990 25.9189 25.9189 28.0484 28.0484 28.4513 28.4513 k = 0.1897 0.5000 0.1897 ( 2228 PWs) bands (ev): -0.6446 -0.6446 -0.6318 -0.6318 0.3597 0.3597 0.3760 0.3760 0.4018 0.4018 6.5488 6.5488 10.7989 10.7989 12.1450 12.1450 12.9010 12.9010 13.1458 13.1458 14.0993 14.0993 14.8382 14.8382 15.6475 15.6475 15.8506 15.8506 16.4825 16.4825 17.0867 17.0867 17.7877 17.7877 18.0336 18.0336 18.8017 18.8017 19.2234 19.2234 19.4199 19.4199 20.5151 20.5151 21.5635 21.5635 22.8762 22.8762 23.4644 23.4644 24.0085 24.0085 26.0592 26.0592 27.9078 27.9078 28.3885 28.3885 k = 0.1810 0.5000 0.1810 ( 2228 PWs) bands (ev): -0.6448 -0.6448 -0.6316 -0.6316 0.3607 0.3607 0.3750 0.3750 0.4016 0.4016 6.4860 6.4860 10.7902 10.7902 12.1860 12.1860 12.9655 12.9655 13.2239 13.2239 14.0634 14.0634 14.8503 14.8503 15.6022 15.6022 15.7996 15.7996 16.4866 16.4866 17.0857 17.0857 17.7945 17.7945 18.0553 18.0553 18.8312 18.8312 19.2064 19.2064 19.4268 19.4268 20.5085 20.5085 21.5869 21.5869 22.8729 22.8729 23.4285 23.4285 24.1257 24.1257 26.2000 26.2000 27.7750 27.7750 28.2944 28.2944 k = 0.1724 0.5000 0.1724 ( 2234 PWs) bands (ev): -0.6451 -0.6451 -0.6313 -0.6313 0.3617 0.3617 0.3740 0.3740 0.4014 0.4014 6.4257 6.4257 10.7802 10.7802 12.2271 12.2271 13.0145 13.0145 13.3097 13.3097 14.0364 14.0364 14.8648 14.8648 15.5587 15.5587 15.7472 15.7472 16.4922 16.4922 17.0846 17.0846 17.7995 17.7995 18.0812 18.0812 18.8487 18.8487 19.1878 19.1878 19.4415 19.4415 20.5069 20.5069 21.6113 21.6113 22.8719 22.8719 23.3858 23.3858 24.2463 24.2463 26.3400 26.3400 27.6513 27.6513 28.1796 28.1796 k = 0.1638 0.5000 0.1638 ( 2236 PWs) bands (ev): -0.6454 -0.6454 -0.6311 -0.6311 0.3626 0.3626 0.3730 0.3730 0.4012 0.4012 6.3680 6.3680 10.7691 10.7691 12.2680 12.2680 13.0493 13.0493 13.4005 13.4005 14.0193 14.0193 14.8813 14.8813 15.5170 15.5170 15.6937 15.6937 16.4990 16.4990 17.0838 17.0838 17.8034 17.8034 18.1104 18.1104 18.8555 18.8555 19.1666 19.1666 19.4628 19.4628 20.5113 20.5113 21.6368 21.6368 22.8731 22.8731 23.3378 23.3378 24.3684 24.3684 26.4774 26.4774 27.5379 27.5379 28.0512 28.0512 k = 0.1552 0.5000 0.1552 ( 2228 PWs) bands (ev): -0.6457 -0.6457 -0.6308 -0.6308 0.3634 0.3634 0.3719 0.3719 0.4010 0.4010 6.3128 6.3128 10.7571 10.7571 12.3086 12.3086 13.0720 13.0720 13.4933 13.4933 14.0131 14.0131 14.8992 14.8992 15.4772 15.4772 15.6394 15.6394 16.5069 16.5069 17.0832 17.0832 17.8068 17.8068 18.1421 18.1421 18.8537 18.8537 19.1424 19.1424 19.4880 19.4880 20.5227 20.5227 21.6630 21.6630 22.8767 22.8767 23.2851 23.2851 24.4908 24.4908 26.6099 26.6099 27.4354 27.4354 27.9150 27.9150 k = 0.1466 0.5000 0.1466 ( 2224 PWs) bands (ev): -0.6460 -0.6460 -0.6306 -0.6306 0.3642 0.3642 0.3709 0.3709 0.4008 0.4008 6.2603 6.2603 10.7444 10.7444 12.3487 12.3487 13.0841 13.0841 13.5851 13.5851 14.0186 14.0186 14.9178 14.9178 15.4393 15.4393 15.5844 15.5844 16.5158 16.5158 17.0831 17.0831 17.8105 17.8105 18.1755 18.1755 18.8458 18.8458 19.1153 19.1153 19.5137 19.5137 20.5419 20.5419 21.6899 21.6899 22.8821 22.8821 23.2284 23.2284 24.6127 24.6127 26.7334 26.7334 27.3445 27.3445 27.7765 27.7765 k = 0.1379 0.5000 0.1379 ( 2224 PWs) bands (ev): -0.6464 -0.6464 -0.6304 -0.6304 0.3649 0.3649 0.3699 0.3699 0.4005 0.4005 6.2105 6.2105 10.7313 10.7313 12.3883 12.3883 13.0875 13.0875 13.6734 13.6734 14.0364 14.0364 14.9365 14.9365 15.4034 15.4034 15.5291 15.5291 16.5254 16.5254 17.0834 17.0834 17.8149 17.8149 18.2098 18.2098 18.8339 18.8339 19.0856 19.0856 19.5374 19.5374 20.5693 20.5693 21.7173 21.7173 22.8887 22.8887 23.1688 23.1688 24.7334 24.7334 26.8417 26.8417 27.2657 27.2657 27.6421 27.6421 k = 0.1293 0.5000 0.1293 ( 2224 PWs) bands (ev): -0.6468 -0.6468 -0.6303 -0.6303 0.3655 0.3655 0.3689 0.3689 0.4003 0.4003 6.1635 6.1635 10.7179 10.7179 12.4270 12.4270 13.0835 13.0835 13.7560 13.7560 14.0669 14.0669 14.9548 14.9548 15.3697 15.3697 15.4736 15.4736 16.5358 16.5358 17.0842 17.0842 17.8208 17.8208 18.2443 18.2443 18.8197 18.8197 19.0539 19.0539 19.5571 19.5571 20.6051 20.6051 21.7447 21.7447 22.8945 22.8945 23.1083 23.1083 24.8521 24.8521 26.9243 26.9243 27.1982 27.1982 27.5211 27.5211 k = 0.1207 0.5000 0.1207 ( 2220 PWs) bands (ev): -0.6472 -0.6472 -0.6301 -0.6301 0.3660 0.3660 0.3681 0.3681 0.4001 0.4001 6.1192 6.1192 10.7045 10.7045 12.4647 12.4647 13.0740 13.0740 13.8312 13.8312 14.1098 14.1098 14.9721 14.9721 15.3380 15.3380 15.4183 15.4183 16.5467 16.5467 17.0854 17.0854 17.8283 17.8283 18.2782 18.2782 18.8042 18.8042 19.0205 19.0205 19.5720 19.5720 20.6487 20.6487 21.7721 21.7721 22.8943 22.8943 23.0524 23.0524 24.9683 24.9683 26.9659 26.9659 27.1380 27.1380 27.4278 27.4278 k = 0.1121 0.5000 0.1121 ( 2208 PWs) bands (ev): -0.6476 -0.6476 -0.6299 -0.6299 0.3661 0.3661 0.3677 0.3677 0.3998 0.3998 6.0779 6.0779 10.6912 10.6912 12.5013 12.5013 13.0603 13.0603 13.8984 13.8984 14.1637 14.1637 14.9879 14.9879 15.3085 15.3085 15.3634 15.3634 16.5580 16.5580 17.0870 17.0870 17.8381 17.8381 18.3106 18.3106 18.7885 18.7885 18.9861 18.9861 19.5819 19.5819 20.6993 20.6993 21.7990 21.7990 22.8747 22.8747 23.0147 23.0147 25.0812 25.0812 26.9524 26.9524 27.0830 27.0830 27.3731 27.3731 k = 0.1034 0.5000 0.1034 ( 2212 PWs) bands (ev): -0.6480 -0.6480 -0.6298 -0.6298 0.3655 0.3655 0.3679 0.3679 0.3996 0.3996 6.0394 6.0394 10.6782 10.6782 12.5364 12.5364 13.0438 13.0438 13.9587 13.9587 14.2257 14.2257 15.0017 15.0017 15.2801 15.2801 15.3104 15.3104 16.5695 16.5695 17.0888 17.0888 17.8502 17.8502 18.3409 18.3409 18.7731 18.7731 18.9514 18.9514 19.5872 19.5872 20.7558 20.7558 21.8252 21.8252 22.8254 22.8254 23.0057 23.0057 25.1900 25.1900 26.8826 26.8826 27.0461 27.0461 27.3426 27.3426 k = 0.0948 0.5000 0.0948 ( 2212 PWs) bands (ev): -0.6485 -0.6485 -0.6297 -0.6297 0.3648 0.3648 0.3682 0.3682 0.3994 0.3994 6.0038 6.0038 10.6656 10.6656 12.5698 12.5698 13.0258 13.0258 14.0142 14.0142 14.2922 14.2922 15.0128 15.0128 15.2456 15.2456 15.2671 15.2671 16.5811 16.5811 17.0908 17.0908 17.8651 17.8651 18.3680 18.3680 18.7579 18.7579 18.9175 18.9175 19.5887 19.5887 20.8169 20.8169 21.8504 21.8504 22.7576 22.7576 23.0147 23.0147 25.2938 25.2938 26.7825 26.7825 27.0280 27.0280 27.3146 27.3146 k = 0.0862 0.5000 0.0862 ( 2216 PWs) bands (ev): -0.6489 -0.6489 -0.6295 -0.6295 0.3640 0.3640 0.3686 0.3686 0.3992 0.3992 5.9712 5.9712 10.6537 10.6537 12.6014 12.6014 13.0070 13.0070 14.0668 14.0668 14.3596 14.3596 15.0202 15.0202 15.1978 15.1978 15.2415 15.2415 16.5927 16.5927 17.0928 17.0928 17.8827 17.8827 18.3912 18.3912 18.7421 18.7421 18.8863 18.8863 19.5873 19.5873 20.8814 20.8814 21.8741 21.8741 22.6819 22.6819 23.0311 23.0311 25.3917 25.3917 26.6751 26.6751 27.0221 27.0221 27.2816 27.2816 k = 0.0776 0.5000 0.0776 ( 2216 PWs) bands (ev): -0.6493 -0.6493 -0.6294 -0.6294 0.3632 0.3632 0.3690 0.3690 0.3990 0.3990 5.9416 5.9416 10.6425 10.6425 12.6308 12.6308 12.9885 12.9885 14.1179 14.1179 14.4252 14.4252 15.0222 15.0222 15.1501 15.1501 15.2223 15.2223 16.6041 16.6041 17.0947 17.0947 17.9032 17.9032 18.4100 18.4100 18.7238 18.7238 18.8604 18.8604 19.5838 19.5838 20.9480 20.9480 21.8961 21.8961 22.6031 22.6031 23.0509 23.0509 25.4822 25.4822 26.5705 26.5705 27.0260 27.0260 27.2450 27.2450 k = 0.0690 0.5000 0.0690 ( 2224 PWs) bands (ev): -0.6496 -0.6496 -0.6293 -0.6293 0.3625 0.3625 0.3694 0.3694 0.3989 0.3989 5.9150 5.9150 10.6321 10.6321 12.6579 12.6579 12.9706 12.9706 14.1684 14.1684 14.4870 14.4870 15.0148 15.0148 15.1095 15.1095 15.2068 15.2068 16.6150 16.6150 17.0964 17.0964 17.9264 17.9264 18.4240 18.4240 18.7008 18.7008 18.8424 18.8424 19.5790 19.5790 21.0156 21.0156 21.9159 21.9159 22.5236 22.5236 23.0721 23.0721 25.5640 25.5640 26.4738 26.4738 27.0376 27.0376 27.2086 27.2086 k = 0.0603 0.5000 0.0603 ( 2224 PWs) bands (ev): -0.6500 -0.6500 -0.6292 -0.6292 0.3618 0.3618 0.3697 0.3697 0.3987 0.3987 5.8915 5.8915 10.6227 10.6227 12.6825 12.6825 12.9540 12.9540 14.2185 14.2185 14.5430 14.5430 14.9919 14.9919 15.0832 15.0832 15.1944 15.1944 16.6253 16.6253 17.0978 17.0978 17.9521 17.9521 18.4334 18.4334 18.6723 18.6723 18.8332 18.8332 19.5736 19.5736 21.0832 21.0832 21.9331 21.9331 22.4451 22.4451 23.0935 23.0935 25.6350 25.6350 26.3885 26.3885 27.0527 27.0527 27.1778 27.1778 k = 0.0517 0.5000 0.0517 ( 2224 PWs) bands (ev): -0.6503 -0.6503 -0.6292 -0.6292 0.3612 0.3612 0.3700 0.3700 0.3986 0.3986 5.8711 5.8711 10.6144 10.6144 12.7042 12.7042 12.9389 12.9389 14.2686 14.2686 14.5915 14.5915 14.9557 14.9557 15.0702 15.0702 15.1849 15.1849 16.6347 16.6347 17.0989 17.0989 17.9796 17.9796 18.4387 18.4387 18.6397 18.6397 18.8312 18.8312 19.5681 19.5681 21.1497 21.1497 21.9469 21.9469 22.3696 22.3696 23.1143 23.1143 25.6931 25.6931 26.3177 26.3177 27.0623 27.0623 27.1616 27.1616 k = 0.0431 0.5000 0.0431 ( 2224 PWs) bands (ev): -0.6505 -0.6505 -0.6291 -0.6291 0.3608 0.3608 0.3702 0.3702 0.3985 0.3985 5.8537 5.8537 10.6073 10.6073 12.7230 12.7230 12.9258 12.9258 14.3185 14.3185 14.6302 14.6302 14.9160 14.9160 15.0631 15.0631 15.1778 15.1778 16.6432 16.6432 17.0997 17.0997 18.0082 18.0082 18.4408 18.4408 18.6055 18.6055 18.8338 18.8338 19.5630 19.5630 21.2139 21.2139 21.9567 21.9567 22.2993 22.2993 23.1335 23.1335 25.7360 25.7360 26.2640 26.2640 27.0557 27.0557 27.1696 27.1696 k = 0.0345 0.5000 0.0345 ( 2224 PWs) bands (ev): -0.6508 -0.6508 -0.6290 -0.6290 0.3603 0.3603 0.3704 0.3704 0.3984 0.3984 5.8395 5.8395 10.6013 10.6013 12.7386 12.7386 12.9148 12.9148 14.3680 14.3680 14.6556 14.6556 14.8803 14.8803 15.0579 15.0579 15.1726 15.1726 16.6504 16.6504 17.1001 17.1001 18.0368 18.0368 18.4403 18.4403 18.5723 18.5723 18.8386 18.8386 19.5586 19.5586 21.2740 21.2740 21.9611 21.9611 22.2372 22.2372 23.1506 23.1506 25.7627 25.7627 26.2284 26.2284 27.0389 27.0389 27.1942 27.1942 k = 0.0259 0.5000 0.0259 ( 2224 PWs) bands (ev): -0.6509 -0.6509 -0.6290 -0.6290 0.3600 0.3600 0.3705 0.3705 0.3984 0.3984 5.8284 5.8284 10.5967 10.5967 12.7509 12.7509 12.9060 12.9060 14.4167 14.4167 14.6629 14.6629 14.8548 14.8548 15.0538 15.0538 15.1689 15.1689 16.6563 16.6563 17.1004 17.1004 18.0636 18.0636 18.4378 18.4378 18.5427 18.5427 18.8439 18.8439 19.5551 19.5551 21.3279 21.3279 21.9592 21.9592 22.1870 22.1870 23.1646 23.1646 25.7751 25.7751 26.2094 26.2094 27.0216 27.0216 27.2229 27.2229 k = 0.0172 0.5000 0.0172 ( 2240 PWs) bands (ev): -0.6511 -0.6511 -0.6290 -0.6290 0.3598 0.3598 0.3706 0.3706 0.3983 0.3983 5.8205 5.8205 10.5933 10.5933 12.7598 12.7598 12.8997 12.8997 14.4634 14.4634 14.6506 14.6506 14.8424 14.8424 15.0507 15.0507 15.1664 15.1664 16.6605 16.6605 17.1006 17.1006 18.0862 18.0862 18.4338 18.4338 18.5196 18.5196 18.8484 18.8484 19.5525 19.5525 21.3719 21.3719 21.9514 21.9514 22.1518 22.1518 23.1752 23.1752 25.7779 25.7779 26.2019 26.2019 27.0077 27.0077 27.2483 27.2483 k = 0.0086 0.5000 0.0086 ( 2240 PWs) bands (ev): -0.6511 -0.6511 -0.6289 -0.6289 0.3596 0.3596 0.3707 0.3707 0.3983 0.3983 5.8157 5.8157 10.5912 10.5912 12.7652 12.7652 12.8958 12.8958 14.5045 14.5045 14.6261 14.6261 14.8392 14.8392 15.0487 15.0487 15.1650 15.1650 16.6632 16.6632 17.1006 17.1006 18.1018 18.1018 18.4296 18.4296 18.5052 18.5052 18.8514 18.8514 19.5509 19.5509 21.4016 21.4016 21.9418 21.9418 22.1322 22.1322 23.1817 23.1817 25.7769 25.7769 26.2002 26.2002 26.9991 26.9991 27.2656 27.2656 k = 0.0000 0.5000-0.0000 ( 2240 PWs) bands (ev): -0.6512 -0.6512 -0.6289 -0.6289 0.3596 0.3596 0.3707 0.3707 0.3983 0.3983 5.8141 5.8141 10.5906 10.5906 12.7670 12.7670 12.8946 12.8946 14.5253 14.5253 14.6102 14.6102 14.8389 14.8389 15.0481 15.0481 15.1645 15.1645 16.6640 16.6640 17.1006 17.1006 18.1074 18.1074 18.4278 18.4278 18.5005 18.5005 18.8525 18.8525 19.5504 19.5504 21.4122 21.4122 21.9375 21.9375 22.1261 22.1261 23.1839 23.1839 25.7760 25.7760 26.2001 26.2001 26.9961 26.9961 27.2718 27.2718 k = 0.5000 0.5000-0.0000 ( 2216 PWs) bands (ev): -0.6341 -0.6341 -0.6338 -0.6338 0.3555 0.3555 0.3830 0.3830 0.4182 0.4182 7.4142 7.4142 10.9514 10.9514 11.0944 11.0944 12.1265 12.1265 13.4601 13.4601 14.6109 14.6109 14.6993 14.6993 15.0087 15.0087 16.4071 16.4071 16.4899 16.4899 16.8247 16.8247 17.3130 17.3130 18.3930 18.3930 18.4993 18.4993 18.9525 18.9525 19.4017 19.4017 20.1602 20.1602 21.7081 21.7081 22.1730 22.1730 23.6948 23.6948 25.5569 25.5569 26.8101 26.8101 27.7011 27.7011 27.9904 27.9904 k = 0.5000 0.5000 0.0122 ( 2216 PWs) bands (ev): -0.6341 -0.6341 -0.6338 -0.6338 0.3555 0.3555 0.3830 0.3830 0.4182 0.4182 7.4158 7.4158 10.9506 10.9506 11.0935 11.0935 12.1244 12.1244 13.4571 13.4571 14.6125 14.6125 14.7011 14.7011 15.0122 15.0122 16.4022 16.4022 16.4967 16.4967 16.8244 16.8244 17.3149 17.3149 18.3849 18.3849 18.4974 18.4974 18.9614 18.9614 19.4017 19.4017 20.1603 20.1603 21.7075 21.7075 22.1721 22.1721 23.6848 23.6848 25.5760 25.5760 26.7964 26.7964 27.6874 27.6874 27.9723 27.9723 k = 0.5000 0.5000 0.0244 ( 2212 PWs) bands (ev): -0.6342 -0.6342 -0.6339 -0.6339 0.3554 0.3554 0.3831 0.3831 0.4180 0.4180 7.4206 7.4206 10.9479 10.9479 11.0910 11.0910 12.1181 12.1181 13.4483 13.4483 14.6172 14.6172 14.7065 14.7065 15.0229 15.0229 16.3910 16.3910 16.5138 16.5138 16.8237 16.8237 17.3206 17.3206 18.3622 18.3622 18.4919 18.4919 18.9865 18.9865 19.4016 19.4016 20.1607 20.1607 21.7057 21.7057 22.1694 22.1694 23.6564 23.6564 25.6318 25.6318 26.7562 26.7562 27.6473 27.6473 27.9197 27.9197 k = 0.5000 0.5000 0.0366 ( 2204 PWs) bands (ev): -0.6343 -0.6343 -0.6340 -0.6340 0.3551 0.3551 0.3831 0.3831 0.4178 0.4178 7.4285 7.4285 10.9436 10.9436 11.0869 11.0869 12.1077 12.1077 13.4337 13.4337 14.6250 14.6250 14.7155 14.7155 15.0405 15.0405 16.3776 16.3776 16.5369 16.5369 16.8224 16.8224 17.3300 17.3300 18.3284 18.3284 18.4827 18.4827 19.0245 19.0245 19.4014 19.4014 20.1613 20.1613 21.7028 21.7028 22.1650 22.1650 23.6132 23.6132 25.7205 25.7205 26.6926 26.6926 27.5829 27.5829 27.8373 27.8373 k = 0.5000 0.5000 0.0488 ( 2204 PWs) bands (ev): -0.6344 -0.6344 -0.6342 -0.6342 0.3548 0.3548 0.3832 0.3832 0.4175 0.4175 7.4396 7.4396 10.9375 10.9375 11.0811 11.0811 12.0934 12.0934 13.4133 13.4133 14.6360 14.6360 14.7281 14.7281 15.0648 15.0648 16.3642 16.3642 16.5637 16.5637 16.8208 16.8208 17.3427 17.3427 18.2870 18.2870 18.4698 18.4698 19.0715 19.0715 19.4011 19.4011 20.1621 20.1621 21.6987 21.6987 22.1589 22.1589 23.5603 23.5603 25.8371 25.8371 26.6092 26.6092 27.4972 27.4972 27.7309 27.7309 k = 0.5000 0.5000 0.0610 ( 2212 PWs) bands (ev): -0.6346 -0.6346 -0.6344 -0.6344 0.3544 0.3544 0.3833 0.3833 0.4171 0.4171 7.4539 7.4539 10.9298 10.9298 11.0737 11.0737 12.0754 12.0754 13.3872 13.3872 14.6501 14.6501 14.7442 14.7442 15.0957 15.0957 16.3518 16.3518 16.5930 16.5930 16.8188 16.8188 17.3584 17.3584 18.2412 18.2412 18.4531 18.4531 19.1246 19.1246 19.4007 19.4007 20.1634 20.1634 21.6933 21.6933 22.1510 22.1510 23.5022 23.5022 25.9767 25.9767 26.5102 26.5102 27.3939 27.3939 27.6061 27.6061 k = 0.5000 0.5000 0.0732 ( 2220 PWs) bands (ev): -0.6349 -0.6349 -0.6347 -0.6347 0.3540 0.3540 0.3835 0.3835 0.4166 0.4166 7.4714 7.4714 10.9206 10.9206 11.0648 11.0648 12.0541 12.0541 13.3555 13.3555 14.6675 14.6675 14.7639 14.7639 15.1327 15.1327 16.3406 16.3406 16.6244 16.6244 16.8167 16.8167 17.3768 17.3768 18.1932 18.1932 18.4328 18.4328 19.1815 19.1815 19.4002 19.4002 20.1652 20.1652 21.6867 21.6867 22.1413 22.1413 23.4429 23.4429 26.1349 26.1349 26.3992 26.3992 27.2763 27.2763 27.4680 27.4680 k = 0.5000 0.5000 0.0854 ( 2216 PWs) bands (ev): -0.6352 -0.6352 -0.6350 -0.6350 0.3534 0.3534 0.3836 0.3836 0.4161 0.4161 7.4919 7.4919 10.9098 10.9098 11.0544 11.0544 12.0298 12.0298 13.3182 13.3182 14.6881 14.6881 14.7871 14.7871 15.1757 15.1757 16.3307 16.3307 16.6575 16.6575 16.8144 16.8144 17.3973 17.3973 18.1447 18.1447 18.4090 18.4090 19.2405 19.2405 19.3997 19.3997 20.1675 20.1675 21.6787 21.6787 22.1299 22.1299 23.3857 23.3857 26.2794 26.2794 26.3080 26.3080 27.1476 27.1476 27.3205 27.3205 k = 0.5000 0.5000 0.0976 ( 2216 PWs) bands (ev): -0.6355 -0.6355 -0.6354 -0.6354 0.3528 0.3528 0.3838 0.3838 0.4155 0.4155 7.5156 7.5156 10.8976 10.8976 11.0427 11.0427 12.0028 12.0028 13.2756 13.2756 14.7119 14.7119 14.8138 14.8138 15.2241 15.2241 16.3223 16.3223 16.6919 16.6919 16.8120 16.8120 17.4193 17.4193 18.0970 18.0970 18.3817 18.3817 19.3004 19.3004 19.3992 19.3992 20.1708 20.1708 21.6693 21.6693 22.1169 22.1169 23.3329 23.3329 26.1534 26.1534 26.4929 26.4929 27.0105 27.0105 27.1672 27.1672 k = 0.5000 0.5000 0.1098 ( 2224 PWs) bands (ev): -0.6359 -0.6359 -0.6358 -0.6358 0.3521 0.3521 0.3840 0.3840 0.4148 0.4148 7.5425 7.5425 10.8840 10.8840 11.0296 11.0296 11.9734 11.9734 13.2277 13.2277 14.7390 14.7390 14.8440 14.8440 15.2776 15.2776 16.3151 16.3151 16.7273 16.7273 16.8097 16.8097 17.4418 17.4418 18.0513 18.0513 18.3511 18.3511 19.3602 19.3602 19.3985 19.3985 20.1751 20.1751 21.6585 21.6585 22.1022 22.1022 23.2860 23.2860 26.0232 26.0232 26.6847 26.6847 26.8674 26.8674 27.0128 27.0128 k = 0.5000 0.5000 0.1220 ( 2224 PWs) bands (ev): -0.6363 -0.6363 -0.6362 -0.6362 0.3513 0.3513 0.3842 0.3842 0.4141 0.4141 7.5724 7.5724 10.8693 10.8693 11.0154 11.0154 11.9421 11.9421 13.1747 13.1747 14.7693 14.7693 14.8775 14.8775 15.3358 15.3358 16.3092 16.3092 16.7633 16.7633 16.8073 16.8073 17.4640 17.4640 18.0088 18.0088 18.3176 18.3176 19.3979 19.3979 19.4187 19.4187 20.1808 20.1808 21.6462 21.6462 22.0861 22.0861 23.2462 23.2462 25.8905 25.8905 26.7201 26.7201 26.8100 26.8100 26.9309 26.9309 k = 0.5000 0.5000 0.1341 ( 2232 PWs) bands (ev): -0.6368 -0.6368 -0.6367 -0.6367 0.3504 0.3504 0.3845 0.3845 0.4133 0.4133 7.6054 7.6054 10.8534 10.8534 11.0000 11.0000 11.9092 11.9092 13.1167 13.1167 14.8029 14.8029 14.9145 14.9145 15.3983 15.3983 16.3045 16.3045 16.7995 16.7995 16.8049 16.8049 17.4845 17.4845 17.9710 17.9710 18.2815 18.2815 19.3971 19.3971 19.4752 19.4752 20.1884 20.1884 21.6322 21.6322 22.0684 22.0684 23.2141 23.2141 25.7564 25.7564 26.5703 26.5703 26.6733 26.6733 27.1170 27.1170 k = 0.5000 0.5000 0.1463 ( 2232 PWs) bands (ev): -0.6372 -0.6372 -0.6372 -0.6372 0.3495 0.3495 0.3848 0.3848 0.4124 0.4124 7.6414 7.6414 10.8365 10.8365 10.9837 10.9837 11.8750 11.8750 13.0541 13.0541 14.8397 14.8397 14.9549 14.9549 15.4647 15.4647 16.3010 16.3010 16.8024 16.8024 16.8354 16.8354 17.5016 17.5016 17.9394 17.9394 18.2433 18.2433 19.3963 19.3963 19.5286 19.5286 20.1984 20.1984 21.6166 21.6166 22.0493 22.0493 23.1900 23.1900 25.6221 25.6221 26.4194 26.4194 26.5142 26.5142 27.3315 27.3315 k = 0.5000 0.5000 0.1585 ( 2216 PWs) bands (ev): -0.6378 -0.6378 -0.6377 -0.6377 0.3485 0.3485 0.3851 0.3851 0.4116 0.4116 7.6806 7.6806 10.8188 10.8188 10.9665 10.9665 11.8399 11.8399 12.9869 12.9869 14.8798 14.8798 14.9985 14.9985 15.5346 15.5346 16.2984 16.2984 16.8000 16.8000 16.8706 16.8706 17.5135 17.5135 17.9158 17.9158 18.2036 18.2036 19.3955 19.3955 19.5780 19.5780 20.2114 20.2114 21.5992 21.5992 22.0287 22.0287 23.1740 23.1740 25.4885 25.4885 26.2685 26.2685 26.3546 26.3546 27.5524 27.5524 k = 0.5000 0.5000 0.1707 ( 2216 PWs) bands (ev): -0.6383 -0.6383 -0.6383 -0.6383 0.3474 0.3474 0.3854 0.3854 0.4107 0.4107 7.7226 7.7226 10.8003 10.8003 10.9485 10.9485 11.8041 11.8041 12.9153 12.9153 14.9230 14.9230 15.0454 15.0454 15.6076 15.6076 16.2968 16.2968 16.7975 16.7975 16.9046 16.9046 17.5184 17.5184 17.9018 17.9018 18.1629 18.1629 19.3945 19.3945 19.6222 19.6222 20.2280 20.2280 21.5801 21.5801 22.0068 22.0068 23.1661 23.1661 25.3561 25.3561 26.1187 26.1187 26.1966 26.1966 27.7772 27.7772 k = 0.5000 0.5000 0.1829 ( 2220 PWs) bands (ev): -0.6389 -0.6389 -0.6389 -0.6389 0.3463 0.3463 0.3857 0.3857 0.4098 0.4098 7.7677 7.7677 10.7811 10.7811 10.9299 10.9299 11.7678 11.7678 12.8396 12.8396 14.9693 14.9693 15.0954 15.0954 15.6834 15.6834 16.2960 16.2960 16.7948 16.7948 16.9366 16.9366 17.5156 17.5156 17.8981 17.8981 18.1221 18.1221 19.3935 19.3935 19.6605 19.6605 20.2488 20.2488 21.5591 21.5591 21.9833 21.9833 23.1659 23.1659 25.2257 25.2257 25.9708 25.9708 26.0415 26.0415 28.0046 28.0046 k = 0.5000 0.5000 0.1951 ( 2236 PWs) bands (ev): -0.6396 -0.6396 -0.6395 -0.6395 0.3451 0.3451 0.3860 0.3860 0.4088 0.4088 7.8157 7.8157 10.7614 10.7614 10.9107 10.9107 11.7314 11.7314 12.7599 12.7599 15.0187 15.0187 15.1485 15.1485 15.7614 15.7614 16.2959 16.2959 16.7920 16.7920 16.9661 16.9661 17.5054 17.5054 17.9038 17.9038 18.0819 18.0819 19.3924 19.3924 19.6922 19.6922 20.2741 20.2741 21.5362 21.5362 21.9582 21.9582 23.1733 23.1733 25.0976 25.0976 25.8258 25.8258 25.8899 25.8899 28.2335 28.2335 k = 0.5000 0.5000 0.2073 ( 2236 PWs) bands (ev): -0.6402 -0.6402 -0.6401 -0.6401 0.3439 0.3439 0.3864 0.3864 0.4079 0.4079 7.8666 7.8666 10.7414 10.7414 10.8911 10.8911 11.6951 11.6951 12.6766 12.6766 15.0710 15.0710 15.2045 15.2045 15.8416 15.8416 16.2965 16.2965 16.7890 16.7890 16.9924 16.9924 17.4896 17.4896 17.9170 17.9170 18.0431 18.0431 19.3912 19.3912 19.7169 19.7169 20.3038 20.3038 21.5114 21.5114 21.9315 21.9315 23.1877 23.1877 24.9723 24.9723 25.6843 25.6843 25.7427 25.7427 28.4628 28.4628 k = 0.5000 0.5000 0.2195 ( 2252 PWs) bands (ev): -0.6409 -0.6409 -0.6407 -0.6407 0.3426 0.3426 0.3868 0.3868 0.4069 0.4069 7.9203 7.9203 10.7211 10.7211 10.8713 10.8713 11.6591 11.6591 12.5898 12.5898 15.1261 15.1261 15.2633 15.2633 15.9233 15.9233 16.2977 16.2977 16.7860 16.7860 17.0148 17.0148 17.4703 17.4703 17.9354 17.9354 18.0066 18.0066 19.3899 19.3899 19.7345 19.7345 20.3376 20.3376 21.4849 21.4849 21.9029 21.9029 23.2088 23.2088 24.8502 24.8502 25.5471 25.5471 25.6004 25.6004 28.6914 28.6914 k = 0.5000 0.5000 0.2317 ( 2252 PWs) bands (ev): -0.6415 -0.6415 -0.6413 -0.6413 0.3413 0.3413 0.3872 0.3872 0.4060 0.4060 7.9768 7.9768 10.7006 10.7006 10.8512 10.8512 11.6236 11.6236 12.4999 12.4999 15.1840 15.1840 15.3248 15.3248 16.0063 16.0063 16.2993 16.2993 16.7829 16.7829 17.0328 17.0328 17.4491 17.4491 17.9568 17.9568 17.9731 17.9731 19.3885 19.3885 19.7456 19.7456 20.3748 20.3748 21.4566 21.4566 21.8725 21.8725 23.2361 23.2361 24.7316 24.7316 25.4147 25.4147 25.4635 25.4635 28.9179 28.9179 k = 0.5000 0.5000 0.2439 ( 2268 PWs) bands (ev): -0.6422 -0.6422 -0.6420 -0.6420 0.3400 0.3400 0.3876 0.3876 0.4050 0.4050 8.0360 8.0360 10.6802 10.6802 10.8311 10.8311 11.5887 11.5887 12.4069 12.4069 15.2444 15.2444 15.3888 15.3888 16.0901 16.0901 16.3013 16.3013 16.7799 16.7799 17.0458 17.0458 17.4276 17.4276 17.9431 17.9431 17.9795 17.9795 19.3869 19.3869 19.7506 19.7506 20.4144 20.4144 21.4269 21.4269 21.8402 21.8402 23.2689 23.2689 24.6167 24.6167 25.2877 25.2877 25.3326 25.3326 29.1410 29.1410 k = 0.5000 0.5000 0.2561 ( 2268 PWs) bands (ev): -0.6429 -0.6429 -0.6427 -0.6427 0.3387 0.3387 0.3880 0.3880 0.4041 0.4041 8.0980 8.0980 10.6599 10.6599 10.8111 10.8111 11.5546 11.5546 12.3113 12.3113 15.3072 15.3072 15.4550 15.4550 16.1741 16.1741 16.3036 16.3036 16.7773 16.7773 17.0536 17.0536 17.4066 17.4066 17.9171 17.9171 18.0020 18.0020 19.3852 19.3852 19.7501 19.7501 20.4554 20.4554 21.3959 21.3959 21.8061 21.8061 23.3068 23.3068 24.5058 24.5058 25.1666 25.1666 25.2080 25.2080 29.3591 29.3591 k = 0.5000 0.5000 0.2683 ( 2260 PWs) bands (ev): -0.6435 -0.6435 -0.6433 -0.6433 0.3373 0.3373 0.3884 0.3884 0.4032 0.4032 8.1625 8.1625 10.6398 10.6398 10.7912 10.7912 11.5216 11.5216 12.2133 12.2133 15.3721 15.3721 15.5232 15.5232 16.2579 16.2579 16.3061 16.3061 16.7757 16.7757 17.0563 17.0563 17.3867 17.3867 17.8951 17.8951 18.0233 18.0233 19.3833 19.3833 19.7449 19.7449 20.4967 20.4967 21.3640 21.3640 21.7701 21.7701 23.3490 23.3490 24.3990 24.3990 25.0519 25.0519 25.0901 25.0901 29.5700 29.5700 k = 0.5000 0.5000 0.2805 ( 2268 PWs) bands (ev): -0.6442 -0.6442 -0.6440 -0.6440 0.3360 0.3360 0.3888 0.3888 0.4023 0.4023 8.2295 8.2295 10.6201 10.6201 10.7716 10.7716 11.4895 11.4895 12.1132 12.1132 15.4388 15.4388 15.5930 15.5930 16.3087 16.3087 16.3404 16.3404 16.7757 16.7757 17.0542 17.0542 17.3684 17.3684 17.8767 17.8767 18.0423 18.0423 19.3813 19.3813 19.7355 19.7355 20.5372 20.5372 21.3318 21.3318 21.7324 21.7324 23.3951 23.3951 24.2966 24.2966 24.9439 24.9439 24.9791 24.9791 29.7715 29.7715 k = 0.5000 0.5000 0.2927 ( 2264 PWs) bands (ev): -0.6449 -0.6449 -0.6447 -0.6447 0.3346 0.3346 0.3893 0.3893 0.4015 0.4015 8.2990 8.2990 10.6008 10.6008 10.7523 10.7523 11.4587 11.4587 12.0113 12.0113 15.5072 15.5072 15.6641 15.6641 16.3114 16.3114 16.4205 16.4205 16.7786 16.7786 17.0480 17.0480 17.3519 17.3519 17.8613 17.8613 18.0583 18.0583 19.3791 19.3791 19.7223 19.7223 20.5759 20.5759 21.2999 21.2999 21.6934 21.6934 23.4443 23.4443 24.1987 24.1987 24.8429 24.8429 24.8752 24.8752 29.9608 29.9608 k = 0.5000 0.5000 0.3049 ( 2252 PWs) bands (ev): -0.6455 -0.6455 -0.6453 -0.6453 0.3333 0.3333 0.3897 0.3897 0.4006 0.4006 8.3708 8.3708 10.5821 10.5821 10.7335 10.7335 11.4292 11.4292 11.9079 11.9079 15.5767 15.5767 15.7360 15.7360 16.3141 16.3141 16.4960 16.4960 16.7867 16.7867 17.0386 17.0386 17.3373 17.3373 17.8481 17.8481 18.0706 18.0706 19.3769 19.3769 19.7058 19.7058 20.6119 20.6119 21.2691 21.2691 21.6532 21.6532 23.4960 23.4960 24.1054 24.1054 24.7492 24.7492 24.7786 24.7786 30.1344 30.1344 k = 0.5000 0.5000 0.3171 ( 2268 PWs) bands (ev): -0.6461 -0.6461 -0.6459 -0.6459 0.3320 0.3320 0.3901 0.3901 0.3999 0.3999 8.4448 8.4448 10.5641 10.5641 10.7151 10.7151 11.4011 11.4011 11.8034 11.8034 15.6470 15.6470 15.8079 15.8079 16.3166 16.3166 16.5634 16.5634 16.8036 16.8036 17.0271 17.0271 17.3245 17.3245 17.8359 17.8359 18.0786 18.0786 19.3744 19.3744 19.6863 19.6863 20.6441 20.6441 21.2404 21.2404 21.6122 21.6122 23.5495 23.5495 24.0170 24.0170 24.6628 24.6628 24.6892 24.6892 30.2884 30.2884 k = 0.5000 0.5000 0.3293 ( 2268 PWs) bands (ev): -0.6467 -0.6467 -0.6466 -0.6466 0.3307 0.3307 0.3905 0.3905 0.3991 0.3991 8.5207 8.5207 10.5467 10.5467 10.6972 10.6972 11.3744 11.3744 11.6981 11.6981 15.7176 15.7176 15.8791 15.8791 16.3190 16.3190 16.6183 16.6183 16.8341 16.8341 17.0148 17.0148 17.3135 17.3135 17.8237 17.8237 18.0818 18.0818 19.3720 19.3720 19.6642 19.6642 20.6715 20.6715 21.2148 21.2148 21.5709 21.5709 23.6041 23.6041 23.9335 23.9335 24.5837 24.5837 24.6071 24.6071 30.4193 30.4193 k = 0.5000 0.5000 0.3415 ( 2268 PWs) bands (ev): -0.6473 -0.6473 -0.6472 -0.6472 0.3295 0.3295 0.3909 0.3909 0.3984 0.3984 8.5985 8.5985 10.5302 10.5302 10.6799 10.6799 11.3493 11.3493 11.5925 11.5925 15.7879 15.7879 15.9486 15.9486 16.3212 16.3212 16.6589 16.6589 16.8805 16.8805 17.0030 17.0030 17.3043 17.3043 17.8104 17.8104 18.0797 18.0797 19.3694 19.3694 19.6397 19.6397 20.6931 20.6931 21.1936 21.1936 21.5298 21.5298 23.6591 23.6591 23.8551 23.8551 24.5118 24.5118 24.5321 24.5321 30.5238 30.5238 k = 0.5000 0.5000 0.3537 ( 2260 PWs) bands (ev): -0.6479 -0.6479 -0.6477 -0.6477 0.3284 0.3284 0.3913 0.3913 0.3977 0.3977 8.6779 8.6779 10.5147 10.5147 10.6632 10.6632 11.3259 11.3259 11.4870 11.4870 15.8572 15.8572 16.0151 16.0151 16.3231 16.3231 16.6894 16.6894 16.9392 16.9392 16.9928 16.9928 17.2967 17.2967 17.7951 17.7951 18.0721 18.0721 19.3669 19.3669 19.6134 19.6134 20.7082 20.7082 21.1777 21.1777 21.4894 21.4894 23.7138 23.7138 23.7819 23.7819 24.4470 24.4470 24.4641 24.4641 30.6006 30.6006 k = 0.5000 0.5000 0.3659 ( 2260 PWs) bands (ev): -0.6484 -0.6484 -0.6483 -0.6483 0.3272 0.3272 0.3916 0.3916 0.3971 0.3971 8.7586 8.7586 10.5001 10.5001 10.6470 10.6470 11.3041 11.3041 11.3823 11.3823 15.9246 15.9246 16.0771 16.0771 16.3246 16.3246 16.7165 16.7165 16.9855 16.9855 17.0040 17.0040 17.2906 17.2906 17.7769 17.7769 18.0588 18.0588 19.3643 19.3643 19.5855 19.5855 20.7165 20.7165 21.1676 21.1676 21.4501 21.4501 23.7142 23.7142 23.7675 23.7675 24.3891 24.3891 24.4029 24.4029 30.6507 30.6507 k = 0.5000 0.5000 0.3780 ( 2260 PWs) bands (ev): -0.6489 -0.6489 -0.6488 -0.6488 0.3262 0.3262 0.3920 0.3920 0.3965 0.3965 8.8403 8.8403 10.4865 10.4865 10.6311 10.6311 11.2789 11.2789 11.2840 11.2840 15.9893 15.9893 16.1332 16.1332 16.3258 16.3258 16.7458 16.7458 16.9822 16.9822 17.0702 17.0702 17.2861 17.2861 17.7552 17.7552 18.0398 18.0398 19.3618 19.3618 19.5564 19.5564 20.7184 20.7184 21.1632 21.1632 21.4126 21.4126 23.6520 23.6520 23.8196 23.8196 24.3377 24.3377 24.3482 24.3482 30.6771 30.6771 k = 0.5000 0.5000 0.3902 ( 2260 PWs) bands (ev): -0.6494 -0.6494 -0.6493 -0.6493 0.3252 0.3252 0.3923 0.3923 0.3960 0.3960 8.9225 8.9225 10.4740 10.4740 10.6154 10.6154 11.1779 11.1779 11.2657 11.2657 16.0501 16.0501 16.1818 16.1818 16.3267 16.3267 16.7805 16.7805 16.9841 16.9841 17.1343 17.1343 17.2834 17.2834 17.7296 17.7296 18.0151 18.0151 19.3595 19.3595 19.5268 19.5268 20.7149 20.7149 21.1638 21.1638 21.3773 21.3773 23.5955 23.5955 23.8692 23.8692 24.2926 24.2926 24.2998 24.2998 30.6846 30.6846 k = 0.5000 0.5000 0.4024 ( 2268 PWs) bands (ev): -0.6498 -0.6498 -0.6497 -0.6497 0.3243 0.3243 0.3926 0.3926 0.3956 0.3956 9.0046 9.0046 10.4627 10.4627 10.5994 10.5994 11.0803 11.0803 11.2492 11.2492 16.1061 16.1061 16.2221 16.2221 16.3272 16.3272 16.8223 16.8223 16.9922 16.9922 17.1928 17.1928 17.2839 17.2839 17.6998 17.6998 17.9853 17.9853 19.3573 19.3573 19.4971 19.4971 20.7076 20.7076 21.1682 21.1682 21.3446 21.3446 23.5447 23.5447 23.9158 23.9158 24.2534 24.2534 24.2574 24.2574 30.6783 30.6783 k = 0.5000 0.5000 0.4146 ( 2260 PWs) bands (ev): -0.6501 -0.6501 -0.6501 -0.6501 0.3235 0.3235 0.3928 0.3928 0.3951 0.3951 9.0857 9.0857 10.4527 10.4527 10.5825 10.5825 10.9879 10.9879 11.2346 11.2346 16.1561 16.1561 16.2540 16.2540 16.3274 16.3274 16.8715 16.8715 17.0071 17.0071 17.2374 17.2374 17.2939 17.2939 17.6657 17.6657 17.9511 17.9511 19.3553 19.3553 19.4680 19.4680 20.6979 20.6979 21.1750 21.1750 21.3150 21.3150 23.4999 23.4999 23.9587 23.9587 24.2197 24.2197 24.2207 24.2207 30.6631 30.6631 k = 0.5000 0.5000 0.4268 ( 2256 PWs) bands (ev): -0.6505 -0.6505 -0.6504 -0.6504 0.3228 0.3228 0.3931 0.3931 0.3948 0.3948 9.1649 9.1649 10.4438 10.4438 10.5635 10.5635 10.9031 10.9031 11.2219 11.2219 16.1994 16.1994 16.2783 16.2783 16.3274 16.3274 16.9272 16.9272 17.0293 17.0293 17.2558 17.2558 17.3238 17.3238 17.6276 17.6276 17.9135 17.9135 19.3535 19.3535 19.4404 19.4404 20.6873 20.6873 21.1829 21.1829 21.2888 21.2888 23.4609 23.4609 23.9972 23.9972 24.1896 24.1896 24.1913 24.1913 30.6430 30.6430 k = 0.5000 0.5000 0.4390 ( 2272 PWs) bands (ev): -0.6507 -0.6507 -0.6507 -0.6507 0.3222 0.3222 0.3933 0.3933 0.3945 0.3945 9.2404 9.2404 10.4363 10.4363 10.5408 10.5408 10.8291 10.8291 11.2111 11.2111 16.2355 16.2355 16.2960 16.2960 16.3271 16.3271 16.9874 16.9874 17.0585 17.0585 17.2600 17.2600 17.3596 17.3596 17.5857 17.5857 17.8744 17.8744 19.3520 19.3520 19.4149 19.4149 20.6769 20.6769 21.1911 21.1911 21.2662 21.2662 23.4279 23.4279 24.0309 24.0309 24.1637 24.1637 24.1679 24.1679 30.6213 30.6213 k = 0.5000 0.5000 0.4512 ( 2272 PWs) bands (ev): -0.6510 -0.6510 -0.6509 -0.6509 0.3217 0.3217 0.3935 0.3935 0.3942 0.3942 9.3103 9.3103 10.4301 10.4301 10.5131 10.5131 10.7694 10.7694 11.2022 11.2022 16.2642 16.2642 16.3085 16.3085 16.3268 16.3268 17.0498 17.0498 17.0940 17.0940 17.2610 17.2610 17.3880 17.3880 17.5410 17.5410 17.8361 17.8361 19.3507 19.3507 19.3924 19.3924 20.6674 20.6674 21.1986 21.1986 21.2474 21.2474 23.4009 23.4009 24.0590 24.0590 24.1430 24.1430 24.1490 24.1490 30.6006 30.6006 k = 0.5000 0.5000 0.4634 ( 2272 PWs) bands (ev): -0.6511 -0.6511 -0.6511 -0.6511 0.3213 0.3213 0.3936 0.3936 0.3940 0.3940 9.3714 9.3714 10.4252 10.4252 10.4814 10.4814 10.7264 10.7264 11.1953 11.1953 16.2857 16.2857 16.3170 16.3170 16.3265 16.3265 17.1112 17.1112 17.1339 17.1339 17.2613 17.2613 17.4044 17.4044 17.4948 17.4948 17.8021 17.8021 19.3497 19.3497 19.3739 19.3739 20.6596 20.6596 21.2049 21.2049 21.2327 21.2327 23.3799 23.3799 24.0810 24.0810 24.1274 24.1274 24.1347 24.1347 30.5826 30.5826 k = 0.5000 0.5000 0.4756 ( 2272 PWs) bands (ev): -0.6513 -0.6513 -0.6513 -0.6513 0.3211 0.3211 0.3937 0.3937 0.3939 0.3939 9.4200 9.4200 10.4218 10.4218 10.4503 10.4503 10.6990 10.6990 11.1903 11.1903 16.3005 16.3005 16.3225 16.3225 16.3264 16.3264 17.1673 17.1673 17.1752 17.1752 17.2614 17.2614 17.4072 17.4072 17.4496 17.4496 17.7757 17.7757 19.3490 19.3490 19.3600 19.3600 20.6537 20.6537 21.2097 21.2097 21.2222 21.2222 23.3649 23.3649 24.0959 24.0959 24.1175 24.1175 24.1245 24.1245 30.5689 30.5689 k = 0.5000 0.5000 0.4878 ( 2272 PWs) bands (ev): -0.6514 -0.6514 -0.6514 -0.6514 0.3209 0.3209 0.3937 0.3937 0.3938 0.3938 9.4517 9.4517 10.4197 10.4197 10.4274 10.4274 10.6843 10.6843 11.1873 11.1873 16.3090 16.3090 16.3255 16.3255 16.3264 16.3264 17.2103 17.2103 17.2112 17.2112 17.2619 17.2619 17.4002 17.4002 17.4115 17.4115 17.7594 17.7594 19.3486 19.3486 19.3514 19.3514 20.6501 20.6501 21.2126 21.2126 21.2158 21.2158 23.3559 23.3559 24.1011 24.1011 24.1154 24.1154 24.1185 24.1185 30.5603 30.5603 k = 0.5000 0.5000 0.5000 ( 2272 PWs) bands (ev): -0.6514 -0.6514 -0.6514 -0.6514 0.3208 0.3208 0.3938 0.3938 0.3938 0.3938 9.4628 9.4628 10.4190 10.4190 10.4190 10.4190 10.6797 10.6797 11.1863 11.1863 16.3117 16.3117 16.3265 16.3265 16.3265 16.3265 17.2273 17.2273 17.2273 17.2273 17.2625 17.2625 17.3947 17.3947 17.3947 17.3947 17.7540 17.7540 19.3484 19.3484 19.3484 19.3484 20.6489 20.6489 21.2136 21.2136 21.2136 21.2136 23.3529 23.3529 24.1011 24.1011 24.1165 24.1165 24.1165 24.1165 30.5574 30.5574 Writing output data file SnPt3C.save init_run : 0.29s CPU 0.48s WALL ( 1 calls) electrons : 151.04s CPU 154.52s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 151.03s CPU 154.51s 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 : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 315 calls) cegterg : 141.62s CPU 143.94s WALL ( 529 calls) Called by sum_band: Called by *egterg: h_psi : 61.61s CPU 63.16s WALL ( 8859 calls) s_psi : 6.17s CPU 6.35s WALL ( 8859 calls) g_psi : 0.16s CPU 0.18s WALL ( 8015 calls) cdiaghg : 67.16s CPU 67.84s WALL ( 8330 calls) cegterg:over : 5.50s CPU 5.59s WALL ( 8015 calls) cegterg:upda : 3.80s CPU 3.67s WALL ( 8015 calls) cegterg:last : 2.58s CPU 2.62s WALL ( 1474 calls) cdiaghg:chol : 3.62s CPU 3.68s WALL ( 8330 calls) cdiaghg:inve : 2.70s CPU 2.65s WALL ( 8330 calls) cdiaghg:para : 4.27s CPU 4.17s WALL ( 16660 calls) Called by h_psi: h_psi:vloc : 48.06s CPU 49.44s WALL ( 8859 calls) h_psi:vnl : 13.38s CPU 13.55s WALL ( 8859 calls) add_vuspsi : 7.52s CPU 7.50s WALL ( 8859 calls) General routines calbec : 5.84s CPU 6.03s WALL ( 8859 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 43.95s CPU 45.31s WALL ( 1064488 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.13s WALL ( 630 calls) Parallel routines fft_scatter : 22.20s CPU 22.63s WALL ( 1064511 calls) PWSCF : 2m44.90s CPU 3m 0.62s WALL This run was terminated on: 17:24:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=