Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 4:38 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: ./Pt3Pb.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 56 24 7 1902 532 91 Max 57 25 9 1907 553 94 Sum 2025 877 277 68507 19597 3287 bravais-lattice index = 14 lattice parameter (alat) = 7.6685 a.u. unit-cell volume = 450.9544 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.668508 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 Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 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 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) Pt 10.00 195.08400 Pt( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0033223 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0033223 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0033223 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0033223 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0033223 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0033223 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0033223 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0033223 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0033223 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0033223 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0033223 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0033223 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0033223 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0033223 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0033223 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0033223 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0033223 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0033223 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0033223 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0033223 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0033223 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0033223 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0033223 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0033223 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0033223 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0033223 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0033223 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0033223 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0033223 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0033223 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0033223 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0033223 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0033223 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0033223 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0033223 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0033223 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0033223 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0033223 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0033223 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0033223 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0033223 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0033223 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0033223 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0033223 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0033223 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0033223 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0033223 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0033223 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0033223 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0033223 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0033223 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0033223 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0033223 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0033223 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0033223 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0033223 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033223 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0033223 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0033223 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0033223 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0033223 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0033223 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0033223 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0033223 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0033223 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0033223 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0033223 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0033223 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0033223 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0033223 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0033223 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0033223 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0033223 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0033223 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0033223 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0033223 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0033223 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0033223 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0033223 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0033223 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0033223 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0033223 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0033223 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0033223 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0033223 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0033223 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0033223 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0033223 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0033223 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0033223 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0033223 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0033223 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0033223 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0033223 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0033223 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0033223 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0033223 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0033223 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0033223 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0033223 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0033223 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033223 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0033223 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0033223 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0033223 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0033223 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0033223 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0033223 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0033223 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0033223 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0033223 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0033223 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033223 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0033223 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0033223 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0033223 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0033223 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0033223 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0033223 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0033223 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0033223 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0033223 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 138) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0033223 k( 139) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0033223 k( 140) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0033223 k( 141) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0033223 k( 142) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0033223 k( 143) = ( 0.0441177 0.0441176 0.0441176), wk = 0.0033223 k( 144) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0033223 k( 145) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0033223 k( 146) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0033223 k( 147) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0033223 k( 148) = ( 0.0808824 0.0808823 0.0808823), wk = 0.0033223 k( 149) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0033223 k( 150) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0033223 k( 151) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0033223 k( 152) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0033223 k( 153) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0033223 k( 154) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0033223 k( 155) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0033223 k( 156) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0033223 k( 157) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0033223 k( 158) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0033223 k( 159) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0033223 k( 160) = ( 0.1691177 0.1691176 0.1691176), wk = 0.0033223 k( 161) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0033223 k( 162) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0033223 k( 163) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0033223 k( 164) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0033223 k( 165) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0033223 k( 166) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0033223 k( 167) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0033223 k( 168) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0033223 k( 169) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0033223 k( 170) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0033223 k( 171) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033223 k( 172) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0033223 k( 173) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0033223 k( 174) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0033223 k( 175) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0033223 k( 176) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0033223 k( 177) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0033223 k( 178) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0033223 k( 179) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0033223 k( 180) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0033223 k( 181) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0033223 k( 182) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0033223 k( 183) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0033223 k( 184) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0033223 k( 185) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0033223 k( 186) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0033223 k( 187) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0033223 k( 188) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0033223 k( 189) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0033223 k( 190) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0033223 k( 191) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0033223 k( 192) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0033223 k( 193) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0033223 k( 194) = ( 0.4191177 0.4191176 0.4191176), wk = 0.0033223 k( 195) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0033223 k( 196) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0033223 k( 197) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0033223 k( 198) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0033223 k( 199) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0033223 k( 200) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0033223 k( 201) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0033223 k( 202) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0033223 k( 203) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0033223 k( 204) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0033223 k( 205) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 207) = ( 0.4909091 0.5000000 0.4909091), wk = 0.0033223 k( 208) = ( 0.4818182 0.5000000 0.4818182), wk = 0.0033223 k( 209) = ( 0.4727273 0.5000000 0.4727273), wk = 0.0033223 k( 210) = ( 0.4636364 0.5000000 0.4636364), wk = 0.0033223 k( 211) = ( 0.4545455 0.5000000 0.4545454), wk = 0.0033223 k( 212) = ( 0.4454546 0.5000000 0.4454545), wk = 0.0033223 k( 213) = ( 0.4363636 0.5000000 0.4363636), wk = 0.0033223 k( 214) = ( 0.4272727 0.5000000 0.4272727), wk = 0.0033223 k( 215) = ( 0.4181818 0.5000000 0.4181818), wk = 0.0033223 k( 216) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0033223 k( 217) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0033223 k( 218) = ( 0.3909091 0.5000000 0.3909091), wk = 0.0033223 k( 219) = ( 0.3818182 0.5000000 0.3818182), wk = 0.0033223 k( 220) = ( 0.3727273 0.5000000 0.3727273), wk = 0.0033223 k( 221) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0033223 k( 222) = ( 0.3545454 0.5000000 0.3545454), wk = 0.0033223 k( 223) = ( 0.3454546 0.5000000 0.3454545), wk = 0.0033223 k( 224) = ( 0.3363636 0.5000000 0.3363636), wk = 0.0033223 k( 225) = ( 0.3272727 0.5000000 0.3272727), wk = 0.0033223 k( 226) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0033223 k( 227) = ( 0.3090909 0.5000000 0.3090909), wk = 0.0033223 k( 228) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0033223 k( 229) = ( 0.2909091 0.5000000 0.2909091), wk = 0.0033223 k( 230) = ( 0.2818182 0.5000000 0.2818182), wk = 0.0033223 k( 231) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0033223 k( 232) = ( 0.2636364 0.5000000 0.2636364), wk = 0.0033223 k( 233) = ( 0.2545455 0.5000000 0.2545454), wk = 0.0033223 k( 234) = ( 0.2454545 0.5000000 0.2454545), wk = 0.0033223 k( 235) = ( 0.2363636 0.5000000 0.2363636), wk = 0.0033223 k( 236) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0033223 k( 237) = ( 0.2181818 0.5000000 0.2181818), wk = 0.0033223 k( 238) = ( 0.2090909 0.5000000 0.2090909), wk = 0.0033223 k( 239) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0033223 k( 240) = ( 0.1909091 0.5000000 0.1909091), wk = 0.0033223 k( 241) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0033223 k( 242) = ( 0.1727273 0.5000000 0.1727273), wk = 0.0033223 k( 243) = ( 0.1636364 0.5000000 0.1636364), wk = 0.0033223 k( 244) = ( 0.1545455 0.5000000 0.1545454), wk = 0.0033223 k( 245) = ( 0.1454545 0.5000000 0.1454545), wk = 0.0033223 k( 246) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0033223 k( 247) = ( 0.1272727 0.5000000 0.1272727), wk = 0.0033223 k( 248) = ( 0.1181818 0.5000000 0.1181818), wk = 0.0033223 k( 249) = ( 0.1090909 0.5000000 0.1090909), wk = 0.0033223 k( 250) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0033223 k( 251) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0033223 k( 252) = ( 0.0818182 0.5000000 0.0818182), wk = 0.0033223 k( 253) = ( 0.0727273 0.5000000 0.0727273), wk = 0.0033223 k( 254) = ( 0.0636364 0.5000000 0.0636364), wk = 0.0033223 k( 255) = ( 0.0545455 0.5000000 0.0545454), wk = 0.0033223 k( 256) = ( 0.0454546 0.5000000 0.0454545), wk = 0.0033223 k( 257) = ( 0.0363636 0.5000000 0.0363636), wk = 0.0033223 k( 258) = ( 0.0272727 0.5000000 0.0272727), wk = 0.0033223 k( 259) = ( 0.0181818 0.5000000 0.0181818), wk = 0.0033223 k( 260) = ( 0.0090909 0.5000000 0.0090909), wk = 0.0033223 k( 261) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 262) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 263) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0033223 k( 264) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0033223 k( 265) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033223 k( 266) = ( 0.5000000 0.5000000 0.0512820), wk = 0.0033223 k( 267) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0033223 k( 268) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033223 k( 269) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0033223 k( 270) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0033223 k( 271) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033223 k( 272) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0033223 k( 273) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0033223 k( 274) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033223 k( 275) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033223 k( 276) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0033223 k( 277) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033223 k( 278) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0033223 k( 279) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0033223 k( 280) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033223 k( 281) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0033223 k( 282) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0033223 k( 283) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033223 k( 284) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0033223 k( 285) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0033223 k( 286) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033223 k( 287) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0033223 k( 288) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033223 k( 289) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033223 k( 290) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0033223 k( 291) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0033223 k( 292) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033223 k( 293) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0033223 k( 294) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0033223 k( 295) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033223 k( 296) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0033223 k( 297) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0033223 k( 298) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033223 k( 299) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0033223 k( 300) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0033223 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0033223 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0033223 k( 4) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0033223 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0033223 k( 6) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0033223 k( 7) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0033223 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0033223 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0033223 k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0033223 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0033223 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0033223 k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0033223 k( 14) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0033223 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0033223 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0033223 k( 17) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0033223 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0033223 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0033223 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0033223 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0033223 k( 22) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0033223 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0033223 k( 24) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0033223 k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0033223 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0033223 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0033223 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0033223 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0033223 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0033223 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0033223 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0033223 k( 33) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0033223 k( 34) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0033223 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0033223 k( 36) = ( 0.0000000 0.4487179 0.0000000), wk = 0.0033223 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0033223 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0033223 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0033223 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033223 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033223 k( 42) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0033223 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0033223 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0033223 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0033223 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0033223 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0033223 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0033223 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0033223 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0033223 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0033223 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0033223 k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0033223 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0033223 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0033223 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0033223 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0033223 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0033223 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0033223 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0033223 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0033223 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0033223 k( 63) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0033223 k( 64) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0033223 k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0033223 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0033223 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033223 k( 68) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0033223 k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0033223 k( 70) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0033223 k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0033223 k( 72) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0033223 k( 73) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0033223 k( 74) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0033223 k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0033223 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0033223 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0033223 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0033223 k( 79) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0033223 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033223 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033223 k( 82) = ( 0.4909091 0.4909091 0.0000000), wk = 0.0033223 k( 83) = ( 0.4818182 0.4818182 0.0000000), wk = 0.0033223 k( 84) = ( 0.4727273 0.4727273 0.0000000), wk = 0.0033223 k( 85) = ( 0.4636364 0.4636364 0.0000000), wk = 0.0033223 k( 86) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0033223 k( 87) = ( 0.4454546 0.4454546 0.0000000), wk = 0.0033223 k( 88) = ( 0.4363636 0.4363636 0.0000000), wk = 0.0033223 k( 89) = ( 0.4272727 0.4272727 0.0000000), wk = 0.0033223 k( 90) = ( 0.4181818 0.4181818 0.0000000), wk = 0.0033223 k( 91) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0033223 k( 92) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0033223 k( 93) = ( 0.3909091 0.3909091 0.0000000), wk = 0.0033223 k( 94) = ( 0.3818182 0.3818182 0.0000000), wk = 0.0033223 k( 95) = ( 0.3727273 0.3727273 0.0000000), wk = 0.0033223 k( 96) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0033223 k( 97) = ( 0.3545454 0.3545454 0.0000000), wk = 0.0033223 k( 98) = ( 0.3454546 0.3454546 0.0000000), wk = 0.0033223 k( 99) = ( 0.3363636 0.3363636 0.0000000), wk = 0.0033223 k( 100) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0033223 k( 101) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0033223 k( 102) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0033223 k( 103) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0033223 k( 104) = ( 0.2909091 0.2909091 0.0000000), wk = 0.0033223 k( 105) = ( 0.2818182 0.2818182 0.0000000), wk = 0.0033223 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0033223 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0033223 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0033223 k( 109) = ( 0.2454545 0.2454545 0.0000000), wk = 0.0033223 k( 110) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0033223 k( 111) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0033223 k( 112) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0033223 k( 113) = ( 0.2090909 0.2090909 0.0000000), wk = 0.0033223 k( 114) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0033223 k( 115) = ( 0.1909091 0.1909091 0.0000000), wk = 0.0033223 k( 116) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0033223 k( 117) = ( 0.1727273 0.1727273 0.0000000), wk = 0.0033223 k( 118) = ( 0.1636364 0.1636364 0.0000000), wk = 0.0033223 k( 119) = ( 0.1545455 0.1545455 0.0000000), wk = 0.0033223 k( 120) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0033223 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0033223 k( 122) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0033223 k( 123) = ( 0.1181818 0.1181818 0.0000000), wk = 0.0033223 k( 124) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0033223 k( 125) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0033223 k( 126) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0033223 k( 127) = ( 0.0818182 0.0818182 0.0000000), wk = 0.0033223 k( 128) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0033223 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0033223 k( 130) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0033223 k( 131) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0033223 k( 132) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0033223 k( 133) = ( 0.0272727 0.0272727 0.0000000), wk = 0.0033223 k( 134) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0033223 k( 135) = ( 0.0090909 0.0090909 0.0000000), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 138) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0033223 k( 139) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0033223 k( 140) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0033223 k( 141) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0033223 k( 142) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0033223 k( 143) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0033223 k( 144) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0033223 k( 145) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0033223 k( 146) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0033223 k( 147) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0033223 k( 148) = ( 0.0808824 0.0808824 0.0808824), wk = 0.0033223 k( 149) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0033223 k( 150) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0033223 k( 151) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0033223 k( 152) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0033223 k( 153) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0033223 k( 154) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0033223 k( 155) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0033223 k( 156) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0033223 k( 157) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0033223 k( 158) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0033223 k( 159) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0033223 k( 160) = ( 0.1691177 0.1691177 0.1691177), wk = 0.0033223 k( 161) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0033223 k( 162) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0033223 k( 163) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0033223 k( 164) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0033223 k( 165) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0033223 k( 166) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0033223 k( 167) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0033223 k( 168) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0033223 k( 169) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0033223 k( 170) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0033223 k( 171) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033223 k( 172) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0033223 k( 173) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0033223 k( 174) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0033223 k( 175) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0033223 k( 176) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0033223 k( 177) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0033223 k( 178) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0033223 k( 179) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0033223 k( 180) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0033223 k( 181) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0033223 k( 182) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0033223 k( 183) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0033223 k( 184) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0033223 k( 185) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0033223 k( 186) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0033223 k( 187) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0033223 k( 188) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0033223 k( 189) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0033223 k( 190) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0033223 k( 191) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0033223 k( 192) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0033223 k( 193) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0033223 k( 194) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0033223 k( 195) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0033223 k( 196) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0033223 k( 197) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0033223 k( 198) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0033223 k( 199) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0033223 k( 200) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0033223 k( 201) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0033223 k( 202) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0033223 k( 203) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0033223 k( 204) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0033223 k( 205) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 207) = ( 0.4909091 0.5000000 0.4909091), wk = 0.0033223 k( 208) = ( 0.4818182 0.5000000 0.4818182), wk = 0.0033223 k( 209) = ( 0.4727273 0.5000000 0.4727273), wk = 0.0033223 k( 210) = ( 0.4636364 0.5000000 0.4636364), wk = 0.0033223 k( 211) = ( 0.4545455 0.5000000 0.4545455), wk = 0.0033223 k( 212) = ( 0.4454546 0.5000000 0.4454546), wk = 0.0033223 k( 213) = ( 0.4363636 0.5000000 0.4363636), wk = 0.0033223 k( 214) = ( 0.4272727 0.5000000 0.4272727), wk = 0.0033223 k( 215) = ( 0.4181818 0.5000000 0.4181818), wk = 0.0033223 k( 216) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0033223 k( 217) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0033223 k( 218) = ( 0.3909091 0.5000000 0.3909091), wk = 0.0033223 k( 219) = ( 0.3818182 0.5000000 0.3818182), wk = 0.0033223 k( 220) = ( 0.3727273 0.5000000 0.3727273), wk = 0.0033223 k( 221) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0033223 k( 222) = ( 0.3545454 0.5000000 0.3545454), wk = 0.0033223 k( 223) = ( 0.3454546 0.5000000 0.3454546), wk = 0.0033223 k( 224) = ( 0.3363636 0.5000000 0.3363636), wk = 0.0033223 k( 225) = ( 0.3272727 0.5000000 0.3272727), wk = 0.0033223 k( 226) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0033223 k( 227) = ( 0.3090909 0.5000000 0.3090909), wk = 0.0033223 k( 228) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0033223 k( 229) = ( 0.2909091 0.5000000 0.2909091), wk = 0.0033223 k( 230) = ( 0.2818182 0.5000000 0.2818182), wk = 0.0033223 k( 231) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0033223 k( 232) = ( 0.2636364 0.5000000 0.2636364), wk = 0.0033223 k( 233) = ( 0.2545455 0.5000000 0.2545455), wk = 0.0033223 k( 234) = ( 0.2454545 0.5000000 0.2454545), wk = 0.0033223 k( 235) = ( 0.2363636 0.5000000 0.2363636), wk = 0.0033223 k( 236) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0033223 k( 237) = ( 0.2181818 0.5000000 0.2181818), wk = 0.0033223 k( 238) = ( 0.2090909 0.5000000 0.2090909), wk = 0.0033223 k( 239) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0033223 k( 240) = ( 0.1909091 0.5000000 0.1909091), wk = 0.0033223 k( 241) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0033223 k( 242) = ( 0.1727273 0.5000000 0.1727273), wk = 0.0033223 k( 243) = ( 0.1636364 0.5000000 0.1636364), wk = 0.0033223 k( 244) = ( 0.1545455 0.5000000 0.1545455), wk = 0.0033223 k( 245) = ( 0.1454545 0.5000000 0.1454545), wk = 0.0033223 k( 246) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0033223 k( 247) = ( 0.1272727 0.5000000 0.1272727), wk = 0.0033223 k( 248) = ( 0.1181818 0.5000000 0.1181818), wk = 0.0033223 k( 249) = ( 0.1090909 0.5000000 0.1090909), wk = 0.0033223 k( 250) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0033223 k( 251) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0033223 k( 252) = ( 0.0818182 0.5000000 0.0818182), wk = 0.0033223 k( 253) = ( 0.0727273 0.5000000 0.0727273), wk = 0.0033223 k( 254) = ( 0.0636364 0.5000000 0.0636364), wk = 0.0033223 k( 255) = ( 0.0545455 0.5000000 0.0545455), wk = 0.0033223 k( 256) = ( 0.0454546 0.5000000 0.0454546), wk = 0.0033223 k( 257) = ( 0.0363636 0.5000000 0.0363636), wk = 0.0033223 k( 258) = ( 0.0272727 0.5000000 0.0272727), wk = 0.0033223 k( 259) = ( 0.0181818 0.5000000 0.0181818), wk = 0.0033223 k( 260) = ( 0.0090909 0.5000000 0.0090909), wk = 0.0033223 k( 261) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033223 k( 262) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033223 k( 263) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0033223 k( 264) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0033223 k( 265) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033223 k( 266) = ( 0.5000000 0.5000000 0.0512821), wk = 0.0033223 k( 267) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0033223 k( 268) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033223 k( 269) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0033223 k( 270) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0033223 k( 271) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033223 k( 272) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0033223 k( 273) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0033223 k( 274) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033223 k( 275) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033223 k( 276) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0033223 k( 277) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033223 k( 278) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0033223 k( 279) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0033223 k( 280) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033223 k( 281) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0033223 k( 282) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0033223 k( 283) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033223 k( 284) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0033223 k( 285) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0033223 k( 286) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033223 k( 287) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0033223 k( 288) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033223 k( 289) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033223 k( 290) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0033223 k( 291) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0033223 k( 292) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033223 k( 293) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0033223 k( 294) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0033223 k( 295) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033223 k( 296) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0033223 k( 297) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0033223 k( 298) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033223 k( 299) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0033223 k( 300) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0033223 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 Dense grid: 68507 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 19597 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 148, 52) NL pseudopotentials 0.15 Mb ( 74, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1904) G-vector shells 0.00 Mb ( 429) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 148, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) The potential is recalculated from file : ./Pt3Pb.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.4 secs Computing kpt #: 7 total cpu time spent up to now is 8.1 secs Computing kpt #: 8 total cpu time spent up to now is 8.7 secs Computing kpt #: 9 total cpu time spent up to now is 9.4 secs Computing kpt #: 10 total cpu time spent up to now is 10.2 secs Computing kpt #: 11 total cpu time spent up to now is 11.0 secs Computing kpt #: 12 total cpu time spent up to now is 11.6 secs Computing kpt #: 13 total cpu time spent up to now is 12.1 secs Computing kpt #: 14 total cpu time spent up to now is 12.6 secs Computing kpt #: 15 total cpu time spent up to now is 13.0 secs Computing kpt #: 16 total cpu time spent up to now is 13.5 secs Computing kpt #: 17 total cpu time spent up to now is 13.9 secs Computing kpt #: 18 total cpu time spent up to now is 14.3 secs Computing kpt #: 19 total cpu time spent up to now is 14.8 secs Computing kpt #: 20 total cpu time spent up to now is 15.2 secs Computing kpt #: 21 total cpu time spent up to now is 15.6 secs Computing kpt #: 22 total cpu time spent up to now is 16.0 secs Computing kpt #: 23 total cpu time spent up to now is 16.4 secs Computing kpt #: 24 total cpu time spent up to now is 16.9 secs Computing kpt #: 25 total cpu time spent up to now is 17.3 secs Computing kpt #: 26 total cpu time spent up to now is 17.7 secs Computing kpt #: 27 total cpu time spent up to now is 18.2 secs Computing kpt #: 28 total cpu time spent up to now is 18.6 secs Computing kpt #: 29 total cpu time spent up to now is 19.1 secs Computing kpt #: 30 total cpu time spent up to now is 19.5 secs Computing kpt #: 31 total cpu time spent up to now is 20.0 secs Computing kpt #: 32 total cpu time spent up to now is 20.5 secs Computing kpt #: 33 total cpu time spent up to now is 21.0 secs Computing kpt #: 34 total cpu time spent up to now is 21.6 secs Computing kpt #: 35 total cpu time spent up to now is 22.1 secs Computing kpt #: 36 total cpu time spent up to now is 22.6 secs Computing kpt #: 37 total cpu time spent up to now is 23.2 secs Computing kpt #: 38 total cpu time spent up to now is 23.6 secs Computing kpt #: 39 total cpu time spent up to now is 24.1 secs Computing kpt #: 40 total cpu time spent up to now is 24.6 secs Computing kpt #: 41 total cpu time spent up to now is 25.0 secs Computing kpt #: 42 total cpu time spent up to now is 25.5 secs Computing kpt #: 43 total cpu time spent up to now is 26.0 secs Computing kpt #: 44 total cpu time spent up to now is 26.4 secs Computing kpt #: 45 total cpu time spent up to now is 26.9 secs Computing kpt #: 46 total cpu time spent up to now is 27.3 secs Computing kpt #: 47 total cpu time spent up to now is 27.7 secs Computing kpt #: 48 total cpu time spent up to now is 28.1 secs Computing kpt #: 49 total cpu time spent up to now is 28.5 secs Computing kpt #: 50 total cpu time spent up to now is 28.9 secs Computing kpt #: 51 total cpu time spent up to now is 29.3 secs Computing kpt #: 52 total cpu time spent up to now is 29.6 secs Computing kpt #: 53 total cpu time spent up to now is 30.0 secs Computing kpt #: 54 total cpu time spent up to now is 30.4 secs Computing kpt #: 55 total cpu time spent up to now is 30.8 secs Computing kpt #: 56 total cpu time spent up to now is 31.1 secs Computing kpt #: 57 total cpu time spent up to now is 31.5 secs Computing kpt #: 58 total cpu time spent up to now is 31.9 secs Computing kpt #: 59 total cpu time spent up to now is 32.3 secs Computing kpt #: 60 total cpu time spent up to now is 32.6 secs Computing kpt #: 61 total cpu time spent up to now is 33.0 secs Computing kpt #: 62 total cpu time spent up to now is 33.4 secs Computing kpt #: 63 total cpu time spent up to now is 33.7 secs Computing kpt #: 64 total cpu time spent up to now is 34.1 secs Computing kpt #: 65 total cpu time spent up to now is 34.5 secs Computing kpt #: 66 total cpu time spent up to now is 34.8 secs Computing kpt #: 67 total cpu time spent up to now is 35.2 secs Computing kpt #: 68 total cpu time spent up to now is 35.6 secs Computing kpt #: 69 total cpu time spent up to now is 35.9 secs Computing kpt #: 70 total cpu time spent up to now is 36.3 secs Computing kpt #: 71 total cpu time spent up to now is 36.8 secs Computing kpt #: 72 total cpu time spent up to now is 37.2 secs Computing kpt #: 73 total cpu time spent up to now is 37.6 secs Computing kpt #: 74 total cpu time spent up to now is 38.0 secs Computing kpt #: 75 total cpu time spent up to now is 38.4 secs Computing kpt #: 76 total cpu time spent up to now is 38.8 secs Computing kpt #: 77 total cpu time spent up to now is 39.3 secs Computing kpt #: 78 total cpu time spent up to now is 39.7 secs Computing kpt #: 79 total cpu time spent up to now is 40.1 secs Computing kpt #: 80 total cpu time spent up to now is 40.5 secs Computing kpt #: 81 total cpu time spent up to now is 40.9 secs Computing kpt #: 82 total cpu time spent up to now is 41.3 secs Computing kpt #: 83 total cpu time spent up to now is 41.7 secs Computing kpt #: 84 total cpu time spent up to now is 42.1 secs Computing kpt #: 85 total cpu time spent up to now is 42.6 secs Computing kpt #: 86 total cpu time spent up to now is 43.0 secs Computing kpt #: 87 total cpu time spent up to now is 43.4 secs Computing kpt #: 88 total cpu time spent up to now is 43.8 secs Computing kpt #: 89 total cpu time spent up to now is 44.2 secs Computing kpt #: 90 total cpu time spent up to now is 44.5 secs Computing kpt #: 91 total cpu time spent up to now is 44.9 secs Computing kpt #: 92 total cpu time spent up to now is 45.3 secs Computing kpt #: 93 total cpu time spent up to now is 45.6 secs Computing kpt #: 94 total cpu time spent up to now is 46.0 secs Computing kpt #: 95 total cpu time spent up to now is 46.4 secs Computing kpt #: 96 total cpu time spent up to now is 46.7 secs Computing kpt #: 97 total cpu time spent up to now is 47.1 secs Computing kpt #: 98 total cpu time spent up to now is 47.5 secs Computing kpt #: 99 total cpu time spent up to now is 47.8 secs Computing kpt #: 100 total cpu time spent up to now is 48.2 secs Computing kpt #: 101 total cpu time spent up to now is 48.5 secs Computing kpt #: 102 total cpu time spent up to now is 48.9 secs Computing kpt #: 103 total cpu time spent up to now is 49.3 secs Computing kpt #: 104 total cpu time spent up to now is 49.7 secs Computing kpt #: 105 total cpu time spent up to now is 50.0 secs Computing kpt #: 106 total cpu time spent up to now is 50.4 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 51.3 secs Computing kpt #: 109 total cpu time spent up to now is 51.7 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 53.8 secs Computing kpt #: 115 total cpu time spent up to now is 54.3 secs Computing kpt #: 116 total cpu time spent up to now is 54.7 secs Computing kpt #: 117 total cpu time spent up to now is 55.1 secs Computing kpt #: 118 total cpu time spent up to now is 55.5 secs Computing kpt #: 119 total cpu time spent up to now is 55.9 secs Computing kpt #: 120 total cpu time spent up to now is 56.4 secs Computing kpt #: 121 total cpu time spent up to now is 56.8 secs Computing kpt #: 122 total cpu time spent up to now is 57.2 secs Computing kpt #: 123 total cpu time spent up to now is 57.7 secs Computing kpt #: 124 total cpu time spent up to now is 58.1 secs Computing kpt #: 125 total cpu time spent up to now is 58.6 secs Computing kpt #: 126 total cpu time spent up to now is 59.0 secs Computing kpt #: 127 total cpu time spent up to now is 59.4 secs Computing kpt #: 128 total cpu time spent up to now is 59.9 secs Computing kpt #: 129 total cpu time spent up to now is 60.4 secs Computing kpt #: 130 total cpu time spent up to now is 60.8 secs Computing kpt #: 131 total cpu time spent up to now is 61.4 secs Computing kpt #: 132 total cpu time spent up to now is 62.0 secs Computing kpt #: 133 total cpu time spent up to now is 62.8 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 64.7 secs Computing kpt #: 136 total cpu time spent up to now is 65.1 secs Computing kpt #: 137 total cpu time spent up to now is 65.4 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.6 secs Computing kpt #: 139 total cpu time spent up to now is 67.4 secs Computing kpt #: 140 total cpu time spent up to now is 68.1 secs Computing kpt #: 141 total cpu time spent up to now is 68.8 secs Computing kpt #: 142 total cpu time spent up to now is 69.4 secs Computing kpt #: 143 total cpu time spent up to now is 70.0 secs Computing kpt #: 144 total cpu time spent up to now is 70.6 secs Computing kpt #: 145 total cpu time spent up to now is 71.0 secs Computing kpt #: 146 total cpu time spent up to now is 71.5 secs Computing kpt #: 147 total cpu time spent up to now is 71.9 secs Computing kpt #: 148 total cpu time spent up to now is 72.4 secs Computing kpt #: 149 total cpu time spent up to now is 72.8 secs Computing kpt #: 150 total cpu time spent up to now is 73.2 secs Computing kpt #: 151 total cpu time spent up to now is 73.7 secs Computing kpt #: 152 total cpu time spent up to now is 74.1 secs Computing kpt #: 153 total cpu time spent up to now is 74.5 secs Computing kpt #: 154 total cpu time spent up to now is 75.0 secs Computing kpt #: 155 total cpu time spent up to now is 75.4 secs Computing kpt #: 156 total cpu time spent up to now is 75.8 secs Computing kpt #: 157 total cpu time spent up to now is 76.2 secs Computing kpt #: 158 total cpu time spent up to now is 76.7 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 77.5 secs Computing kpt #: 161 total cpu time spent up to now is 77.9 secs Computing kpt #: 162 total cpu time spent up to now is 78.3 secs Computing kpt #: 163 total cpu time spent up to now is 78.8 secs Computing kpt #: 164 total cpu time spent up to now is 79.2 secs Computing kpt #: 165 total cpu time spent up to now is 79.6 secs Computing kpt #: 166 total cpu time spent up to now is 80.0 secs Computing kpt #: 167 total cpu time spent up to now is 80.4 secs Computing kpt #: 168 total cpu time spent up to now is 80.8 secs Computing kpt #: 169 total cpu time spent up to now is 81.2 secs Computing kpt #: 170 total cpu time spent up to now is 81.6 secs Computing kpt #: 171 total cpu time spent up to now is 82.0 secs Computing kpt #: 172 total cpu time spent up to now is 82.3 secs Computing kpt #: 173 total cpu time spent up to now is 82.8 secs Computing kpt #: 174 total cpu time spent up to now is 83.2 secs Computing kpt #: 175 total cpu time spent up to now is 83.6 secs Computing kpt #: 176 total cpu time spent up to now is 84.0 secs Computing kpt #: 177 total cpu time spent up to now is 84.5 secs Computing kpt #: 178 total cpu time spent up to now is 84.9 secs Computing kpt #: 179 total cpu time spent up to now is 85.3 secs Computing kpt #: 180 total cpu time spent up to now is 85.7 secs Computing kpt #: 181 total cpu time spent up to now is 86.1 secs Computing kpt #: 182 total cpu time spent up to now is 86.6 secs Computing kpt #: 183 total cpu time spent up to now is 87.0 secs Computing kpt #: 184 total cpu time spent up to now is 87.4 secs Computing kpt #: 185 total cpu time spent up to now is 87.9 secs Computing kpt #: 186 total cpu time spent up to now is 88.3 secs Computing kpt #: 187 total cpu time spent up to now is 88.7 secs Computing kpt #: 188 total cpu time spent up to now is 89.2 secs Computing kpt #: 189 total cpu time spent up to now is 89.6 secs Computing kpt #: 190 total cpu time spent up to now is 90.0 secs Computing kpt #: 191 total cpu time spent up to now is 90.4 secs Computing kpt #: 192 total cpu time spent up to now is 90.8 secs Computing kpt #: 193 total cpu time spent up to now is 91.2 secs Computing kpt #: 194 total cpu time spent up to now is 91.7 secs Computing kpt #: 195 total cpu time spent up to now is 92.1 secs Computing kpt #: 196 total cpu time spent up to now is 92.5 secs Computing kpt #: 197 total cpu time spent up to now is 93.0 secs Computing kpt #: 198 total cpu time spent up to now is 93.4 secs Computing kpt #: 199 total cpu time spent up to now is 93.9 secs Computing kpt #: 200 total cpu time spent up to now is 94.3 secs Computing kpt #: 201 total cpu time spent up to now is 94.7 secs Computing kpt #: 202 total cpu time spent up to now is 95.1 secs Computing kpt #: 203 total cpu time spent up to now is 95.5 secs Computing kpt #: 204 total cpu time spent up to now is 95.8 secs Computing kpt #: 205 total cpu time spent up to now is 96.2 secs Computing kpt #: 206 total cpu time spent up to now is 96.6 secs Computing kpt #: 207 total cpu time spent up to now is 96.9 secs Computing kpt #: 208 total cpu time spent up to now is 97.3 secs Computing kpt #: 209 total cpu time spent up to now is 97.7 secs Computing kpt #: 210 total cpu time spent up to now is 98.1 secs Computing kpt #: 211 total cpu time spent up to now is 98.6 secs Computing kpt #: 212 total cpu time spent up to now is 99.0 secs Computing kpt #: 213 total cpu time spent up to now is 99.4 secs Computing kpt #: 214 total cpu time spent up to now is 99.9 secs Computing kpt #: 215 total cpu time spent up to now is 100.3 secs Computing kpt #: 216 total cpu time spent up to now is 100.8 secs Computing kpt #: 217 total cpu time spent up to now is 101.2 secs Computing kpt #: 218 total cpu time spent up to now is 101.7 secs Computing kpt #: 219 total cpu time spent up to now is 102.1 secs Computing kpt #: 220 total cpu time spent up to now is 102.6 secs Computing kpt #: 221 total cpu time spent up to now is 103.0 secs Computing kpt #: 222 total cpu time spent up to now is 103.4 secs Computing kpt #: 223 total cpu time spent up to now is 103.8 secs Computing kpt #: 224 total cpu time spent up to now is 104.2 secs Computing kpt #: 225 total cpu time spent up to now is 104.6 secs Computing kpt #: 226 total cpu time spent up to now is 105.0 secs Computing kpt #: 227 total cpu time spent up to now is 105.4 secs Computing kpt #: 228 total cpu time spent up to now is 105.8 secs Computing kpt #: 229 total cpu time spent up to now is 106.1 secs Computing kpt #: 230 total cpu time spent up to now is 106.5 secs Computing kpt #: 231 total cpu time spent up to now is 106.8 secs Computing kpt #: 232 total cpu time spent up to now is 107.2 secs Computing kpt #: 233 total cpu time spent up to now is 107.5 secs Computing kpt #: 234 total cpu time spent up to now is 107.9 secs Computing kpt #: 235 total cpu time spent up to now is 108.2 secs Computing kpt #: 236 total cpu time spent up to now is 108.5 secs Computing kpt #: 237 total cpu time spent up to now is 108.9 secs Computing kpt #: 238 total cpu time spent up to now is 109.2 secs Computing kpt #: 239 total cpu time spent up to now is 109.5 secs Computing kpt #: 240 total cpu time spent up to now is 109.9 secs Computing kpt #: 241 total cpu time spent up to now is 110.2 secs Computing kpt #: 242 total cpu time spent up to now is 110.6 secs Computing kpt #: 243 total cpu time spent up to now is 110.9 secs Computing kpt #: 244 total cpu time spent up to now is 111.3 secs Computing kpt #: 245 total cpu time spent up to now is 111.6 secs Computing kpt #: 246 total cpu time spent up to now is 112.0 secs Computing kpt #: 247 total cpu time spent up to now is 112.4 secs Computing kpt #: 248 total cpu time spent up to now is 112.8 secs Computing kpt #: 249 total cpu time spent up to now is 113.3 secs Computing kpt #: 250 total cpu time spent up to now is 113.7 secs Computing kpt #: 251 total cpu time spent up to now is 114.2 secs Computing kpt #: 252 total cpu time spent up to now is 114.7 secs Computing kpt #: 253 total cpu time spent up to now is 115.2 secs Computing kpt #: 254 total cpu time spent up to now is 115.6 secs Computing kpt #: 255 total cpu time spent up to now is 116.1 secs Computing kpt #: 256 total cpu time spent up to now is 116.5 secs Computing kpt #: 257 total cpu time spent up to now is 117.0 secs Computing kpt #: 258 total cpu time spent up to now is 117.5 secs Computing kpt #: 259 total cpu time spent up to now is 117.9 secs Computing kpt #: 260 total cpu time spent up to now is 118.4 secs Computing kpt #: 261 total cpu time spent up to now is 118.9 secs Computing kpt #: 262 total cpu time spent up to now is 119.3 secs Computing kpt #: 263 total cpu time spent up to now is 119.7 secs Computing kpt #: 264 total cpu time spent up to now is 120.1 secs Computing kpt #: 265 total cpu time spent up to now is 120.5 secs Computing kpt #: 266 total cpu time spent up to now is 120.9 secs Computing kpt #: 267 total cpu time spent up to now is 121.4 secs Computing kpt #: 268 total cpu time spent up to now is 121.8 secs Computing kpt #: 269 total cpu time spent up to now is 122.3 secs Computing kpt #: 270 total cpu time spent up to now is 122.8 secs Computing kpt #: 271 total cpu time spent up to now is 123.2 secs Computing kpt #: 272 total cpu time spent up to now is 123.7 secs Computing kpt #: 273 total cpu time spent up to now is 124.2 secs Computing kpt #: 274 total cpu time spent up to now is 124.7 secs Computing kpt #: 275 total cpu time spent up to now is 125.1 secs Computing kpt #: 276 total cpu time spent up to now is 125.6 secs Computing kpt #: 277 total cpu time spent up to now is 126.0 secs Computing kpt #: 278 total cpu time spent up to now is 126.5 secs Computing kpt #: 279 total cpu time spent up to now is 127.0 secs Computing kpt #: 280 total cpu time spent up to now is 127.4 secs Computing kpt #: 281 total cpu time spent up to now is 128.0 secs Computing kpt #: 282 total cpu time spent up to now is 128.5 secs Computing kpt #: 283 total cpu time spent up to now is 129.0 secs Computing kpt #: 284 total cpu time spent up to now is 129.5 secs Computing kpt #: 285 total cpu time spent up to now is 130.0 secs Computing kpt #: 286 total cpu time spent up to now is 130.5 secs Computing kpt #: 287 total cpu time spent up to now is 131.0 secs Computing kpt #: 288 total cpu time spent up to now is 131.4 secs Computing kpt #: 289 total cpu time spent up to now is 131.9 secs Computing kpt #: 290 total cpu time spent up to now is 132.3 secs Computing kpt #: 291 total cpu time spent up to now is 132.8 secs Computing kpt #: 292 total cpu time spent up to now is 133.2 secs Computing kpt #: 293 total cpu time spent up to now is 133.7 secs Computing kpt #: 294 total cpu time spent up to now is 134.1 secs Computing kpt #: 295 total cpu time spent up to now is 134.5 secs Computing kpt #: 296 total cpu time spent up to now is 134.9 secs Computing kpt #: 297 total cpu time spent up to now is 135.3 secs Computing kpt #: 298 total cpu time spent up to now is 135.7 secs Computing kpt #: 299 total cpu time spent up to now is 136.1 secs Computing kpt #: 300 total cpu time spent up to now is 136.4 secs Computing kpt #: 301 total cpu time spent up to now is 136.8 secs ethr = 2.27E-08, avg # of iterations = 25.7 total cpu time spent up to now is 136.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -1.0676 -1.0676 -1.0676 -1.0676 1.4036 1.4036 1.4036 1.4036 1.4473 1.4473 5.2211 5.2211 10.6417 10.6417 12.1833 12.1833 12.1833 12.1833 12.2257 12.2257 12.2959 12.2959 12.2959 12.2959 14.9749 14.9749 14.9749 14.9749 15.4960 15.4960 15.7183 15.7183 16.4690 16.4690 16.4690 16.4690 16.7747 16.7747 16.7747 16.7747 17.2343 17.2343 17.2743 17.2743 17.9439 17.9439 17.9439 17.9439 19.3564 19.3564 23.7839 23.7839 k = 0.0000 0.0128-0.0000 ( 2493 PWs) bands (ev): -1.0675 -1.0675 -1.0675 -1.0675 1.4037 1.4037 1.4038 1.4038 1.4474 1.4474 5.2228 5.2228 10.6428 10.6428 12.1836 12.1836 12.1838 12.1838 12.2260 12.2260 12.2946 12.2946 12.2972 12.2972 14.9630 14.9630 14.9730 14.9730 15.4924 15.4924 15.7274 15.7274 16.4660 16.4660 16.4664 16.4664 16.7533 16.7533 16.7792 16.7792 17.2465 17.2465 17.2730 17.2730 17.9465 17.9465 17.9471 17.9471 19.3645 19.3645 23.7788 23.7790 k = 0.0000 0.0256-0.0000 ( 2493 PWs) bands (ev): -1.0674 -1.0674 -1.0672 -1.0672 1.4039 1.4039 1.4044 1.4044 1.4476 1.4476 5.2280 5.2280 10.6462 10.6462 12.1843 12.1843 12.1851 12.1851 12.2271 12.2271 12.2906 12.2906 12.3010 12.3010 14.9292 14.9292 14.9672 14.9672 15.4817 15.4817 15.7522 15.7522 16.4577 16.4577 16.4579 16.4579 16.6968 16.6968 16.7914 16.7914 17.2690 17.2690 17.2768 17.2768 17.9540 17.9540 17.9568 17.9568 19.3882 19.3882 23.7644 23.7644 k = 0.0000 0.0385-0.0000 ( 2493 PWs) bands (ev): -1.0672 -1.0672 -1.0668 -1.0668 1.4043 1.4043 1.4053 1.4053 1.4479 1.4479 5.2366 5.2366 10.6517 10.6517 12.1853 12.1853 12.1873 12.1873 12.2288 12.2288 12.2840 12.2840 12.3073 12.3073 14.8783 14.8783 14.9576 14.9576 15.4648 15.4648 15.7871 15.7871 16.4407 16.4407 16.4457 16.4457 16.6216 16.6216 16.8087 16.8087 17.2623 17.2623 17.3144 17.3144 17.9662 17.9662 17.9735 17.9735 19.4258 19.4258 23.7430 23.7430 k = 0.0000 0.0513-0.0000 ( 2493 PWs) bands (ev): -1.0669 -1.0669 -1.0661 -1.0661 1.4047 1.4047 1.4065 1.4065 1.4483 1.4483 5.2487 5.2487 10.6594 10.6594 12.1862 12.1862 12.1902 12.1902 12.2312 12.2312 12.2752 12.2752 12.3162 12.3162 14.8151 14.8151 14.9439 14.9439 15.4427 15.4427 15.8249 15.8249 16.4069 16.4069 16.4315 16.4315 16.5473 16.5473 16.8278 16.8278 17.2530 17.2530 17.3525 17.3525 17.9827 17.9827 17.9982 17.9982 19.4746 19.4746 23.7180 23.7180 k = 0.0000 0.0641-0.0000 ( 2485 PWs) bands (ev): -1.0666 -1.0666 -1.0653 -1.0653 1.4054 1.4054 1.4081 1.4081 1.4489 1.4489 5.2642 5.2642 10.6692 10.6692 12.1859 12.1859 12.1939 12.1939 12.2342 12.2342 12.2649 12.2649 12.3277 12.3277 14.7439 14.7439 14.9262 14.9262 15.4168 15.4168 15.8569 15.8569 16.3464 16.3464 16.4161 16.4161 16.4943 16.4943 16.8458 16.8458 17.2410 17.2410 17.3879 17.3879 18.0034 18.0034 18.0315 18.0315 19.5314 19.5314 23.6930 23.6931 k = 0.0000 0.0769-0.0000 ( 2477 PWs) bands (ev): -1.0662 -1.0662 -1.0643 -1.0643 1.4061 1.4061 1.4100 1.4100 1.4495 1.4495 5.2831 5.2831 10.6810 10.6810 12.1827 12.1827 12.1983 12.1983 12.2379 12.2379 12.2548 12.2548 12.3417 12.3417 14.6675 14.6675 14.9042 14.9042 15.3884 15.3884 15.8713 15.8713 16.2732 16.2732 16.4004 16.4004 16.4613 16.4613 16.8600 16.8600 17.2263 17.2263 17.4202 17.4202 18.0283 18.0283 18.0746 18.0746 19.5923 19.5923 23.6720 23.6720 k = 0.0000 0.0897-0.0000 ( 2477 PWs) bands (ev): -1.0657 -1.0657 -1.0632 -1.0632 1.4070 1.4070 1.4123 1.4123 1.4503 1.4503 5.3054 5.3054 10.6946 10.6946 12.1736 12.1736 12.2033 12.2033 12.2421 12.2421 12.2476 12.2476 12.3584 12.3584 14.5883 14.5883 14.8782 14.8782 15.3588 15.3588 15.8513 15.8513 16.2165 16.2165 16.3843 16.3843 16.4359 16.4359 16.8686 16.8686 17.2089 17.2089 17.4494 17.4494 18.0579 18.0579 18.1278 18.1278 19.6535 19.6535 23.6583 23.6583 k = 0.0000 0.1026-0.0000 ( 2477 PWs) bands (ev): -1.0651 -1.0651 -1.0619 -1.0619 1.4079 1.4079 1.4148 1.4148 1.4512 1.4512 5.3310 5.3310 10.7098 10.7098 12.1565 12.1565 12.2088 12.2088 12.2452 12.2452 12.2469 12.2469 12.3777 12.3777 14.5077 14.5077 14.8481 14.8481 15.3292 15.3292 15.7884 15.7884 16.1908 16.1908 16.3679 16.3679 16.4125 16.4125 16.8707 16.8707 17.1889 17.1889 17.4762 17.4762 18.0928 18.0928 18.1914 18.1914 19.7112 19.7112 23.6549 23.6549 k = 0.0000 0.1154-0.0000 ( 2477 PWs) bands (ev): -1.0645 -1.0645 -1.0605 -1.0605 1.4090 1.4090 1.4177 1.4177 1.4522 1.4522 5.3600 5.3600 10.7265 10.7265 12.1315 12.1315 12.2147 12.2147 12.2472 12.2472 12.2523 12.2523 12.3996 12.3996 14.4270 14.4270 14.8145 14.8145 15.3002 15.3002 15.6941 15.6941 16.1861 16.1861 16.3510 16.3510 16.3899 16.3899 16.8658 16.8658 17.1662 17.1662 17.5009 17.5009 18.1339 18.1339 18.2652 18.2652 19.7623 19.7623 23.6645 23.6645 k = 0.0000 0.1282-0.0000 ( 2469 PWs) bands (ev): -1.0638 -1.0638 -1.0589 -1.0589 1.4102 1.4102 1.4208 1.4208 1.4533 1.4533 5.3924 5.3924 10.7443 10.7443 12.1000 12.1000 12.2211 12.2211 12.2521 12.2521 12.2583 12.2583 12.4241 12.4241 14.3472 14.3472 14.7778 14.7778 15.2723 15.2723 15.5846 15.5846 16.1867 16.1867 16.3334 16.3334 16.3683 16.3683 16.8539 16.8539 17.1410 17.1410 17.5237 17.5237 18.1821 18.1821 18.3486 18.3486 19.8039 19.8039 23.6888 23.6889 k = 0.0000 0.1410-0.0000 ( 2469 PWs) bands (ev): -1.0630 -1.0630 -1.0572 -1.0572 1.4115 1.4115 1.4242 1.4242 1.4545 1.4545 5.4279 5.4279 10.7629 10.7629 12.0628 12.0628 12.2279 12.2279 12.2589 12.2589 12.2647 12.2647 12.4510 12.4510 14.2691 14.2691 14.7386 14.7386 15.2458 15.2458 15.4696 15.4696 16.1829 16.1829 16.3147 16.3147 16.3482 16.3482 16.8355 16.8355 17.1135 17.1135 17.5446 17.5446 18.2384 18.2384 18.4409 18.4409 19.8341 19.8341 23.6907 23.6907 k = 0.0000 0.1538-0.0000 ( 2469 PWs) bands (ev): -1.0622 -1.0622 -1.0554 -1.0554 1.4129 1.4129 1.4278 1.4278 1.4557 1.4557 5.4668 5.4668 10.7817 10.7817 12.0207 12.0207 12.2349 12.2349 12.2669 12.2669 12.2715 12.2715 12.4803 12.4803 14.1934 14.1934 14.6977 14.6977 15.2207 15.2207 15.3540 15.3540 16.1705 16.1705 16.2948 16.2948 16.3297 16.3297 16.8111 16.8111 17.0840 17.0840 17.5636 17.5636 18.3030 18.3030 18.5412 18.5412 19.8517 19.8517 23.6741 23.6741 k = 0.0000 0.1667-0.0000 ( 2465 PWs) bands (ev): -1.0614 -1.0614 -1.0535 -1.0535 1.4144 1.4144 1.4316 1.4316 1.4571 1.4571 5.5088 5.5088 10.8000 10.8000 11.9742 11.9742 12.2422 12.2422 12.2756 12.2756 12.2788 12.2788 12.5120 12.5120 14.1207 14.1207 14.6560 14.6560 15.1969 15.1969 15.2407 15.2407 16.1491 16.1491 16.2733 16.2733 16.3119 16.3119 16.7813 16.7813 17.0530 17.0530 17.5804 17.5804 18.3763 18.3763 18.6487 18.6487 19.8566 19.8566 23.6565 23.6565 k = 0.0000 0.1795-0.0000 ( 2469 PWs) bands (ev): -1.0605 -1.0605 -1.0515 -1.0515 1.4159 1.4159 1.4356 1.4356 1.4585 1.4585 5.5539 5.5539 10.8170 10.8170 11.9242 11.9242 12.2497 12.2497 12.2849 12.2849 12.2864 12.2864 12.5460 12.5460 14.0516 14.0516 14.6140 14.6140 15.1311 15.1311 15.1744 15.1744 16.1200 16.1200 16.2499 16.2499 16.2929 16.2929 16.7465 16.7465 17.0209 17.0209 17.5953 17.5953 18.4580 18.4580 18.7624 18.7624 19.8489 19.8489 23.6379 23.6379 k = 0.0000 0.1923-0.0000 ( 2473 PWs) bands (ev): -1.0596 -1.0596 -1.0494 -1.0494 1.4175 1.4175 1.4397 1.4397 1.4600 1.4600 5.6020 5.6020 10.8314 10.8314 11.8718 11.8718 12.2573 12.2573 12.2942 12.2942 12.2944 12.2944 12.5821 12.5821 13.9866 13.9866 14.5724 14.5724 15.0263 15.0263 15.1531 15.1531 16.0851 16.0851 16.2243 16.2243 16.2712 16.2712 16.7072 16.7072 16.9883 16.9883 17.6081 17.6081 18.5475 18.5475 18.8817 18.8817 19.8299 19.8299 23.6186 23.6186 k = 0.0000 0.2051-0.0000 ( 2473 PWs) bands (ev): -1.0586 -1.0586 -1.0472 -1.0472 1.4191 1.4191 1.4440 1.4440 1.4615 1.4615 5.6532 5.6532 10.8416 10.8416 11.8185 11.8185 12.2650 12.2650 12.3021 12.3021 12.3040 12.3040 12.6203 12.6203 13.9261 13.9261 14.5320 14.5320 14.9268 14.9268 15.1327 15.1327 16.0459 16.0459 16.1964 16.1964 16.2458 16.2458 16.6638 16.6638 16.9558 16.9558 17.6191 17.6191 18.6439 18.6439 19.0058 19.0058 19.8009 19.8009 23.5985 23.5985 k = 0.0000 0.2179-0.0000 ( 2469 PWs) bands (ev): -1.0577 -1.0577 -1.0450 -1.0450 1.4207 1.4207 1.4483 1.4483 1.4630 1.4630 5.7072 5.7072 10.8456 10.8456 11.7666 11.7666 12.2728 12.2728 12.3101 12.3101 12.3135 12.3135 12.6605 12.6605 13.8704 13.8704 14.4933 14.4933 14.8331 14.8331 15.1132 15.1132 16.0036 16.0036 16.1661 16.1661 16.2164 16.2164 16.6165 16.6165 16.9240 16.9240 17.6285 17.6285 18.7462 18.7462 19.1341 19.1341 19.7637 19.7637 23.5779 23.5779 k = 0.0000 0.2308-0.0000 ( 2469 PWs) bands (ev): -1.0567 -1.0567 -1.0428 -1.0428 1.4224 1.4224 1.4528 1.4528 1.4646 1.4646 5.7639 5.7639 10.8408 10.8408 11.7189 11.7189 12.2806 12.2806 12.3181 12.3181 12.3228 12.3228 12.7024 12.7024 13.8199 13.8199 14.4566 14.4566 14.7451 14.7451 15.0946 15.0946 15.9589 15.9589 16.1331 16.1331 16.1831 16.1831 16.5657 16.5657 16.8934 16.8934 17.6366 17.6366 18.8532 18.8532 19.2663 19.2663 19.7204 19.7204 23.5568 23.5568 k = 0.0000 0.2436-0.0000 ( 2453 PWs) bands (ev): -1.0557 -1.0557 -1.0405 -1.0405 1.4241 1.4241 1.4573 1.4573 1.4663 1.4663 5.8234 5.8234 10.8245 10.8245 11.6784 11.6784 12.2884 12.2884 12.3260 12.3260 12.3316 12.3316 12.7461 12.7461 13.7746 13.7746 14.4225 14.4225 14.6629 14.6629 15.0768 15.0768 15.9126 15.9126 16.0975 16.0975 16.1460 16.1460 16.5115 16.5115 16.8644 16.8644 17.6434 17.6434 18.9632 18.9632 19.4017 19.4017 19.6733 19.6733 23.5355 23.5355 k = 0.0000 0.2564-0.0000 ( 2457 PWs) bands (ev): -1.0547 -1.0547 -1.0382 -1.0382 1.4258 1.4258 1.4618 1.4618 1.4679 1.4679 5.8853 5.8853 10.7942 10.7942 11.6479 11.6479 12.2961 12.2961 12.3337 12.3337 12.3397 12.3397 12.7911 12.7911 13.7347 13.7347 14.3913 14.3913 14.5864 14.5864 15.0599 15.0599 15.8652 15.8652 16.0594 16.0594 16.1057 16.1057 16.4543 16.4543 16.8373 16.8373 17.6493 17.6493 19.0734 19.0734 19.5401 19.5401 19.6258 19.6258 23.5140 23.5140 k = 0.0000 0.2692-0.0000 ( 2457 PWs) bands (ev): -1.0537 -1.0537 -1.0360 -1.0360 1.4275 1.4275 1.4663 1.4663 1.4695 1.4695 5.9496 5.9496 10.7486 10.7486 11.6293 11.6293 12.3036 12.3036 12.3411 12.3411 12.3472 12.3472 12.8375 12.8375 13.7001 13.7001 14.3632 14.3632 14.5153 14.5153 15.0439 15.0439 15.8171 15.8171 16.0190 16.0190 16.0625 16.0625 16.3944 16.3944 16.8123 16.8123 17.6543 17.6543 19.1782 19.1782 19.5842 19.5842 19.6811 19.6811 23.4925 23.4925 k = 0.0000 0.2821-0.0000 ( 2449 PWs) bands (ev): -1.0527 -1.0527 -1.0337 -1.0337 1.4292 1.4292 1.4707 1.4707 1.4711 1.4711 6.0160 6.0160 10.6882 10.6882 11.6228 11.6228 12.3108 12.3108 12.3483 12.3483 12.3538 12.3538 12.8849 12.8849 13.6708 13.6708 14.3385 14.3385 14.4492 14.4492 15.0289 15.0289 15.7689 15.7689 15.9765 15.9765 16.0170 16.0170 16.3322 16.3322 16.7895 16.7895 17.6587 17.6587 19.2630 19.2630 19.5636 19.5636 19.8244 19.8244 23.4711 23.4711 k = 0.0000 0.2949-0.0000 ( 2461 PWs) bands (ev): -1.0517 -1.0517 -1.0315 -1.0315 1.4308 1.4308 1.4727 1.4727 1.4751 1.4751 6.0844 6.0844 10.6145 10.6145 11.6274 11.6274 12.3177 12.3177 12.3551 12.3551 12.3594 12.3594 12.9331 12.9331 13.6467 13.6467 14.3173 14.3173 14.3880 14.3880 15.0149 15.0149 15.7209 15.7209 15.9321 15.9321 15.9695 15.9695 16.2679 16.2679 16.7689 16.7689 17.6626 17.6626 19.2992 19.2992 19.5929 19.5929 19.9696 19.9696 23.4499 23.4499 k = 0.0000 0.3077-0.0000 ( 2457 PWs) bands (ev): -1.0508 -1.0508 -1.0294 -1.0294 1.4324 1.4324 1.4742 1.4742 1.4794 1.4794 6.1544 6.1544 10.5300 10.5300 11.6412 11.6412 12.3242 12.3242 12.3617 12.3617 12.3641 12.3641 12.9818 12.9818 13.6275 13.6275 14.2999 14.2999 14.3311 14.3311 15.0020 15.0020 15.6737 15.6737 15.8863 15.8863 15.9206 15.9206 16.2019 16.2019 16.7503 16.7503 17.6660 17.6660 19.2831 19.2831 19.6761 19.6761 20.1166 20.1166 23.4292 23.4292 k = 0.0000 0.3205-0.0000 ( 2457 PWs) bands (ev): -1.0499 -1.0499 -1.0273 -1.0273 1.4340 1.4340 1.4758 1.4758 1.4835 1.4835 6.2257 6.2257 10.4373 10.4373 11.6621 11.6621 12.3302 12.3302 12.3677 12.3677 12.3679 12.3679 13.0306 13.0306 13.6131 13.6131 14.2782 14.2782 14.2861 14.2861 14.9905 14.9905 15.6276 15.6276 15.8394 15.8394 15.8707 15.8707 16.1349 16.1349 16.7338 16.7338 17.6691 17.6691 19.2426 19.2426 19.7852 19.7852 20.2652 20.2652 23.4089 23.4089 k = 0.0000 0.3333-0.0000 ( 2457 PWs) bands (ev): -1.0490 -1.0490 -1.0253 -1.0253 1.4355 1.4355 1.4772 1.4772 1.4875 1.4875 6.2981 6.2981 10.3392 10.3392 11.6881 11.6881 12.3355 12.3355 12.3703 12.3703 12.3739 12.3739 13.0793 13.0793 13.6033 13.6033 14.2289 14.2289 14.2762 14.2762 14.9803 14.9803 15.5831 15.5831 15.7918 15.7918 15.8204 15.8204 16.0671 16.0671 16.7191 16.7191 17.6718 17.6718 19.1943 19.1943 19.9039 19.9039 20.4150 20.4150 23.3891 23.3891 k = 0.0000 0.3462-0.0000 ( 2457 PWs) bands (ev): -1.0481 -1.0481 -1.0233 -1.0233 1.4369 1.4369 1.4786 1.4786 1.4913 1.4913 6.3709 6.3709 10.2377 10.2377 11.7177 11.7177 12.3402 12.3402 12.3721 12.3721 12.3796 12.3796 13.1273 13.1273 13.5978 13.5978 14.1828 14.1828 14.2700 14.2700 14.9716 14.9716 15.5406 15.5406 15.7440 15.7440 15.7701 15.7701 15.9992 15.9992 16.7061 16.7061 17.6743 17.6743 19.1443 19.1443 20.0258 20.0258 20.5658 20.5658 23.3699 23.3699 k = 0.0000 0.3590-0.0000 ( 2453 PWs) bands (ev): -1.0473 -1.0473 -1.0215 -1.0215 1.4382 1.4382 1.4799 1.4799 1.4949 1.4949 6.4438 6.4438 10.1348 10.1348 11.7494 11.7494 12.3442 12.3442 12.3730 12.3730 12.3851 12.3851 13.1742 13.1742 13.5962 13.5962 14.1396 14.1396 14.2674 14.2674 14.9646 14.9646 15.5005 15.5005 15.6962 15.6962 15.7203 15.7203 15.9317 15.9317 16.6946 16.6946 17.6766 17.6766 19.0951 19.0951 20.1479 20.1479 20.7176 20.7176 23.3512 23.3512 k = 0.0000 0.3718-0.0000 ( 2460 PWs) bands (ev): -1.0466 -1.0466 -1.0198 -1.0198 1.4395 1.4395 1.4812 1.4812 1.4983 1.4983 6.5161 6.5161 10.0324 10.0324 11.7820 11.7820 12.3475 12.3475 12.3732 12.3732 12.3903 12.3903 13.2196 13.2196 13.5982 13.5982 14.0989 14.0989 14.2682 14.2682 14.9594 14.9594 15.4632 15.4632 15.6488 15.6488 15.6717 15.6717 15.8655 15.8655 16.6846 16.6846 17.6786 17.6786 19.0481 19.0481 20.2685 20.2685 20.8699 20.8699 23.3327 23.3327 k = 0.0000 0.3846-0.0000 ( 2460 PWs) bands (ev): -1.0459 -1.0459 -1.0183 -1.0183 1.4406 1.4406 1.4823 1.4823 1.5014 1.5014 6.5870 6.5870 9.9322 9.9322 11.8147 11.8147 12.3501 12.3501 12.3729 12.3729 12.3953 12.3953 13.2628 13.2628 13.6036 13.6036 14.0605 14.0605 14.2723 14.2723 14.9561 14.9561 15.4291 15.4291 15.6022 15.6022 15.6246 15.6246 15.8012 15.8012 16.6759 16.6759 17.6805 17.6805 19.0041 19.0041 20.3859 20.3859 21.0227 21.0227 23.3137 23.3137 k = 0.0000 0.3974-0.0000 ( 2452 PWs) bands (ev): -1.0453 -1.0453 -1.0168 -1.0168 1.4417 1.4417 1.4834 1.4834 1.5043 1.5043 6.6556 6.6556 9.8356 9.8356 11.8463 11.8463 12.3521 12.3521 12.3723 12.3723 12.3999 12.3999 13.3035 13.3035 13.6118 13.6118 14.0241 14.0241 14.2791 14.2791 14.9547 14.9547 15.3985 15.3985 15.5566 15.5566 15.5797 15.5797 15.7400 15.7400 16.6683 16.6683 17.6823 17.6823 18.9638 18.9638 20.4988 20.4988 21.1756 21.1756 23.2924 23.2924 k = 0.0000 0.4103-0.0000 ( 2444 PWs) bands (ev): -1.0447 -1.0447 -1.0155 -1.0155 1.4426 1.4426 1.4844 1.4844 1.5068 1.5068 6.7211 6.7211 9.7445 9.7445 11.8762 11.8762 12.3536 12.3536 12.3714 12.3714 12.4042 12.4042 13.3409 13.3409 13.6227 13.6227 13.9896 13.9896 14.2883 14.2883 14.9554 14.9554 15.3718 15.3718 15.5121 15.5121 15.5374 15.5374 15.6828 15.6828 16.6619 16.6619 17.6838 17.6838 18.9274 18.9274 20.6054 20.6054 21.3284 21.3284 23.2632 23.2632 k = 0.0000 0.4231-0.0000 ( 2440 PWs) bands (ev): -1.0442 -1.0442 -1.0144 -1.0144 1.4435 1.4435 1.4852 1.4852 1.5091 1.5091 6.7821 6.7821 9.6603 9.6603 11.9037 11.9037 12.3546 12.3546 12.3705 12.3705 12.4080 12.4080 13.3745 13.3745 13.6356 13.6356 13.9570 13.9570 14.2991 14.2991 14.9581 14.9581 15.3492 15.3492 15.4693 15.4693 15.4984 15.4984 15.6308 15.6308 16.6564 16.6564 17.6852 17.6852 18.8954 18.8954 20.7042 20.7042 21.4808 21.4808 23.2098 23.2098 k = 0.0000 0.4359-0.0000 ( 2440 PWs) bands (ev): -1.0438 -1.0438 -1.0134 -1.0134 1.4442 1.4442 1.4859 1.4859 1.5110 1.5110 6.8373 6.8373 9.5849 9.5849 11.9280 11.9280 12.3553 12.3553 12.3696 12.3696 12.4114 12.4114 13.4039 13.4039 13.6504 13.6504 13.9262 13.9262 14.3108 14.3108 14.9626 14.9626 15.3309 15.3309 15.4285 15.4285 15.4631 15.4631 15.5854 15.5854 16.6520 16.6520 17.6864 17.6864 18.8679 18.8679 20.7932 20.7932 21.6322 21.6322 23.1158 23.1158 k = 0.0000 0.4487-0.0000 ( 2440 PWs) bands (ev): -1.0434 -1.0434 -1.0126 -1.0126 1.4448 1.4448 1.4865 1.4865 1.5126 1.5126 6.8854 6.8854 9.5200 9.5200 11.9487 11.9487 12.3558 12.3558 12.3689 12.3689 12.4142 12.4142 13.4287 13.4287 13.6663 13.6663 13.8976 13.8976 14.3224 14.3224 14.9686 14.9686 15.3169 15.3169 15.3907 15.3907 15.4323 15.4323 15.5473 15.5473 16.6483 16.6483 17.6874 17.6874 18.8452 18.8452 20.8703 20.8703 21.7821 21.7821 22.9954 22.9954 k = 0.0000 0.4615-0.0000 ( 2444 PWs) bands (ev): -1.0432 -1.0432 -1.0120 -1.0120 1.4452 1.4452 1.4870 1.4870 1.5139 1.5139 6.9248 6.9248 9.4672 9.4672 11.9652 11.9652 12.3560 12.3560 12.3683 12.3683 12.4164 12.4164 13.4483 13.4483 13.6826 13.6826 13.8715 13.8715 14.3329 14.3329 14.9753 14.9753 15.3071 15.3071 15.3576 15.3576 15.4066 15.4066 15.5173 15.5173 16.6456 16.6456 17.6882 17.6882 18.8274 18.8274 20.9333 20.9333 21.9290 21.9290 22.8656 22.8656 k = 0.0000 0.4744-0.0000 ( 2424 PWs) bands (ev): -1.0430 -1.0430 -1.0115 -1.0115 1.4456 1.4456 1.4873 1.4873 1.5148 1.5148 6.9542 6.9542 9.4282 9.4282 11.9773 11.9773 12.3561 12.3561 12.3680 12.3680 12.4180 12.4180 13.4625 13.4625 13.6981 13.6981 13.8492 13.8492 14.3414 14.3414 14.9817 14.9817 15.3011 15.3011 15.3313 15.3313 15.3869 15.3869 15.4957 15.4957 16.6437 16.6437 17.6887 17.6887 18.8147 18.8147 20.9802 20.9802 22.0697 22.0697 22.7354 22.7354 k = 0.0000 0.4872-0.0000 ( 2416 PWs) bands (ev): -1.0428 -1.0428 -1.0113 -1.0113 1.4458 1.4458 1.4875 1.4875 1.5153 1.5153 6.9723 6.9723 9.4042 9.4042 11.9846 11.9846 12.3562 12.3562 12.3678 12.3678 12.4190 12.4190 13.4712 13.4712 13.7103 13.7103 13.8330 13.8330 14.3468 14.3468 14.9864 14.9864 15.2982 15.2982 15.3141 15.3141 15.3742 15.3742 15.4827 15.4827 16.6425 16.6425 17.6891 17.6891 18.8069 18.8069 21.0091 21.0091 22.1934 22.1934 22.6176 22.6176 k = 0.0000 0.5000-0.0000 ( 2416 PWs) bands (ev): -1.0428 -1.0428 -1.0112 -1.0112 1.4458 1.4458 1.4876 1.4876 1.5155 1.5155 6.9785 6.9785 9.3961 9.3961 11.9871 11.9871 12.3562 12.3562 12.3677 12.3677 12.4194 12.4194 13.4740 13.4740 13.7151 13.7151 13.8268 13.8268 14.3487 14.3487 14.9882 14.9882 15.2974 15.2974 15.3081 15.3081 15.3699 15.3699 15.4784 15.4784 16.6421 16.6421 17.6892 17.6892 18.8044 18.8044 21.0189 21.0189 22.2549 22.2549 22.5579 22.5579 k = 0.0000 0.5000-0.0000 ( 2416 PWs) bands (ev): -1.0428 -1.0428 -1.0112 -1.0112 1.4458 1.4458 1.4876 1.4876 1.5155 1.5155 6.9785 6.9785 9.3961 9.3961 11.9871 11.9871 12.3562 12.3562 12.3677 12.3677 12.4194 12.4194 13.4740 13.4740 13.7151 13.7151 13.8268 13.8268 14.3487 14.3487 14.9882 14.9882 15.2974 15.2974 15.3081 15.3081 15.3699 15.3699 15.4784 15.4784 16.6421 16.6421 17.6892 17.6892 18.8044 18.8044 21.0189 21.0189 22.2549 22.2549 22.5579 22.5579 k = 0.0128 0.5000-0.0000 ( 2416 PWs) bands (ev): -1.0428 -1.0428 -1.0112 -1.0112 1.4459 1.4459 1.4876 1.4876 1.5155 1.5155 6.9794 6.9794 9.3979 9.3979 11.9882 11.9882 12.3558 12.3558 12.3664 12.3664 12.4194 12.4194 13.4728 13.4728 13.7118 13.7118 13.8292 13.8292 14.3475 14.3475 14.9869 14.9869 15.2906 15.2906 15.3059 15.3059 15.3802 15.3802 15.4820 15.4820 16.6415 16.6415 17.6854 17.6854 18.8019 18.8019 21.0219 21.0219 22.2506 22.2506 22.5448 22.5448 k = 0.0256 0.5000-0.0000 ( 2438 PWs) bands (ev): -1.0426 -1.0426 -1.0112 -1.0112 1.4462 1.4462 1.4874 1.4874 1.5156 1.5156 6.9823 6.9823 9.4033 9.4033 11.9916 11.9916 12.3539 12.3539 12.3628 12.3628 12.4195 12.4195 13.4690 13.4690 13.7026 13.7026 13.8355 13.8355 14.3438 14.3438 14.9834 14.9834 15.2688 15.2688 15.3113 15.3113 15.3993 15.3993 15.4935 15.4935 16.6396 16.6396 17.6743 17.6743 18.7945 18.7945 21.0306 21.0306 22.2348 22.2348 22.5075 22.5075 k = 0.0385 0.5000-0.0000 ( 2438 PWs) bands (ev): -1.0424 -1.0424 -1.0112 -1.0112 1.4467 1.4467 1.4872 1.4872 1.5158 1.5158 6.9871 6.9871 9.4122 9.4122 11.9973 11.9973 12.3479 12.3479 12.3592 12.3592 12.4203 12.4203 13.4627 13.4627 13.6890 13.6890 13.8444 13.8444 14.3377 14.3377 14.9780 14.9780 15.2436 15.2436 15.3219 15.3219 15.4167 15.4167 15.5138 15.5138 16.6365 16.6365 17.6559 17.6559 18.7824 18.7824 21.0449 21.0449 22.1968 22.1968 22.4564 22.4564 k = 0.0513 0.5000-0.0000 ( 2442 PWs) bands (ev): -1.0422 -1.0422 -1.0113 -1.0113 1.4474 1.4474 1.4869 1.4869 1.5160 1.5160 6.9939 6.9939 9.4246 9.4246 12.0052 12.0052 12.3364 12.3364 12.3564 12.3564 12.4224 12.4224 13.4539 13.4539 13.6726 13.6726 13.8544 13.8544 14.3295 14.3295 14.9713 14.9713 15.2187 15.2187 15.3360 15.3360 15.4302 15.4302 15.5420 15.5420 16.6323 16.6323 17.6307 17.6307 18.7659 18.7659 21.0644 21.0644 22.1200 22.1200 22.4131 22.4131 k = 0.0641 0.5000-0.0000 ( 2448 PWs) bands (ev): -1.0418 -1.0418 -1.0114 -1.0114 1.4483 1.4483 1.4865 1.4865 1.5163 1.5163 7.0025 7.0025 9.4405 9.4405 12.0152 12.0152 12.3203 12.3203 12.3534 12.3534 12.4260 12.4260 13.4425 13.4425 13.6542 13.6542 13.8649 13.8649 14.3193 14.3193 14.9637 14.9637 15.1951 15.1951 15.3526 15.3526 15.4409 15.4409 15.5755 15.5755 16.6269 16.6269 17.5989 17.5989 18.7455 18.7455 21.0888 21.0888 22.0006 22.0006 22.3896 22.3896 k = 0.0769 0.5000-0.0000 ( 2448 PWs) bands (ev): -1.0414 -1.0414 -1.0114 -1.0114 1.4493 1.4493 1.4859 1.4859 1.5167 1.5167 7.0130 7.0130 9.4599 9.4599 12.0272 12.0272 12.3002 12.3002 12.3494 12.3494 12.4315 12.4315 13.4288 13.4288 13.6345 13.6345 13.8754 13.8754 14.3074 14.3074 14.9559 14.9559 15.1733 15.1733 15.3711 15.3711 15.4502 15.4502 15.6121 15.6121 16.6204 16.6204 17.5613 17.5613 18.7218 18.7218 21.1171 21.1171 21.8522 21.8522 22.3814 22.3814 k = 0.0897 0.5000-0.0000 ( 2456 PWs) bands (ev): -1.0409 -1.0409 -1.0115 -1.0115 1.4506 1.4506 1.4853 1.4853 1.5171 1.5171 7.0254 7.0254 9.4827 9.4827 12.0410 12.0410 12.2763 12.2763 12.3443 12.3443 12.4388 12.4388 13.4128 13.4128 13.6137 13.6137 13.8856 13.8856 14.2942 14.2942 14.9480 14.9480 15.1535 15.1535 15.3909 15.3909 15.4588 15.4588 15.6502 15.6502 16.6130 16.6130 17.5183 17.5183 18.6953 18.6953 21.1481 21.1481 21.6884 21.6884 22.3822 22.3822 k = 0.1026 0.5000-0.0000 ( 2456 PWs) bands (ev): -1.0403 -1.0403 -1.0116 -1.0116 1.4519 1.4519 1.4846 1.4846 1.5177 1.5177 7.0396 7.0396 9.5088 9.5088 12.0563 12.0563 12.2494 12.2494 12.3381 12.3381 12.4479 12.4479 13.3946 13.3946 13.5922 13.5922 13.8955 13.8955 14.2799 14.2799 14.9404 14.9404 15.1358 15.1358 15.4113 15.4113 15.4669 15.4669 15.6886 15.6886 16.6046 16.6046 17.4705 17.4705 18.6668 18.6668 21.1778 21.1778 21.5203 21.5203 22.3888 22.3888 k = 0.1154 0.5000-0.0000 ( 2452 PWs) bands (ev): -1.0397 -1.0397 -1.0118 -1.0118 1.4534 1.4534 1.4839 1.4839 1.5183 1.5183 7.0557 7.0557 9.5381 9.5381 12.0720 12.0720 12.2203 12.2203 12.3308 12.3308 12.4587 12.4587 13.3744 13.3744 13.5701 13.5701 13.9049 13.9049 14.2650 14.2650 14.9331 14.9331 15.1202 15.1202 15.4319 15.4319 15.4747 15.4747 15.7266 15.7266 16.5954 16.5954 17.4186 17.4186 18.6369 18.6369 21.1863 21.1863 21.3719 21.3719 22.4001 22.4001 k = 0.1282 0.5000-0.0000 ( 2456 PWs) bands (ev): -1.0390 -1.0390 -1.0119 -1.0119 1.4550 1.4550 1.4830 1.4830 1.5191 1.5191 7.0735 7.0735 9.5707 9.5707 12.0855 12.0855 12.1918 12.1918 12.3227 12.3227 12.4710 12.4710 13.3526 13.3526 13.5474 13.5474 13.9139 13.9139 14.2497 14.2497 14.9263 14.9263 15.1068 15.1068 15.4522 15.4522 15.4819 15.4819 15.7635 15.7635 16.5855 16.5855 17.3631 17.3631 18.6063 18.6063 21.0943 21.0943 21.3251 21.3251 22.4154 22.4154 k = 0.1410 0.5000-0.0000 ( 2460 PWs) bands (ev): -1.0382 -1.0382 -1.0120 -1.0120 1.4568 1.4568 1.4820 1.4820 1.5199 1.5199 7.0931 7.0931 9.6063 9.6063 12.0883 12.0883 12.1726 12.1726 12.3138 12.3138 12.4849 12.4849 13.3294 13.3294 13.5242 13.5242 13.9225 13.9225 14.2344 14.2344 14.9200 14.9200 15.0953 15.0953 15.4717 15.4717 15.4884 15.4884 15.7987 15.7987 16.5750 16.5750 17.3048 17.3048 18.5758 18.5758 20.9306 20.9306 21.3527 21.3527 22.4348 22.4348 k = 0.1538 0.5000-0.0000 ( 2460 PWs) bands (ev): -1.0374 -1.0374 -1.0122 -1.0122 1.4586 1.4586 1.4810 1.4810 1.5209 1.5209 7.1143 7.1143 9.6448 9.6448 12.0684 12.0684 12.1744 12.1744 12.3045 12.3045 12.5001 12.5001 13.3052 13.3052 13.5005 13.5005 13.9307 13.9307 14.2193 14.2193 14.9143 14.9143 15.0858 15.0858 15.4891 15.4891 15.4952 15.4952 15.8316 15.8316 16.5638 16.5638 17.2442 17.2442 18.5460 18.5460 20.7555 20.7555 21.3951 21.3951 22.4582 22.4582 k = 0.1667 0.5000-0.0000 ( 2468 PWs) bands (ev): -1.0366 -1.0366 -1.0124 -1.0124 1.4604 1.4604 1.4799 1.4799 1.5220 1.5220 7.1372 7.1372 9.6862 9.6862 12.0316 12.0316 12.1911 12.1911 12.2953 12.2953 12.5166 12.5166 13.2802 13.2802 13.4762 13.4762 13.9384 13.9384 14.2047 14.2047 14.9092 14.9092 15.0780 15.0780 15.4964 15.4964 15.5096 15.5096 15.8616 15.8616 16.5521 16.5521 17.1819 17.1819 18.5175 18.5175 20.5802 20.5802 21.4422 21.4422 22.4861 22.4861 k = 0.1795 0.5000-0.0000 ( 2460 PWs) bands (ev): -1.0357 -1.0357 -1.0125 -1.0125 1.4623 1.4623 1.4787 1.4787 1.5232 1.5232 7.1616 7.1616 9.7303 9.7303 11.9871 11.9871 12.2122 12.2122 12.2877 12.2877 12.5343 12.5343 13.2549 13.2549 13.4516 13.4516 13.9456 13.9456 14.1909 14.1909 14.9047 14.9047 15.0718 15.0718 15.4989 15.4989 15.5257 15.5257 15.8884 15.8884 16.5398 16.5398 17.1183 17.1183 18.4909 18.4909 20.4077 20.4077 21.4911 21.4911 22.5185 22.5185 k = 0.1923 0.5000-0.0000 ( 2464 PWs) bands (ev): -1.0348 -1.0348 -1.0127 -1.0127 1.4642 1.4642 1.4775 1.4775 1.5246 1.5246 7.1876 7.1876 9.7769 9.7769 11.9383 11.9383 12.2299 12.2299 12.2863 12.2863 12.5530 12.5530 13.2293 13.2293 13.4265 13.4265 13.9523 13.9523 14.1778 14.1778 14.9010 14.9010 15.0669 15.0669 15.4992 15.4992 15.5406 15.5406 15.9115 15.9115 16.5270 16.5270 17.0541 17.0541 18.4668 18.4668 20.2398 20.2398 21.5408 21.5408 22.5557 22.5557 k = 0.2051 0.5000-0.0000 ( 2460 PWs) bands (ev): -1.0339 -1.0339 -1.0129 -1.0129 1.4661 1.4661 1.4763 1.4763 1.5260 1.5260 7.2149 7.2149 9.8259 9.8259 11.8864 11.8864 12.2345 12.2345 12.2999 12.2999 12.5729 12.5729 13.2040 13.2040 13.4012 13.4012 13.9584 13.9584 14.1658 14.1658 14.8980 14.8980 15.0631 15.0631 15.4972 15.4972 15.5541 15.5541 15.9305 15.9305 16.5135 16.5135 16.9897 16.9897 18.4455 18.4455 20.0775 20.0775 21.5904 21.5904 22.5980 22.5980 k = 0.2179 0.5000-0.0000 ( 2464 PWs) bands (ev): -1.0329 -1.0329 -1.0131 -1.0131 1.4680 1.4680 1.4751 1.4751 1.5275 1.5275 7.2436 7.2436 9.8770 9.8770 11.8320 11.8320 12.2280 12.2280 12.3260 12.3260 12.5936 12.5936 13.1790 13.1790 13.3756 13.3756 13.9640 13.9640 14.1549 14.1549 14.8958 14.8958 15.0603 15.0603 15.4925 15.4925 15.5660 15.5660 15.9451 15.9451 16.4991 16.4991 16.9256 16.9256 18.4275 18.4275 19.9216 19.9216 21.6395 21.6395 22.6455 22.6455 k = 0.2308 0.5000-0.0000 ( 2456 PWs) bands (ev): -1.0319 -1.0319 -1.0133 -1.0133 1.4696 1.4696 1.4740 1.4740 1.5292 1.5292 7.2735 7.2735 9.9301 9.9301 11.7757 11.7757 12.2172 12.2172 12.3575 12.3575 12.6152 12.6152 13.1548 13.1548 13.3500 13.3500 13.9688 13.9688 14.1451 14.1451 14.8944 14.8944 15.0581 15.0581 15.4849 15.4849 15.5766 15.5766 15.9552 15.9552 16.4835 16.4835 16.8624 16.8624 18.4129 18.4129 19.7732 19.7732 21.6876 21.6876 22.6981 22.6981 k = 0.2436 0.5000-0.0000 ( 2458 PWs) bands (ev): -1.0310 -1.0310 -1.0135 -1.0135 1.4704 1.4704 1.4737 1.4737 1.5310 1.5310 7.3044 7.3044 9.9849 9.9849 11.7177 11.7177 12.2047 12.2047 12.3918 12.3918 12.6376 12.6376 13.1315 13.1315 13.3245 13.3245 13.9729 13.9729 14.1364 14.1364 14.8937 14.8937 15.0565 15.0565 15.4743 15.4743 15.5856 15.5856 15.9607 15.9607 16.4665 16.4665 16.8006 16.8006 18.4018 18.4018 19.6327 19.6327 21.7345 21.7345 22.7559 22.7559 k = 0.2564 0.5000-0.0000 ( 2458 PWs) bands (ev): -1.0300 -1.0300 -1.0137 -1.0137 1.4699 1.4699 1.4746 1.4746 1.5328 1.5328 7.3364 7.3364 10.0411 10.0411 11.6585 11.6585 12.1916 12.1916 12.4276 12.4276 12.6605 12.6605 13.1093 13.1093 13.2993 13.2993 13.9762 13.9762 14.1290 14.1290 14.8937 14.8937 15.0552 15.0552 15.4605 15.4605 15.5933 15.5933 15.9617 15.9617 16.4474 16.4474 16.7408 16.7408 18.3944 18.3944 19.5008 19.5008 21.7801 21.7801 22.8184 22.8184 k = 0.2692 0.5000-0.0000 ( 2452 PWs) bands (ev): -1.0290 -1.0290 -1.0139 -1.0139 1.4688 1.4688 1.4761 1.4761 1.5347 1.5347 7.3691 7.3691 10.0984 10.0984 11.5985 11.5985 12.1780 12.1780 12.4645 12.4645 12.6839 12.6839 13.0885 13.0885 13.2745 13.2745 13.9787 13.9787 14.1227 14.1227 14.8944 14.8944 15.0541 15.0541 15.4436 15.4436 15.5997 15.5997 15.9583 15.9583 16.4257 16.4257 16.6838 16.6838 18.3906 18.3906 19.3780 19.3780 21.8243 21.8243 22.8854 22.8854 k = 0.2821 0.5000-0.0000 ( 2460 PWs) bands (ev): -1.0281 -1.0281 -1.0142 -1.0142 1.4676 1.4676 1.4776 1.4776 1.5367 1.5367 7.4024 7.4024 10.1565 10.1565 11.5379 11.5379 12.1644 12.1644 12.5021 12.5021 12.7076 12.7076 13.0692 13.0692 13.2502 13.2502 13.9802 13.9802 14.1175 14.1175 14.8955 14.8955 15.0530 15.0530 15.4235 15.4235 15.6047 15.6047 15.9508 15.9508 16.4007 16.4007 16.6306 16.6306 18.3900 18.3900 19.2647 19.2647 21.8672 21.8672 22.9563 22.9563 k = 0.2949 0.5000-0.0000 ( 2462 PWs) bands (ev): -1.0271 -1.0271 -1.0144 -1.0144 1.4663 1.4663 1.4791 1.4791 1.5387 1.5387 7.4363 7.4363 10.2151 10.2151 11.4773 11.4773 12.1509 12.1509 12.5401 12.5401 12.7315 12.7315 13.0517 13.0517 13.2268 13.2268 13.9809 13.9809 14.1132 14.1132 14.8970 14.8970 15.0518 15.0518 15.4004 15.4004 15.6085 15.6085 15.9396 15.9396 16.3715 16.3715 16.5822 16.5822 18.3926 18.3926 19.1610 19.1610 21.9089 21.9089 23.0304 23.0304 k = 0.3077 0.5000-0.0000 ( 2460 PWs) bands (ev): -1.0262 -1.0262 -1.0146 -1.0146 1.4651 1.4651 1.4805 1.4805 1.5407 1.5407 7.4703 7.4703 10.2737 10.2737 11.4171 11.4171 12.1376 12.1376 12.5781 12.5781 12.7553 12.7553 13.0363 13.0363 13.2042 13.2042 13.9807 13.9807 14.1096 14.1096 14.8986 14.8986 15.0505 15.0505 15.3746 15.3746 15.6110 15.6110 15.9254 15.9254 16.3375 16.3375 16.5395 16.5395 18.3979 18.3979 19.0671 19.0671 21.9494 21.9494 23.1069 23.1069 k = 0.3205 0.5000-0.0000 ( 2464 PWs) bands (ev): -1.0253 -1.0253 -1.0148 -1.0148 1.4638 1.4638 1.4819 1.4819 1.5427 1.5427 7.5044 7.5044 10.3319 10.3319 11.3576 11.3576 12.1246 12.1246 12.6157 12.6157 12.7788 12.7788 13.0232 13.0232 13.1828 13.1828 13.9797 13.9797 14.1066 14.1066 14.9002 14.9002 15.0488 15.0488 15.3464 15.3464 15.6122 15.6122 15.9087 15.9087 16.2990 16.2990 16.5026 16.5026 18.4056 18.4056 18.9829 18.9829 21.9889 21.9889 23.1849 23.1849 k = 0.3333 0.5000-0.0000 ( 2448 PWs) bands (ev): -1.0245 -1.0245 -1.0150 -1.0150 1.4627 1.4627 1.4831 1.4831 1.5447 1.5447 7.5382 7.5382 10.3893 10.3893 11.2993 11.2993 12.1121 12.1121 12.6527 12.6527 12.8017 12.8017 13.0127 13.0127 13.1626 13.1626 13.9779 13.9779 14.1040 14.1040 14.9016 14.9016 15.0468 15.0468 15.3164 15.3164 15.6121 15.6121 15.8904 15.8904 16.2569 16.2569 16.4713 16.4713 18.4152 18.4152 18.9081 18.9081 22.0275 22.0275 23.2634 23.2634 k = 0.3462 0.5000-0.0000 ( 2460 PWs) bands (ev): -1.0237 -1.0237 -1.0151 -1.0151 1.4615 1.4615 1.4843 1.4843 1.5467 1.5467 7.5714 7.5714 10.4453 10.4453 11.2427 11.2427 12.1001 12.1001 12.6884 12.6884 12.8236 12.8236 13.0051 13.0051 13.1439 13.1439 13.9754 13.9754 14.1015 14.1015 14.9024 14.9024 15.0444 15.0444 15.2849 15.2849 15.6108 15.6108 15.8712 15.8712 16.2126 16.2126 16.4444 16.4444 18.4263 18.4263 18.8423 18.8423 22.0651 22.0651 23.3413 23.3413 k = 0.3590 0.5000-0.0000 ( 2458 PWs) bands (ev): -1.0229 -1.0229 -1.0153 -1.0153 1.4605 1.4605 1.4853 1.4853 1.5486 1.5486 7.6039 7.6039 10.4995 10.4995 11.1883 11.1883 12.0887 12.0887 12.7225 12.7225 12.8440 12.8440 13.0010 13.0010 13.1267 13.1267 13.9722 13.9722 14.0990 14.0990 14.9025 14.9025 15.0417 15.0417 15.2528 15.2528 15.6082 15.6082 15.8519 15.8519 16.1678 16.1678 16.4211 16.4211 18.4383 18.4383 18.7852 18.7852 22.1018 22.1018 23.4172 23.4172 k = 0.3718 0.5000-0.0000 ( 2462 PWs) bands (ev): -1.0223 -1.0223 -1.0155 -1.0155 1.4595 1.4595 1.4863 1.4863 1.5504 1.5504 7.6352 7.6352 10.5511 10.5511 11.1367 11.1367 12.0781 12.0781 12.7544 12.7544 12.8622 12.8622 13.0009 13.0009 13.1112 13.1112 13.9683 13.9683 14.0963 14.0963 14.9017 14.9017 15.0384 15.0384 15.2209 15.2209 15.6043 15.6043 15.8332 15.8332 16.1238 16.1238 16.4007 16.4007 18.4509 18.4509 18.7359 18.7359 22.1374 22.1374 23.4900 23.4900 k = 0.3846 0.5000-0.0000 ( 2458 PWs) bands (ev): -1.0216 -1.0216 -1.0156 -1.0156 1.4585 1.4585 1.4872 1.4872 1.5521 1.5521 7.6651 7.6651 10.5996 10.5996 11.0884 11.0884 12.0682 12.0682 12.7833 12.7833 12.8782 12.8782 13.0050 13.0050 13.0977 13.0977 13.9636 13.9636 14.0934 14.0934 14.8996 14.8996 15.0347 15.0347 15.1900 15.1900 15.5994 15.5994 15.8156 15.8156 16.0818 16.0818 16.3826 16.3826 18.4634 18.4634 18.6941 18.6941 22.1717 22.1717 23.5582 23.5582 k = 0.3974 0.5000-0.0000 ( 2458 PWs) bands (ev): -1.0211 -1.0211 -1.0157 -1.0157 1.4577 1.4577 1.4879 1.4879 1.5537 1.5537 7.6931 7.6931 10.6443 10.6443 11.0441 11.0441 12.0592 12.0592 12.8084 12.8084 12.8920 12.8920 13.0131 13.0131 13.0862 13.0862 13.9582 13.9582 14.0903 14.0903 14.8964 14.8964 15.0305 15.0305 15.1610 15.1610 15.5935 15.5935 15.7995 15.7995 16.0427 16.0427 16.3665 16.3665 18.4756 18.4756 18.6591 18.6591 22.2044 22.2044 23.6206 23.6206 k = 0.4103 0.5000-0.0000 ( 2452 PWs) bands (ev): -1.0206 -1.0206 -1.0158 -1.0158 1.4570 1.4570 1.4886 1.4886 1.5551 1.5551 7.7189 7.7189 10.6844 10.6844 11.0045 11.0045 12.0512 12.0512 12.8290 12.8290 12.9045 12.9045 13.0241 13.0241 13.0771 13.0771 13.9521 13.9521 14.0870 14.0870 14.8919 14.8919 15.0256 15.0256 15.1352 15.1352 15.5871 15.5871 15.7852 15.7852 16.0074 16.0074 16.3524 16.3524 18.4868 18.4868 18.6302 18.6302 22.2351 22.2351 23.6759 23.6759 k = 0.4231 0.5000-0.0000 ( 2452 PWs) bands (ev): -1.0202 -1.0202 -1.0158 -1.0158 1.4563 1.4563 1.4892 1.4892 1.5564 1.5564 7.7422 7.7422 10.7190 10.7190 10.9704 10.9704 12.0441 12.0441 12.8443 12.8443 12.9167 12.9167 13.0357 13.0357 13.0713 13.0713 13.9454 13.9454 14.0838 14.0838 14.8864 14.8864 15.0200 15.0200 15.1131 15.1131 15.5804 15.5804 15.7727 15.7727 15.9763 15.9763 16.3401 16.3401 18.4967 18.4967 18.6071 18.6071 22.2633 22.2633 23.7234 23.7234 k = 0.4359 0.5000-0.0000 ( 2452 PWs) bands (ev): -1.0198 -1.0198 -1.0159 -1.0159 1.4557 1.4557 1.4897 1.4897 1.5575 1.5575 7.7626 7.7626 10.7470 10.7470 10.9428 10.9428 12.0380 12.0380 12.8548 12.8548 12.9288 12.9288 13.0440 13.0440 13.0712 13.0712 13.9384 13.9384 14.0807 14.0807 14.8803 14.8803 15.0137 15.0137 15.0955 15.0955 15.5739 15.5739 15.7621 15.7621 15.9499 15.9499 16.3296 16.3296 18.5046 18.5046 18.5895 18.5895 22.2886 22.2886 23.7625 23.7625 k = 0.4487 0.5000-0.0000 ( 2456 PWs) bands (ev): -1.0196 -1.0196 -1.0159 -1.0159 1.4553 1.4553 1.4901 1.4901 1.5584 1.5584 7.7798 7.7798 10.7673 10.7673 10.9229 10.9229 12.0330 12.0330 12.8615 12.8615 12.9404 12.9404 13.0458 13.0458 13.0785 13.0785 13.9314 13.9314 14.0780 14.0780 14.8740 14.8740 15.0071 15.0071 15.0824 15.0824 15.5680 15.5680 15.7533 15.7533 15.9283 15.9283 16.3210 16.3210 18.5103 18.5103 18.5769 18.5769 22.3103 22.3103 23.7931 23.7931 k = 0.4615 0.5000-0.0000 ( 2464 PWs) bands (ev): -1.0194 -1.0194 -1.0159 -1.0159 1.4549 1.4549 1.4904 1.4904 1.5591 1.5591 7.7936 7.7936 10.7794 10.7794 10.9111 10.9111 12.0291 12.0291 12.8655 12.8655 12.9504 12.9504 13.0446 13.0446 13.0884 13.0884 13.9250 13.9250 14.0758 14.0758 14.8683 14.8683 15.0010 15.0010 15.0731 15.0731 15.5631 15.5631 15.7464 15.7464 15.9117 15.9117 16.3142 16.3142 18.5133 18.5133 18.5691 18.5691 22.3279 22.3279 23.8158 23.8158 k = 0.4744 0.5000-0.0000 ( 2464 PWs) bands (ev): -1.0192 -1.0192 -1.0159 -1.0159 1.4546 1.4546 1.4906 1.4906 1.5596 1.5596 7.8035 7.8035 10.7847 10.7847 10.9061 10.9061 12.0263 12.0263 12.8678 12.8678 12.9581 12.9581 13.0431 13.0431 13.0969 13.0969 13.9198 13.9198 14.0742 14.0742 14.8636 14.8636 14.9961 14.9961 15.0671 15.0671 15.5593 15.5593 15.7414 15.7414 15.8999 15.8999 16.3094 16.3094 18.5143 18.5143 18.5651 18.5651 22.3409 22.3409 23.8312 23.8312 k = 0.4872 0.5000-0.0000 ( 2464 PWs) bands (ev): -1.0192 -1.0192 -1.0159 -1.0159 1.4545 1.4545 1.4907 1.4907 1.5600 1.5600 7.8096 7.8096 10.7860 10.7860 10.9049 10.9049 12.0246 12.0246 12.8690 12.8690 12.9629 12.9629 13.0421 13.0421 13.1026 13.1026 13.9164 13.9164 14.0732 14.0732 14.8606 14.8606 14.9929 14.9929 15.0638 15.0638 15.5570 15.5570 15.7383 15.7383 15.8929 15.8929 16.3064 16.3064 18.5142 18.5142 18.5635 18.5635 22.3489 22.3489 23.8401 23.8401 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -1.0191 -1.0191 -1.0159 -1.0159 1.4544 1.4544 1.4908 1.4908 1.5601 1.5601 7.8116 7.8116 10.7861 10.7861 10.9049 10.9049 12.0240 12.0240 12.8693 12.8693 12.9645 12.9645 13.0417 13.0417 13.1045 13.1045 13.9152 13.9152 14.0728 14.0728 14.8595 14.8595 14.9918 14.9918 15.0627 15.0627 15.5562 15.5562 15.7373 15.7373 15.8906 15.8906 16.3054 16.3054 18.5140 18.5140 18.5631 18.5631 22.3516 22.3516 23.8429 23.8429 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -1.0191 -1.0191 -1.0159 -1.0159 1.4544 1.4544 1.4908 1.4908 1.5601 1.5601 7.8116 7.8116 10.7861 10.7861 10.9049 10.9049 12.0240 12.0240 12.8693 12.8693 12.9645 12.9645 13.0417 13.0417 13.1045 13.1045 13.9152 13.9152 14.0728 14.0728 14.8595 14.8595 14.9918 14.9918 15.0627 15.0627 15.5562 15.5562 15.7373 15.7373 15.8906 15.8906 16.3054 16.3054 18.5140 18.5140 18.5631 18.5631 22.3516 22.3516 23.8429 23.8429 k = 0.4909 0.4909-0.0000 ( 2464 PWs) bands (ev): -1.0192 -1.0192 -1.0159 -1.0159 1.4545 1.4545 1.4907 1.4907 1.5600 1.5600 7.8096 7.8096 10.7861 10.7861 10.9048 10.9048 12.0246 12.0246 12.8690 12.8690 12.9629 12.9629 13.0421 13.0421 13.1025 13.1025 13.9163 13.9163 14.0732 14.0732 14.8606 14.8606 14.9930 14.9930 15.0638 15.0638 15.5570 15.5570 15.7384 15.7384 15.8929 15.8929 16.3064 16.3064 18.5142 18.5142 18.5635 18.5635 22.3489 22.3489 23.8400 23.8400 k = 0.4818 0.4818-0.0000 ( 2464 PWs) bands (ev): -1.0192 -1.0192 -1.0159 -1.0159 1.4546 1.4546 1.4906 1.4906 1.5596 1.5596 7.8034 7.8034 10.7857 10.7857 10.9051 10.9051 12.0263 12.0263 12.8678 12.8678 12.9581 12.9581 13.0429 13.0429 13.0969 13.0969 13.9187 13.9187 14.0754 14.0754 14.8636 14.8636 14.9963 14.9963 15.0671 15.0671 15.5592 15.5592 15.7416 15.7416 15.8998 15.8998 16.3094 16.3094 18.5148 18.5148 18.5646 18.5646 22.3410 22.3410 23.8309 23.8309 k = 0.4727 0.4727-0.0000 ( 2462 PWs) bands (ev): -1.0194 -1.0194 -1.0159 -1.0159 1.4549 1.4549 1.4904 1.4904 1.5591 1.5591 7.7931 7.7931 10.7845 10.7845 10.9066 10.9066 12.0291 12.0291 12.8657 12.8657 12.9507 12.9507 13.0438 13.0438 13.0882 13.0882 13.9196 13.9196 14.0816 14.0816 14.8682 14.8682 15.0021 15.0021 15.0727 15.0727 15.5625 15.5625 15.7471 15.7471 15.9111 15.9111 16.3143 16.3143 18.5158 18.5158 18.5667 18.5667 22.3286 22.3286 23.8144 23.8144 k = 0.4636 0.4636-0.0000 ( 2458 PWs) bands (ev): -1.0196 -1.0196 -1.0159 -1.0159 1.4552 1.4552 1.4901 1.4901 1.5584 1.5584 7.7787 7.7787 10.7814 10.7814 10.9105 10.9105 12.0329 12.0329 12.8623 12.8623 12.9411 12.9411 13.0438 13.0438 13.0780 13.0780 13.9156 13.9156 14.0950 14.0950 14.8737 14.8737 15.0104 15.0104 15.0809 15.0809 15.5664 15.5664 15.7554 15.7554 15.9265 15.9265 16.3211 16.3211 18.5173 18.5173 18.5699 18.5699 22.3126 22.3126 23.7889 23.7889 k = 0.4545 0.4545-0.0000 ( 2458 PWs) bands (ev): -1.0198 -1.0198 -1.0159 -1.0159 1.4557 1.4557 1.4897 1.4897 1.5574 1.5574 7.7599 7.7599 10.7760 10.7760 10.9179 10.9179 12.0377 12.0377 12.8571 12.8571 12.9300 12.9300 13.0408 13.0408 13.0689 13.0689 13.9044 13.9044 14.1171 14.1171 14.8796 14.8796 15.0216 15.0216 15.0918 15.0918 15.5702 15.5702 15.7667 15.7667 15.9456 15.9456 16.3298 16.3298 18.5192 18.5192 18.5747 18.5747 22.2941 22.2941 23.7526 23.7526 k = 0.4455 0.4455-0.0000 ( 2450 PWs) bands (ev): -1.0202 -1.0202 -1.0159 -1.0159 1.4562 1.4562 1.4892 1.4892 1.5562 1.5562 7.7369 7.7369 10.7681 10.7681 10.9295 10.9295 12.0434 12.0434 12.8491 12.8491 12.9183 12.9183 13.0320 13.0320 13.0647 13.0647 13.8861 13.8861 14.1475 14.1475 14.8853 14.8853 15.0355 15.0355 15.1054 15.1054 15.5733 15.5733 15.7811 15.7811 15.9679 15.9679 16.3406 16.3406 18.5215 18.5215 18.5817 18.5817 22.2744 22.2744 23.7039 23.7039 k = 0.4364 0.4364-0.0000 ( 2442 PWs) bands (ev): -1.0206 -1.0206 -1.0159 -1.0159 1.4568 1.4568 1.4887 1.4887 1.5549 1.5549 7.7096 7.7096 10.7583 10.7583 10.9453 10.9453 12.0499 12.0499 12.8373 12.8373 12.9069 12.9069 13.0188 13.0188 13.0652 13.0652 13.8618 13.8618 14.1845 14.1845 14.8906 14.8906 15.0521 15.0521 15.1220 15.1220 15.5755 15.5755 15.7987 15.7987 15.9927 15.9927 16.3533 16.3533 18.5241 18.5241 18.5918 18.5918 22.2546 22.2546 23.6418 23.6418 k = 0.4273 0.4273-0.0000 ( 2444 PWs) bands (ev): -1.0211 -1.0211 -1.0159 -1.0159 1.4574 1.4574 1.4881 1.4881 1.5533 1.5533 7.6779 7.6779 10.7474 10.7474 10.9651 10.9651 12.0569 12.0569 12.8208 12.8208 12.8965 12.8965 13.0041 13.0041 13.0684 13.0684 13.8327 13.8327 14.2264 14.2264 14.8955 14.8955 15.0710 15.0710 15.1414 15.1414 15.5765 15.5765 15.8192 15.8192 16.0194 16.0194 16.3681 16.3681 18.5266 18.5266 18.6059 18.6059 22.2357 22.2357 23.5661 23.5661 k = 0.4182 0.4182-0.0000 ( 2448 PWs) bands (ev): -1.0216 -1.0216 -1.0159 -1.0159 1.4580 1.4580 1.4875 1.4875 1.5515 1.5515 7.6418 7.6418 10.7366 10.7366 10.9885 10.9885 12.0644 12.0644 12.7994 12.7994 12.8873 12.8873 12.9893 12.9893 13.0738 13.0738 13.7999 13.7999 14.2716 14.2716 14.9002 14.9002 15.0916 15.0916 15.1637 15.1637 15.5764 15.5764 15.8420 15.8420 16.0474 16.0474 16.3853 16.3853 18.5288 18.5288 18.6248 18.6248 22.2185 22.2185 23.4774 23.4774 k = 0.4091 0.4091-0.0000 ( 2456 PWs) bands (ev): -1.0223 -1.0223 -1.0159 -1.0159 1.4587 1.4587 1.4867 1.4867 1.5496 1.5496 7.6014 7.6014 10.7265 10.7265 11.0151 11.0151 12.0722 12.0722 12.7735 12.7735 12.8792 12.8792 12.9749 12.9749 13.0814 13.0814 13.7642 13.7642 14.3186 14.3186 14.9052 14.9052 15.1132 15.1132 15.1886 15.1886 15.5755 15.5755 15.8665 15.8665 16.0761 16.0761 16.4050 16.4050 18.5307 18.5307 18.6494 18.6494 22.2036 22.2036 23.3771 23.3771 k = 0.4000 0.4000-0.0000 ( 2452 PWs) bands (ev): -1.0230 -1.0230 -1.0160 -1.0160 1.4593 1.4593 1.4860 1.4860 1.5474 1.5474 7.5566 7.5566 10.7182 10.7182 11.0445 11.0445 12.0801 12.0801 12.7436 12.7436 12.8720 12.8720 12.9613 12.9613 13.0915 13.0915 13.7265 13.7265 14.3661 14.3661 14.9112 14.9112 15.1354 15.1354 15.2160 15.2160 15.5739 15.5739 15.8921 15.8921 16.1046 16.1046 16.4275 16.4275 18.5321 18.5321 18.6805 18.6805 22.1912 22.1912 23.2671 23.2671 k = 0.3909 0.3909-0.0000 ( 2450 PWs) bands (ev): -1.0238 -1.0238 -1.0160 -1.0160 1.4598 1.4598 1.4852 1.4852 1.5451 1.5451 7.5077 7.5077 10.7121 10.7121 11.0765 11.0765 12.0878 12.0878 12.7105 12.7105 12.8655 12.8655 12.9485 12.9485 13.1042 13.1042 13.6873 13.6873 14.4126 14.4126 14.9190 14.9190 15.1576 15.1576 15.2458 15.2458 15.5722 15.5722 15.9181 15.9181 16.1326 16.1326 16.4529 16.4529 18.5331 18.5331 18.7185 18.7185 22.1810 22.1810 23.1498 23.1498 k = 0.3818 0.3818-0.0000 ( 2454 PWs) bands (ev): -1.0246 -1.0246 -1.0162 -1.0162 1.4603 1.4603 1.4845 1.4845 1.5425 1.5425 7.4547 7.4547 10.7089 10.7089 11.1108 11.1108 12.0953 12.0953 12.6746 12.6746 12.8592 12.8592 12.9371 12.9371 13.1195 13.1195 13.6473 13.6473 14.4564 14.4564 14.9295 14.9295 15.1796 15.1796 15.2773 15.2773 15.5706 15.5706 15.9439 15.9439 16.1597 16.1597 16.4815 16.4815 18.5337 18.5337 18.7639 18.7639 22.1720 22.1720 23.0282 23.0282 k = 0.3727 0.3727-0.0000 ( 2458 PWs) bands (ev): -1.0255 -1.0255 -1.0163 -1.0163 1.4607 1.4607 1.4837 1.4837 1.5398 1.5398 7.3979 7.3979 10.7088 10.7088 11.1470 11.1470 12.1022 12.1022 12.6365 12.6365 12.8526 12.8526 12.9279 12.9279 13.1372 13.1372 13.6073 13.6073 14.4957 14.4957 14.9440 14.9440 15.2011 15.2011 15.3102 15.3102 15.5699 15.5699 15.9691 15.9691 16.1857 16.1857 16.5132 16.5132 18.5339 18.5339 18.8169 18.8169 22.1620 22.1620 22.9062 22.9062 k = 0.3636 0.3636-0.0000 ( 2462 PWs) bands (ev): -1.0265 -1.0265 -1.0166 -1.0166 1.4609 1.4609 1.4830 1.4830 1.5369 1.5369 7.3375 7.3375 10.7122 10.7122 11.1849 11.1849 12.1085 12.1085 12.5967 12.5967 12.8443 12.8443 12.9224 12.9224 13.1567 13.1567 13.5685 13.5685 14.5284 14.5284 14.9641 14.9641 15.2221 15.2221 15.3437 15.3437 15.5706 15.5706 15.9935 15.9935 16.2106 16.2106 16.5478 16.5478 18.5336 18.5336 18.8774 18.8774 22.1468 22.1468 22.7894 22.7894 k = 0.3545 0.3545-0.0000 ( 2456 PWs) bands (ev): -1.0275 -1.0275 -1.0169 -1.0169 1.4610 1.4610 1.4823 1.4823 1.5339 1.5339 7.2738 7.2738 10.7191 10.7191 11.2243 11.2243 12.1141 12.1141 12.5557 12.5557 12.8335 12.8335 12.9216 12.9216 13.1769 13.1769 13.5323 13.5323 14.5528 14.5528 14.9907 14.9907 15.2424 15.2424 15.3770 15.3770 15.5737 15.5737 16.0169 16.0169 16.2345 16.2345 16.5850 16.5850 18.5329 18.5329 18.9455 18.9455 22.1191 22.1191 22.6864 22.6864 k = 0.3455 0.3455-0.0000 ( 2464 PWs) bands (ev): -1.0286 -1.0286 -1.0173 -1.0173 1.4609 1.4609 1.4816 1.4816 1.5307 1.5307 7.2071 7.2071 10.7296 10.7296 11.2647 11.2647 12.1188 12.1188 12.5139 12.5139 12.8198 12.8198 12.9259 12.9259 13.1955 13.1955 13.5016 13.5016 14.5678 14.5678 15.0245 15.0245 15.2622 15.2622 15.4089 15.4089 15.5807 15.5807 16.0395 16.0395 16.2574 16.2574 16.6245 16.6245 18.5316 18.5316 19.0207 19.0207 22.0689 22.0689 22.6082 22.6082 k = 0.3364 0.3364-0.0000 ( 2470 PWs) bands (ev): -1.0297 -1.0297 -1.0177 -1.0177 1.4605 1.4605 1.4811 1.4811 1.5274 1.5274 7.1377 7.1377 10.7436 10.7436 11.3061 11.3061 12.1227 12.1227 12.4718 12.4718 12.8038 12.8038 12.9350 12.9350 13.2087 13.2087 13.4805 13.4805 14.5732 14.5732 15.0649 15.0649 15.2814 15.2814 15.4382 15.4382 15.5929 15.5929 16.0614 16.0614 16.2795 16.2795 16.6659 16.6659 18.5299 18.5299 19.1025 19.1025 21.9889 21.9889 22.5627 22.5627 k = 0.3273 0.3273-0.0000 ( 2462 PWs) bands (ev): -1.0309 -1.0309 -1.0183 -1.0183 1.4599 1.4599 1.4806 1.4806 1.5239 1.5239 7.0660 7.0660 10.7608 10.7608 11.3481 11.3481 12.1257 12.1257 12.4299 12.4299 12.7860 12.7860 12.9481 12.9481 13.2117 13.2117 13.4746 13.4746 14.5699 14.5699 15.1104 15.1104 15.3002 15.3002 15.4639 15.4639 15.6118 15.6118 16.0830 16.0830 16.3010 16.3010 16.7088 16.7088 18.5275 18.5275 19.1902 19.1902 21.8809 21.8809 22.5487 22.5487 k = 0.3182 0.3182-0.0000 ( 2452 PWs) bands (ev): -1.0321 -1.0321 -1.0189 -1.0189 1.4591 1.4591 1.4801 1.4801 1.5202 1.5202 6.9925 6.9925 10.7808 10.7808 11.3904 11.3904 12.1279 12.1279 12.3886 12.3886 12.7668 12.7668 12.9640 12.9640 13.2020 13.2020 13.4870 13.4870 14.5591 14.5591 15.1590 15.1590 15.3191 15.3191 15.4863 15.4863 15.6374 15.6374 16.1045 16.1045 16.3219 16.3219 16.7529 16.7529 18.5244 18.5244 19.2829 19.2829 21.7531 21.7531 22.5583 22.5583 k = 0.3091 0.3091-0.0000 ( 2456 PWs) bands (ev): -1.0333 -1.0333 -1.0197 -1.0197 1.4581 1.4581 1.4797 1.4797 1.5165 1.5165 6.9174 6.9174 10.8032 10.8032 11.4329 11.4329 12.1294 12.1294 12.3485 12.3485 12.7467 12.7467 12.9814 12.9814 13.1823 13.1823 13.5164 13.5164 14.5422 14.5422 15.2071 15.2071 15.3397 15.3397 15.5071 15.5071 15.6687 15.6687 16.1262 16.1262 16.3421 16.3421 16.7978 16.7978 18.5206 18.5206 19.3797 19.3797 21.6133 21.6133 22.5841 22.5841 k = 0.3000 0.3000-0.0000 ( 2464 PWs) bands (ev): -1.0346 -1.0346 -1.0205 -1.0205 1.4569 1.4569 1.4792 1.4792 1.5126 1.5126 6.8411 6.8411 10.8275 10.8275 11.4753 11.4753 12.1304 12.1304 12.3103 12.3103 12.7260 12.7260 12.9969 12.9969 13.1597 13.1597 13.5588 13.5588 14.5204 14.5204 15.2497 15.2497 15.3658 15.3658 15.5283 15.5283 15.7040 15.7040 16.1485 16.1485 16.3619 16.3619 16.8433 16.8433 18.5160 18.5160 19.4795 19.4795 21.4665 21.4665 22.6212 22.6212 k = 0.2909 0.2909-0.0000 ( 2452 PWs) bands (ev): -1.0359 -1.0359 -1.0215 -1.0215 1.4555 1.4555 1.4788 1.4788 1.5087 1.5087 6.7640 6.7640 10.8529 10.8529 11.5174 11.5174 12.1309 12.1309 12.2744 12.2744 12.7048 12.7048 13.0041 13.0041 13.1439 13.1439 13.6107 13.6107 14.4953 14.4953 15.2807 15.2807 15.4021 15.4021 15.5516 15.5516 15.7416 15.7416 16.1715 16.1715 16.3812 16.3812 16.8891 16.8891 18.5104 18.5104 19.5810 19.5810 21.3158 21.3158 22.6666 22.6666 k = 0.2818 0.2818-0.0000 ( 2452 PWs) bands (ev): -1.0373 -1.0373 -1.0225 -1.0225 1.4540 1.4540 1.4783 1.4783 1.5046 1.5046 6.6864 6.6864 10.8788 10.8788 11.5591 11.5591 12.1311 12.1311 12.2415 12.2415 12.6833 12.6833 12.9945 12.9945 13.1450 13.1450 13.6703 13.6703 14.4678 14.4678 15.2990 15.2990 15.4489 15.4489 15.5781 15.5781 15.7806 15.7806 16.1953 16.1953 16.4002 16.4002 16.9349 16.9349 18.5038 18.5038 19.6830 19.6830 21.1633 21.1633 22.7182 22.7182 k = 0.2727 0.2727-0.0000 ( 2456 PWs) bands (ev): -1.0386 -1.0386 -1.0237 -1.0237 1.4523 1.4523 1.4777 1.4777 1.5005 1.5005 6.6087 6.6087 10.9041 10.9041 11.6002 11.6002 12.1311 12.1311 12.2124 12.2124 12.6616 12.6616 12.9689 12.9689 13.1634 13.1634 13.7362 13.7362 14.4393 14.4393 15.3087 15.3087 15.5012 15.5012 15.6089 15.6089 15.8200 15.8200 16.2201 16.2201 16.4189 16.4189 16.9807 16.9807 18.4961 18.4961 19.7838 19.7838 21.0105 21.0105 22.7744 22.7744 k = 0.2636 0.2636-0.0000 ( 2456 PWs) bands (ev): -1.0400 -1.0400 -1.0250 -1.0250 1.4505 1.4505 1.4771 1.4771 1.4963 1.4963 6.5313 6.5313 10.9280 10.9280 11.6405 11.6405 12.1308 12.1308 12.1879 12.1879 12.6400 12.6400 12.9344 12.9344 13.1923 13.1923 13.8076 13.8076 14.4111 14.4111 15.3135 15.3135 15.5541 15.5541 15.6448 15.6448 15.8595 15.8595 16.2457 16.2457 16.4377 16.4377 17.0262 17.0262 18.4870 18.4870 19.8816 19.8816 20.8590 20.8590 22.8338 22.8338 k = 0.2545 0.2545-0.0000 ( 2452 PWs) bands (ev): -1.0414 -1.0414 -1.0264 -1.0264 1.4486 1.4486 1.4763 1.4763 1.4920 1.4920 6.4543 6.4543 10.9496 10.9496 11.6801 11.6801 12.1303 12.1303 12.1687 12.1687 12.6184 12.6184 12.8958 12.8958 13.2269 13.2269 13.8840 13.8840 14.3841 14.3841 15.3155 15.3155 15.6044 15.6044 15.6868 15.6868 15.8985 15.8985 16.2720 16.2720 16.4568 16.4568 17.0712 17.0712 18.4766 18.4766 19.9737 19.9737 20.7107 20.7107 22.8949 22.8949 k = 0.2455 0.2455-0.0000 ( 2452 PWs) bands (ev): -1.0428 -1.0428 -1.0278 -1.0278 1.4467 1.4467 1.4755 1.4755 1.4877 1.4877 6.3781 6.3781 10.9678 10.9678 11.7187 11.7187 12.1291 12.1291 12.1559 12.1559 12.5971 12.5971 12.8557 12.8557 13.2650 13.2650 13.9649 13.9649 14.3598 14.3598 15.3157 15.3157 15.6505 15.6505 15.7349 15.7349 15.9369 15.9369 16.2988 16.2988 16.4766 16.4766 17.1157 17.1157 18.4646 18.4646 20.0547 20.0547 20.5701 20.5701 22.9562 22.9562 k = 0.2364 0.2364-0.0000 ( 2458 PWs) bands (ev): -1.0442 -1.0442 -1.0294 -1.0294 1.4447 1.4447 1.4745 1.4745 1.4833 1.4833 6.3029 6.3029 10.9818 10.9818 11.7564 11.7564 12.1272 12.1272 12.1499 12.1499 12.5761 12.5761 12.8150 12.8150 13.3054 13.3054 14.0498 14.0498 14.3392 14.3392 15.3151 15.3151 15.6931 15.6931 15.7870 15.7870 15.9746 15.9746 16.3257 16.3257 16.4975 16.4975 17.1595 17.1595 18.4510 18.4510 20.1108 20.1108 20.4503 20.4503 23.0158 23.0158 k = 0.2273 0.2273-0.0000 ( 2454 PWs) bands (ev): -1.0456 -1.0456 -1.0311 -1.0311 1.4426 1.4426 1.4734 1.4734 1.4790 1.4790 6.2291 6.2291 10.9911 10.9911 11.7931 11.7931 12.1259 12.1259 12.1494 12.1494 12.5554 12.5554 12.7745 12.7745 13.3474 13.3474 14.1382 14.1382 14.3234 14.3234 15.3141 15.3141 15.7338 15.7338 15.8405 15.8405 16.0115 16.0115 16.3521 16.3521 16.5201 16.5201 17.2025 17.2025 18.4355 18.4355 20.1030 20.1030 20.3889 20.3889 23.0715 23.0715 k = 0.2182 0.2182-0.0000 ( 2460 PWs) bands (ev): -1.0470 -1.0470 -1.0328 -1.0328 1.4405 1.4405 1.4720 1.4720 1.4748 1.4748 6.1567 6.1567 10.9952 10.9952 11.8286 11.8286 12.1264 12.1264 12.1531 12.1531 12.5352 12.5352 12.7344 12.7344 13.3906 13.3906 14.2296 14.2296 14.3138 14.3138 15.3131 15.3131 15.7736 15.7736 15.8935 15.8935 16.0478 16.0478 16.3775 16.3775 16.5452 16.5452 17.2445 17.2445 18.4181 18.4181 20.0135 20.0135 20.4028 20.4028 23.1211 23.1211 k = 0.2091 0.2091-0.0000 ( 2464 PWs) bands (ev): -1.0484 -1.0484 -1.0346 -1.0346 1.4383 1.4383 1.4693 1.4693 1.4719 1.4719 6.0861 6.0861 10.9942 10.9942 11.8629 11.8629 12.1285 12.1285 12.1605 12.1605 12.5156 12.5156 12.6951 12.6951 13.4349 13.4349 14.3072 14.3072 14.3274 14.3274 15.3127 15.3127 15.8130 15.8130 15.9443 15.9443 16.0834 16.0834 16.4013 16.4013 16.5731 16.5731 17.2854 17.2854 18.3986 18.3986 19.8890 19.8890 20.4442 20.4442 23.1627 23.1627 k = 0.2000 0.2000-0.0000 ( 2460 PWs) bands (ev): -1.0498 -1.0498 -1.0365 -1.0365 1.4362 1.4362 1.4653 1.4653 1.4702 1.4702 6.0174 6.0174 10.9883 10.9883 11.8961 11.8961 12.1314 12.1314 12.1713 12.1713 12.4967 12.4967 12.6568 12.6568 13.4805 13.4805 14.3139 14.3139 14.4215 14.4215 15.3133 15.3133 15.8521 15.8521 15.9920 15.9920 16.1186 16.1186 16.4234 16.4234 16.6043 16.6043 17.3252 17.3252 18.3769 18.3769 19.7554 19.7554 20.4859 20.4859 23.1954 23.1954 k = 0.1909 0.1909-0.0000 ( 2458 PWs) bands (ev): -1.0511 -1.0511 -1.0384 -1.0384 1.4340 1.4340 1.4610 1.4610 1.4688 1.4688 5.9508 5.9508 10.9780 10.9780 11.9279 11.9279 12.1347 12.1347 12.1850 12.1850 12.4784 12.4784 12.6196 12.6196 13.5274 13.5274 14.3262 14.3262 14.5192 14.5192 15.3154 15.3154 15.8908 15.8908 16.0359 16.0359 16.1531 16.1531 16.4438 16.4438 16.6386 16.6386 17.3636 17.3636 18.3528 18.3528 19.6206 19.6206 20.5191 20.5191 23.2192 23.2192 k = 0.1818 0.1818-0.0000 ( 2450 PWs) bands (ev): -1.0524 -1.0524 -1.0404 -1.0404 1.4318 1.4318 1.4567 1.4567 1.4673 1.4673 5.8864 5.8864 10.9638 10.9638 11.9584 11.9584 12.1381 12.1381 12.2002 12.2002 12.4610 12.4610 12.5837 12.5837 13.5765 13.5765 14.3463 14.3463 14.6174 14.6174 15.3197 15.3197 15.9289 15.9289 16.0760 16.0760 16.1864 16.1864 16.4628 16.4628 16.6758 16.6758 17.4005 17.4005 18.3263 18.3263 19.4873 19.4873 20.5402 20.5402 23.2358 23.2358 k = 0.1727 0.1727-0.0000 ( 2454 PWs) bands (ev): -1.0537 -1.0537 -1.0424 -1.0424 1.4296 1.4296 1.4524 1.4524 1.4659 1.4659 5.8245 5.8245 10.9465 10.9465 11.9875 11.9875 12.1416 12.1416 12.2157 12.2157 12.4444 12.4444 12.5492 12.5492 13.6282 13.6282 14.3739 14.3739 14.7149 14.7149 15.3272 15.3272 15.9662 15.9662 16.1123 16.1123 16.2176 16.2176 16.4812 16.4812 16.7154 16.7154 17.4357 17.4357 18.2972 18.2972 19.3569 19.3569 20.5473 20.5473 23.2478 23.2478 k = 0.1636 0.1636-0.0000 ( 2444 PWs) bands (ev): -1.0550 -1.0550 -1.0444 -1.0444 1.4274 1.4274 1.4482 1.4482 1.4644 1.4644 5.7651 5.7651 10.9268 10.9268 12.0153 12.0153 12.1453 12.1453 12.2300 12.2300 12.4287 12.4287 12.5163 12.5163 13.6835 13.6835 14.4086 14.4086 14.8099 14.8099 15.3394 15.3394 16.0024 16.0024 16.1455 16.1455 16.2457 16.2457 16.4995 16.4995 16.7568 16.7568 17.4691 17.4691 18.2657 18.2657 19.2303 19.2303 20.5393 20.5393 23.2579 23.2579 k = 0.1545 0.1545-0.0000 ( 2454 PWs) bands (ev): -1.0562 -1.0562 -1.0464 -1.0464 1.4253 1.4253 1.4441 1.4441 1.4629 1.4629 5.7083 5.7083 10.9052 10.9052 12.0416 12.0416 12.1492 12.1492 12.2422 12.2422 12.4138 12.4138 12.4851 12.4851 13.7428 13.7428 14.4495 14.4495 14.9001 14.9001 15.3586 15.3586 16.0372 16.0372 16.1759 16.1759 16.2697 16.2697 16.5185 16.5185 16.7995 16.7995 17.5004 17.5004 18.2316 18.2316 19.1081 19.1081 20.5158 20.5158 23.2686 23.2686 k = 0.1455 0.1455-0.0000 ( 2458 PWs) bands (ev): -1.0574 -1.0574 -1.0484 -1.0484 1.4232 1.4232 1.4401 1.4401 1.4614 1.4614 5.6543 5.6543 10.8826 10.8826 12.0664 12.0664 12.1532 12.1532 12.2518 12.2518 12.3995 12.3995 12.4560 12.4560 13.8068 13.8068 14.4954 14.4954 14.9819 14.9819 15.3878 15.3878 16.0703 16.0703 16.2039 16.2039 16.2893 16.2893 16.5383 16.5383 16.8429 16.8429 17.5292 17.5292 18.1954 18.1954 18.9909 18.9909 20.4770 20.4770 23.2818 23.2818 k = 0.1364 0.1364-0.0000 ( 2456 PWs) bands (ev): -1.0586 -1.0586 -1.0503 -1.0503 1.4211 1.4211 1.4362 1.4362 1.4599 1.4599 5.6031 5.6031 10.8593 10.8593 12.0896 12.0896 12.1574 12.1574 12.2583 12.2583 12.3854 12.3854 12.4294 12.4294 13.8757 13.8757 14.5452 14.5452 15.0519 15.0519 15.4305 15.4305 16.1012 16.1012 16.2290 16.2290 16.3050 16.3050 16.5591 16.5591 16.8864 16.8864 17.5551 17.5551 18.1572 18.1572 18.8792 18.8792 20.4238 20.4238 23.2988 23.2988 k = 0.1273 0.1273-0.0000 ( 2456 PWs) bands (ev): -1.0597 -1.0597 -1.0522 -1.0522 1.4191 1.4191 1.4324 1.4324 1.4585 1.4585 5.5549 5.5549 10.8359 10.8359 12.1111 12.1111 12.1618 12.1618 12.2620 12.2620 12.3706 12.3706 12.4062 12.4062 13.9495 13.9495 14.5974 14.5974 15.1081 15.1081 15.4883 15.4883 16.1295 16.1295 16.2502 16.2502 16.3190 16.3190 16.5805 16.5805 16.9294 16.9294 17.5773 17.5773 18.1179 18.1179 18.7733 18.7733 20.3577 20.3577 23.3202 23.3202 k = 0.1182 0.1182-0.0000 ( 2460 PWs) bands (ev): -1.0607 -1.0607 -1.0541 -1.0541 1.4172 1.4172 1.4288 1.4288 1.4571 1.4571 5.5098 5.5098 10.8127 10.8127 12.1305 12.1305 12.1664 12.1664 12.2633 12.2633 12.3539 12.3539 12.3874 12.3874 14.0278 14.0278 14.6505 14.6505 15.1519 15.1519 15.5595 15.5595 16.1545 16.1545 16.2658 16.2658 16.3343 16.3343 16.6020 16.6020 16.9716 16.9716 17.5950 17.5950 18.0784 18.0784 18.6733 18.6733 20.2803 20.2803 23.3461 23.3461 k = 0.1091 0.1091-0.0000 ( 2460 PWs) bands (ev): -1.0617 -1.0617 -1.0559 -1.0559 1.4154 1.4154 1.4253 1.4253 1.4558 1.4558 5.4677 5.4677 10.7901 10.7901 12.1473 12.1473 12.1718 12.1718 12.2629 12.2629 12.3356 12.3356 12.3727 12.3727 14.1101 14.1101 14.7029 14.7029 15.1874 15.1874 15.6391 15.6391 16.1748 16.1748 16.2762 16.2762 16.3532 16.3532 16.6232 16.6232 17.0124 17.0124 17.6069 17.6069 18.0402 18.0402 18.5795 18.5795 20.1940 20.1940 23.3765 23.3765 k = 0.1000 0.1000-0.0000 ( 2456 PWs) bands (ev): -1.0626 -1.0626 -1.0576 -1.0576 1.4137 1.4137 1.4221 1.4221 1.4545 1.4545 5.4288 5.4288 10.7685 10.7685 12.1601 12.1601 12.1787 12.1787 12.2617 12.2617 12.3169 12.3169 12.3607 12.3607 14.1958 14.1958 14.7530 14.7530 15.2186 15.2186 15.7215 15.7215 16.1888 16.1888 16.2856 16.2856 16.3753 16.3753 16.6435 16.6435 17.0512 17.0512 17.6111 17.6111 18.0055 18.0055 18.4918 18.4918 20.1010 20.1010 23.4109 23.4109 k = 0.0909 0.0909-0.0000 ( 2466 PWs) bands (ev): -1.0634 -1.0634 -1.0592 -1.0592 1.4120 1.4120 1.4191 1.4191 1.4533 1.4533 5.3931 5.3931 10.7480 10.7480 12.1682 12.1682 12.1871 12.1871 12.2605 12.2605 12.2991 12.2991 12.3502 12.3502 14.2840 14.2840 14.7990 14.7990 15.2489 15.2489 15.8000 15.8000 16.1971 16.1971 16.2985 16.2985 16.3990 16.3990 16.6629 16.6629 17.0879 17.0879 17.6058 17.6058 17.9765 17.9765 18.4100 18.4100 20.0039 20.0039 23.4487 23.4487 k = 0.0818 0.0818-0.0000 ( 2473 PWs) bands (ev): -1.0642 -1.0642 -1.0607 -1.0607 1.4105 1.4105 1.4163 1.4163 1.4522 1.4522 5.3607 5.3607 10.7288 10.7288 12.1733 12.1733 12.1948 12.1948 12.2603 12.2603 12.2831 12.2831 12.3407 12.3407 14.3738 14.3738 14.8398 14.8398 15.2800 15.2800 15.8655 15.8655 16.2067 16.2067 16.3162 16.3162 16.4237 16.4237 16.6810 16.6810 17.1218 17.1218 17.5895 17.5895 17.9549 17.9549 18.3338 18.3338 19.9055 19.9055 23.4893 23.4893 k = 0.0727 0.0727-0.0000 ( 2473 PWs) bands (ev): -1.0649 -1.0649 -1.0621 -1.0621 1.4091 1.4091 1.4137 1.4137 1.4512 1.4512 5.3316 5.3316 10.7113 10.7113 12.1769 12.1769 12.1996 12.1996 12.2606 12.2606 12.2706 12.2706 12.3320 12.3320 14.4641 14.4641 14.8743 14.8743 15.3127 15.3127 15.9066 15.9066 16.2291 16.2291 16.3371 16.3371 16.4493 16.4493 16.6978 16.6978 17.1528 17.1528 17.5622 17.5622 17.9413 17.9413 18.2631 18.2631 19.8082 19.8082 23.5319 23.5319 k = 0.0636 0.0636-0.0000 ( 2477 PWs) bands (ev): -1.0655 -1.0655 -1.0633 -1.0633 1.4079 1.4079 1.4114 1.4114 1.4504 1.4504 5.3058 5.3058 10.6955 10.6955 12.1795 12.1795 12.2010 12.2010 12.2540 12.2540 12.2693 12.2693 12.3241 12.3241 14.5538 14.5538 14.9026 14.9026 15.3464 15.3464 15.9164 15.9164 16.2708 16.2708 16.3598 16.3598 16.4769 16.4769 16.7134 16.7134 17.1805 17.1805 17.5253 17.5253 17.9346 17.9346 18.1978 18.1978 19.7149 19.7149 23.5756 23.5756 k = 0.0545 0.0545-0.0000 ( 2485 PWs) bands (ev): -1.0660 -1.0660 -1.0644 -1.0644 1.4068 1.4068 1.4094 1.4094 1.4496 1.4496 5.2834 5.2834 10.6815 10.6815 12.1814 12.1814 12.1996 12.1996 12.2449 12.2449 12.2741 12.2741 12.3169 12.3169 14.6414 14.6414 14.9250 14.9250 15.3800 15.3800 15.9003 15.9003 16.3245 16.3245 16.3830 16.3830 16.5091 16.5091 16.7275 16.7275 17.2048 17.2048 17.4811 17.4811 17.9328 17.9328 18.1380 18.1380 19.6279 19.6279 23.6192 23.6192 k = 0.0455 0.0455-0.0000 ( 2493 PWs) bands (ev): -1.0665 -1.0665 -1.0654 -1.0654 1.4058 1.4058 1.4077 1.4077 1.4489 1.4489 5.2644 5.2644 10.6695 10.6695 12.1826 12.1826 12.1965 12.1965 12.2378 12.2378 12.2798 12.2798 12.3107 12.3107 14.7251 14.7251 14.9422 14.9422 15.4118 15.4118 15.8684 15.8684 16.3760 16.3760 16.4056 16.4056 16.5503 16.5503 16.7403 16.7403 17.2254 17.2254 17.4320 17.4320 17.9339 17.9339 18.0841 18.0841 19.5499 19.5499 23.6615 23.6615 k = 0.0364 0.0364-0.0000 ( 2493 PWs) bands (ev): -1.0669 -1.0669 -1.0662 -1.0662 1.4051 1.4051 1.4062 1.4062 1.4483 1.4483 5.2488 5.2488 10.6596 10.6596 12.1832 12.1832 12.1927 12.1927 12.2327 12.2327 12.2852 12.2852 12.3055 12.3055 14.8028 14.8028 14.9549 14.9549 15.4403 15.4403 15.8289 15.8289 16.4152 16.4152 16.4266 16.4266 16.6028 16.6028 16.7516 16.7516 17.2423 17.2423 17.3805 17.3805 17.9364 17.9364 18.0371 18.0371 19.4828 19.4828 23.7006 23.7006 k = 0.0273 0.0273-0.0000 ( 2493 PWs) bands (ev): -1.0672 -1.0672 -1.0668 -1.0668 1.4044 1.4044 1.4051 1.4051 1.4479 1.4479 5.2367 5.2367 10.6518 10.6518 12.1835 12.1835 12.1890 12.1890 12.2293 12.2293 12.2897 12.2897 12.3014 12.3014 14.8711 14.8711 14.9641 14.9641 15.4639 15.4639 15.7884 15.7884 16.4408 16.4408 16.4447 16.4447 16.6618 16.6618 16.7611 16.7611 17.2552 17.2552 17.3298 17.3298 17.9392 17.9392 17.9981 17.9981 19.4286 19.4286 23.7345 23.7345 k = 0.0182 0.0182-0.0000 ( 2493 PWs) bands (ev): -1.0674 -1.0674 -1.0672 -1.0672 1.4040 1.4040 1.4043 1.4043 1.4476 1.4476 5.2280 5.2280 10.6462 10.6462 12.1835 12.1835 12.1860 12.1860 12.2272 12.2272 12.2931 12.2931 12.2984 12.2984 14.9260 14.9260 14.9702 14.9702 15.4815 15.4815 15.7525 15.7525 16.4567 16.4567 16.4584 16.4584 16.7177 16.7177 16.7684 16.7684 17.2627 17.2627 17.2855 17.2855 17.9417 17.9417 17.9686 17.9686 19.3889 19.3889 23.7610 23.7610 k = 0.0091 0.0091-0.0000 ( 2493 PWs) bands (ev): -1.0675 -1.0675 -1.0675 -1.0675 1.4037 1.4037 1.4038 1.4038 1.4474 1.4474 5.2228 5.2228 10.6428 10.6428 12.1834 12.1834 12.1840 12.1840 12.2260 12.2260 12.2952 12.2952 12.2966 12.2966 14.9621 14.9621 14.9737 14.9737 15.4924 15.4924 15.7274 15.7274 16.4659 16.4659 16.4664 16.4664 16.7591 16.7591 16.7731 16.7731 17.2465 17.2465 17.2733 17.2733 17.9434 17.9434 17.9502 17.9502 19.3646 19.3646 23.7780 23.7780 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -1.0676 -1.0676 -1.0676 -1.0676 1.4036 1.4036 1.4036 1.4036 1.4473 1.4473 5.2211 5.2211 10.6417 10.6417 12.1833 12.1833 12.1833 12.1833 12.2257 12.2257 12.2959 12.2959 12.2959 12.2959 14.9749 14.9749 14.9749 14.9749 15.4960 15.4960 15.7183 15.7183 16.4690 16.4690 16.4690 16.4690 16.7747 16.7747 16.7747 16.7747 17.2343 17.2343 17.2743 17.2743 17.9439 17.9439 17.9439 17.9439 19.3564 19.3564 23.7839 23.7839 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -1.0676 -1.0676 -1.0676 -1.0676 1.4036 1.4036 1.4036 1.4036 1.4473 1.4473 5.2211 5.2211 10.6417 10.6417 12.1833 12.1833 12.1833 12.1833 12.2257 12.2257 12.2959 12.2959 12.2959 12.2959 14.9749 14.9749 14.9749 14.9749 15.4960 15.4960 15.7183 15.7183 16.4690 16.4690 16.4690 16.4690 16.7747 16.7747 16.7747 16.7747 17.2343 17.2343 17.2743 17.2743 17.9439 17.9439 17.9439 17.9439 19.3564 19.3564 23.7839 23.7839 k = 0.0074 0.0074 0.0074 ( 2493 PWs) bands (ev): -1.0675 -1.0675 -1.0675 -1.0675 1.4037 1.4037 1.4038 1.4038 1.4474 1.4474 5.2228 5.2228 10.6428 10.6428 12.1833 12.1833 12.1841 12.1841 12.2260 12.2260 12.2959 12.2959 12.2959 12.2959 14.9621 14.9621 14.9740 14.9740 15.4924 15.4924 15.7273 15.7273 16.4660 16.4660 16.4665 16.4665 16.7633 16.7633 16.7692 16.7692 17.2462 17.2462 17.2734 17.2734 17.9428 17.9428 17.9506 17.9506 19.3644 19.3644 23.7779 23.7780 k = 0.0147 0.0147 0.0147 ( 2493 PWs) bands (ev): -1.0674 -1.0674 -1.0672 -1.0672 1.4040 1.4040 1.4042 1.4042 1.4476 1.4476 5.2279 5.2279 10.6461 10.6461 12.1832 12.1832 12.1862 12.1862 12.2272 12.2272 12.2956 12.2956 12.2959 12.2959 14.9258 14.9258 14.9713 14.9713 15.4817 15.4817 15.7520 15.7520 16.4566 16.4566 16.4588 16.4588 16.7335 16.7335 16.7532 16.7532 17.2615 17.2615 17.2868 17.2868 17.9396 17.9396 17.9701 17.9701 19.3884 19.3884 23.7606 23.7606 k = 0.0221 0.0221 0.0221 ( 2493 PWs) bands (ev): -1.0672 -1.0672 -1.0668 -1.0668 1.4045 1.4045 1.4050 1.4050 1.4479 1.4479 5.2364 5.2364 10.6516 10.6516 12.1827 12.1827 12.1896 12.1896 12.2293 12.2293 12.2951 12.2951 12.2960 12.2960 14.8704 14.8704 14.9670 14.9670 15.4639 15.4639 15.7877 15.7877 16.4405 16.4405 16.4459 16.4459 16.6940 16.6940 16.7288 16.7288 17.2536 17.2536 17.3328 17.3328 17.9345 17.9345 18.0010 18.0010 19.4281 19.4281 23.7335 23.7335 k = 0.0294 0.0294 0.0294 ( 2493 PWs) bands (ev): -1.0669 -1.0669 -1.0662 -1.0662 1.4052 1.4052 1.4060 1.4060 1.4483 1.4483 5.2483 5.2483 10.6593 10.6593 12.1815 12.1815 12.1943 12.1943 12.2327 12.2327 12.2944 12.2944 12.2961 12.2961 14.8007 14.8007 14.9608 14.9608 15.4393 15.4393 15.8290 15.8290 16.4170 16.4170 16.4277 16.4277 16.6527 16.6527 16.6985 16.6985 17.2399 17.2399 17.3870 17.3870 17.9277 17.9277 18.0414 18.0414 19.4831 19.4831 23.6986 23.6986 k = 0.0368 0.0368 0.0368 ( 2493 PWs) bands (ev): -1.0665 -1.0665 -1.0654 -1.0654 1.4060 1.4060 1.4074 1.4074 1.4489 1.4489 5.2636 5.2636 10.6690 10.6690 12.1794 12.1794 12.2002 12.2002 12.2376 12.2376 12.2936 12.2936 12.2965 12.2965 14.7207 14.7207 14.9530 14.9530 15.4079 15.4079 15.8713 15.8713 16.3853 16.3853 16.4053 16.4053 16.6139 16.6139 16.6651 16.6651 17.2219 17.2219 17.4433 17.4433 17.9197 17.9197 18.0894 18.0894 19.5526 19.5526 23.6582 23.6582 k = 0.0441 0.0441 0.0441 ( 2487 PWs) bands (ev): -1.0660 -1.0660 -1.0645 -1.0645 1.4070 1.4070 1.4090 1.4090 1.4495 1.4495 5.2822 5.2822 10.6808 10.6808 12.1761 12.1761 12.2071 12.2071 12.2439 12.2439 12.2928 12.2928 12.2972 12.2972 14.6335 14.6335 14.9435 14.9435 15.3702 15.3702 15.9105 15.9105 16.3450 16.3450 16.3811 16.3811 16.5794 16.5794 16.6313 16.6313 17.1997 17.1997 17.4987 17.4987 17.9112 17.9112 18.1428 18.1428 19.6357 19.6357 23.6142 23.6142 k = 0.0515 0.0515 0.0515 ( 2481 PWs) bands (ev): -1.0655 -1.0655 -1.0634 -1.0634 1.4082 1.4082 1.4109 1.4109 1.4503 1.4503 5.3042 5.3042 10.6946 10.6946 12.1715 12.1715 12.2146 12.2146 12.2514 12.2514 12.2923 12.2923 12.2985 12.2985 14.5412 14.5412 14.9323 14.9323 15.3267 15.3267 15.9431 15.9431 16.2962 16.2962 16.3587 16.3587 16.5486 16.5486 16.5984 16.5984 17.1735 17.1735 17.5515 17.5515 17.9029 17.9029 18.2001 18.2001 19.7313 19.7313 23.5682 23.5682 k = 0.0588 0.0588 0.0588 ( 2469 PWs) bands (ev): -1.0649 -1.0649 -1.0622 -1.0622 1.4095 1.4095 1.4131 1.4131 1.4512 1.4512 5.3295 5.3295 10.7102 10.7102 12.1657 12.1657 12.2224 12.2224 12.2594 12.2594 12.2926 12.2926 12.3009 12.3009 14.4455 14.4455 14.9195 14.9195 15.2781 15.2781 15.9663 15.9663 16.2400 16.2400 16.3417 16.3417 16.5203 16.5203 16.5673 16.5673 17.1431 17.1431 17.6000 17.6000 17.8964 17.8964 18.2598 18.2598 19.8380 19.8380 23.5216 23.5216 k = 0.0662 0.0662 0.0662 ( 2469 PWs) bands (ev): -1.0642 -1.0642 -1.0609 -1.0609 1.4110 1.4110 1.4154 1.4154 1.4522 1.4522 5.3580 5.3580 10.7276 10.7276 12.1586 12.1586 12.2297 12.2297 12.2660 12.2660 12.2955 12.2955 12.3050 12.3050 14.3476 14.3476 14.9051 14.9051 15.2252 15.2252 15.9779 15.9779 16.1777 16.1777 16.3326 16.3326 16.4931 16.4931 16.5378 16.5378 17.1089 17.1089 17.6425 17.6425 17.8938 17.8938 18.3207 18.3207 19.9544 19.9544 23.4751 23.4751 k = 0.0735 0.0735 0.0735 ( 2460 PWs) bands (ev): -1.0635 -1.0635 -1.0594 -1.0594 1.4125 1.4125 1.4181 1.4181 1.4533 1.4533 5.3898 5.3898 10.7464 10.7464 12.1502 12.1502 12.2359 12.2359 12.2691 12.2691 12.3032 12.3032 12.3114 12.3114 14.2487 14.2487 14.8891 14.8891 15.1690 15.1690 15.9779 15.9779 16.1109 16.1109 16.3318 16.3318 16.4664 16.4664 16.5096 16.5096 17.0707 17.0707 17.6764 17.6764 17.8979 17.8979 18.3818 18.3818 20.0789 20.0789 23.4293 23.4293 k = 0.0809 0.0809 0.0809 ( 2460 PWs) bands (ev): -1.0627 -1.0627 -1.0578 -1.0578 1.4142 1.4142 1.4209 1.4209 1.4544 1.4544 5.4248 5.4248 10.7667 10.7667 12.1407 12.1407 12.2404 12.2404 12.2685 12.2685 12.3154 12.3154 12.3207 12.3207 14.1498 14.1498 14.8713 14.8713 15.1105 15.1105 15.9680 15.9680 16.0410 16.0410 16.3365 16.3365 16.4401 16.4401 16.4822 16.4822 17.0289 17.0289 17.6992 17.6992 17.9118 17.9118 18.4424 18.4424 20.2100 20.2100 23.3845 23.3845 k = 0.0882 0.0882 0.0882 ( 2466 PWs) bands (ev): -1.0618 -1.0618 -1.0561 -1.0561 1.4160 1.4160 1.4240 1.4240 1.4557 1.4557 5.4630 5.4630 10.7880 10.7880 12.1299 12.1299 12.2429 12.2429 12.2658 12.2658 12.3307 12.3307 12.3330 12.3330 14.0518 14.0518 14.8518 14.8518 15.0506 15.0506 15.9509 15.9509 15.9693 15.9693 16.3418 16.3418 16.4161 16.4161 16.4555 16.4555 16.9835 16.9835 17.7105 17.7105 17.9364 17.9364 18.5018 18.5018 20.3459 20.3459 23.3408 23.3408 k = 0.0956 0.0956 0.0956 ( 2466 PWs) bands (ev): -1.0609 -1.0609 -1.0543 -1.0543 1.4179 1.4179 1.4272 1.4272 1.4570 1.4570 5.5043 5.5043 10.8102 10.8102 12.1179 12.1179 12.2438 12.2438 12.2618 12.2618 12.3481 12.3481 12.3481 12.3481 13.9556 13.9556 14.8304 14.8304 14.9900 14.9900 15.8968 15.8968 15.9290 15.9290 16.3384 16.3384 16.4008 16.4008 16.4292 16.4292 16.9348 16.9348 17.7125 17.7125 17.9697 17.9697 18.5593 18.5593 20.4851 20.4851 23.2979 23.2979 k = 0.1029 0.1029 0.1029 ( 2448 PWs) bands (ev): -1.0599 -1.0599 -1.0525 -1.0525 1.4198 1.4198 1.4307 1.4307 1.4584 1.4584 5.5486 5.5486 10.8328 10.8328 12.1048 12.1048 12.2432 12.2432 12.2568 12.2568 12.3657 12.3657 12.3672 12.3672 13.8620 13.8620 14.8069 14.8069 14.9294 14.9294 15.8247 15.8247 15.9040 15.9040 16.3188 16.3188 16.3999 16.3999 16.4033 16.4033 16.8832 16.8832 17.7087 17.7087 18.0085 18.0085 18.6145 18.6145 20.6260 20.6260 23.2556 23.2556 k = 0.1103 0.1103 0.1103 ( 2448 PWs) bands (ev): -1.0589 -1.0589 -1.0505 -1.0505 1.4218 1.4218 1.4342 1.4342 1.4599 1.4599 5.5958 5.5958 10.8554 10.8554 12.0908 12.0908 12.2416 12.2416 12.2510 12.2510 12.3852 12.3852 12.3878 12.3878 13.7719 13.7719 14.7811 14.7811 14.8693 14.8693 15.7537 15.7537 15.8770 15.8770 16.2888 16.2888 16.3777 16.3777 16.4065 16.4065 16.8289 16.8289 17.7017 17.7017 18.0502 18.0502 18.6669 18.6669 20.7667 20.7667 23.2135 23.2135 k = 0.1176 0.1176 0.1176 ( 2448 PWs) bands (ev): -1.0579 -1.0579 -1.0485 -1.0485 1.4238 1.4238 1.4379 1.4379 1.4614 1.4614 5.6459 5.6459 10.8775 10.8775 12.0762 12.0762 12.2392 12.2392 12.2444 12.2444 12.4066 12.4066 12.4097 12.4097 13.6861 13.6861 14.7526 14.7526 14.8101 14.8101 15.6849 15.6849 15.8488 15.8488 16.2541 16.2541 16.3525 16.3525 16.4145 16.4145 16.7724 16.7724 17.6930 17.6930 18.0931 18.0931 18.7163 18.7163 20.9055 20.9055 23.1708 23.1708 k = 0.1250 0.1250 0.1250 ( 2448 PWs) bands (ev): -1.0568 -1.0568 -1.0465 -1.0465 1.4259 1.4259 1.4417 1.4417 1.4629 1.4629 5.6989 5.6989 10.8983 10.8983 12.0612 12.0612 12.2362 12.2362 12.2371 12.2371 12.4294 12.4294 12.4328 12.4328 13.6052 13.6052 14.7212 14.7212 14.7520 14.7520 15.6190 15.6190 15.8196 15.8196 16.2167 16.2167 16.3278 16.3278 16.4217 16.4217 16.7141 16.7141 17.6836 17.6836 18.1360 18.1360 18.7624 18.7624 21.0405 21.0405 23.1270 23.1270 k = 0.1324 0.1324 0.1324 ( 2454 PWs) bands (ev): -1.0557 -1.0557 -1.0445 -1.0445 1.4279 1.4279 1.4456 1.4456 1.4645 1.4645 5.7545 5.7545 10.9172 10.9172 12.0464 12.0464 12.2292 12.2292 12.2328 12.2328 12.4536 12.4536 12.4571 12.4571 13.5299 13.5299 14.6864 14.6864 14.6951 14.6951 15.5568 15.5568 15.7900 15.7900 16.1772 16.1772 16.3037 16.3037 16.4275 16.4275 16.6545 16.6545 17.6740 17.6740 18.1781 18.1781 18.8048 18.8048 21.1697 21.1697 23.0816 23.0816 k = 0.1397 0.1397 0.1397 ( 2463 PWs) bands (ev): -1.0546 -1.0546 -1.0425 -1.0425 1.4299 1.4299 1.4495 1.4495 1.4661 1.4661 5.8127 5.8127 10.9332 10.9332 12.0325 12.0325 12.2207 12.2207 12.2289 12.2289 12.4790 12.4790 12.4824 12.4824 13.4608 13.4608 14.6395 14.6395 14.6479 14.6479 15.4992 15.4992 15.7601 15.7601 16.1358 16.1358 16.2802 16.2802 16.4315 16.4315 16.5943 16.5943 17.6644 17.6644 18.2189 18.2189 18.8433 18.8433 21.2910 21.2910 23.0338 23.0338 k = 0.1471 0.1471 0.1471 ( 2466 PWs) bands (ev): -1.0535 -1.0535 -1.0404 -1.0404 1.4319 1.4319 1.4535 1.4535 1.4677 1.4677 5.8734 5.8734 10.9454 10.9454 12.0206 12.0206 12.2117 12.2117 12.2249 12.2249 12.5054 12.5054 12.5088 12.5088 13.3983 13.3983 14.5851 14.5851 14.6054 14.6054 15.4467 15.4467 15.7303 15.7303 16.0929 16.0929 16.2575 16.2575 16.4334 16.4334 16.5347 16.5347 17.6551 17.6551 18.2577 18.2577 18.8778 18.8778 21.4020 21.4020 22.9832 22.9832 k = 0.1544 0.1544 0.1544 ( 2466 PWs) bands (ev): -1.0524 -1.0524 -1.0384 -1.0384 1.4338 1.4338 1.4576 1.4576 1.4693 1.4693 5.9363 5.9363 10.9527 10.9527 12.0115 12.0115 12.2023 12.2023 12.2206 12.2206 12.5327 12.5327 12.5360 12.5360 13.3425 13.3425 14.5319 14.5319 14.5588 14.5588 15.3998 15.3998 15.7010 15.7010 16.0482 16.0482 16.2357 16.2357 16.4299 16.4299 16.4794 16.4794 17.6461 17.6461 18.2941 18.2941 18.9081 18.9081 21.5005 21.5005 22.9296 22.9296 k = 0.1618 0.1618 0.1618 ( 2454 PWs) bands (ev): -1.0513 -1.0513 -1.0364 -1.0364 1.4357 1.4357 1.4616 1.4616 1.4708 1.4708 6.0015 6.0015 10.9544 10.9544 12.0065 12.0065 12.1927 12.1927 12.2163 12.2163 12.5608 12.5608 12.5641 12.5641 13.2938 13.2938 14.4797 14.4797 14.5082 14.5082 15.3588 15.3588 15.6723 15.6723 16.0019 16.0019 16.2149 16.2149 16.4005 16.4005 16.4499 16.4499 17.6375 17.6375 18.3277 18.3277 18.9340 18.9340 21.5842 21.5842 22.8727 22.8727 k = 0.1691 0.1691 0.1691 ( 2448 PWs) bands (ev): -1.0502 -1.0502 -1.0345 -1.0345 1.4375 1.4375 1.4656 1.4656 1.4724 1.4724 6.0686 6.0686 10.9495 10.9495 12.0064 12.0064 12.1828 12.1828 12.2118 12.2118 12.5896 12.5896 12.5928 12.5928 13.2521 13.2521 14.4283 14.4283 14.4539 14.4539 15.3236 15.3236 15.6447 15.6447 15.9537 15.9537 16.1952 16.1952 16.3475 16.3475 16.4447 16.4447 17.6293 17.6293 18.3583 18.3583 18.9556 18.9556 21.6510 21.6510 22.8127 22.8127 k = 0.1765 0.1765 0.1765 ( 2461 PWs) bands (ev): -1.0491 -1.0491 -1.0326 -1.0326 1.4392 1.4392 1.4695 1.4695 1.4739 1.4739 6.1375 6.1375 10.9377 10.9377 12.0120 12.0120 12.1729 12.1729 12.2074 12.2074 12.6188 12.6188 12.6223 12.6223 13.2173 13.2173 14.3776 14.3776 14.3962 14.3962 15.2940 15.2940 15.6184 15.6184 15.9036 15.9036 16.1767 16.1767 16.2927 16.2927 16.4426 16.4426 17.6215 17.6215 18.3854 18.3854 18.9725 18.9725 21.6991 21.6991 22.7500 22.7500 k = 0.1838 0.1838 0.1838 ( 2461 PWs) bands (ev): -1.0480 -1.0480 -1.0308 -1.0308 1.4408 1.4408 1.4734 1.4734 1.4754 1.4754 6.2079 6.2079 10.9191 10.9191 12.0237 12.0237 12.1631 12.1631 12.2030 12.2030 12.6485 12.6485 12.6523 12.6523 13.1893 13.1893 14.3275 14.3275 14.3358 14.3358 15.2698 15.2698 15.5935 15.5935 15.8517 15.8517 16.1595 16.1595 16.2396 16.2396 16.4409 16.4409 17.6140 17.6140 18.4090 18.4090 18.9848 18.9848 21.7274 21.7274 22.6849 22.6849 k = 0.1912 0.1912 0.1912 ( 2455 PWs) bands (ev): -1.0470 -1.0470 -1.0291 -1.0291 1.4423 1.4423 1.4769 1.4769 1.4772 1.4772 6.2797 6.2797 10.8941 10.8941 12.0412 12.0412 12.1539 12.1539 12.1986 12.1986 12.6784 12.6784 12.6827 12.6827 13.1679 13.1679 14.2734 14.2734 14.2779 14.2779 15.2504 15.2504 15.5701 15.5701 15.7983 15.7983 16.1437 16.1437 16.1892 16.1892 16.4390 16.4390 17.6069 17.6069 18.4287 18.4287 18.9924 18.9924 21.7354 21.7354 22.6180 22.6180 k = 0.1985 0.1985 0.1985 ( 2452 PWs) bands (ev): -1.0460 -1.0460 -1.0275 -1.0275 1.4436 1.4436 1.4783 1.4783 1.4809 1.4809 6.3526 6.3526 10.8636 10.8636 12.0636 12.0636 12.1458 12.1458 12.1944 12.1944 12.7085 12.7085 12.7135 12.7135 13.1529 13.1529 14.2097 14.2097 14.2287 14.2287 15.2353 15.2353 15.5476 15.5476 15.7444 15.7444 16.1294 16.1294 16.1418 16.1418 16.4369 16.4369 17.6000 17.6000 18.4443 18.4443 18.9953 18.9953 21.7233 21.7233 22.5499 22.5499 k = 0.2059 0.2059 0.2059 ( 2458 PWs) bands (ev): -1.0450 -1.0450 -1.0260 -1.0260 1.4447 1.4447 1.4797 1.4797 1.4845 1.4845 6.4262 6.4262 10.8286 10.8286 12.0877 12.0877 12.1414 12.1414 12.1902 12.1902 12.7384 12.7384 12.7446 12.7446 13.1442 13.1442 14.1455 14.1455 14.1800 14.1800 15.2240 15.2240 15.5248 15.5248 15.6915 15.6915 16.0975 16.0975 16.1168 16.1168 16.4346 16.4346 17.5935 17.5935 18.4559 18.4559 18.9932 18.9932 21.6921 21.6921 22.4809 22.4809 k = 0.2132 0.2132 0.2132 ( 2452 PWs) bands (ev): -1.0441 -1.0441 -1.0246 -1.0246 1.4457 1.4457 1.4810 1.4810 1.4879 1.4879 6.5003 6.5003 10.7904 10.7904 12.1029 12.1029 12.1505 12.1505 12.1861 12.1861 12.7681 12.7681 12.7758 12.7758 13.1415 13.1415 14.0816 14.0816 14.1318 14.1318 15.2161 15.2161 15.4990 15.4990 15.6431 15.6431 16.0563 16.0563 16.1058 16.1058 16.4323 16.4323 17.5872 17.5872 18.4631 18.4631 18.9863 18.9863 21.6434 21.6434 22.4114 22.4114 k = 0.2206 0.2206 0.2206 ( 2455 PWs) bands (ev): -1.0432 -1.0432 -1.0233 -1.0233 1.4465 1.4465 1.4823 1.4823 1.4912 1.4912 6.5744 6.5744 10.7504 10.7504 12.1024 12.1024 12.1791 12.1791 12.1820 12.1820 12.7974 12.7974 12.8071 12.8071 13.1449 13.1449 14.0187 14.0187 14.0843 14.0843 15.2111 15.2111 15.4654 15.4654 15.6042 15.6042 16.0179 16.0179 16.0966 16.0966 16.4300 16.4300 17.5811 17.5811 18.4661 18.4661 18.9745 18.9745 21.5792 21.5792 22.3415 22.3415 k = 0.2279 0.2279 0.2279 ( 2449 PWs) bands (ev): -1.0423 -1.0423 -1.0222 -1.0222 1.4471 1.4471 1.4835 1.4835 1.4944 1.4944 6.6483 6.6483 10.7099 10.7099 12.0961 12.0961 12.1780 12.1780 12.2163 12.2163 12.8260 12.8260 12.8383 12.8383 13.1544 13.1544 13.9576 13.9576 14.0378 14.0378 15.2085 15.2085 15.4211 15.4211 15.5783 15.5783 15.9821 15.9821 16.0891 16.0891 16.4276 16.4276 17.5753 17.5753 18.4646 18.4646 18.9577 18.9577 21.5014 21.5014 22.2713 22.2713 k = 0.2353 0.2353 0.2353 ( 2455 PWs) bands (ev): -1.0415 -1.0415 -1.0212 -1.0212 1.4474 1.4474 1.4848 1.4848 1.4973 1.4973 6.7213 6.7213 10.6699 10.6699 12.0885 12.0885 12.1738 12.1738 12.2567 12.2567 12.8536 12.8536 12.8693 12.8693 13.1697 13.1697 13.8988 13.8988 13.9927 13.9927 15.2080 15.2080 15.3676 15.3676 15.5641 15.5641 15.9489 15.9489 16.0836 16.0836 16.4253 16.4253 17.5696 17.5696 18.4586 18.4586 18.9360 18.9360 21.4123 21.4123 22.2010 22.2010 k = 0.2426 0.2426 0.2426 ( 2455 PWs) bands (ev): -1.0408 -1.0408 -1.0203 -1.0203 1.4475 1.4475 1.4860 1.4860 1.5001 1.5001 6.7932 6.7932 10.6319 10.6319 12.0805 12.0805 12.1693 12.1693 12.2983 12.2983 12.8801 12.8801 12.9001 12.9001 13.1910 13.1910 13.8433 13.8433 13.9494 13.9494 15.2092 15.2092 15.3089 15.3089 15.5581 15.5581 15.9180 15.9180 16.0798 16.0798 16.4231 16.4231 17.5640 17.5640 18.4483 18.4483 18.9093 18.9093 21.3135 21.3135 22.1307 22.1307 k = 0.2500 0.2500 0.2500 ( 2455 PWs) bands (ev): -1.0401 -1.0401 -1.0196 -1.0196 1.4474 1.4474 1.4872 1.4872 1.5027 1.5027 6.8634 6.8634 10.5966 10.5966 12.0723 12.0723 12.1645 12.1645 12.3401 12.3401 12.9051 12.9051 12.9306 12.9306 13.2180 13.2180 13.7916 13.7916 13.9085 13.9085 15.2120 15.2120 15.2476 15.2476 15.5575 15.5575 15.8894 15.8894 16.0779 16.0779 16.4209 16.4209 17.5586 17.5586 18.4334 18.4334 18.8777 18.8777 21.2068 21.2068 22.0608 22.0608 k = 0.2574 0.2574 0.2574 ( 2455 PWs) bands (ev): -1.0395 -1.0395 -1.0190 -1.0190 1.4470 1.4470 1.4883 1.4883 1.5051 1.5051 6.9315 6.9315 10.5652 10.5652 12.0641 12.0641 12.1591 12.1591 12.3813 12.3813 12.9283 12.9283 12.9608 12.9608 13.2504 13.2504 13.7446 13.7446 13.8708 13.8708 15.1854 15.1854 15.2159 15.2159 15.5607 15.5607 15.8631 15.8631 16.0778 16.0778 16.4188 16.4188 17.5532 17.5532 18.4142 18.4142 18.8413 18.8413 21.0935 21.0935 21.9915 21.9915 k = 0.2647 0.2647 0.2647 ( 2461 PWs) bands (ev): -1.0389 -1.0389 -1.0186 -1.0186 1.4464 1.4464 1.4895 1.4895 1.5072 1.5072 6.9967 6.9967 10.5386 10.5386 12.0558 12.0558 12.1528 12.1528 12.4213 12.4213 12.9494 12.9494 12.9906 12.9906 13.2873 13.2873 13.7030 13.7030 13.8374 13.8374 15.1231 15.1231 15.2208 15.2208 15.5667 15.5667 15.8392 15.8392 16.0795 16.0795 16.4168 16.4168 17.5478 17.5478 18.3907 18.3907 18.8003 18.8003 20.9748 20.9748 21.9232 21.9232 k = 0.2721 0.2721 0.2721 ( 2449 PWs) bands (ev): -1.0384 -1.0384 -1.0183 -1.0183 1.4456 1.4456 1.4906 1.4906 1.5092 1.5092 7.0588 7.0588 10.5174 10.5174 12.0472 12.0472 12.1455 12.1455 12.4597 12.4597 12.9682 12.9682 13.0201 13.0201 13.3275 13.3275 13.6674 13.6674 13.8096 13.8096 15.0615 15.0615 15.2265 15.2265 15.5744 15.5744 15.8181 15.8181 16.0827 16.0827 16.4149 16.4149 17.5424 17.5424 18.3630 18.3630 18.7547 18.7547 20.8516 20.8516 21.8564 21.8564 k = 0.2794 0.2794 0.2794 ( 2458 PWs) bands (ev): -1.0380 -1.0380 -1.0182 -1.0182 1.4444 1.4444 1.4917 1.4917 1.5109 1.5109 7.1171 7.1171 10.5025 10.5025 12.0383 12.0383 12.1369 12.1369 12.4965 12.4965 12.9846 12.9846 13.0492 13.0492 13.3691 13.3691 13.6384 13.6384 13.7897 13.7897 15.0010 15.0010 15.2329 15.2329 15.5826 15.5826 15.8002 15.8002 16.0874 16.0874 16.4130 16.4130 17.5369 17.5369 18.3313 18.3313 18.7049 18.7049 20.7248 20.7248 21.7914 21.7914 k = 0.2868 0.2868 0.2868 ( 2458 PWs) bands (ev): -1.0376 -1.0376 -1.0182 -1.0182 1.4431 1.4431 1.4928 1.4928 1.5125 1.5125 7.1712 7.1712 10.4943 10.4943 12.0289 12.0289 12.1267 12.1267 12.5316 12.5316 12.9986 12.9986 13.0779 13.0779 13.4088 13.4088 13.6162 13.6162 13.7807 13.7807 14.9419 14.9419 15.2398 15.2398 15.5900 15.5900 15.7863 15.7863 16.0933 16.0933 16.4111 16.4111 17.5311 17.5311 18.2957 18.2957 18.6511 18.6511 20.5950 20.5950 21.7285 21.7285 k = 0.2941 0.2941 0.2941 ( 2458 PWs) bands (ev): -1.0373 -1.0373 -1.0184 -1.0184 1.4415 1.4415 1.4938 1.4938 1.5138 1.5138 7.2207 7.2207 10.4933 10.4933 12.0189 12.0189 12.1147 12.1147 12.5651 12.5651 13.0104 13.0104 13.1063 13.1063 13.4423 13.4423 13.6012 13.6012 13.7868 13.7868 14.8846 14.8846 15.2471 15.2471 15.5953 15.5953 15.7775 15.7775 16.1003 16.1003 16.4091 16.4091 17.5251 17.5251 18.2566 18.2566 18.5937 18.5937 20.4629 20.4629 21.6681 21.6681 k = 0.3015 0.3015 0.3015 ( 2464 PWs) bands (ev): -1.0370 -1.0370 -1.0186 -1.0186 1.4397 1.4397 1.4948 1.4948 1.5149 1.5149 7.2652 7.2652 10.4999 10.4999 12.0080 12.0080 12.1007 12.1007 12.5976 12.5976 13.0204 13.0204 13.1343 13.1343 13.4660 13.4660 13.5929 13.5929 13.8113 13.8113 14.8293 14.8293 15.2548 15.2548 15.5970 15.5970 15.7747 15.7747 16.1079 16.1079 16.4072 16.4072 17.5186 17.5186 18.2142 18.2142 18.5330 18.5330 20.3290 20.3290 21.6103 21.6103 k = 0.3088 0.3088 0.3088 ( 2464 PWs) bands (ev): -1.0368 -1.0368 -1.0191 -1.0191 1.4378 1.4378 1.4959 1.4959 1.5158 1.5158 7.3045 7.3045 10.5142 10.5142 11.9962 11.9962 12.0846 12.0846 12.6292 12.6292 13.0295 13.0295 13.1622 13.1622 13.4792 13.4792 13.5911 13.5911 13.8544 13.8544 14.7763 14.7763 15.2627 15.2627 15.5946 15.5946 15.7779 15.7779 16.1160 16.1160 16.4052 16.4052 17.5116 17.5116 18.1690 18.1690 18.4695 18.4695 20.1939 20.1939 21.5555 21.5555 k = 0.3162 0.3162 0.3162 ( 2461 PWs) bands (ev): -1.0367 -1.0367 -1.0196 -1.0196 1.4356 1.4356 1.4968 1.4968 1.5166 1.5166 7.3385 7.3385 10.5361 10.5361 11.9833 11.9833 12.0663 12.0663 12.6604 12.6604 13.0381 13.0381 13.1900 13.1900 13.4842 13.4842 13.5950 13.5950 13.9131 13.9131 14.7257 14.7257 15.2708 15.2708 15.5883 15.5883 15.7864 15.7864 16.1241 16.1241 16.4032 16.4032 17.5037 17.5037 18.1214 18.1214 18.4038 18.4038 20.0580 20.0580 21.5036 21.5036 k = 0.3235 0.3235 0.3235 ( 2449 PWs) bands (ev): -1.0366 -1.0366 -1.0202 -1.0202 1.4333 1.4333 1.4978 1.4978 1.5171 1.5171 7.3672 7.3672 10.5655 10.5655 11.9693 11.9693 12.0459 12.0459 12.6917 12.6917 13.0472 13.0472 13.2181 13.2181 13.4845 13.4845 13.6041 13.6041 13.9833 13.9833 14.6778 14.6778 15.2790 15.2790 15.5792 15.5792 15.7988 15.7988 16.1319 16.1319 16.4012 16.4012 17.4948 17.4948 18.0719 18.0719 18.3365 18.3365 19.9219 19.9219 21.4548 21.4548 k = 0.3309 0.3309 0.3309 ( 2449 PWs) bands (ev): -1.0365 -1.0365 -1.0210 -1.0210 1.4308 1.4308 1.4987 1.4987 1.5175 1.5175 7.3906 7.3906 10.6020 10.6020 11.9540 11.9540 12.0235 12.0235 12.7234 12.7234 13.0571 13.0571 13.2467 13.2467 13.4825 13.4825 13.6175 13.6175 14.0615 14.0615 14.6327 14.6327 15.2873 15.2873 15.5682 15.5682 15.8135 15.8135 16.1389 16.1389 16.3993 16.3993 17.4844 17.4844 18.0211 18.0211 18.2681 18.2681 19.7861 19.7861 21.4091 21.4091 k = 0.3382 0.3382 0.3382 ( 2437 PWs) bands (ev): -1.0365 -1.0365 -1.0218 -1.0218 1.4282 1.4282 1.4995 1.4995 1.5177 1.5177 7.4090 7.4090 10.6451 10.6451 11.9377 11.9377 11.9993 11.9993 12.7562 12.7562 13.0685 13.0685 13.2761 13.2761 13.4797 13.4797 13.6347 13.6347 14.1453 14.1453 14.5906 14.5906 15.2956 15.2956 15.5562 15.5562 15.8292 15.8292 16.1445 16.1445 16.3975 16.3975 17.4721 17.4721 17.9698 17.9698 18.1993 18.1993 19.6511 19.6511 21.3665 21.3665 k = 0.3456 0.3456 0.3456 ( 2437 PWs) bands (ev): -1.0366 -1.0366 -1.0228 -1.0228 1.4255 1.4255 1.5004 1.5004 1.5177 1.5177 7.4226 7.4226 10.6940 10.6940 11.9202 11.9202 11.9736 11.9736 12.7903 12.7903 13.0814 13.0814 13.3067 13.3067 13.4770 13.4770 13.6551 13.6551 14.2330 14.2330 14.5515 14.5515 15.3038 15.3038 15.5437 15.5437 15.8448 15.8448 16.1484 16.1484 16.3961 16.3961 17.4574 17.4574 17.9188 17.9188 18.1310 18.1310 19.5174 19.5174 21.3269 21.3269 k = 0.3529 0.3529 0.3529 ( 2434 PWs) bands (ev): -1.0367 -1.0367 -1.0238 -1.0238 1.4228 1.4228 1.5012 1.5012 1.5176 1.5176 7.4320 7.4320 10.7480 10.7480 11.9017 11.9017 11.9468 11.9468 12.8262 12.8262 13.0960 13.0960 13.3387 13.3387 13.4745 13.4745 13.6785 13.6785 14.3231 14.3231 14.5156 14.5156 15.3118 15.3118 15.5311 15.5311 15.8594 15.8594 16.1500 16.1500 16.3954 16.3954 17.4395 17.4395 17.8690 17.8690 18.0637 18.0637 19.3858 19.3858 21.2902 21.2902 k = 0.3603 0.3603 0.3603 ( 2434 PWs) bands (ev): -1.0368 -1.0368 -1.0248 -1.0248 1.4199 1.4199 1.5019 1.5019 1.5174 1.5174 7.4375 7.4375 10.8060 10.8060 11.8824 11.8824 11.9191 11.9191 12.8644 12.8644 13.1121 13.1121 13.3721 13.3721 13.4726 13.4726 13.7046 13.7046 14.4145 14.4145 14.4829 14.4829 15.3195 15.3195 15.5185 15.5185 15.8720 15.8720 16.1488 16.1488 16.3955 16.3955 17.4175 17.4175 17.8216 17.8216 17.9983 17.9983 19.2568 19.2568 21.2562 21.2562 k = 0.3676 0.3676 0.3676 ( 2446 PWs) bands (ev): -1.0370 -1.0370 -1.0259 -1.0259 1.4171 1.4171 1.5026 1.5026 1.5171 1.5171 7.4396 7.4396 10.8672 10.8672 11.8624 11.8624 11.8910 11.8910 12.9051 12.9051 13.1294 13.1294 13.4063 13.4063 13.4721 13.4721 13.7332 13.7332 14.4529 14.4529 14.5069 14.5069 15.3267 15.3267 15.5061 15.5061 15.8819 15.8819 16.1443 16.1443 16.3971 16.3971 17.3906 17.3906 17.7775 17.7775 17.9354 17.9354 19.1312 19.1312 21.2248 21.2248 k = 0.3750 0.3750 0.3750 ( 2446 PWs) bands (ev): -1.0372 -1.0372 -1.0270 -1.0270 1.4142 1.4142 1.5033 1.5033 1.5167 1.5167 7.4388 7.4388 10.9304 10.9304 11.8420 11.8420 11.8627 11.8627 12.9486 12.9486 13.1478 13.1478 13.4370 13.4370 13.4775 13.4775 13.7643 13.7643 14.4266 14.4266 14.5979 14.5979 15.3332 15.3332 15.4940 15.4940 15.8887 15.8887 16.1362 16.1362 16.4004 16.4004 17.3579 17.3579 17.7376 17.7376 17.8759 17.8759 19.0099 19.0099 21.1958 21.1958 k = 0.3824 0.3824 0.3824 ( 2446 PWs) bands (ev): -1.0374 -1.0374 -1.0282 -1.0282 1.4114 1.4114 1.5039 1.5039 1.5162 1.5162 7.4355 7.4355 10.9947 10.9947 11.8214 11.8214 11.8346 11.8346 12.9950 12.9950 13.1668 13.1668 13.4505 13.4505 13.5026 13.5026 13.7978 13.7978 14.4033 14.4033 14.6871 14.6871 15.3388 15.3388 15.4821 15.4821 15.8917 15.8917 16.1242 16.1242 16.4060 16.4060 17.3189 17.3189 17.7025 17.7025 17.8203 17.8203 18.8936 18.8936 21.1689 21.1689 k = 0.3897 0.3897 0.3897 ( 2437 PWs) bands (ev): -1.0376 -1.0376 -1.0293 -1.0293 1.4085 1.4085 1.5045 1.5045 1.5156 1.5156 7.4303 7.4303 11.0589 11.0589 11.8009 11.8009 11.8070 11.8070 13.0445 13.0445 13.1860 13.1860 13.4517 13.4517 13.5428 13.5428 13.8338 13.8338 14.3828 14.3828 14.7733 14.7733 15.3433 15.3433 15.4703 15.4703 15.8910 15.8910 16.1081 16.1081 16.4142 16.4142 17.2737 17.2737 17.6721 17.6721 17.7692 17.7692 18.7832 18.7832 21.1439 21.1439 k = 0.3971 0.3971 0.3971 ( 2437 PWs) bands (ev): -1.0378 -1.0378 -1.0305 -1.0305 1.4058 1.4058 1.5050 1.5050 1.5150 1.5150 7.4236 7.4236 11.1221 11.1221 11.7801 11.7801 11.7805 11.7805 13.0967 13.0967 13.2051 13.2051 13.4502 13.4502 13.5885 13.5885 13.8723 13.8723 14.3651 14.3651 14.8551 14.8551 15.3464 15.3464 15.4586 15.4586 15.8867 15.8867 16.0879 16.0879 16.4254 16.4254 17.2228 17.2228 17.6461 17.6461 17.7230 17.7230 18.6796 18.6796 21.1206 21.1206 k = 0.4044 0.4044 0.4044 ( 2437 PWs) bands (ev): -1.0381 -1.0381 -1.0316 -1.0316 1.4031 1.4031 1.5055 1.5055 1.5144 1.5144 7.4157 7.4157 11.1833 11.1833 11.7542 11.7542 11.7607 11.7607 13.1511 13.1511 13.2238 13.2238 13.4487 13.4487 13.6379 13.6379 13.9131 13.9131 14.3499 14.3499 14.9307 14.9307 15.3475 15.3475 15.4467 15.4467 15.8793 15.8793 16.0640 16.0640 16.4397 16.4397 17.1670 17.1670 17.6238 17.6238 17.6818 17.6818 18.5834 18.5834 21.0985 21.0985 k = 0.4118 0.4118 0.4118 ( 2434 PWs) bands (ev): -1.0383 -1.0383 -1.0327 -1.0327 1.4006 1.4006 1.5060 1.5060 1.5137 1.5137 7.4071 7.4071 11.2417 11.2417 11.7295 11.7295 11.7416 11.7416 13.2063 13.2063 13.2417 13.2417 13.4487 13.4487 13.6904 13.6904 13.9564 13.9564 14.3371 14.3371 14.9988 14.9988 15.3464 15.3464 15.4345 15.4345 15.8697 15.8697 16.0369 16.0369 16.4572 16.4572 17.1073 17.1073 17.6045 17.6045 17.6459 17.6459 18.4954 18.4954 21.0774 21.0774 k = 0.4191 0.4191 0.4191 ( 2440 PWs) bands (ev): -1.0386 -1.0386 -1.0338 -1.0338 1.3981 1.3981 1.5064 1.5064 1.5130 1.5130 7.3981 7.3981 11.2966 11.2966 11.7062 11.7062 11.7233 11.7233 13.2586 13.2586 13.2594 13.2594 13.4529 13.4529 13.7459 13.7459 14.0017 14.0017 14.3263 14.3263 15.0574 15.0574 15.3425 15.3425 15.4214 15.4214 15.8591 15.8591 16.0074 16.0074 16.4780 16.4780 17.0450 17.0450 17.5876 17.5876 17.6149 17.6149 18.4158 18.4158 21.0567 21.0567 k = 0.4265 0.4265 0.4265 ( 2440 PWs) bands (ev): -1.0388 -1.0388 -1.0348 -1.0348 1.3958 1.3958 1.5068 1.5068 1.5124 1.5124 7.3889 7.3889 11.3474 11.3474 11.6845 11.6845 11.7062 11.7062 13.2742 13.2742 13.3051 13.3051 13.4662 13.4662 13.8040 13.8040 14.0490 14.0490 14.3176 14.3176 15.1052 15.1052 15.3353 15.3353 15.4068 15.4068 15.8487 15.8487 15.9765 15.9765 16.5018 16.5018 16.9815 16.9815 17.5726 17.5726 17.5888 17.5888 18.3449 18.3449 21.0362 21.0362 k = 0.4338 0.4338 0.4338 ( 2434 PWs) bands (ev): -1.0391 -1.0391 -1.0358 -1.0358 1.3937 1.3937 1.5071 1.5071 1.5117 1.5117 7.3799 7.3799 11.3936 11.3936 11.6644 11.6644 11.6904 11.6904 13.2886 13.2886 13.3362 13.3362 13.4948 13.4948 13.8644 13.8644 14.0978 14.0978 14.3108 14.3108 15.1414 15.1414 15.3243 15.3243 15.3899 15.3899 15.8393 15.8393 15.9455 15.9455 16.5284 16.5284 16.9187 16.9187 17.5593 17.5593 17.5671 17.5671 18.2824 18.2824 21.0151 21.0151 k = 0.4412 0.4412 0.4412 ( 2440 PWs) bands (ev): -1.0393 -1.0393 -1.0367 -1.0367 1.3917 1.3917 1.5074 1.5074 1.5111 1.5111 7.3713 7.3713 11.4350 11.4350 11.6462 11.6462 11.6761 11.6761 13.3014 13.3014 13.3516 13.3516 13.5388 13.5388 13.9265 13.9265 14.1476 14.1476 14.3060 14.3060 15.1659 15.1659 15.3093 15.3093 15.3697 15.3697 15.8316 15.8316 15.9156 15.9156 16.5572 16.5572 16.8584 16.8584 17.5473 17.5473 17.5494 17.5494 18.2281 18.2281 20.9931 20.9931 k = 0.4485 0.4485 0.4485 ( 2446 PWs) bands (ev): -1.0395 -1.0395 -1.0375 -1.0375 1.3899 1.3899 1.5077 1.5077 1.5105 1.5105 7.3632 7.3632 11.4711 11.4711 11.6299 11.6299 11.6635 11.6635 13.3127 13.3127 13.3570 13.3570 13.5912 13.5912 13.9888 13.9888 14.1976 14.1976 14.3040 14.3040 15.1799 15.1799 15.2901 15.2901 15.3455 15.3455 15.8254 15.8254 15.8879 15.8879 16.5872 16.5872 16.8027 16.8027 17.5352 17.5352 17.5366 17.5366 18.1815 18.1815 20.9695 20.9695 k = 0.4559 0.4559 0.4559 ( 2455 PWs) bands (ev): -1.0397 -1.0397 -1.0382 -1.0382 1.3883 1.3883 1.5079 1.5079 1.5100 1.5100 7.3559 7.3559 11.5019 11.5019 11.6156 11.6156 11.6528 11.6528 13.3225 13.3225 13.3577 13.3577 13.6453 13.6453 14.0488 14.0488 14.2470 14.2470 14.3061 14.3061 15.1854 15.1854 15.2672 15.2672 15.3167 15.3167 15.8201 15.8201 15.8634 15.8634 16.6161 16.6161 16.7546 16.7546 17.5240 17.5240 17.5271 17.5271 18.1421 18.1421 20.9444 20.9444 k = 0.4632 0.4632 0.4632 ( 2449 PWs) bands (ev): -1.0399 -1.0399 -1.0388 -1.0388 1.3870 1.3870 1.5081 1.5081 1.5096 1.5096 7.3495 7.3495 11.5272 11.5272 11.6034 11.6034 11.6442 11.6442 13.3308 13.3308 13.3564 13.3564 13.6969 13.6969 14.1023 14.1023 14.2943 14.2943 14.3151 14.3151 15.1846 15.1846 15.2416 15.2416 15.2838 15.2838 15.8152 15.8152 15.8427 15.8427 16.6386 16.6386 16.7195 16.7195 17.5154 17.5154 17.5189 17.5189 18.1094 18.1094 20.9180 20.9180 k = 0.4706 0.4706 0.4706 ( 2443 PWs) bands (ev): -1.0400 -1.0400 -1.0393 -1.0393 1.3859 1.3859 1.5082 1.5082 1.5092 1.5092 7.3441 7.3441 11.5469 11.5469 11.5933 11.5933 11.6381 11.6381 13.3375 13.3375 13.3544 13.3544 13.7434 13.7434 14.1432 14.1432 14.3346 14.3346 14.3381 14.3381 15.1800 15.1800 15.2149 15.2149 15.2483 15.2483 15.8102 15.8102 15.8261 15.8261 16.6404 16.6404 16.7109 16.7109 17.5089 17.5089 17.5119 17.5119 18.0829 18.0829 20.8917 20.8917 k = 0.4779 0.4779 0.4779 ( 2440 PWs) bands (ev): -1.0401 -1.0401 -1.0397 -1.0397 1.3850 1.3850 1.5084 1.5084 1.5089 1.5089 7.3398 7.3398 11.5608 11.5608 11.5854 11.5854 11.6345 11.6345 13.3427 13.3427 13.3524 13.3524 13.7823 13.7823 14.1681 14.1681 14.3645 14.3645 14.3762 14.3762 15.1736 15.1736 15.1895 15.1895 15.2128 15.2128 15.8055 15.8055 15.8134 15.8134 16.6242 16.6242 16.7246 16.7246 17.5043 17.5043 17.5063 17.5063 18.0625 18.0625 20.8674 20.8674 k = 0.4853 0.4853 0.4853 ( 2440 PWs) bands (ev): -1.0402 -1.0402 -1.0400 -1.0400 1.3844 1.3844 1.5084 1.5084 1.5087 1.5087 7.3367 7.3367 11.5695 11.5695 11.5798 11.5798 11.6331 11.6331 13.3464 13.3464 13.3508 13.3508 13.8119 13.8119 14.1803 14.1803 14.3974 14.3974 14.4062 14.4062 15.1669 15.1669 15.1682 15.1682 15.1819 15.1819 15.8015 15.8015 15.8046 15.8046 16.6083 16.6083 16.7406 16.7406 17.5011 17.5011 17.5022 17.5022 18.0479 18.0479 20.8476 20.8476 k = 0.4926 0.4926 0.4926 ( 2440 PWs) bands (ev): -1.0402 -1.0402 -1.0402 -1.0402 1.3840 1.3840 1.5085 1.5085 1.5086 1.5086 7.3348 7.3348 11.5739 11.5739 11.5764 11.5764 11.6330 11.6330 13.3486 13.3486 13.3497 13.3497 13.8305 13.8305 14.1851 14.1851 14.4228 14.4228 14.4256 14.4256 15.1539 15.1539 15.1561 15.1561 15.1662 15.1662 15.7987 15.7987 15.7995 15.7995 16.5981 16.5981 16.7517 16.7517 17.4993 17.4993 17.4996 17.4996 18.0392 18.0392 20.8346 20.8346 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -1.0403 -1.0403 -1.0403 -1.0403 1.3839 1.3839 1.5085 1.5085 1.5085 1.5085 7.3342 7.3342 11.5752 11.5752 11.5752 11.5752 11.6331 11.6331 13.3494 13.3494 13.3494 13.3494 13.8368 13.8368 14.1863 14.1863 14.4323 14.4323 14.4323 14.4323 15.1489 15.1489 15.1489 15.1489 15.1638 15.1638 15.7978 15.7978 15.7978 15.7978 16.5947 16.5947 16.7556 16.7556 17.4987 17.4987 17.4987 17.4987 18.0362 18.0362 20.8301 20.8301 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -1.0403 -1.0403 -1.0403 -1.0403 1.3839 1.3839 1.5085 1.5085 1.5085 1.5085 7.3342 7.3342 11.5752 11.5752 11.5752 11.5752 11.6331 11.6331 13.3494 13.3494 13.3494 13.3494 13.8368 13.8368 14.1863 14.1863 14.4323 14.4323 14.4323 14.4323 15.1489 15.1489 15.1489 15.1489 15.1638 15.1638 15.7978 15.7978 15.7978 15.7978 16.5947 16.5947 16.7556 16.7556 17.4987 17.4987 17.4987 17.4987 18.0362 18.0362 20.8301 20.8301 k = 0.4909 0.5000 0.4909 ( 2440 PWs) bands (ev): -1.0402 -1.0402 -1.0402 -1.0402 1.3840 1.3840 1.5085 1.5085 1.5086 1.5086 7.3348 7.3348 11.5740 11.5740 11.5762 11.5762 11.6330 11.6330 13.3487 13.3487 13.3497 13.3497 13.8304 13.8304 14.1851 14.1851 14.4221 14.4221 14.4261 14.4261 15.1533 15.1533 15.1565 15.1565 15.1668 15.1668 15.7981 15.7981 15.8001 15.8001 16.5982 16.5982 16.7516 16.7516 17.4990 17.4990 17.5000 17.5000 18.0392 18.0392 20.8347 20.8347 k = 0.4818 0.5000 0.4818 ( 2440 PWs) bands (ev): -1.0402 -1.0402 -1.0400 -1.0400 1.3844 1.3844 1.5084 1.5084 1.5087 1.5087 7.3367 7.3367 11.5704 11.5704 11.5788 11.5788 11.6331 11.6331 13.3466 13.3466 13.3505 13.3505 13.8115 13.8115 14.1804 14.1804 14.3935 14.3935 14.4088 14.4088 15.1575 15.1575 15.1776 15.1776 15.1832 15.1832 15.7991 15.7991 15.8071 15.8071 16.6087 16.6087 16.7402 16.7402 17.4997 17.4997 17.5037 17.5037 18.0481 18.0481 20.8481 20.8481 k = 0.4727 0.5000 0.4727 ( 2440 PWs) bands (ev): -1.0401 -1.0401 -1.0397 -1.0397 1.3850 1.3850 1.5083 1.5083 1.5090 1.5090 7.3399 7.3399 11.5642 11.5642 11.5817 11.5817 11.6348 11.6348 13.3432 13.3432 13.3518 13.3518 13.7815 13.7815 14.1690 14.1690 14.3524 14.3524 14.3846 14.3846 15.1580 15.1580 15.2071 15.2071 15.2135 15.2135 15.8006 15.8006 15.8182 15.8182 16.6257 16.6257 16.7226 16.7226 17.5010 17.5010 17.5099 17.5099 18.0631 18.0631 20.8687 20.8687 k = 0.4636 0.5000 0.4636 ( 2444 PWs) bands (ev): -1.0399 -1.0399 -1.0393 -1.0393 1.3859 1.3859 1.5081 1.5081 1.5093 1.5093 7.3443 7.3443 11.5550 11.5550 11.5825 11.5825 11.6406 11.6406 13.3383 13.3383 13.3534 13.3534 13.7424 13.7424 14.1459 14.1459 14.3057 14.3057 14.3595 14.3595 15.1569 15.1569 15.2394 15.2394 15.2519 15.2519 15.8025 15.8025 15.8327 15.8327 16.6480 16.6480 16.7021 16.7021 17.5033 17.5033 17.5183 17.5183 18.0840 18.0840 20.8947 20.8947 k = 0.4545 0.5000 0.4545 ( 2454 PWs) bands (ev): -1.0398 -1.0398 -1.0389 -1.0389 1.3871 1.3871 1.5079 1.5079 1.5098 1.5098 7.3499 7.3499 11.5427 11.5427 11.5797 11.5797 11.6522 11.6522 13.3317 13.3317 13.3550 13.3550 13.6962 13.6962 14.1068 14.1068 14.2585 14.2585 14.3391 14.3391 15.1540 15.1540 15.2709 15.2709 15.2936 15.2936 15.8049 15.8049 15.8498 15.8498 16.6624 16.6624 16.6933 16.6933 17.5068 17.5068 17.5290 17.5290 18.1108 18.1108 20.9236 20.9236 k = 0.4455 0.5000 0.4455 ( 2454 PWs) bands (ev): -1.0396 -1.0396 -1.0383 -1.0383 1.3884 1.3884 1.5077 1.5077 1.5103 1.5103 7.3565 7.3565 11.5271 11.5271 11.5733 11.5733 11.6696 11.6696 13.3233 13.3233 13.3561 13.3561 13.6456 13.6456 14.0529 14.0529 14.2119 14.2119 14.3264 14.3264 15.1482 15.1482 15.2991 15.2991 15.3349 15.3349 15.8078 15.8078 15.8684 15.8684 16.6456 16.6456 16.7215 16.7215 17.5123 17.5123 17.5421 17.5421 18.1435 18.1435 20.9535 20.9535 k = 0.4364 0.5000 0.4364 ( 2446 PWs) bands (ev): -1.0393 -1.0393 -1.0376 -1.0376 1.3900 1.3900 1.5074 1.5074 1.5109 1.5109 7.3642 7.3642 11.5080 11.5080 11.5639 11.5639 11.6919 11.6919 13.3126 13.3126 13.3561 13.3561 13.5931 13.5931 13.9897 13.9897 14.1655 14.1655 14.3204 14.3204 15.1383 15.1383 15.3223 15.3223 15.3731 15.3731 15.8117 15.8117 15.8873 15.8873 16.6251 16.6251 16.7604 16.7604 17.5204 17.5204 17.5581 17.5581 18.1817 18.1817 20.9826 20.9826 k = 0.4273 0.5000 0.4273 ( 2442 PWs) bands (ev): -1.0391 -1.0391 -1.0368 -1.0368 1.3918 1.3918 1.5070 1.5070 1.5116 1.5116 7.3727 7.3727 11.4855 11.4855 11.5520 11.5520 11.7186 11.7186 13.2988 13.2988 13.3538 13.3538 13.5419 13.5419 13.9224 13.9224 14.1190 14.1190 14.3190 14.3190 15.1224 15.1224 15.3402 15.3402 15.4063 15.4063 15.8176 15.8176 15.9052 15.9052 16.6079 16.6079 16.8034 16.8034 17.5321 17.5321 17.5773 17.5773 18.2248 18.2248 21.0098 21.0098 k = 0.4182 0.5000 0.4182 ( 2442 PWs) bands (ev): -1.0388 -1.0388 -1.0360 -1.0360 1.3938 1.3938 1.5066 1.5066 1.5124 1.5124 7.3819 7.3819 11.4596 11.4596 11.5377 11.5377 11.7492 11.7492 13.2804 13.2804 13.3481 13.3481 13.4959 13.4959 13.8548 13.8548 14.0727 14.0727 14.3207 14.3207 15.0985 15.0985 15.3533 15.3533 15.4334 15.4334 15.8262 15.8262 15.9211 15.9211 16.5953 16.5953 16.8485 16.8485 17.5485 17.5485 17.6004 17.6004 18.2720 18.2720 21.0342 21.0342 k = 0.4091 0.5000 0.4091 ( 2434 PWs) bands (ev): -1.0385 -1.0385 -1.0350 -1.0350 1.3960 1.3960 1.5062 1.5062 1.5132 1.5132 7.3918 7.3918 11.4305 11.4305 11.5212 11.5212 11.7834 11.7834 13.2556 13.2556 13.3378 13.3378 13.4584 13.4584 13.7896 13.7896 14.0273 14.0273 14.3246 14.3246 15.0648 15.0648 15.3627 15.3627 15.4544 15.4544 15.8380 15.8380 15.9342 15.9342 16.5869 16.5869 16.8941 16.8941 17.5710 17.5710 17.6285 17.6285 18.3225 18.3225 21.0553 21.0553 k = 0.4000 0.5000 0.4000 ( 2438 PWs) bands (ev): -1.0381 -1.0381 -1.0341 -1.0341 1.3984 1.3984 1.5057 1.5057 1.5141 1.5141 7.4021 7.4021 11.3981 11.3981 11.5024 11.5024 11.8210 11.8210 13.2233 13.2233 13.3236 13.3236 13.4299 13.4299 13.7291 13.7291 13.9830 13.9830 14.3304 14.3304 15.0201 15.0201 15.3700 15.3700 15.4698 15.4698 15.8529 15.8529 15.9439 15.9439 16.5816 16.5816 16.9384 16.9384 17.6008 17.6008 17.6624 17.6624 18.3750 18.3750 21.0727 21.0727 k = 0.3909 0.5000 0.3909 ( 2438 PWs) bands (ev): -1.0377 -1.0377 -1.0330 -1.0330 1.4009 1.4009 1.5051 1.5051 1.5150 1.5150 7.4126 7.4126 11.3625 11.3625 11.4813 11.4813 11.8617 11.8617 13.1845 13.1845 13.3076 13.3076 13.4063 13.4063 13.6754 13.6754 13.9404 13.9404 14.3382 14.3382 14.9643 14.9643 15.3766 15.3766 15.4806 15.4806 15.8699 15.8699 15.9501 15.9501 16.5773 16.5773 16.9800 16.9800 17.6391 17.6391 17.7032 17.7032 18.4281 18.4281 21.0865 21.0865 k = 0.3818 0.5000 0.3818 ( 2442 PWs) bands (ev): -1.0374 -1.0374 -1.0320 -1.0320 1.4035 1.4035 1.5045 1.5045 1.5160 1.5160 7.4231 7.4231 11.3239 11.3239 11.4583 11.4583 11.9053 11.9053 13.1421 13.1421 13.2912 13.2912 13.3825 13.3825 13.6306 13.6306 13.8999 13.8999 14.3478 14.3478 14.8985 14.8985 15.3832 15.3832 15.4880 15.4880 15.8878 15.8878 15.9532 15.9532 16.5724 16.5724 17.0172 17.0172 17.6866 17.6866 17.7522 17.7522 18.4807 18.4807 21.0967 21.0967 k = 0.3727 0.5000 0.3727 ( 2438 PWs) bands (ev): -1.0370 -1.0370 -1.0309 -1.0309 1.4063 1.4063 1.5038 1.5038 1.5170 1.5170 7.4335 7.4335 11.2824 11.2824 11.4336 11.4336 11.9517 11.9517 13.0987 13.0987 13.2748 13.2748 13.3552 13.3552 13.5954 13.5954 13.8619 13.8619 14.3594 14.3594 14.8243 14.8243 15.3902 15.3902 15.4930 15.4930 15.9052 15.9052 15.9538 15.9538 16.5652 16.5652 17.0490 17.0490 17.7429 17.7429 17.8109 17.8109 18.5314 18.5314 21.1040 21.1040 k = 0.3636 0.5000 0.3636 ( 2438 PWs) bands (ev): -1.0366 -1.0366 -1.0298 -1.0298 1.4092 1.4092 1.5031 1.5031 1.5180 1.5180 7.4435 7.4435 11.2381 11.2381 11.4075 11.4075 12.0007 12.0007 13.0557 13.0557 13.2581 13.2581 13.3244 13.3244 13.5686 13.5686 13.8270 13.8270 14.3730 14.3730 14.7441 14.7441 15.3974 15.3974 15.4967 15.4967 15.9197 15.9197 15.9534 15.9534 16.5548 16.5548 17.0748 17.0748 17.8064 17.8064 17.8808 17.8808 18.5791 18.5791 21.1087 21.1087 k = 0.3545 0.5000 0.3545 ( 2438 PWs) bands (ev): -1.0362 -1.0362 -1.0287 -1.0287 1.4121 1.4121 1.5023 1.5023 1.5190 1.5190 7.4528 7.4528 11.1911 11.1911 11.3807 11.3807 12.0519 12.0519 13.0138 13.0138 13.2407 13.2407 13.2922 13.2922 13.5478 13.5478 13.7956 13.7956 14.3879 14.3879 14.6605 14.6605 15.4044 15.4044 15.5000 15.5000 15.9262 15.9262 15.9568 15.9568 16.5409 16.5409 17.0947 17.0947 17.8754 17.8754 17.9629 17.9629 18.6229 18.6229 21.1114 21.1114 k = 0.3455 0.5000 0.3455 ( 2424 PWs) bands (ev): -1.0357 -1.0357 -1.0276 -1.0276 1.4151 1.4151 1.5014 1.5014 1.5200 1.5200 7.4613 7.4613 11.1416 11.1416 11.3538 11.3538 12.1052 12.1052 12.9729 12.9729 13.2220 13.2220 13.2617 13.2617 13.5303 13.5303 13.7679 13.7679 14.4014 14.4014 14.5785 14.5785 15.4104 15.4104 15.5038 15.5038 15.9220 15.9220 15.9665 15.9665 16.5233 16.5233 17.1093 17.1093 17.9490 17.9490 18.0568 18.0568 18.6624 18.6624 21.1126 21.1126 k = 0.3364 0.5000 0.3364 ( 2428 PWs) bands (ev): -1.0353 -1.0353 -1.0265 -1.0265 1.4182 1.4182 1.5005 1.5005 1.5209 1.5209 7.4686 7.4686 11.0897 11.0897 11.3274 11.3274 12.1603 12.1603 12.9328 12.9328 13.2012 13.2012 13.2354 13.2354 13.5140 13.5140 13.7438 13.7438 14.3997 14.3997 14.5137 14.5137 15.4147 15.4147 15.5091 15.5091 15.9114 15.9114 15.9780 15.9780 16.5025 16.5025 17.1191 17.1191 18.0266 18.0266 18.1610 18.1610 18.6973 18.6973 21.1128 21.1128 k = 0.3273 0.5000 0.3273 ( 2428 PWs) bands (ev): -1.0349 -1.0349 -1.0254 -1.0254 1.4213 1.4213 1.4995 1.4995 1.5219 1.5219 7.4745 7.4745 11.0357 11.0357 11.3023 11.3023 12.2168 12.2168 12.8932 12.8932 13.1783 13.1783 13.2148 13.2148 13.4979 13.4979 13.7227 13.7227 14.3505 14.3505 14.5001 14.5001 15.4166 15.4166 15.5166 15.5166 15.8970 15.8970 15.9888 15.9888 16.4789 16.4789 17.1251 17.1251 18.1079 18.1079 18.2737 18.2737 18.7279 18.7279 21.1122 21.1122 k = 0.3182 0.5000 0.3182 ( 2432 PWs) bands (ev): -1.0345 -1.0345 -1.0243 -1.0243 1.4244 1.4244 1.4984 1.4984 1.5227 1.5227 7.4788 7.4788 10.9796 10.9796 11.2792 11.2792 12.2744 12.2744 12.8541 12.8541 13.1541 13.1541 13.1993 13.1993 13.4820 13.4820 13.7036 13.7036 14.2730 14.2730 14.5204 14.5204 15.4159 15.4159 15.5265 15.5265 15.8794 15.8794 15.9981 15.9981 16.4531 16.4531 17.1278 17.1278 18.1925 18.1925 18.3930 18.3930 18.7549 18.7549 21.1113 21.1113 k = 0.3091 0.5000 0.3091 ( 2432 PWs) bands (ev): -1.0342 -1.0342 -1.0233 -1.0233 1.4276 1.4276 1.4973 1.4973 1.5236 1.5236 7.4813 7.4813 10.9218 10.9218 11.2590 11.2590 12.3327 12.3327 12.8156 12.8156 13.1290 13.1290 13.1885 13.1885 13.4666 13.4666 13.6849 13.6849 14.1919 14.1919 14.5519 14.5519 15.4129 15.4129 15.5386 15.5386 15.8589 15.8589 16.0057 16.0057 16.4258 16.4258 17.1279 17.1279 18.2794 18.2794 18.5166 18.5166 18.7805 18.7805 21.1103 21.1103 k = 0.3000 0.5000 0.3000 ( 2424 PWs) bands (ev): -1.0338 -1.0338 -1.0223 -1.0223 1.4307 1.4307 1.4961 1.4961 1.5243 1.5243 7.4818 7.4818 10.8624 10.8624 11.2422 11.2422 12.3911 12.3911 12.7783 12.7783 13.1029 13.1029 13.1819 13.1819 13.4524 13.4524 13.6643 13.6643 14.1147 14.1147 14.5892 14.5892 15.4078 15.4078 15.5523 15.5523 15.8358 15.8358 16.0115 16.0115 16.3977 16.3977 17.1259 17.1259 18.3670 18.3670 18.6396 18.6396 18.8102 18.8102 21.1095 21.1095 k = 0.2909 0.5000 0.2909 ( 2436 PWs) bands (ev): -1.0335 -1.0335 -1.0214 -1.0214 1.4338 1.4338 1.4949 1.4949 1.5250 1.5250 7.4801 7.4801 10.8016 10.8016 11.2296 11.2296 12.4484 12.4484 12.7431 12.7431 13.0755 13.0755 13.1790 13.1790 13.4397 13.4397 13.6397 13.6397 14.0452 14.0452 14.6310 14.6310 15.4011 15.4011 15.5671 15.5671 15.8102 15.8102 16.0155 16.0155 16.3694 16.3694 17.1222 17.1222 18.4526 18.4526 18.7440 18.7440 18.8640 18.8640 21.1091 21.1091 k = 0.2818 0.5000 0.2818 ( 2436 PWs) bands (ev): -1.0332 -1.0332 -1.0205 -1.0205 1.4369 1.4369 1.4936 1.4936 1.5256 1.5256 7.4761 7.4761 10.7396 10.7396 11.2216 11.2216 12.5023 12.5023 12.7126 12.7126 13.0467 13.0467 13.1788 13.1788 13.4288 13.4288 13.6092 13.6092 13.9868 13.9868 14.6766 14.6766 15.3931 15.3931 15.5822 15.5822 15.7826 15.7826 16.0174 16.0174 16.3418 16.3418 17.1173 17.1173 18.5308 18.5308 18.8068 18.8068 18.9699 18.9699 21.1093 21.1093 k = 0.2727 0.5000 0.2727 ( 2442 PWs) bands (ev): -1.0330 -1.0330 -1.0197 -1.0197 1.4399 1.4399 1.4922 1.4922 1.5260 1.5260 7.4698 7.4698 10.6767 10.6767 11.2187 11.2187 12.5461 12.5461 12.6933 12.6933 13.0166 13.0166 13.1804 13.1804 13.4188 13.4188 13.5728 13.5728 13.9414 13.9414 14.7254 14.7254 15.3841 15.3841 15.5968 15.5968 15.7537 15.7537 16.0172 16.0172 16.3156 16.3156 17.1113 17.1113 18.5937 18.5937 18.8591 18.8591 19.1042 19.1042 21.1104 21.1104 k = 0.2636 0.5000 0.2636 ( 2438 PWs) bands (ev): -1.0328 -1.0328 -1.0189 -1.0189 1.4429 1.4429 1.4907 1.4907 1.5264 1.5264 7.4612 7.4612 10.6131 10.6131 11.2212 11.2212 12.5640 12.5640 12.7007 12.7007 12.9853 12.9853 13.1822 13.1822 13.4067 13.4067 13.5346 13.5346 13.9091 13.9091 14.7769 14.7769 15.3742 15.3742 15.6089 15.6089 15.7251 15.7251 16.0147 16.0147 16.2918 16.2918 17.1048 17.1048 18.6346 18.6346 18.9265 18.9265 19.2480 19.2480 21.1127 21.1127 k = 0.2545 0.5000 0.2545 ( 2458 PWs) bands (ev): -1.0326 -1.0326 -1.0182 -1.0182 1.4458 1.4458 1.4892 1.4892 1.5267 1.5267 7.4502 7.4502 10.5490 10.5490 11.2293 11.2293 12.5526 12.5526 12.7382 12.7382 12.9531 12.9531 13.1822 13.1822 13.3859 13.3859 13.5049 13.5049 13.8882 13.8882 14.8305 14.8305 15.3636 15.3636 15.6138 15.6138 15.7016 15.7016 16.0094 16.0094 16.2713 16.2713 17.0979 17.0979 18.6553 18.6553 19.0116 19.0116 19.3965 19.3965 21.1163 21.1163 k = 0.2455 0.5000 0.2455 ( 2458 PWs) bands (ev): -1.0325 -1.0325 -1.0176 -1.0176 1.4487 1.4487 1.4876 1.4876 1.5269 1.5269 7.4370 7.4370 10.4847 10.4847 11.2431 11.2431 12.5286 12.5286 12.7888 12.7888 12.9202 12.9202 13.1772 13.1772 13.3531 13.3531 13.4925 13.4925 13.8762 13.8762 14.8855 14.8855 15.3524 15.3524 15.6030 15.6030 15.6915 15.6915 16.0014 16.0014 16.2549 16.2549 17.0910 17.0910 18.6625 18.6625 19.1092 19.1092 19.5482 19.5482 21.1215 21.1215 k = 0.2364 0.5000 0.2364 ( 2454 PWs) bands (ev): -1.0325 -1.0325 -1.0170 -1.0170 1.4515 1.4515 1.4859 1.4859 1.5269 1.5269 7.4216 7.4216 10.4204 10.4204 11.2625 11.2625 12.5010 12.5010 12.8430 12.8430 12.8872 12.8872 13.1620 13.1620 13.3178 13.3178 13.4952 13.4952 13.8711 13.8711 14.9409 14.9409 15.3406 15.3406 15.5763 15.5763 15.6949 15.6949 15.9905 15.9905 16.2435 16.2435 17.0844 17.0844 18.6619 18.6619 19.2144 19.2144 19.7024 19.7024 21.1286 21.1286 k = 0.2273 0.5000 0.2273 ( 2458 PWs) bands (ev): -1.0325 -1.0325 -1.0164 -1.0164 1.4542 1.4542 1.4842 1.4842 1.5269 1.5269 7.4043 7.4043 10.3564 10.3564 11.2875 11.2875 12.4726 12.4726 12.8527 12.8527 12.8993 12.8993 13.1311 13.1311 13.2928 13.2928 13.5070 13.5070 13.8714 13.8714 14.9958 14.9958 15.3283 15.3283 15.5417 15.5417 15.7036 15.7036 15.9772 15.9772 16.2374 16.2374 17.0785 17.0785 18.6567 18.6567 19.3242 19.3242 19.8585 19.8585 21.1377 21.1377 k = 0.2182 0.5000 0.2182 ( 2450 PWs) bands (ev): -1.0326 -1.0326 -1.0159 -1.0159 1.4568 1.4568 1.4824 1.4824 1.5267 1.5267 7.3853 7.3853 10.2929 10.2929 11.3179 11.3179 12.4445 12.4445 12.8195 12.8195 12.9534 12.9534 13.0858 13.0858 13.2810 13.2810 13.5244 13.5244 13.8763 13.8763 15.0488 15.0488 15.3157 15.3157 15.5042 15.5042 15.7126 15.7126 15.9623 15.9623 16.2371 16.2371 17.0736 17.0736 18.6489 18.6489 19.4371 19.4371 20.0161 20.0161 21.1493 21.1493 k = 0.2091 0.5000 0.2091 ( 2450 PWs) bands (ev): -1.0327 -1.0327 -1.0154 -1.0154 1.4593 1.4593 1.4806 1.4806 1.5264 1.5264 7.3647 7.3647 10.2301 10.2301 11.3534 11.3534 12.4168 12.4168 12.7862 12.7862 13.0021 13.0021 13.0371 13.0371 13.2782 13.2782 13.5455 13.5455 13.8851 13.8851 15.0983 15.0983 15.3030 15.3030 15.4662 15.4662 15.7192 15.7192 15.9466 15.9466 16.2425 16.2425 17.0701 17.0701 18.6398 18.6398 19.5518 19.5518 20.1749 20.1749 21.1637 21.1637 k = 0.2000 0.5000 0.2000 ( 2454 PWs) bands (ev): -1.0329 -1.0329 -1.0150 -1.0150 1.4617 1.4617 1.4788 1.4788 1.5261 1.5261 7.3428 7.3428 10.1682 10.1682 11.3936 11.3936 12.3899 12.3899 12.7533 12.7533 12.9724 12.9724 13.0623 13.0623 13.2804 13.2804 13.5690 13.5690 13.8977 13.8977 15.1414 15.1414 15.2913 15.2913 15.4296 15.4296 15.7220 15.7220 15.9313 15.9313 16.2537 16.2537 17.0685 17.0685 18.6304 18.6304 19.6676 19.6676 20.3346 20.3346 21.1812 21.1812 k = 0.1909 0.5000 0.1909 ( 2466 PWs) bands (ev): -1.0332 -1.0332 -1.0146 -1.0146 1.4640 1.4640 1.4769 1.4769 1.5256 1.5256 7.3200 7.3200 10.1075 10.1075 11.4381 11.4381 12.3636 12.3636 12.7208 12.7208 12.9176 12.9176 13.1106 13.1106 13.2862 13.2862 13.5940 13.5940 13.9138 13.9138 15.1728 15.1728 15.2836 15.2836 15.3964 15.3964 15.7199 15.7199 15.9171 15.9171 16.2706 16.2706 17.0695 17.0695 18.6212 18.6212 19.7839 19.7839 20.4946 20.4946 21.2023 21.2023 k = 0.1818 0.5000 0.1818 ( 2462 PWs) bands (ev): -1.0336 -1.0336 -1.0143 -1.0143 1.4661 1.4661 1.4750 1.4750 1.5251 1.5251 7.2963 7.2963 10.0482 10.0482 11.4865 11.4865 12.3379 12.3379 12.6890 12.6890 12.8639 12.8639 13.1564 13.1564 13.2953 13.2953 13.6196 13.6196 13.9333 13.9333 15.1841 15.1841 15.2847 15.2847 15.3702 15.3702 15.7124 15.7124 15.9043 15.9043 16.2927 16.2927 17.0735 17.0735 18.6129 18.6129 19.9001 19.9001 20.6546 20.6546 21.2276 21.2276 k = 0.1727 0.5000 0.1727 ( 2456 PWs) bands (ev): -1.0340 -1.0340 -1.0139 -1.0139 1.4680 1.4680 1.4732 1.4732 1.5245 1.5245 7.2722 7.2722 9.9905 9.9905 11.5382 11.5382 12.3128 12.3128 12.6580 12.6580 12.8127 12.8127 13.1980 13.1980 13.3081 13.3081 13.6454 13.6454 13.9561 13.9561 15.1740 15.1740 15.2890 15.2890 15.3577 15.3577 15.7000 15.7000 15.8925 15.8925 16.3195 16.3195 17.0812 17.0812 18.6061 18.6061 20.0156 20.0156 20.8135 20.8135 21.2582 21.2582 k = 0.1636 0.5000 0.1636 ( 2456 PWs) bands (ev): -1.0344 -1.0344 -1.0136 -1.0136 1.4690 1.4690 1.4722 1.4722 1.5239 1.5239 7.2479 7.2479 9.9346 9.9346 11.5927 11.5927 12.2881 12.2881 12.6279 12.6279 12.7646 12.7646 13.2334 13.2334 13.3261 13.3261 13.6708 13.6708 13.9818 13.9818 15.1512 15.1512 15.2833 15.2833 15.3636 15.3636 15.6835 15.6835 15.8809 15.8809 16.3498 16.3498 17.0933 17.0933 18.6010 18.6010 20.1298 20.1298 20.9697 20.9697 21.2958 21.2958 k = 0.1545 0.5000 0.1545 ( 2456 PWs) bands (ev): -1.0349 -1.0349 -1.0133 -1.0133 1.4680 1.4680 1.4731 1.4731 1.5232 1.5232 7.2236 7.2236 9.8806 9.8806 11.6494 11.6494 12.2638 12.2638 12.5989 12.5989 12.7201 12.7201 13.2615 13.2615 13.3501 13.3501 13.6958 13.6958 14.0100 14.0100 15.1226 15.1226 15.2709 15.2709 15.3783 15.3783 15.6640 15.6640 15.8687 15.8687 16.3824 16.3824 17.1106 17.1106 18.5982 18.5982 20.2421 20.2421 21.1186 21.1186 21.3449 21.3449 k = 0.1455 0.5000 0.1455 ( 2452 PWs) bands (ev): -1.0355 -1.0355 -1.0131 -1.0131 1.4663 1.4663 1.4746 1.4746 1.5226 1.5226 7.1995 7.1995 9.8288 9.8288 11.7077 11.7077 12.2399 12.2399 12.5712 12.5712 12.6791 12.6791 13.2832 13.2832 13.3790 13.3790 13.7200 13.7200 14.0401 14.0401 15.0918 15.0918 15.2576 15.2576 15.3929 15.3929 15.6427 15.6427 15.8551 15.8551 16.4156 16.4156 17.1334 17.1334 18.5977 18.5977 20.3518 20.3518 21.2480 21.2480 21.4179 21.4179 k = 0.1364 0.5000 0.1364 ( 2460 PWs) bands (ev): -1.0361 -1.0361 -1.0129 -1.0129 1.4643 1.4643 1.4762 1.4762 1.5218 1.5218 7.1759 7.1759 9.7793 9.7793 11.7670 11.7670 12.2164 12.2164 12.5449 12.5449 12.6418 12.6418 13.3010 13.3010 13.4101 13.4101 13.7432 13.7432 14.0715 14.0715 15.0612 15.0612 15.2452 15.2452 15.4042 15.4042 15.6206 15.6206 15.8396 15.8396 16.4481 16.4481 17.1621 17.1621 18.6000 18.6000 20.4581 20.4581 21.3424 21.3424 21.5303 21.5303 k = 0.1273 0.5000 0.1273 ( 2460 PWs) bands (ev): -1.0367 -1.0367 -1.0126 -1.0126 1.4624 1.4624 1.4777 1.4777 1.5211 1.5211 7.1530 7.1530 9.7322 9.7322 11.8264 11.8264 12.1936 12.1936 12.5202 12.5202 12.6079 12.6079 13.3169 13.3169 13.4414 13.4414 13.7654 13.7654 14.1034 14.1034 15.0323 15.0323 15.2341 15.2341 15.4112 15.4112 15.5984 15.5984 15.8218 15.8218 16.4786 16.4786 17.1966 17.1966 18.6050 18.6050 20.5599 20.5599 21.4132 21.4132 21.6704 21.6704 k = 0.1182 0.5000 0.1182 ( 2468 PWs) bands (ev): -1.0374 -1.0374 -1.0124 -1.0124 1.4605 1.4605 1.4791 1.4791 1.5204 1.5204 7.1310 7.1310 9.6878 9.6878 11.8852 11.8852 12.1716 12.1716 12.4972 12.4972 12.5775 12.5775 13.3321 13.3321 13.4715 13.4715 13.7862 13.7862 14.1352 14.1352 15.0064 15.0064 15.2242 15.2242 15.4138 15.4138 15.5768 15.5768 15.8016 15.8016 16.5063 16.5063 17.2364 17.2364 18.6129 18.6129 20.6563 20.6563 21.4784 21.4784 21.8199 21.8199 k = 0.1091 0.5000 0.1091 ( 2464 PWs) bands (ev): -1.0380 -1.0380 -1.0122 -1.0122 1.4586 1.4586 1.4805 1.4805 1.5197 1.5197 7.1100 7.1100 9.6462 9.6462 11.9423 11.9423 12.1511 12.1511 12.4761 12.4761 12.5502 12.5502 13.3471 13.3471 13.5001 13.5001 13.8053 13.8053 14.1661 14.1661 14.9843 14.9843 15.2158 15.2158 15.4122 15.4122 15.5563 15.5563 15.7789 15.7789 16.5308 16.5308 17.2806 17.2806 18.6236 18.6236 20.7458 20.7458 21.5451 21.5451 21.9715 21.9715 k = 0.1000 0.5000 0.1000 ( 2464 PWs) bands (ev): -1.0386 -1.0386 -1.0121 -1.0121 1.4568 1.4568 1.4816 1.4816 1.5191 1.5191 7.0901 7.0901 9.6074 9.6074 11.9955 11.9955 12.1337 12.1337 12.4569 12.4569 12.5258 12.5258 13.3621 13.3621 13.5270 13.5270 13.8221 13.8221 14.1954 14.1954 14.9669 14.9669 15.2089 15.2089 15.4065 15.4065 15.5374 15.5374 15.7539 15.7539 16.5520 16.5520 17.3279 17.3279 18.6369 18.6369 20.8271 20.8271 21.6154 21.6154 22.1220 22.1220 k = 0.0909 0.5000 0.0909 ( 2462 PWs) bands (ev): -1.0392 -1.0392 -1.0119 -1.0119 1.4551 1.4551 1.4827 1.4827 1.5185 1.5185 7.0716 7.0716 9.5716 9.5716 12.0389 12.0389 12.1249 12.1249 12.4396 12.4396 12.5042 12.5042 13.3770 13.3770 13.5521 13.5521 13.8363 13.8363 14.2226 14.2226 14.9547 14.9547 15.2039 15.2039 15.3976 15.3976 15.5200 15.5200 15.7267 15.7267 16.5702 16.5702 17.3770 17.3770 18.6527 18.6527 20.8983 20.8983 21.6900 21.6900 22.2699 22.2699 k = 0.0818 0.5000 0.0818 ( 2458 PWs) bands (ev): -1.0398 -1.0398 -1.0118 -1.0118 1.4534 1.4534 1.4837 1.4837 1.5179 1.5179 7.0545 7.0545 9.5389 9.5389 12.0565 12.0565 12.1403 12.1403 12.4242 12.4242 12.4852 12.4852 13.3917 13.3917 13.5756 13.5756 13.8473 13.8473 14.2472 14.2472 14.9477 14.9477 15.2011 15.2011 15.3861 15.3861 15.5042 15.5042 15.6974 15.6974 16.5856 16.5856 17.4263 17.4263 18.6705 18.6705 20.9576 20.9576 21.7689 21.7689 22.4138 22.4138 k = 0.0727 0.5000 0.0727 ( 2462 PWs) bands (ev): -1.0404 -1.0404 -1.0117 -1.0117 1.4519 1.4519 1.4845 1.4845 1.5174 1.5174 7.0390 7.0390 9.5094 9.5094 12.0507 12.0507 12.1771 12.1771 12.4106 12.4106 12.4688 12.4688 13.4061 13.4061 13.5977 13.5977 13.8549 13.8549 14.2690 14.2690 14.9458 14.9458 15.2007 15.2007 15.3731 15.3731 15.4896 15.4896 15.6664 15.6664 16.5986 16.5986 17.4744 17.4744 18.6898 18.6898 21.0034 21.0034 21.8513 21.8513 22.5503 22.5503 k = 0.0636 0.5000 0.0636 ( 2454 PWs) bands (ev): -1.0409 -1.0409 -1.0115 -1.0115 1.4506 1.4506 1.4853 1.4853 1.5170 1.5170 7.0251 7.0251 9.4831 9.4831 12.0387 12.0387 12.2175 12.2175 12.3988 12.3988 12.4547 12.4547 13.4200 13.4200 13.6185 13.6185 13.8588 13.8588 14.2879 14.2879 14.9483 14.9483 15.2033 15.2033 15.3595 15.3595 15.4759 15.4759 15.6342 15.6342 16.6095 16.6095 17.5200 17.5200 18.7100 18.7100 21.0345 21.0345 21.9357 21.9357 22.5164 22.5164 k = 0.0545 0.5000 0.0545 ( 2450 PWs) bands (ev): -1.0414 -1.0414 -1.0114 -1.0114 1.4494 1.4494 1.4859 1.4859 1.5166 1.5166 7.0129 7.0129 9.4602 9.4602 12.0262 12.0262 12.2554 12.2554 12.3886 12.3886 12.4431 12.4431 13.4329 13.4329 13.6381 13.6381 13.8591 13.8591 14.3042 14.3042 14.9541 14.9541 15.2094 15.2094 15.3461 15.3461 15.4627 15.4627 15.6014 15.6014 16.6186 16.6186 17.5618 17.5618 18.7303 18.7303 21.0512 21.0512 22.0194 22.0194 22.4681 22.4681 k = 0.0455 0.5000 0.0455 ( 2454 PWs) bands (ev): -1.0418 -1.0418 -1.0114 -1.0114 1.4483 1.4483 1.4864 1.4864 1.5163 1.5163 7.0025 7.0025 9.4408 9.4408 12.0148 12.0148 12.2887 12.2887 12.3801 12.3801 12.4337 12.4337 13.4445 13.4445 13.6566 13.6566 13.8560 13.8560 14.3178 14.3178 14.9618 14.9618 15.2194 15.2194 15.3337 15.3337 15.4495 15.4495 15.5690 15.5690 16.6260 16.6260 17.5990 17.5990 18.7498 18.7498 21.0554 21.0554 22.0976 22.0976 22.4449 22.4449 k = 0.0364 0.5000 0.0364 ( 2454 PWs) bands (ev): -1.0422 -1.0422 -1.0113 -1.0113 1.4474 1.4474 1.4869 1.4869 1.5160 1.5160 6.9939 6.9939 9.4248 9.4248 12.0051 12.0051 12.3163 12.3163 12.3732 12.3732 12.4268 12.4268 13.4547 13.4547 13.6739 13.6739 13.8503 13.8503 14.3288 14.3288 14.9700 14.9700 15.2335 15.2335 15.3228 15.3228 15.4355 15.4355 15.5386 15.5386 16.6319 16.6319 17.6305 17.6305 18.7677 18.7677 21.0503 21.0503 22.1631 22.1631 22.4477 22.4477 k = 0.0273 0.5000 0.0273 ( 2446 PWs) bands (ev): -1.0424 -1.0424 -1.0112 -1.0112 1.4467 1.4467 1.4872 1.4872 1.5158 1.5158 6.9872 6.9872 9.4123 9.4123 11.9973 11.9973 12.3372 12.3372 12.3683 12.3683 12.4223 12.4223 13.4629 13.4629 13.6896 13.6896 13.8429 13.8429 14.3375 14.3375 14.9774 14.9774 15.2515 15.2515 15.3139 15.3139 15.4194 15.4194 15.5125 15.5125 16.6364 16.6364 17.6558 17.6558 18.7829 18.7829 21.0404 21.0404 22.2095 22.2095 22.4740 22.4740 k = 0.0182 0.5000 0.0182 ( 2438 PWs) bands (ev): -1.0426 -1.0426 -1.0112 -1.0112 1.4462 1.4462 1.4874 1.4874 1.5156 1.5156 6.9823 6.9823 9.4033 9.4033 11.9916 11.9916 12.3505 12.3505 12.3657 12.3657 12.4200 12.4200 13.4690 13.4690 13.7027 13.7027 13.8352 13.8352 14.3437 14.3437 14.9832 14.9832 15.2722 15.2722 15.3076 15.3076 15.4003 15.4003 15.4932 15.4932 16.6396 16.6396 17.6742 17.6742 18.7946 18.7946 21.0297 21.0297 22.2369 22.2369 22.5123 22.5123 k = 0.0091 0.5000 0.0091 ( 2416 PWs) bands (ev): -1.0428 -1.0428 -1.0112 -1.0112 1.4459 1.4459 1.4876 1.4876 1.5155 1.5155 6.9794 6.9794 9.3979 9.3979 11.9882 11.9882 12.3556 12.3556 12.3665 12.3665 12.4194 12.4194 13.4728 13.4728 13.7118 13.7118 13.8292 13.8292 14.3475 14.3475 14.9869 14.9869 15.2913 15.2913 15.3050 15.3050 15.3804 15.3804 15.4820 15.4820 16.6415 16.6415 17.6854 17.6854 18.8019 18.8019 21.0218 21.0218 22.2507 22.2507 22.5452 22.5452 k = 0.0000 0.5000-0.0000 ( 2416 PWs) bands (ev): -1.0428 -1.0428 -1.0112 -1.0112 1.4458 1.4458 1.4876 1.4876 1.5155 1.5155 6.9785 6.9785 9.3961 9.3961 11.9871 11.9871 12.3562 12.3562 12.3677 12.3677 12.4194 12.4194 13.4740 13.4740 13.7151 13.7151 13.8268 13.8268 14.3487 14.3487 14.9882 14.9882 15.2974 15.2974 15.3081 15.3081 15.3699 15.3699 15.4784 15.4784 16.6421 16.6421 17.6892 17.6892 18.8044 18.8044 21.0189 21.0189 22.2549 22.2549 22.5579 22.5579 k = 0.5000 0.5000-0.0000 ( 2464 PWs) bands (ev): -1.0191 -1.0191 -1.0159 -1.0159 1.4544 1.4544 1.4908 1.4908 1.5601 1.5601 7.8116 7.8116 10.7861 10.7861 10.9049 10.9049 12.0240 12.0240 12.8693 12.8693 12.9645 12.9645 13.0417 13.0417 13.1045 13.1045 13.9152 13.9152 14.0728 14.0728 14.8595 14.8595 14.9918 14.9918 15.0627 15.0627 15.5562 15.5562 15.7373 15.7373 15.8906 15.8906 16.3054 16.3054 18.5140 18.5140 18.5631 18.5631 22.3516 22.3516 23.8429 23.8429 k = 0.5000 0.5000 0.0128 ( 2464 PWs) bands (ev): -1.0192 -1.0192 -1.0159 -1.0159 1.4543 1.4543 1.4908 1.4908 1.5600 1.5600 7.8107 7.8107 10.7876 10.7876 10.9063 10.9063 12.0265 12.0265 12.8583 12.8583 12.9645 12.9645 13.0266 13.0266 13.1314 13.1314 13.9142 13.9142 14.0715 14.0715 14.8549 14.8549 14.9943 14.9943 15.0671 15.0671 15.5574 15.5574 15.7377 15.7377 15.8926 15.8926 16.3066 16.3066 18.5130 18.5130 18.5618 18.5618 22.3279 22.3279 23.8516 23.8516 k = 0.5000 0.5000 0.0256 ( 2464 PWs) bands (ev): -1.0193 -1.0193 -1.0160 -1.0160 1.4540 1.4540 1.4909 1.4909 1.5596 1.5596 7.8078 7.8078 10.7922 10.7922 10.9105 10.9105 12.0340 12.0340 12.8276 12.8276 12.9643 12.9643 13.0095 13.0095 13.1817 13.1817 13.9113 13.9113 14.0674 14.0674 14.8419 14.8419 15.0016 15.0016 15.0795 15.0795 15.5609 15.5609 15.7389 15.7389 15.8984 15.8984 16.3102 16.3102 18.5101 18.5101 18.5577 18.5577 22.2604 22.2604 23.8718 23.8718 k = 0.5000 0.5000 0.0385 ( 2464 PWs) bands (ev): -1.0194 -1.0194 -1.0162 -1.0162 1.4536 1.4536 1.4910 1.4910 1.5591 1.5591 7.8031 7.8031 10.7997 10.7997 10.9175 10.9175 12.0464 12.0464 12.7835 12.7835 12.9639 12.9639 13.0008 13.0008 13.2383 13.2383 13.9069 13.9069 14.0607 14.0607 14.8227 14.8227 15.0136 15.0136 15.0979 15.0979 15.5668 15.5668 15.7408 15.7408 15.9076 15.9076 16.3163 16.3163 18.5052 18.5052 18.5509 18.5509 22.1576 22.1576 23.8886 23.8886 k = 0.5000 0.5000 0.0513 ( 2456 PWs) bands (ev): -1.0196 -1.0196 -1.0165 -1.0165 1.4529 1.4529 1.4911 1.4911 1.5584 1.5584 7.7966 7.7966 10.8101 10.8101 10.9273 10.9273 12.0636 12.0636 12.7325 12.7325 12.9635 12.9635 12.9980 12.9980 13.2970 13.2970 13.9016 13.9016 14.0517 14.0517 14.7991 14.7991 15.0299 15.0299 15.1206 15.1206 15.5748 15.5748 15.7436 15.7436 15.9196 15.9196 16.3251 16.3251 18.4982 18.4982 18.5412 18.5412 22.0290 22.0290 23.8851 23.8851 k = 0.5000 0.5000 0.0641 ( 2464 PWs) bands (ev): -1.0199 -1.0199 -1.0168 -1.0168 1.4521 1.4521 1.4913 1.4913 1.5574 1.5574 7.7883 7.7883 10.8234 10.8234 10.9397 10.9397 12.0857 12.0857 12.6783 12.6783 12.9630 12.9630 12.9987 12.9987 13.3558 13.3558 13.8965 13.8965 14.0406 14.0406 14.7725 14.7725 15.0502 15.0502 15.1461 15.1461 15.5850 15.5850 15.7472 15.7472 15.9336 15.9336 16.3369 16.3369 18.4892 18.4892 18.5287 18.5287 21.8825 21.8825 23.8501 23.8501 k = 0.5000 0.5000 0.0769 ( 2464 PWs) bands (ev): -1.0203 -1.0203 -1.0173 -1.0173 1.4510 1.4510 1.4916 1.4916 1.5563 1.5563 7.7784 7.7784 10.8395 10.8395 10.9547 10.9547 12.1124 12.1124 12.6229 12.6229 12.9626 12.9626 13.0016 13.0016 13.4128 13.4128 13.8930 13.8930 14.0276 14.0276 14.7441 14.7441 15.0741 15.0741 15.1739 15.1739 15.5970 15.5970 15.7518 15.7518 15.9487 15.9487 16.3518 16.3518 18.4781 18.4781 18.5132 18.5132 21.7240 21.7240 23.7816 23.7816 k = 0.5000 0.5000 0.0897 ( 2460 PWs) bands (ev): -1.0207 -1.0207 -1.0178 -1.0178 1.4498 1.4498 1.4918 1.4918 1.5550 1.5550 7.7670 7.7670 10.8583 10.8583 10.9722 10.9722 12.1436 12.1436 12.5674 12.5674 12.9623 12.9623 13.0062 13.0062 13.4662 13.4662 13.8930 13.8930 14.0132 14.0132 14.7144 14.7144 15.1011 15.1011 15.2032 15.2032 15.6108 15.6108 15.7575 15.7575 15.9642 15.9642 16.3701 16.3701 18.4648 18.4648 18.4947 18.4947 21.5577 21.5577 23.6855 23.6855 k = 0.5000 0.5000 0.1026 ( 2456 PWs) bands (ev): -1.0211 -1.0211 -1.0183 -1.0183 1.4484 1.4484 1.4922 1.4922 1.5535 1.5535 7.7541 7.7541 10.8796 10.8796 10.9920 10.9920 12.1792 12.1792 12.5124 12.5124 12.9623 12.9623 13.0123 13.0123 13.5135 13.5135 13.8990 13.8990 13.9977 13.9977 14.6839 14.6839 15.1307 15.1307 15.2337 15.2337 15.6259 15.6259 15.7645 15.7645 15.9792 15.9792 16.3920 16.3920 18.4492 18.4492 18.4729 18.4729 21.3864 21.3864 23.5698 23.5698 k = 0.5000 0.5000 0.1154 ( 2464 PWs) bands (ev): -1.0216 -1.0216 -1.0189 -1.0189 1.4469 1.4469 1.4925 1.4925 1.5519 1.5519 7.7400 7.7400 10.9034 10.9034 11.0140 11.0140 12.2190 12.2190 12.4582 12.4582 12.9627 12.9627 13.0196 13.0196 13.5521 13.5521 13.9141 13.9141 13.9813 13.9813 14.6533 14.6533 15.1627 15.1627 15.2650 15.2650 15.6420 15.6420 15.7729 15.7729 15.9930 15.9930 16.4174 16.4174 18.4313 18.4313 18.4479 18.4479 21.2123 21.2123 23.4419 23.4419 k = 0.5000 0.5000 0.1282 ( 2448 PWs) bands (ev): -1.0222 -1.0222 -1.0196 -1.0196 1.4451 1.4451 1.4930 1.4930 1.5501 1.5501 7.7247 7.7247 10.9294 10.9294 11.0381 11.0381 12.2628 12.2628 12.4050 12.4050 12.9636 12.9636 13.0281 13.0281 13.5799 13.5799 13.9403 13.9403 13.9642 13.9642 14.6228 14.6228 15.1964 15.1964 15.2968 15.2968 15.6586 15.6586 15.7832 15.7832 16.0054 16.0054 16.4462 16.4462 18.4110 18.4110 18.4195 18.4195 21.0369 21.0369 23.3073 23.3073 k = 0.5000 0.5000 0.1410 ( 2448 PWs) bands (ev): -1.0228 -1.0228 -1.0203 -1.0203 1.4432 1.4432 1.4934 1.4934 1.5483 1.5483 7.7084 7.7084 10.9574 10.9574 11.0639 11.0639 12.3104 12.3104 12.3530 12.3530 12.9651 12.9651 13.0379 13.0379 13.5969 13.5969 13.9468 13.9468 13.9779 13.9779 14.5928 14.5928 15.2316 15.2316 15.3288 15.3288 15.6752 15.6752 15.7956 15.7956 16.0159 16.0159 16.4780 16.4780 18.3876 18.3876 18.3882 18.3882 20.8614 20.8614 23.1700 23.1700 k = 0.5000 0.5000 0.1538 ( 2448 PWs) bands (ev): -1.0235 -1.0235 -1.0211 -1.0211 1.4412 1.4412 1.4939 1.4939 1.5463 1.5463 7.6912 7.6912 10.9873 10.9873 11.0914 11.0914 12.3022 12.3022 12.3617 12.3617 12.9676 12.9676 13.0490 13.0490 13.6051 13.6051 13.9293 13.9293 14.0252 14.0252 14.5635 14.5635 15.2678 15.2678 15.3605 15.3605 15.6910 15.6910 15.8107 15.8107 16.0244 16.0244 16.5126 16.5126 18.3521 18.3521 18.3629 18.3629 20.6866 20.6866 23.0327 23.0327 k = 0.5000 0.5000 0.1667 ( 2456 PWs) bands (ev): -1.0242 -1.0242 -1.0220 -1.0220 1.4390 1.4390 1.4944 1.4944 1.5443 1.5443 7.6733 7.6733 11.0188 11.0188 11.1202 11.1202 12.2529 12.2529 12.4162 12.4162 12.9712 12.9712 13.0613 13.0613 13.6071 13.6071 13.9118 13.9118 14.0795 14.0795 14.5353 14.5353 15.3048 15.3048 15.3916 15.3916 15.7058 15.7058 15.8286 15.8286 16.0310 16.0310 16.5493 16.5493 18.3129 18.3129 18.3350 18.3350 20.5134 20.5134 22.8975 22.8975 k = 0.5000 0.5000 0.1795 ( 2448 PWs) bands (ev): -1.0249 -1.0249 -1.0228 -1.0228 1.4366 1.4366 1.4950 1.4950 1.5422 1.5422 7.6549 7.6549 11.0516 11.0516 11.1501 11.1501 12.2050 12.2050 12.4738 12.4738 12.9762 12.9762 13.0750 13.0750 13.6055 13.6055 13.8946 13.8946 14.1385 14.1385 14.5083 14.5083 15.3421 15.3421 15.4219 15.4219 15.7191 15.7191 15.8496 15.8496 16.0358 16.0358 16.5875 16.5875 18.2701 18.2701 18.3044 18.3044 20.3423 20.3423 22.7658 22.7658 k = 0.5000 0.5000 0.1923 ( 2448 PWs) bands (ev): -1.0256 -1.0256 -1.0237 -1.0237 1.4341 1.4341 1.4956 1.4956 1.5401 1.5401 7.6360 7.6360 11.0854 11.0854 11.1808 11.1808 12.1587 12.1587 12.5343 12.5343 12.9829 12.9829 13.0899 13.0899 13.6024 13.6024 13.8779 13.8779 14.2004 14.2004 14.4827 14.4827 15.3794 15.3794 15.4509 15.4509 15.7308 15.7308 15.8735 15.8735 16.0387 16.0387 16.6267 16.6267 18.2236 18.2236 18.2713 18.2713 20.1738 20.1738 22.6389 22.6389 k = 0.5000 0.5000 0.2051 ( 2448 PWs) bands (ev): -1.0264 -1.0264 -1.0247 -1.0247 1.4316 1.4316 1.4962 1.4962 1.5380 1.5380 7.6169 7.6169 11.1201 11.1201 11.2121 11.2121 12.1140 12.1140 12.5972 12.5972 12.9914 12.9914 13.1062 13.1062 13.5990 13.5990 13.8617 13.8617 14.2638 14.2638 14.4588 14.4588 15.4164 15.4164 15.4783 15.4783 15.7410 15.7410 15.9000 15.9000 16.0400 16.0400 16.6663 16.6663 18.1736 18.1736 18.2356 18.2356 20.0087 20.0087 22.5174 22.5174 k = 0.5000 0.5000 0.2179 ( 2448 PWs) bands (ev): -1.0273 -1.0273 -1.0256 -1.0256 1.4289 1.4289 1.4969 1.4969 1.5359 1.5359 7.5976 7.5976 11.1551 11.1551 11.2436 11.2436 12.0709 12.0709 12.6623 12.6623 13.0021 13.0021 13.1238 13.1238 13.5965 13.5965 13.8465 13.8465 14.3279 14.3279 14.4365 14.4365 15.4526 15.4526 15.5037 15.5037 15.7497 15.7497 15.9291 15.9291 16.0397 16.0397 16.7057 16.7057 18.1203 18.1203 18.1974 18.1974 19.8472 19.8472 22.4020 22.4020 k = 0.5000 0.5000 0.2308 ( 2440 PWs) bands (ev): -1.0281 -1.0281 -1.0266 -1.0266 1.4261 1.4261 1.4976 1.4976 1.5338 1.5338 7.5783 7.5783 11.1903 11.1903 11.2750 11.2750 12.0296 12.0296 12.7291 12.7291 13.0153 13.0153 13.1424 13.1424 13.5957 13.5957 13.8325 13.8325 14.3919 14.3919 14.4159 14.4159 15.4877 15.4877 15.5266 15.5266 15.7568 15.7568 15.9604 15.9604 16.0378 16.0378 16.7443 16.7443 18.0641 18.0641 18.1568 18.1568 19.6899 19.6899 22.2931 22.2931 k = 0.5000 0.5000 0.2436 ( 2440 PWs) bands (ev): -1.0289 -1.0289 -1.0276 -1.0276 1.4233 1.4233 1.4983 1.4983 1.5317 1.5317 7.5591 7.5591 11.2252 11.2252 11.3061 11.3061 11.9900 11.9900 12.7972 12.7972 13.0312 13.0312 13.1620 13.1620 13.5975 13.5975 13.8199 13.8199 14.3971 14.3971 14.4552 14.4552 15.5212 15.5212 15.5468 15.5468 15.7621 15.7621 15.9940 15.9940 16.0346 16.0346 16.7815 16.7815 18.0052 18.0052 18.1142 18.1142 19.5373 19.5373 22.1713 22.1713 k = 0.5000 0.5000 0.2564 ( 2428 PWs) bands (ev): -1.0298 -1.0298 -1.0285 -1.0285 1.4204 1.4204 1.4990 1.4990 1.5297 1.5297 7.5402 7.5402 11.2595 11.2595 11.3365 11.3365 11.9521 11.9521 12.8661 12.8661 13.0501 13.0501 13.1822 13.1822 13.6027 13.6027 13.8092 13.8092 14.3802 14.3802 14.5175 14.5175 15.5530 15.5530 15.5636 15.5636 15.7654 15.7654 16.0299 16.0299 16.0300 16.0300 16.8165 16.8165 17.9444 17.9444 18.0699 18.0699 19.3899 19.3899 22.0427 22.0427 k = 0.5000 0.5000 0.2692 ( 2444 PWs) bands (ev): -1.0306 -1.0306 -1.0295 -1.0295 1.4175 1.4175 1.4997 1.4997 1.5277 1.5277 7.5216 7.5216 11.2929 11.2929 11.3659 11.3659 11.9160 11.9160 12.9349 12.9349 13.0722 13.0722 13.2026 13.2026 13.6118 13.6118 13.8010 13.8010 14.3650 14.3650 14.5782 14.5782 15.5766 15.5766 15.5826 15.5826 15.7662 15.7662 16.0242 16.0242 16.0681 16.0681 16.8485 16.8485 17.8825 17.8825 18.0241 18.0241 19.2482 19.2482 21.9216 21.9216 k = 0.5000 0.5000 0.2821 ( 2444 PWs) bands (ev): -1.0315 -1.0315 -1.0305 -1.0305 1.4146 1.4146 1.5004 1.5004 1.5258 1.5258 7.5035 7.5035 11.3250 11.3250 11.3941 11.3941 11.8818 11.8818 13.0027 13.0027 13.0979 13.0979 13.2226 13.2226 13.6258 13.6258 13.7958 13.7958 14.3516 14.3516 14.6371 14.6371 15.5852 15.5852 15.6099 15.6099 15.7638 15.7638 16.0173 16.0173 16.1085 16.1085 16.8768 16.8768 17.8206 17.8206 17.9775 17.9775 19.1127 19.1127 21.8079 21.8079 k = 0.5000 0.5000 0.2949 ( 2436 PWs) bands (ev): -1.0323 -1.0323 -1.0314 -1.0314 1.4117 1.4117 1.5012 1.5012 1.5239 1.5239 7.4859 7.4859 11.3557 11.3557 11.4208 11.4208 11.8495 11.8495 13.0676 13.0676 13.1283 13.1283 13.2417 13.2417 13.6454 13.6454 13.7946 13.7946 14.3398 14.3398 14.6938 14.6938 15.5888 15.5888 15.6347 15.6347 15.7578 15.7578 16.0095 16.0095 16.1513 16.1513 16.9000 16.9000 17.7598 17.7598 17.9305 17.9305 18.9839 18.9839 21.7017 21.7017 k = 0.5000 0.5000 0.3077 ( 2436 PWs) bands (ev): -1.0331 -1.0331 -1.0324 -1.0324 1.4089 1.4089 1.5019 1.5019 1.5221 1.5221 7.4690 7.4690 11.3845 11.3845 11.4460 11.4460 11.8191 11.8191 13.1247 13.1247 13.1668 13.1668 13.2593 13.2593 13.6711 13.6711 13.7984 13.7984 14.3298 14.3298 14.7480 14.7480 15.5871 15.5871 15.6572 15.6572 15.7475 15.7475 16.0009 16.0009 16.1962 16.1962 16.9171 16.9171 17.7019 17.7019 17.8837 17.8837 18.8624 18.8624 21.6026 21.6026 k = 0.5000 0.5000 0.3205 ( 2436 PWs) bands (ev): -1.0340 -1.0340 -1.0333 -1.0333 1.4061 1.4061 1.5026 1.5026 1.5205 1.5205 7.4527 7.4527 11.4114 11.4114 11.4693 11.4693 11.7906 11.7906 13.1688 13.1688 13.2175 13.2175 13.2751 13.2751 13.7033 13.7033 13.8083 13.8083 14.3213 14.3213 14.7995 14.7995 15.5794 15.5794 15.6773 15.6773 15.7323 15.7323 15.9916 15.9916 16.2431 16.2431 16.9264 16.9264 17.6488 17.6488 17.8378 17.8378 18.7486 18.7486 21.5105 21.5105 k = 0.5000 0.5000 0.3333 ( 2444 PWs) bands (ev): -1.0347 -1.0347 -1.0341 -1.0341 1.4034 1.4034 1.5033 1.5033 1.5189 1.5189 7.4373 7.4373 11.4362 11.4362 11.4907 11.4907 11.7641 11.7641 13.2047 13.2047 13.2736 13.2736 13.2888 13.2888 13.7421 13.7421 13.8255 13.8255 14.3144 14.3144 14.8480 14.8480 15.5654 15.5654 15.6947 15.6947 15.7122 15.7122 15.9817 15.9817 16.2916 16.2916 16.9268 16.9268 17.6023 17.6023 17.7933 17.7933 18.6430 18.6430 21.4250 21.4250 k = 0.5000 0.5000 0.3462 ( 2440 PWs) bands (ev): -1.0355 -1.0355 -1.0350 -1.0350 1.4008 1.4008 1.5040 1.5040 1.5174 1.5174 7.4228 7.4228 11.4588 11.4588 11.5101 11.5101 11.7396 11.7396 13.2370 13.2370 13.3006 13.3006 13.3294 13.3294 13.7872 13.7872 13.8505 13.8505 14.3091 14.3091 14.8934 14.8934 15.5452 15.5452 15.6836 15.6836 15.7127 15.7127 15.9712 15.9712 16.3411 16.3411 16.9170 16.9170 17.5641 17.5641 17.7509 17.7509 18.5459 18.5459 21.3457 21.3457 k = 0.5000 0.5000 0.3590 ( 2440 PWs) bands (ev): -1.0362 -1.0362 -1.0358 -1.0358 1.3983 1.3983 1.5046 1.5046 1.5160 1.5160 7.4092 7.4092 11.4792 11.4792 11.5274 11.5274 11.7172 11.7172 13.2656 13.2656 13.3105 13.3105 13.3837 13.3837 13.8382 13.8382 13.8835 13.8835 14.3054 14.3054 14.9355 14.9355 15.5188 15.5188 15.6512 15.6512 15.7267 15.7267 15.9598 15.9598 16.3912 16.3912 16.8972 16.8972 17.5350 17.5350 17.7111 17.7111 18.4577 18.4577 21.2723 21.2723 k = 0.5000 0.5000 0.3718 ( 2448 PWs) bands (ev): -1.0368 -1.0368 -1.0365 -1.0365 1.3960 1.3960 1.5053 1.5053 1.5147 1.5147 7.3966 7.3966 11.4974 11.4974 11.5425 11.5425 11.6970 11.6970 13.2897 13.2897 13.3187 13.3187 13.4373 13.4373 13.8944 13.8944 13.9235 13.9235 14.3035 14.3035 14.9741 14.9741 15.4868 15.4868 15.6124 15.6124 15.7394 15.7394 15.9472 15.9472 16.4413 16.4413 16.8685 16.8685 17.5148 17.5148 17.6743 17.6743 18.3784 18.3784 21.2042 21.2042 k = 0.5000 0.5000 0.3846 ( 2448 PWs) bands (ev): -1.0375 -1.0375 -1.0372 -1.0372 1.3938 1.3938 1.5058 1.5058 1.5136 1.5136 7.3850 7.3850 11.5133 11.5133 11.5554 11.5554 11.6792 11.6792 13.3086 13.3086 13.3255 13.3255 13.4908 13.4908 13.9550 13.9550 13.9685 13.9685 14.3038 14.3038 15.0091 15.0091 15.4498 15.4498 15.5678 15.5678 15.7507 15.7507 15.9332 15.9332 16.4905 16.4905 16.8331 16.8331 17.5022 17.5022 17.6408 17.6408 18.3082 18.3082 21.1411 21.1411 k = 0.5000 0.5000 0.3974 ( 2440 PWs) bands (ev): -1.0380 -1.0380 -1.0378 -1.0378 1.3918 1.3918 1.5064 1.5064 1.5125 1.5125 7.3746 7.3746 11.5272 11.5272 11.5660 11.5660 11.6638 11.6638 13.3227 13.3227 13.3312 13.3312 13.5445 13.5445 14.0157 14.0157 14.0191 14.0191 14.3068 14.3068 15.0406 15.0406 15.4089 15.4089 15.5180 15.5180 15.7607 15.7607 15.9176 15.9176 16.5380 16.5380 16.7938 16.7938 17.4954 17.4954 17.6108 17.6108 18.2469 18.2469 21.0829 21.0829 k = 0.5000 0.5000 0.4103 ( 2448 PWs) bands (ev): -1.0385 -1.0385 -1.0384 -1.0384 1.3900 1.3900 1.5068 1.5068 1.5116 1.5116 7.3652 7.3652 11.5391 11.5391 11.5740 11.5740 11.6513 11.6513 13.3327 13.3327 13.3358 13.3358 13.5978 13.5978 14.0616 14.0616 14.0856 14.0856 14.3137 14.3137 15.0683 15.0683 15.3654 15.3654 15.4639 15.4639 15.7695 15.7695 15.9002 15.9002 16.5831 16.5831 16.7536 16.7536 17.4926 17.4926 17.5844 17.5844 18.1943 18.1943 21.0294 21.0294 k = 0.5000 0.5000 0.4231 ( 2452 PWs) bands (ev): -1.0390 -1.0390 -1.0389 -1.0389 1.3884 1.3884 1.5073 1.5073 1.5108 1.5108 7.3571 7.3571 11.5491 11.5491 11.5792 11.5792 11.6419 11.6419 13.3394 13.3394 13.3396 13.3396 13.6499 13.6499 14.1027 14.1027 14.1532 14.1532 14.3256 14.3256 15.0924 15.0924 15.3208 15.3208 15.4068 15.4068 15.7770 15.7770 15.8814 15.8814 16.6248 16.6248 16.7149 16.7149 17.4922 17.4922 17.5616 17.5616 18.1501 18.1501 20.9808 20.9808 k = 0.5000 0.5000 0.4359 ( 2448 PWs) bands (ev): -1.0394 -1.0394 -1.0393 -1.0393 1.3870 1.3870 1.5076 1.5076 1.5101 1.5101 7.3501 7.3501 11.5573 11.5573 11.5814 11.5814 11.6361 11.6361 13.3427 13.3427 13.3437 13.3437 13.6992 13.6992 14.1354 14.1354 14.2201 14.2201 14.3434 14.3434 15.1127 15.1127 15.2771 15.2771 15.3484 15.3484 15.7833 15.7833 15.8617 15.8617 16.6622 16.6622 16.6799 16.6799 17.4933 17.4933 17.5424 17.5424 18.1139 18.1139 20.9377 20.9377 k = 0.5000 0.5000 0.4487 ( 2448 PWs) bands (ev): -1.0397 -1.0397 -1.0396 -1.0396 1.3859 1.3859 1.5080 1.5080 1.5095 1.5095 7.3444 7.3444 11.5639 11.5639 11.5811 11.5811 11.6332 11.6332 13.3452 13.3452 13.3464 13.3464 13.7440 13.7440 14.1586 14.1586 14.2840 14.2840 14.3663 14.3663 15.1293 15.1293 15.2362 15.2362 15.2912 15.2912 15.7885 15.7885 15.8423 15.8423 16.6499 16.6499 16.6944 16.6944 17.4948 17.4948 17.5267 17.5267 18.0851 18.0851 20.9007 20.9007 k = 0.5000 0.5000 0.4615 ( 2440 PWs) bands (ev): -1.0399 -1.0399 -1.0399 -1.0399 1.3850 1.3850 1.5082 1.5082 1.5091 1.5091 7.3399 7.3399 11.5689 11.5689 11.5793 11.5793 11.6325 11.6325 13.3470 13.3470 13.3479 13.3479 13.7822 13.7822 14.1730 14.1730 14.3418 14.3418 14.3907 14.3907 15.1420 15.1420 15.2007 15.2007 15.2385 15.2385 15.7926 15.7926 15.8246 15.8246 16.6260 16.6260 16.7205 16.7205 17.4964 17.4964 17.5145 17.5145 18.0634 18.0634 20.8706 20.8706 k = 0.5000 0.5000 0.4744 ( 2440 PWs) bands (ev): -1.0401 -1.0401 -1.0401 -1.0401 1.3844 1.3844 1.5084 1.5084 1.5088 1.5088 7.3367 7.3367 11.5724 11.5724 11.5773 11.5773 11.6326 11.6326 13.3483 13.3483 13.3488 13.3488 13.8117 13.8117 14.1812 14.1812 14.3892 14.3892 14.4124 14.4124 15.1506 15.1506 15.1728 15.1728 15.1951 15.1951 15.7955 15.7955 15.8104 15.8104 16.6087 16.6087 16.7398 16.7398 17.4976 17.4976 17.5057 17.5057 18.0482 18.0482 20.8484 20.8484 k = 0.5000 0.5000 0.4872 ( 2440 PWs) bands (ev): -1.0402 -1.0402 -1.0402 -1.0402 1.3840 1.3840 1.5085 1.5085 1.5086 1.5086 7.3348 7.3348 11.5745 11.5745 11.5758 11.5758 11.6330 11.6330 13.3491 13.3491 13.3492 13.3492 13.8304 13.8304 14.1852 14.1852 14.4210 14.4210 14.4271 14.4271 15.1530 15.1530 15.1550 15.1550 15.1685 15.1685 15.7972 15.7972 15.8010 15.8010 16.5982 16.5982 16.7516 16.7516 17.4985 17.4985 17.5005 17.5005 18.0392 18.0392 20.8347 20.8347 k = 0.5000 0.5000 0.5000 ( 2440 PWs) bands (ev): -1.0403 -1.0403 -1.0403 -1.0403 1.3839 1.3839 1.5085 1.5085 1.5085 1.5085 7.3342 7.3342 11.5752 11.5752 11.5752 11.5752 11.6331 11.6331 13.3494 13.3494 13.3494 13.3494 13.8368 13.8368 14.1863 14.1863 14.4323 14.4323 14.4323 14.4323 15.1489 15.1489 15.1489 15.1489 15.1638 15.1638 15.7978 15.7978 15.7978 15.7978 16.5947 16.5947 16.7556 16.7556 17.4987 17.4987 17.4987 17.4987 18.0362 18.0362 20.8301 20.8301 Writing output data file Pt3Pb.save init_run : 0.24s CPU 1.58s WALL ( 1 calls) electrons : 131.09s CPU 133.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 131.08s CPU 133.59s 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 : 0.01s CPU 0.03s WALL ( 301 calls) cegterg : 123.14s CPU 125.13s WALL ( 562 calls) Called by sum_band: Called by *egterg: h_psi : 55.67s CPU 57.29s WALL ( 8610 calls) s_psi : 5.74s CPU 5.56s WALL ( 8610 calls) g_psi : 0.15s CPU 0.17s WALL ( 7747 calls) cdiaghg : 55.56s CPU 56.12s WALL ( 8048 calls) cegterg:over : 4.75s CPU 4.81s WALL ( 7747 calls) cegterg:upda : 3.11s CPU 3.17s WALL ( 7747 calls) cegterg:last : 2.16s CPU 2.17s WALL ( 1465 calls) cdiaghg:chol : 2.89s CPU 3.03s WALL ( 8048 calls) cdiaghg:inve : 2.13s CPU 2.10s WALL ( 8048 calls) cdiaghg:para : 3.42s CPU 3.23s WALL ( 16096 calls) Called by h_psi: h_psi:vloc : 44.37s CPU 45.75s WALL ( 8610 calls) h_psi:vnl : 11.12s CPU 11.38s WALL ( 8610 calls) add_vuspsi : 6.11s CPU 6.20s WALL ( 8610 calls) General routines calbec : 5.00s CPU 5.16s WALL ( 8610 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 40.53s CPU 41.75s WALL ( 940492 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.14s WALL ( 602 calls) Parallel routines fft_scatter : 21.19s CPU 21.96s WALL ( 940515 calls) PWSCF : 2m23.45s CPU 2m37.30s WALL This run was terminated on: 21: 7:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=