Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:59:52 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: ./ScIr.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 32 18 5 838 352 61 Max 34 19 6 841 369 66 Sum 1185 665 213 30215 12965 2301 bravais-lattice index = 14 lattice parameter (alat) = 6.0566 a.u. unit-cell volume = 222.1675 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 57.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.056572 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 Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 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 Ir read from file: /users/gautes/Pseudo/Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd4c837ca97213b67411386bdf0d9b77 Pseudo is Ultrasoft + core correction, Zval = 17.0 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 Sc 11.00 44.95590 Sc( 1.00) Ir 17.00 192.21700 Ir( 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= 381 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0000000 0.0100000 -0.0000000), wk = 0.0026247 k( 3) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0026247 k( 4) = ( 0.0000000 0.0300000 -0.0000000), wk = 0.0026247 k( 5) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0026247 k( 6) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0026247 k( 7) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0026247 k( 8) = ( 0.0000000 0.0700000 -0.0000000), wk = 0.0026247 k( 9) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0026247 k( 10) = ( 0.0000000 0.0900000 -0.0000000), wk = 0.0026247 k( 11) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0026247 k( 12) = ( 0.0000000 0.1100000 -0.0000000), wk = 0.0026247 k( 13) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0026247 k( 14) = ( 0.0000000 0.1300000 -0.0000000), wk = 0.0026247 k( 15) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0026247 k( 16) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0026247 k( 17) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0026247 k( 18) = ( 0.0000000 0.1700000 -0.0000000), wk = 0.0026247 k( 19) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0026247 k( 20) = ( 0.0000000 0.1900000 -0.0000000), wk = 0.0026247 k( 21) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0026247 k( 22) = ( 0.0000000 0.2100000 -0.0000000), wk = 0.0026247 k( 23) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0026247 k( 24) = ( 0.0000000 0.2300000 -0.0000000), wk = 0.0026247 k( 25) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0026247 k( 26) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026247 k( 27) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0026247 k( 28) = ( 0.0000000 0.2700000 -0.0000000), wk = 0.0026247 k( 29) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0026247 k( 30) = ( 0.0000000 0.2900000 -0.0000000), wk = 0.0026247 k( 31) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0026247 k( 32) = ( 0.0000000 0.3100000 -0.0000000), wk = 0.0026247 k( 33) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0026247 k( 34) = ( 0.0000000 0.3300000 -0.0000000), wk = 0.0026247 k( 35) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0026247 k( 36) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0026247 k( 37) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0026247 k( 38) = ( 0.0000000 0.3700000 -0.0000000), wk = 0.0026247 k( 39) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0026247 k( 40) = ( 0.0000000 0.3900000 -0.0000000), wk = 0.0026247 k( 41) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0026247 k( 42) = ( 0.0000000 0.4100000 -0.0000000), wk = 0.0026247 k( 43) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0026247 k( 44) = ( 0.0000000 0.4300000 -0.0000000), wk = 0.0026247 k( 45) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0026247 k( 46) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0026247 k( 47) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0026247 k( 48) = ( 0.0000000 0.4700000 -0.0000000), wk = 0.0026247 k( 49) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0026247 k( 50) = ( 0.0000000 0.4900000 -0.0000000), wk = 0.0026247 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026247 k( 52) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026247 k( 53) = ( 0.0100000 0.5000000 -0.0000000), wk = 0.0026247 k( 54) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0026247 k( 55) = ( 0.0300000 0.5000000 -0.0000000), wk = 0.0026247 k( 56) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0026247 k( 57) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0026247 k( 58) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0026247 k( 59) = ( 0.0700000 0.5000000 -0.0000000), wk = 0.0026247 k( 60) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0026247 k( 61) = ( 0.0900000 0.5000000 -0.0000000), wk = 0.0026247 k( 62) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0026247 k( 63) = ( 0.1100000 0.5000000 -0.0000000), wk = 0.0026247 k( 64) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0026247 k( 65) = ( 0.1300000 0.5000000 -0.0000000), wk = 0.0026247 k( 66) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0026247 k( 67) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0026247 k( 68) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0026247 k( 69) = ( 0.1700000 0.5000000 -0.0000000), wk = 0.0026247 k( 70) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0026247 k( 71) = ( 0.1900000 0.5000000 -0.0000000), wk = 0.0026247 k( 72) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0026247 k( 73) = ( 0.2100000 0.5000000 -0.0000000), wk = 0.0026247 k( 74) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0026247 k( 75) = ( 0.2300000 0.5000000 -0.0000000), wk = 0.0026247 k( 76) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0026247 k( 77) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026247 k( 78) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0026247 k( 79) = ( 0.2700000 0.5000000 -0.0000000), wk = 0.0026247 k( 80) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0026247 k( 81) = ( 0.2900000 0.5000000 -0.0000000), wk = 0.0026247 k( 82) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026247 k( 83) = ( 0.3100000 0.5000000 -0.0000000), wk = 0.0026247 k( 84) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0026247 k( 85) = ( 0.3300000 0.5000000 -0.0000000), wk = 0.0026247 k( 86) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0026247 k( 87) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0026247 k( 88) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0026247 k( 89) = ( 0.3700000 0.5000000 -0.0000000), wk = 0.0026247 k( 90) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0026247 k( 91) = ( 0.3900000 0.5000000 -0.0000000), wk = 0.0026247 k( 92) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026247 k( 93) = ( 0.4100000 0.5000000 -0.0000000), wk = 0.0026247 k( 94) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0026247 k( 95) = ( 0.4300000 0.5000000 -0.0000000), wk = 0.0026247 k( 96) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0026247 k( 97) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0026247 k( 98) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0026247 k( 99) = ( 0.4700000 0.5000000 -0.0000000), wk = 0.0026247 k( 100) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0026247 k( 101) = ( 0.4900000 0.5000000 -0.0000000), wk = 0.0026247 k( 102) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026247 k( 103) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026247 k( 104) = ( 0.4928571 0.4928571 -0.0000000), wk = 0.0026247 k( 105) = ( 0.4857143 0.4857143 -0.0000000), wk = 0.0026247 k( 106) = ( 0.4785714 0.4785714 -0.0000000), wk = 0.0026247 k( 107) = ( 0.4714286 0.4714286 -0.0000000), wk = 0.0026247 k( 108) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0026247 k( 109) = ( 0.4571429 0.4571429 -0.0000000), wk = 0.0026247 k( 110) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0026247 k( 111) = ( 0.4428571 0.4428571 -0.0000000), wk = 0.0026247 k( 112) = ( 0.4357143 0.4357143 -0.0000000), wk = 0.0026247 k( 113) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0026247 k( 114) = ( 0.4214286 0.4214286 -0.0000000), wk = 0.0026247 k( 115) = ( 0.4142857 0.4142857 -0.0000000), wk = 0.0026247 k( 116) = ( 0.4071429 0.4071429 -0.0000000), wk = 0.0026247 k( 117) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0026247 k( 118) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0026247 k( 119) = ( 0.3857143 0.3857143 -0.0000000), wk = 0.0026247 k( 120) = ( 0.3785714 0.3785714 -0.0000000), wk = 0.0026247 k( 121) = ( 0.3714286 0.3714286 -0.0000000), wk = 0.0026247 k( 122) = ( 0.3642857 0.3642857 -0.0000000), wk = 0.0026247 k( 123) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0026247 k( 124) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0026247 k( 125) = ( 0.3428571 0.3428571 -0.0000000), wk = 0.0026247 k( 126) = ( 0.3357143 0.3357143 -0.0000000), wk = 0.0026247 k( 127) = ( 0.3285714 0.3285714 -0.0000000), wk = 0.0026247 k( 128) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0026247 k( 129) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0026247 k( 130) = ( 0.3071429 0.3071429 -0.0000000), wk = 0.0026247 k( 131) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0026247 k( 132) = ( 0.2928571 0.2928571 -0.0000000), wk = 0.0026247 k( 133) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0026247 k( 134) = ( 0.2785714 0.2785714 -0.0000000), wk = 0.0026247 k( 135) = ( 0.2714286 0.2714286 -0.0000000), wk = 0.0026247 k( 136) = ( 0.2642857 0.2642857 -0.0000000), wk = 0.0026247 k( 137) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0026247 k( 138) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0026247 k( 139) = ( 0.2428571 0.2428571 -0.0000000), wk = 0.0026247 k( 140) = ( 0.2357143 0.2357143 -0.0000000), wk = 0.0026247 k( 141) = ( 0.2285714 0.2285714 -0.0000000), wk = 0.0026247 k( 142) = ( 0.2214286 0.2214286 -0.0000000), wk = 0.0026247 k( 143) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0026247 k( 144) = ( 0.2071429 0.2071429 -0.0000000), wk = 0.0026247 k( 145) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0026247 k( 146) = ( 0.1928571 0.1928571 -0.0000000), wk = 0.0026247 k( 147) = ( 0.1857143 0.1857143 -0.0000000), wk = 0.0026247 k( 148) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0026247 k( 149) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0026247 k( 150) = ( 0.1642857 0.1642857 -0.0000000), wk = 0.0026247 k( 151) = ( 0.1571429 0.1571429 -0.0000000), wk = 0.0026247 k( 152) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0026247 k( 153) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0026247 k( 154) = ( 0.1357143 0.1357143 -0.0000000), wk = 0.0026247 k( 155) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0026247 k( 156) = ( 0.1214286 0.1214286 -0.0000000), wk = 0.0026247 k( 157) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0026247 k( 158) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0026247 k( 159) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0026247 k( 160) = ( 0.0928571 0.0928571 -0.0000000), wk = 0.0026247 k( 161) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0026247 k( 162) = ( 0.0785714 0.0785714 -0.0000000), wk = 0.0026247 k( 163) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0026247 k( 164) = ( 0.0642857 0.0642857 -0.0000000), wk = 0.0026247 k( 165) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0026247 k( 166) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0026247 k( 167) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0026247 k( 168) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0026247 k( 169) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0026247 k( 170) = ( 0.0214286 0.0214286 -0.0000000), wk = 0.0026247 k( 171) = ( 0.0142857 0.0142857 -0.0000000), wk = 0.0026247 k( 172) = ( 0.0071429 0.0071429 -0.0000000), wk = 0.0026247 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 175) = ( 0.0058823 0.0058823 0.0058823), wk = 0.0026247 k( 176) = ( 0.0117647 0.0117647 0.0117647), wk = 0.0026247 k( 177) = ( 0.0176471 0.0176471 0.0176471), wk = 0.0026247 k( 178) = ( 0.0235294 0.0235294 0.0235294), wk = 0.0026247 k( 179) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0026247 k( 180) = ( 0.0352941 0.0352941 0.0352941), wk = 0.0026247 k( 181) = ( 0.0411765 0.0411765 0.0411765), wk = 0.0026247 k( 182) = ( 0.0470588 0.0470588 0.0470588), wk = 0.0026247 k( 183) = ( 0.0529412 0.0529412 0.0529412), wk = 0.0026247 k( 184) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0026247 k( 185) = ( 0.0647059 0.0647059 0.0647059), wk = 0.0026247 k( 186) = ( 0.0705882 0.0705882 0.0705882), wk = 0.0026247 k( 187) = ( 0.0764706 0.0764706 0.0764706), wk = 0.0026247 k( 188) = ( 0.0823529 0.0823529 0.0823529), wk = 0.0026247 k( 189) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0026247 k( 190) = ( 0.0941176 0.0941176 0.0941176), wk = 0.0026247 k( 191) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0026247 k( 192) = ( 0.1058824 0.1058823 0.1058823), wk = 0.0026247 k( 193) = ( 0.1117647 0.1117647 0.1117647), wk = 0.0026247 k( 194) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0026247 k( 195) = ( 0.1235294 0.1235294 0.1235294), wk = 0.0026247 k( 196) = ( 0.1294118 0.1294118 0.1294118), wk = 0.0026247 k( 197) = ( 0.1352941 0.1352941 0.1352941), wk = 0.0026247 k( 198) = ( 0.1411765 0.1411765 0.1411765), wk = 0.0026247 k( 199) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0026247 k( 200) = ( 0.1529412 0.1529412 0.1529412), wk = 0.0026247 k( 201) = ( 0.1588235 0.1588235 0.1588235), wk = 0.0026247 k( 202) = ( 0.1647059 0.1647059 0.1647059), wk = 0.0026247 k( 203) = ( 0.1705882 0.1705882 0.1705882), wk = 0.0026247 k( 204) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0026247 k( 205) = ( 0.1823529 0.1823529 0.1823529), wk = 0.0026247 k( 206) = ( 0.1882353 0.1882353 0.1882353), wk = 0.0026247 k( 207) = ( 0.1941177 0.1941176 0.1941176), wk = 0.0026247 k( 208) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0026247 k( 209) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0026247 k( 210) = ( 0.2117647 0.2117647 0.2117647), wk = 0.0026247 k( 211) = ( 0.2176471 0.2176471 0.2176471), wk = 0.0026247 k( 212) = ( 0.2235294 0.2235294 0.2235294), wk = 0.0026247 k( 213) = ( 0.2294118 0.2294118 0.2294118), wk = 0.0026247 k( 214) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0026247 k( 215) = ( 0.2411765 0.2411765 0.2411765), wk = 0.0026247 k( 216) = ( 0.2470588 0.2470588 0.2470588), wk = 0.0026247 k( 217) = ( 0.2529412 0.2529412 0.2529412), wk = 0.0026247 k( 218) = ( 0.2588235 0.2588235 0.2588235), wk = 0.0026247 k( 219) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0026247 k( 220) = ( 0.2705882 0.2705882 0.2705882), wk = 0.0026247 k( 221) = ( 0.2764706 0.2764706 0.2764706), wk = 0.0026247 k( 222) = ( 0.2823529 0.2823529 0.2823529), wk = 0.0026247 k( 223) = ( 0.2882353 0.2882353 0.2882353), wk = 0.0026247 k( 224) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0026247 k( 225) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0026247 k( 226) = ( 0.3058824 0.3058823 0.3058823), wk = 0.0026247 k( 227) = ( 0.3117647 0.3117647 0.3117647), wk = 0.0026247 k( 228) = ( 0.3176471 0.3176471 0.3176471), wk = 0.0026247 k( 229) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0026247 k( 230) = ( 0.3294118 0.3294118 0.3294118), wk = 0.0026247 k( 231) = ( 0.3352941 0.3352941 0.3352941), wk = 0.0026247 k( 232) = ( 0.3411765 0.3411765 0.3411765), wk = 0.0026247 k( 233) = ( 0.3470588 0.3470588 0.3470588), wk = 0.0026247 k( 234) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0026247 k( 235) = ( 0.3588235 0.3588235 0.3588235), wk = 0.0026247 k( 236) = ( 0.3647059 0.3647059 0.3647059), wk = 0.0026247 k( 237) = ( 0.3705882 0.3705882 0.3705882), wk = 0.0026247 k( 238) = ( 0.3764706 0.3764706 0.3764706), wk = 0.0026247 k( 239) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0026247 k( 240) = ( 0.3882353 0.3882353 0.3882353), wk = 0.0026247 k( 241) = ( 0.3941176 0.3941176 0.3941176), wk = 0.0026247 k( 242) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0026247 k( 243) = ( 0.4058824 0.4058823 0.4058823), wk = 0.0026247 k( 244) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0026247 k( 245) = ( 0.4176471 0.4176471 0.4176471), wk = 0.0026247 k( 246) = ( 0.4235294 0.4235294 0.4235294), wk = 0.0026247 k( 247) = ( 0.4294118 0.4294118 0.4294118), wk = 0.0026247 k( 248) = ( 0.4352941 0.4352941 0.4352941), wk = 0.0026247 k( 249) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0026247 k( 250) = ( 0.4470588 0.4470588 0.4470588), wk = 0.0026247 k( 251) = ( 0.4529412 0.4529412 0.4529412), wk = 0.0026247 k( 252) = ( 0.4588235 0.4588235 0.4588235), wk = 0.0026247 k( 253) = ( 0.4647059 0.4647059 0.4647059), wk = 0.0026247 k( 254) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0026247 k( 255) = ( 0.4764706 0.4764706 0.4764706), wk = 0.0026247 k( 256) = ( 0.4823529 0.4823529 0.4823529), wk = 0.0026247 k( 257) = ( 0.4882353 0.4882353 0.4882353), wk = 0.0026247 k( 258) = ( 0.4941177 0.4941176 0.4941176), wk = 0.0026247 k( 259) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 261) = ( 0.4928571 0.5000000 0.4928571), wk = 0.0026247 k( 262) = ( 0.4857143 0.5000000 0.4857143), wk = 0.0026247 k( 263) = ( 0.4785714 0.5000000 0.4785714), wk = 0.0026247 k( 264) = ( 0.4714286 0.5000000 0.4714286), wk = 0.0026247 k( 265) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0026247 k( 266) = ( 0.4571429 0.5000000 0.4571429), wk = 0.0026247 k( 267) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0026247 k( 268) = ( 0.4428571 0.5000000 0.4428571), wk = 0.0026247 k( 269) = ( 0.4357143 0.5000000 0.4357143), wk = 0.0026247 k( 270) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0026247 k( 271) = ( 0.4214286 0.5000000 0.4214286), wk = 0.0026247 k( 272) = ( 0.4142857 0.5000000 0.4142857), wk = 0.0026247 k( 273) = ( 0.4071429 0.5000000 0.4071429), wk = 0.0026247 k( 274) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0026247 k( 275) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0026247 k( 276) = ( 0.3857143 0.5000000 0.3857143), wk = 0.0026247 k( 277) = ( 0.3785714 0.5000000 0.3785714), wk = 0.0026247 k( 278) = ( 0.3714286 0.5000000 0.3714286), wk = 0.0026247 k( 279) = ( 0.3642857 0.5000000 0.3642857), wk = 0.0026247 k( 280) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0026247 k( 281) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0026247 k( 282) = ( 0.3428571 0.5000000 0.3428571), wk = 0.0026247 k( 283) = ( 0.3357143 0.5000000 0.3357143), wk = 0.0026247 k( 284) = ( 0.3285714 0.5000000 0.3285714), wk = 0.0026247 k( 285) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0026247 k( 286) = ( 0.3142857 0.5000000 0.3142857), wk = 0.0026247 k( 287) = ( 0.3071429 0.5000000 0.3071429), wk = 0.0026247 k( 288) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0026247 k( 289) = ( 0.2928571 0.5000000 0.2928571), wk = 0.0026247 k( 290) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0026247 k( 291) = ( 0.2785714 0.5000000 0.2785714), wk = 0.0026247 k( 292) = ( 0.2714286 0.5000000 0.2714286), wk = 0.0026247 k( 293) = ( 0.2642857 0.5000000 0.2642857), wk = 0.0026247 k( 294) = ( 0.2571429 0.5000000 0.2571429), wk = 0.0026247 k( 295) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0026247 k( 296) = ( 0.2428571 0.5000000 0.2428571), wk = 0.0026247 k( 297) = ( 0.2357143 0.5000000 0.2357143), wk = 0.0026247 k( 298) = ( 0.2285714 0.5000000 0.2285714), wk = 0.0026247 k( 299) = ( 0.2214286 0.5000000 0.2214286), wk = 0.0026247 k( 300) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0026247 k( 301) = ( 0.2071429 0.5000000 0.2071429), wk = 0.0026247 k( 302) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0026247 k( 303) = ( 0.1928571 0.5000000 0.1928571), wk = 0.0026247 k( 304) = ( 0.1857143 0.5000000 0.1857143), wk = 0.0026247 k( 305) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0026247 k( 306) = ( 0.1714286 0.5000000 0.1714286), wk = 0.0026247 k( 307) = ( 0.1642857 0.5000000 0.1642857), wk = 0.0026247 k( 308) = ( 0.1571429 0.5000000 0.1571429), wk = 0.0026247 k( 309) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0026247 k( 310) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0026247 k( 311) = ( 0.1357143 0.5000000 0.1357143), wk = 0.0026247 k( 312) = ( 0.1285714 0.5000000 0.1285714), wk = 0.0026247 k( 313) = ( 0.1214286 0.5000000 0.1214286), wk = 0.0026247 k( 314) = ( 0.1142857 0.5000000 0.1142857), wk = 0.0026247 k( 315) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0026247 k( 316) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0026247 k( 317) = ( 0.0928571 0.5000000 0.0928571), wk = 0.0026247 k( 318) = ( 0.0857143 0.5000000 0.0857143), wk = 0.0026247 k( 319) = ( 0.0785714 0.5000000 0.0785714), wk = 0.0026247 k( 320) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0026247 k( 321) = ( 0.0642857 0.5000000 0.0642857), wk = 0.0026247 k( 322) = ( 0.0571429 0.5000000 0.0571429), wk = 0.0026247 k( 323) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0026247 k( 324) = ( 0.0428571 0.5000000 0.0428571), wk = 0.0026247 k( 325) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0026247 k( 326) = ( 0.0285714 0.5000000 0.0285714), wk = 0.0026247 k( 327) = ( 0.0214286 0.5000000 0.0214286), wk = 0.0026247 k( 328) = ( 0.0142857 0.5000000 0.0142857), wk = 0.0026247 k( 329) = ( 0.0071429 0.5000000 0.0071429), wk = 0.0026247 k( 330) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026247 k( 331) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026247 k( 332) = ( 0.5000000 0.5000000 0.0100000), wk = 0.0026247 k( 333) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0026247 k( 334) = ( 0.5000000 0.5000000 0.0300000), wk = 0.0026247 k( 335) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0026247 k( 336) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0026247 k( 337) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0026247 k( 338) = ( 0.5000000 0.5000000 0.0700000), wk = 0.0026247 k( 339) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0026247 k( 340) = ( 0.5000000 0.5000000 0.0900000), wk = 0.0026247 k( 341) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026247 k( 342) = ( 0.5000000 0.5000000 0.1100000), wk = 0.0026247 k( 343) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0026247 k( 344) = ( 0.5000000 0.5000000 0.1300000), wk = 0.0026247 k( 345) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0026247 k( 346) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0026247 k( 347) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0026247 k( 348) = ( 0.5000000 0.5000000 0.1700000), wk = 0.0026247 k( 349) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0026247 k( 350) = ( 0.5000000 0.5000000 0.1900000), wk = 0.0026247 k( 351) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026247 k( 352) = ( 0.5000000 0.5000000 0.2100000), wk = 0.0026247 k( 353) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0026247 k( 354) = ( 0.5000000 0.5000000 0.2300000), wk = 0.0026247 k( 355) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0026247 k( 356) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026247 k( 357) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0026247 k( 358) = ( 0.5000000 0.5000000 0.2700000), wk = 0.0026247 k( 359) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0026247 k( 360) = ( 0.5000000 0.5000000 0.2900000), wk = 0.0026247 k( 361) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026247 k( 362) = ( 0.5000000 0.5000000 0.3100000), wk = 0.0026247 k( 363) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0026247 k( 364) = ( 0.5000000 0.5000000 0.3300000), wk = 0.0026247 k( 365) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0026247 k( 366) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0026247 k( 367) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0026247 k( 368) = ( 0.5000000 0.5000000 0.3700000), wk = 0.0026247 k( 369) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0026247 k( 370) = ( 0.5000000 0.5000000 0.3900000), wk = 0.0026247 k( 371) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026247 k( 372) = ( 0.5000000 0.5000000 0.4100000), wk = 0.0026247 k( 373) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0026247 k( 374) = ( 0.5000000 0.5000000 0.4300000), wk = 0.0026247 k( 375) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0026247 k( 376) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0026247 k( 377) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0026247 k( 378) = ( 0.5000000 0.5000000 0.4700000), wk = 0.0026247 k( 379) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0026247 k( 380) = ( 0.5000000 0.5000000 0.4900000), wk = 0.0026247 k( 381) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0000000 0.0100000 0.0000000), wk = 0.0026247 k( 3) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0026247 k( 4) = ( 0.0000000 0.0300000 0.0000000), wk = 0.0026247 k( 5) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0026247 k( 6) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0026247 k( 7) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0026247 k( 8) = ( 0.0000000 0.0700000 0.0000000), wk = 0.0026247 k( 9) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0026247 k( 10) = ( 0.0000000 0.0900000 0.0000000), wk = 0.0026247 k( 11) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0026247 k( 12) = ( 0.0000000 0.1100000 0.0000000), wk = 0.0026247 k( 13) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0026247 k( 14) = ( 0.0000000 0.1300000 0.0000000), wk = 0.0026247 k( 15) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0026247 k( 16) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0026247 k( 17) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0026247 k( 18) = ( 0.0000000 0.1700000 0.0000000), wk = 0.0026247 k( 19) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0026247 k( 20) = ( 0.0000000 0.1900000 0.0000000), wk = 0.0026247 k( 21) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0026247 k( 22) = ( 0.0000000 0.2100000 0.0000000), wk = 0.0026247 k( 23) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0026247 k( 24) = ( 0.0000000 0.2300000 0.0000000), wk = 0.0026247 k( 25) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0026247 k( 26) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0026247 k( 27) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0026247 k( 28) = ( 0.0000000 0.2700000 0.0000000), wk = 0.0026247 k( 29) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0026247 k( 30) = ( 0.0000000 0.2900000 0.0000000), wk = 0.0026247 k( 31) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0026247 k( 32) = ( 0.0000000 0.3100000 0.0000000), wk = 0.0026247 k( 33) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0026247 k( 34) = ( 0.0000000 0.3300000 0.0000000), wk = 0.0026247 k( 35) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0026247 k( 36) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0026247 k( 37) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0026247 k( 38) = ( 0.0000000 0.3700000 0.0000000), wk = 0.0026247 k( 39) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0026247 k( 40) = ( 0.0000000 0.3900000 0.0000000), wk = 0.0026247 k( 41) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0026247 k( 42) = ( 0.0000000 0.4100000 0.0000000), wk = 0.0026247 k( 43) = ( 0.0000000 0.4200000 0.0000000), wk = 0.0026247 k( 44) = ( 0.0000000 0.4300000 0.0000000), wk = 0.0026247 k( 45) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0026247 k( 46) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0026247 k( 47) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0026247 k( 48) = ( 0.0000000 0.4700000 0.0000000), wk = 0.0026247 k( 49) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0026247 k( 50) = ( 0.0000000 0.4900000 0.0000000), wk = 0.0026247 k( 51) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026247 k( 52) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026247 k( 53) = ( 0.0100000 0.5000000 0.0000000), wk = 0.0026247 k( 54) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0026247 k( 55) = ( 0.0300000 0.5000000 0.0000000), wk = 0.0026247 k( 56) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0026247 k( 57) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0026247 k( 58) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0026247 k( 59) = ( 0.0700000 0.5000000 0.0000000), wk = 0.0026247 k( 60) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0026247 k( 61) = ( 0.0900000 0.5000000 0.0000000), wk = 0.0026247 k( 62) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0026247 k( 63) = ( 0.1100000 0.5000000 0.0000000), wk = 0.0026247 k( 64) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0026247 k( 65) = ( 0.1300000 0.5000000 0.0000000), wk = 0.0026247 k( 66) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0026247 k( 67) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0026247 k( 68) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0026247 k( 69) = ( 0.1700000 0.5000000 0.0000000), wk = 0.0026247 k( 70) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0026247 k( 71) = ( 0.1900000 0.5000000 0.0000000), wk = 0.0026247 k( 72) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0026247 k( 73) = ( 0.2100000 0.5000000 0.0000000), wk = 0.0026247 k( 74) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0026247 k( 75) = ( 0.2300000 0.5000000 0.0000000), wk = 0.0026247 k( 76) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0026247 k( 77) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0026247 k( 78) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0026247 k( 79) = ( 0.2700000 0.5000000 0.0000000), wk = 0.0026247 k( 80) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0026247 k( 81) = ( 0.2900000 0.5000000 0.0000000), wk = 0.0026247 k( 82) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0026247 k( 83) = ( 0.3100000 0.5000000 0.0000000), wk = 0.0026247 k( 84) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0026247 k( 85) = ( 0.3300000 0.5000000 0.0000000), wk = 0.0026247 k( 86) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0026247 k( 87) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0026247 k( 88) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0026247 k( 89) = ( 0.3700000 0.5000000 0.0000000), wk = 0.0026247 k( 90) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0026247 k( 91) = ( 0.3900000 0.5000000 0.0000000), wk = 0.0026247 k( 92) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0026247 k( 93) = ( 0.4100000 0.5000000 0.0000000), wk = 0.0026247 k( 94) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0026247 k( 95) = ( 0.4300000 0.5000000 0.0000000), wk = 0.0026247 k( 96) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0026247 k( 97) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0026247 k( 98) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0026247 k( 99) = ( 0.4700000 0.5000000 0.0000000), wk = 0.0026247 k( 100) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0026247 k( 101) = ( 0.4900000 0.5000000 0.0000000), wk = 0.0026247 k( 102) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026247 k( 103) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026247 k( 104) = ( 0.4928571 0.4928571 0.0000000), wk = 0.0026247 k( 105) = ( 0.4857143 0.4857143 0.0000000), wk = 0.0026247 k( 106) = ( 0.4785714 0.4785714 0.0000000), wk = 0.0026247 k( 107) = ( 0.4714286 0.4714286 0.0000000), wk = 0.0026247 k( 108) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0026247 k( 109) = ( 0.4571429 0.4571429 0.0000000), wk = 0.0026247 k( 110) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0026247 k( 111) = ( 0.4428571 0.4428571 0.0000000), wk = 0.0026247 k( 112) = ( 0.4357143 0.4357143 0.0000000), wk = 0.0026247 k( 113) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0026247 k( 114) = ( 0.4214286 0.4214286 0.0000000), wk = 0.0026247 k( 115) = ( 0.4142857 0.4142857 0.0000000), wk = 0.0026247 k( 116) = ( 0.4071429 0.4071429 -0.0000000), wk = 0.0026247 k( 117) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0026247 k( 118) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0026247 k( 119) = ( 0.3857143 0.3857143 0.0000000), wk = 0.0026247 k( 120) = ( 0.3785714 0.3785714 0.0000000), wk = 0.0026247 k( 121) = ( 0.3714286 0.3714286 0.0000000), wk = 0.0026247 k( 122) = ( 0.3642857 0.3642857 0.0000000), wk = 0.0026247 k( 123) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0026247 k( 124) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0026247 k( 125) = ( 0.3428571 0.3428571 0.0000000), wk = 0.0026247 k( 126) = ( 0.3357143 0.3357143 -0.0000000), wk = 0.0026247 k( 127) = ( 0.3285714 0.3285714 -0.0000000), wk = 0.0026247 k( 128) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0026247 k( 129) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0026247 k( 130) = ( 0.3071429 0.3071429 0.0000000), wk = 0.0026247 k( 131) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0026247 k( 132) = ( 0.2928571 0.2928571 0.0000000), wk = 0.0026247 k( 133) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0026247 k( 134) = ( 0.2785714 0.2785714 0.0000000), wk = 0.0026247 k( 135) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0026247 k( 136) = ( 0.2642857 0.2642857 0.0000000), wk = 0.0026247 k( 137) = ( 0.2571429 0.2571429 0.0000000), wk = 0.0026247 k( 138) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0026247 k( 139) = ( 0.2428571 0.2428571 -0.0000000), wk = 0.0026247 k( 140) = ( 0.2357143 0.2357143 0.0000000), wk = 0.0026247 k( 141) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0026247 k( 142) = ( 0.2214286 0.2214286 0.0000000), wk = 0.0026247 k( 143) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0026247 k( 144) = ( 0.2071429 0.2071429 0.0000000), wk = 0.0026247 k( 145) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0026247 k( 146) = ( 0.1928571 0.1928571 0.0000000), wk = 0.0026247 k( 147) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0026247 k( 148) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0026247 k( 149) = ( 0.1714286 0.1714286 0.0000000), wk = 0.0026247 k( 150) = ( 0.1642857 0.1642857 0.0000000), wk = 0.0026247 k( 151) = ( 0.1571429 0.1571429 -0.0000000), wk = 0.0026247 k( 152) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0026247 k( 153) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0026247 k( 154) = ( 0.1357143 0.1357143 0.0000000), wk = 0.0026247 k( 155) = ( 0.1285714 0.1285714 0.0000000), wk = 0.0026247 k( 156) = ( 0.1214286 0.1214286 -0.0000000), wk = 0.0026247 k( 157) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0026247 k( 158) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0026247 k( 159) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0026247 k( 160) = ( 0.0928571 0.0928571 0.0000000), wk = 0.0026247 k( 161) = ( 0.0857143 0.0857143 0.0000000), wk = 0.0026247 k( 162) = ( 0.0785714 0.0785714 -0.0000000), wk = 0.0026247 k( 163) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0026247 k( 164) = ( 0.0642857 0.0642857 0.0000000), wk = 0.0026247 k( 165) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0026247 k( 166) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0026247 k( 167) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0026247 k( 168) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0026247 k( 169) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0026247 k( 170) = ( 0.0214286 0.0214286 -0.0000000), wk = 0.0026247 k( 171) = ( 0.0142857 0.0142857 0.0000000), wk = 0.0026247 k( 172) = ( 0.0071429 0.0071429 0.0000000), wk = 0.0026247 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 175) = ( 0.0058823 0.0058823 0.0058823), wk = 0.0026247 k( 176) = ( 0.0117647 0.0117647 0.0117647), wk = 0.0026247 k( 177) = ( 0.0176471 0.0176471 0.0176471), wk = 0.0026247 k( 178) = ( 0.0235294 0.0235294 0.0235294), wk = 0.0026247 k( 179) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0026247 k( 180) = ( 0.0352941 0.0352941 0.0352941), wk = 0.0026247 k( 181) = ( 0.0411765 0.0411765 0.0411765), wk = 0.0026247 k( 182) = ( 0.0470588 0.0470588 0.0470588), wk = 0.0026247 k( 183) = ( 0.0529412 0.0529412 0.0529412), wk = 0.0026247 k( 184) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0026247 k( 185) = ( 0.0647059 0.0647059 0.0647059), wk = 0.0026247 k( 186) = ( 0.0705882 0.0705882 0.0705882), wk = 0.0026247 k( 187) = ( 0.0764706 0.0764706 0.0764706), wk = 0.0026247 k( 188) = ( 0.0823529 0.0823529 0.0823529), wk = 0.0026247 k( 189) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0026247 k( 190) = ( 0.0941176 0.0941176 0.0941176), wk = 0.0026247 k( 191) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0026247 k( 192) = ( 0.1058824 0.1058824 0.1058824), wk = 0.0026247 k( 193) = ( 0.1117647 0.1117647 0.1117647), wk = 0.0026247 k( 194) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0026247 k( 195) = ( 0.1235294 0.1235294 0.1235294), wk = 0.0026247 k( 196) = ( 0.1294118 0.1294118 0.1294118), wk = 0.0026247 k( 197) = ( 0.1352941 0.1352941 0.1352941), wk = 0.0026247 k( 198) = ( 0.1411765 0.1411765 0.1411765), wk = 0.0026247 k( 199) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0026247 k( 200) = ( 0.1529412 0.1529412 0.1529412), wk = 0.0026247 k( 201) = ( 0.1588235 0.1588235 0.1588235), wk = 0.0026247 k( 202) = ( 0.1647059 0.1647059 0.1647059), wk = 0.0026247 k( 203) = ( 0.1705882 0.1705882 0.1705882), wk = 0.0026247 k( 204) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0026247 k( 205) = ( 0.1823529 0.1823529 0.1823529), wk = 0.0026247 k( 206) = ( 0.1882353 0.1882353 0.1882353), wk = 0.0026247 k( 207) = ( 0.1941177 0.1941177 0.1941177), wk = 0.0026247 k( 208) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0026247 k( 209) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0026247 k( 210) = ( 0.2117647 0.2117647 0.2117647), wk = 0.0026247 k( 211) = ( 0.2176471 0.2176471 0.2176471), wk = 0.0026247 k( 212) = ( 0.2235294 0.2235294 0.2235294), wk = 0.0026247 k( 213) = ( 0.2294118 0.2294118 0.2294118), wk = 0.0026247 k( 214) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0026247 k( 215) = ( 0.2411765 0.2411765 0.2411765), wk = 0.0026247 k( 216) = ( 0.2470588 0.2470588 0.2470588), wk = 0.0026247 k( 217) = ( 0.2529412 0.2529412 0.2529412), wk = 0.0026247 k( 218) = ( 0.2588235 0.2588235 0.2588235), wk = 0.0026247 k( 219) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0026247 k( 220) = ( 0.2705882 0.2705882 0.2705882), wk = 0.0026247 k( 221) = ( 0.2764706 0.2764706 0.2764706), wk = 0.0026247 k( 222) = ( 0.2823529 0.2823529 0.2823529), wk = 0.0026247 k( 223) = ( 0.2882353 0.2882353 0.2882353), wk = 0.0026247 k( 224) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0026247 k( 225) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0026247 k( 226) = ( 0.3058824 0.3058824 0.3058824), wk = 0.0026247 k( 227) = ( 0.3117647 0.3117647 0.3117647), wk = 0.0026247 k( 228) = ( 0.3176471 0.3176471 0.3176471), wk = 0.0026247 k( 229) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0026247 k( 230) = ( 0.3294118 0.3294118 0.3294118), wk = 0.0026247 k( 231) = ( 0.3352941 0.3352941 0.3352941), wk = 0.0026247 k( 232) = ( 0.3411765 0.3411765 0.3411765), wk = 0.0026247 k( 233) = ( 0.3470588 0.3470588 0.3470588), wk = 0.0026247 k( 234) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0026247 k( 235) = ( 0.3588235 0.3588235 0.3588235), wk = 0.0026247 k( 236) = ( 0.3647059 0.3647059 0.3647059), wk = 0.0026247 k( 237) = ( 0.3705882 0.3705882 0.3705882), wk = 0.0026247 k( 238) = ( 0.3764706 0.3764706 0.3764706), wk = 0.0026247 k( 239) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0026247 k( 240) = ( 0.3882353 0.3882353 0.3882353), wk = 0.0026247 k( 241) = ( 0.3941176 0.3941176 0.3941176), wk = 0.0026247 k( 242) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0026247 k( 243) = ( 0.4058824 0.4058824 0.4058824), wk = 0.0026247 k( 244) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0026247 k( 245) = ( 0.4176471 0.4176471 0.4176471), wk = 0.0026247 k( 246) = ( 0.4235294 0.4235294 0.4235294), wk = 0.0026247 k( 247) = ( 0.4294118 0.4294118 0.4294118), wk = 0.0026247 k( 248) = ( 0.4352941 0.4352941 0.4352941), wk = 0.0026247 k( 249) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0026247 k( 250) = ( 0.4470588 0.4470588 0.4470588), wk = 0.0026247 k( 251) = ( 0.4529412 0.4529412 0.4529412), wk = 0.0026247 k( 252) = ( 0.4588235 0.4588235 0.4588235), wk = 0.0026247 k( 253) = ( 0.4647059 0.4647059 0.4647059), wk = 0.0026247 k( 254) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0026247 k( 255) = ( 0.4764706 0.4764706 0.4764706), wk = 0.0026247 k( 256) = ( 0.4823529 0.4823529 0.4823529), wk = 0.0026247 k( 257) = ( 0.4882353 0.4882353 0.4882353), wk = 0.0026247 k( 258) = ( 0.4941177 0.4941177 0.4941177), wk = 0.0026247 k( 259) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 261) = ( 0.4928571 0.5000000 0.4928571), wk = 0.0026247 k( 262) = ( 0.4857143 0.5000000 0.4857143), wk = 0.0026247 k( 263) = ( 0.4785714 0.5000000 0.4785714), wk = 0.0026247 k( 264) = ( 0.4714286 0.5000000 0.4714286), wk = 0.0026247 k( 265) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0026247 k( 266) = ( 0.4571429 0.5000000 0.4571429), wk = 0.0026247 k( 267) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0026247 k( 268) = ( 0.4428571 0.5000000 0.4428571), wk = 0.0026247 k( 269) = ( 0.4357143 0.5000000 0.4357143), wk = 0.0026247 k( 270) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0026247 k( 271) = ( 0.4214286 0.5000000 0.4214286), wk = 0.0026247 k( 272) = ( 0.4142857 0.5000000 0.4142857), wk = 0.0026247 k( 273) = ( 0.4071429 0.5000000 0.4071429), wk = 0.0026247 k( 274) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0026247 k( 275) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0026247 k( 276) = ( 0.3857143 0.5000000 0.3857143), wk = 0.0026247 k( 277) = ( 0.3785714 0.5000000 0.3785714), wk = 0.0026247 k( 278) = ( 0.3714286 0.5000000 0.3714286), wk = 0.0026247 k( 279) = ( 0.3642857 0.5000000 0.3642857), wk = 0.0026247 k( 280) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0026247 k( 281) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0026247 k( 282) = ( 0.3428571 0.5000000 0.3428571), wk = 0.0026247 k( 283) = ( 0.3357143 0.5000000 0.3357143), wk = 0.0026247 k( 284) = ( 0.3285714 0.5000000 0.3285714), wk = 0.0026247 k( 285) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0026247 k( 286) = ( 0.3142857 0.5000000 0.3142857), wk = 0.0026247 k( 287) = ( 0.3071429 0.5000000 0.3071429), wk = 0.0026247 k( 288) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0026247 k( 289) = ( 0.2928571 0.5000000 0.2928571), wk = 0.0026247 k( 290) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0026247 k( 291) = ( 0.2785714 0.5000000 0.2785714), wk = 0.0026247 k( 292) = ( 0.2714286 0.5000000 0.2714286), wk = 0.0026247 k( 293) = ( 0.2642857 0.5000000 0.2642857), wk = 0.0026247 k( 294) = ( 0.2571429 0.5000000 0.2571429), wk = 0.0026247 k( 295) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0026247 k( 296) = ( 0.2428571 0.5000000 0.2428571), wk = 0.0026247 k( 297) = ( 0.2357143 0.5000000 0.2357143), wk = 0.0026247 k( 298) = ( 0.2285714 0.5000000 0.2285714), wk = 0.0026247 k( 299) = ( 0.2214286 0.5000000 0.2214286), wk = 0.0026247 k( 300) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0026247 k( 301) = ( 0.2071429 0.5000000 0.2071429), wk = 0.0026247 k( 302) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0026247 k( 303) = ( 0.1928571 0.5000000 0.1928571), wk = 0.0026247 k( 304) = ( 0.1857143 0.5000000 0.1857143), wk = 0.0026247 k( 305) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0026247 k( 306) = ( 0.1714286 0.5000000 0.1714286), wk = 0.0026247 k( 307) = ( 0.1642857 0.5000000 0.1642857), wk = 0.0026247 k( 308) = ( 0.1571429 0.5000000 0.1571429), wk = 0.0026247 k( 309) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0026247 k( 310) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0026247 k( 311) = ( 0.1357143 0.5000000 0.1357143), wk = 0.0026247 k( 312) = ( 0.1285714 0.5000000 0.1285714), wk = 0.0026247 k( 313) = ( 0.1214286 0.5000000 0.1214286), wk = 0.0026247 k( 314) = ( 0.1142857 0.5000000 0.1142857), wk = 0.0026247 k( 315) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0026247 k( 316) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0026247 k( 317) = ( 0.0928571 0.5000000 0.0928571), wk = 0.0026247 k( 318) = ( 0.0857143 0.5000000 0.0857143), wk = 0.0026247 k( 319) = ( 0.0785714 0.5000000 0.0785714), wk = 0.0026247 k( 320) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0026247 k( 321) = ( 0.0642857 0.5000000 0.0642857), wk = 0.0026247 k( 322) = ( 0.0571429 0.5000000 0.0571429), wk = 0.0026247 k( 323) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0026247 k( 324) = ( 0.0428571 0.5000000 0.0428571), wk = 0.0026247 k( 325) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0026247 k( 326) = ( 0.0285714 0.5000000 0.0285714), wk = 0.0026247 k( 327) = ( 0.0214286 0.5000000 0.0214286), wk = 0.0026247 k( 328) = ( 0.0142857 0.5000000 0.0142857), wk = 0.0026247 k( 329) = ( 0.0071429 0.5000000 0.0071429), wk = 0.0026247 k( 330) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026247 k( 331) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026247 k( 332) = ( 0.5000000 0.5000000 0.0100000), wk = 0.0026247 k( 333) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0026247 k( 334) = ( 0.5000000 0.5000000 0.0300000), wk = 0.0026247 k( 335) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0026247 k( 336) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0026247 k( 337) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0026247 k( 338) = ( 0.5000000 0.5000000 0.0700000), wk = 0.0026247 k( 339) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0026247 k( 340) = ( 0.5000000 0.5000000 0.0900000), wk = 0.0026247 k( 341) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026247 k( 342) = ( 0.5000000 0.5000000 0.1100000), wk = 0.0026247 k( 343) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0026247 k( 344) = ( 0.5000000 0.5000000 0.1300000), wk = 0.0026247 k( 345) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0026247 k( 346) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0026247 k( 347) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0026247 k( 348) = ( 0.5000000 0.5000000 0.1700000), wk = 0.0026247 k( 349) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0026247 k( 350) = ( 0.5000000 0.5000000 0.1900000), wk = 0.0026247 k( 351) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026247 k( 352) = ( 0.5000000 0.5000000 0.2100000), wk = 0.0026247 k( 353) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0026247 k( 354) = ( 0.5000000 0.5000000 0.2300000), wk = 0.0026247 k( 355) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0026247 k( 356) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026247 k( 357) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0026247 k( 358) = ( 0.5000000 0.5000000 0.2700000), wk = 0.0026247 k( 359) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0026247 k( 360) = ( 0.5000000 0.5000000 0.2900000), wk = 0.0026247 k( 361) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026247 k( 362) = ( 0.5000000 0.5000000 0.3100000), wk = 0.0026247 k( 363) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0026247 k( 364) = ( 0.5000000 0.5000000 0.3300000), wk = 0.0026247 k( 365) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0026247 k( 366) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0026247 k( 367) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0026247 k( 368) = ( 0.5000000 0.5000000 0.3700000), wk = 0.0026247 k( 369) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0026247 k( 370) = ( 0.5000000 0.5000000 0.3900000), wk = 0.0026247 k( 371) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026247 k( 372) = ( 0.5000000 0.5000000 0.4100000), wk = 0.0026247 k( 373) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0026247 k( 374) = ( 0.5000000 0.5000000 0.4300000), wk = 0.0026247 k( 375) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0026247 k( 376) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0026247 k( 377) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0026247 k( 378) = ( 0.5000000 0.5000000 0.4700000), wk = 0.0026247 k( 379) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0026247 k( 380) = ( 0.5000000 0.5000000 0.4900000), wk = 0.0026247 k( 381) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 Dense grid: 30215 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 12965 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 100, 36) NL pseudopotentials 0.05 Mb ( 50, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 839) G-vector shells 0.00 Mb ( 225) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 100, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.07 Mb ( 68, 2, 36) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./ScIr.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.3 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.6 secs Computing kpt #: 10 total cpu time spent up to now is 3.8 secs Computing kpt #: 11 total cpu time spent up to now is 4.0 secs Computing kpt #: 12 total cpu time spent up to now is 4.1 secs Computing kpt #: 13 total cpu time spent up to now is 4.3 secs Computing kpt #: 14 total cpu time spent up to now is 4.4 secs Computing kpt #: 15 total cpu time spent up to now is 4.6 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.9 secs Computing kpt #: 18 total cpu time spent up to now is 5.0 secs Computing kpt #: 19 total cpu time spent up to now is 5.1 secs Computing kpt #: 20 total cpu time spent up to now is 5.3 secs Computing kpt #: 21 total cpu time spent up to now is 5.4 secs Computing kpt #: 22 total cpu time spent up to now is 5.6 secs Computing kpt #: 23 total cpu time spent up to now is 5.7 secs Computing kpt #: 24 total cpu time spent up to now is 5.9 secs Computing kpt #: 25 total cpu time spent up to now is 6.0 secs Computing kpt #: 26 total cpu time spent up to now is 6.1 secs Computing kpt #: 27 total cpu time spent up to now is 6.3 secs Computing kpt #: 28 total cpu time spent up to now is 6.4 secs Computing kpt #: 29 total cpu time spent up to now is 6.6 secs Computing kpt #: 30 total cpu time spent up to now is 6.7 secs Computing kpt #: 31 total cpu time spent up to now is 6.8 secs Computing kpt #: 32 total cpu time spent up to now is 7.0 secs Computing kpt #: 33 total cpu time spent up to now is 7.1 secs Computing kpt #: 34 total cpu time spent up to now is 7.3 secs Computing kpt #: 35 total cpu time spent up to now is 7.4 secs Computing kpt #: 36 total cpu time spent up to now is 7.5 secs Computing kpt #: 37 total cpu time spent up to now is 7.7 secs Computing kpt #: 38 total cpu time spent up to now is 7.8 secs Computing kpt #: 39 total cpu time spent up to now is 8.1 secs Computing kpt #: 40 total cpu time spent up to now is 8.2 secs Computing kpt #: 41 total cpu time spent up to now is 8.3 secs Computing kpt #: 42 total cpu time spent up to now is 8.5 secs Computing kpt #: 43 total cpu time spent up to now is 8.6 secs Computing kpt #: 44 total cpu time spent up to now is 8.7 secs Computing kpt #: 45 total cpu time spent up to now is 8.9 secs Computing kpt #: 46 total cpu time spent up to now is 9.0 secs Computing kpt #: 47 total cpu time spent up to now is 9.1 secs Computing kpt #: 48 total cpu time spent up to now is 9.3 secs Computing kpt #: 49 total cpu time spent up to now is 9.4 secs Computing kpt #: 50 total cpu time spent up to now is 9.5 secs Computing kpt #: 51 total cpu time spent up to now is 9.6 secs Computing kpt #: 52 total cpu time spent up to now is 9.7 secs Computing kpt #: 53 total cpu time spent up to now is 9.9 secs Computing kpt #: 54 total cpu time spent up to now is 10.0 secs Computing kpt #: 55 total cpu time spent up to now is 10.1 secs Computing kpt #: 56 total cpu time spent up to now is 10.2 secs Computing kpt #: 57 total cpu time spent up to now is 10.3 secs Computing kpt #: 58 total cpu time spent up to now is 10.5 secs Computing kpt #: 59 total cpu time spent up to now is 10.6 secs Computing kpt #: 60 total cpu time spent up to now is 10.7 secs Computing kpt #: 61 total cpu time spent up to now is 10.9 secs Computing kpt #: 62 total cpu time spent up to now is 11.0 secs Computing kpt #: 63 total cpu time spent up to now is 11.1 secs Computing kpt #: 64 total cpu time spent up to now is 11.3 secs Computing kpt #: 65 total cpu time spent up to now is 11.4 secs Computing kpt #: 66 total cpu time spent up to now is 11.5 secs Computing kpt #: 67 total cpu time spent up to now is 11.7 secs Computing kpt #: 68 total cpu time spent up to now is 11.8 secs Computing kpt #: 69 total cpu time spent up to now is 12.0 secs Computing kpt #: 70 total cpu time spent up to now is 12.1 secs Computing kpt #: 71 total cpu time spent up to now is 12.2 secs Computing kpt #: 72 total cpu time spent up to now is 12.4 secs Computing kpt #: 73 total cpu time spent up to now is 12.5 secs Computing kpt #: 74 total cpu time spent up to now is 12.7 secs Computing kpt #: 75 total cpu time spent up to now is 12.8 secs Computing kpt #: 76 total cpu time spent up to now is 13.0 secs Computing kpt #: 77 total cpu time spent up to now is 13.1 secs Computing kpt #: 78 total cpu time spent up to now is 13.3 secs Computing kpt #: 79 total cpu time spent up to now is 13.5 secs Computing kpt #: 80 total cpu time spent up to now is 13.7 secs Computing kpt #: 81 total cpu time spent up to now is 13.8 secs Computing kpt #: 82 total cpu time spent up to now is 14.0 secs Computing kpt #: 83 total cpu time spent up to now is 14.1 secs Computing kpt #: 84 total cpu time spent up to now is 14.3 secs Computing kpt #: 85 total cpu time spent up to now is 14.4 secs Computing kpt #: 86 total cpu time spent up to now is 14.6 secs Computing kpt #: 87 total cpu time spent up to now is 14.7 secs Computing kpt #: 88 total cpu time spent up to now is 14.9 secs Computing kpt #: 89 total cpu time spent up to now is 15.1 secs Computing kpt #: 90 total cpu time spent up to now is 15.2 secs Computing kpt #: 91 total cpu time spent up to now is 15.4 secs Computing kpt #: 92 total cpu time spent up to now is 15.5 secs Computing kpt #: 93 total cpu time spent up to now is 15.7 secs Computing kpt #: 94 total cpu time spent up to now is 15.8 secs Computing kpt #: 95 total cpu time spent up to now is 16.0 secs Computing kpt #: 96 total cpu time spent up to now is 16.2 secs Computing kpt #: 97 total cpu time spent up to now is 16.3 secs Computing kpt #: 98 total cpu time spent up to now is 16.5 secs Computing kpt #: 99 total cpu time spent up to now is 16.6 secs Computing kpt #: 100 total cpu time spent up to now is 16.7 secs Computing kpt #: 101 total cpu time spent up to now is 16.9 secs Computing kpt #: 102 total cpu time spent up to now is 17.0 secs Computing kpt #: 103 total cpu time spent up to now is 17.2 secs Computing kpt #: 104 total cpu time spent up to now is 17.3 secs Computing kpt #: 105 total cpu time spent up to now is 17.4 secs Computing kpt #: 106 total cpu time spent up to now is 17.6 secs Computing kpt #: 107 total cpu time spent up to now is 17.7 secs Computing kpt #: 108 total cpu time spent up to now is 17.8 secs Computing kpt #: 109 total cpu time spent up to now is 18.0 secs Computing kpt #: 110 total cpu time spent up to now is 18.1 secs Computing kpt #: 111 total cpu time spent up to now is 18.3 secs Computing kpt #: 112 total cpu time spent up to now is 18.4 secs Computing kpt #: 113 total cpu time spent up to now is 18.6 secs Computing kpt #: 114 total cpu time spent up to now is 18.7 secs Computing kpt #: 115 total cpu time spent up to now is 18.9 secs Computing kpt #: 116 total cpu time spent up to now is 19.0 secs Computing kpt #: 117 total cpu time spent up to now is 19.2 secs Computing kpt #: 118 total cpu time spent up to now is 19.3 secs Computing kpt #: 119 total cpu time spent up to now is 19.5 secs Computing kpt #: 120 total cpu time spent up to now is 19.6 secs Computing kpt #: 121 total cpu time spent up to now is 19.8 secs Computing kpt #: 122 total cpu time spent up to now is 19.9 secs Computing kpt #: 123 total cpu time spent up to now is 20.0 secs Computing kpt #: 124 total cpu time spent up to now is 20.2 secs Computing kpt #: 125 total cpu time spent up to now is 20.3 secs Computing kpt #: 126 total cpu time spent up to now is 20.4 secs Computing kpt #: 127 total cpu time spent up to now is 20.5 secs Computing kpt #: 128 total cpu time spent up to now is 20.7 secs Computing kpt #: 129 total cpu time spent up to now is 20.8 secs Computing kpt #: 130 total cpu time spent up to now is 20.9 secs Computing kpt #: 131 total cpu time spent up to now is 21.0 secs Computing kpt #: 132 total cpu time spent up to now is 21.1 secs Computing kpt #: 133 total cpu time spent up to now is 21.3 secs Computing kpt #: 134 total cpu time spent up to now is 21.4 secs Computing kpt #: 135 total cpu time spent up to now is 21.5 secs Computing kpt #: 136 total cpu time spent up to now is 21.6 secs Computing kpt #: 137 total cpu time spent up to now is 21.8 secs Computing kpt #: 138 total cpu time spent up to now is 21.9 secs Computing kpt #: 139 total cpu time spent up to now is 22.0 secs Computing kpt #: 140 total cpu time spent up to now is 22.1 secs Computing kpt #: 141 total cpu time spent up to now is 22.3 secs Computing kpt #: 142 total cpu time spent up to now is 22.4 secs Computing kpt #: 143 total cpu time spent up to now is 22.5 secs Computing kpt #: 144 total cpu time spent up to now is 22.6 secs Computing kpt #: 145 total cpu time spent up to now is 22.8 secs Computing kpt #: 146 total cpu time spent up to now is 22.9 secs Computing kpt #: 147 total cpu time spent up to now is 23.0 secs Computing kpt #: 148 total cpu time spent up to now is 23.1 secs Computing kpt #: 149 total cpu time spent up to now is 23.2 secs Computing kpt #: 150 total cpu time spent up to now is 23.4 secs Computing kpt #: 151 total cpu time spent up to now is 23.5 secs Computing kpt #: 152 total cpu time spent up to now is 23.6 secs Computing kpt #: 153 total cpu time spent up to now is 23.8 secs Computing kpt #: 154 total cpu time spent up to now is 23.9 secs Computing kpt #: 155 total cpu time spent up to now is 24.0 secs Computing kpt #: 156 total cpu time spent up to now is 24.2 secs Computing kpt #: 157 total cpu time spent up to now is 24.3 secs Computing kpt #: 158 total cpu time spent up to now is 24.5 secs Computing kpt #: 159 total cpu time spent up to now is 24.6 secs Computing kpt #: 160 total cpu time spent up to now is 24.7 secs Computing kpt #: 161 total cpu time spent up to now is 24.9 secs Computing kpt #: 162 total cpu time spent up to now is 25.0 secs Computing kpt #: 163 total cpu time spent up to now is 25.2 secs Computing kpt #: 164 total cpu time spent up to now is 25.3 secs Computing kpt #: 165 total cpu time spent up to now is 25.4 secs Computing kpt #: 166 total cpu time spent up to now is 25.6 secs Computing kpt #: 167 total cpu time spent up to now is 25.8 secs Computing kpt #: 168 total cpu time spent up to now is 25.9 secs Computing kpt #: 169 total cpu time spent up to now is 26.1 secs Computing kpt #: 170 total cpu time spent up to now is 26.2 secs Computing kpt #: 171 total cpu time spent up to now is 26.3 secs Computing kpt #: 172 total cpu time spent up to now is 26.4 secs Computing kpt #: 173 total cpu time spent up to now is 26.5 secs Computing kpt #: 174 total cpu time spent up to now is 26.7 secs Computing kpt #: 175 total cpu time spent up to now is 26.8 secs Computing kpt #: 176 total cpu time spent up to now is 26.9 secs Computing kpt #: 177 total cpu time spent up to now is 27.0 secs Computing kpt #: 178 total cpu time spent up to now is 27.1 secs Computing kpt #: 179 total cpu time spent up to now is 27.3 secs Computing kpt #: 180 total cpu time spent up to now is 27.4 secs Computing kpt #: 181 total cpu time spent up to now is 27.5 secs Computing kpt #: 182 total cpu time spent up to now is 27.6 secs Computing kpt #: 183 total cpu time spent up to now is 27.8 secs Computing kpt #: 184 total cpu time spent up to now is 27.9 secs Computing kpt #: 185 total cpu time spent up to now is 28.1 secs Computing kpt #: 186 total cpu time spent up to now is 28.2 secs Computing kpt #: 187 total cpu time spent up to now is 28.4 secs Computing kpt #: 188 total cpu time spent up to now is 28.5 secs Computing kpt #: 189 total cpu time spent up to now is 28.7 secs Computing kpt #: 190 total cpu time spent up to now is 28.9 secs Computing kpt #: 191 total cpu time spent up to now is 29.0 secs Computing kpt #: 192 total cpu time spent up to now is 29.2 secs Computing kpt #: 193 total cpu time spent up to now is 29.3 secs Computing kpt #: 194 total cpu time spent up to now is 29.5 secs Computing kpt #: 195 total cpu time spent up to now is 29.6 secs Computing kpt #: 196 total cpu time spent up to now is 29.8 secs Computing kpt #: 197 total cpu time spent up to now is 30.0 secs Computing kpt #: 198 total cpu time spent up to now is 30.1 secs Computing kpt #: 199 total cpu time spent up to now is 30.3 secs Computing kpt #: 200 total cpu time spent up to now is 30.5 secs Computing kpt #: 201 total cpu time spent up to now is 30.6 secs Computing kpt #: 202 total cpu time spent up to now is 30.8 secs Computing kpt #: 203 total cpu time spent up to now is 31.0 secs Computing kpt #: 204 total cpu time spent up to now is 31.1 secs Computing kpt #: 205 total cpu time spent up to now is 31.3 secs Computing kpt #: 206 total cpu time spent up to now is 31.4 secs Computing kpt #: 207 total cpu time spent up to now is 31.6 secs Computing kpt #: 208 total cpu time spent up to now is 31.8 secs Computing kpt #: 209 total cpu time spent up to now is 31.9 secs Computing kpt #: 210 total cpu time spent up to now is 32.1 secs Computing kpt #: 211 total cpu time spent up to now is 32.2 secs Computing kpt #: 212 total cpu time spent up to now is 32.4 secs Computing kpt #: 213 total cpu time spent up to now is 32.6 secs Computing kpt #: 214 total cpu time spent up to now is 32.7 secs Computing kpt #: 215 total cpu time spent up to now is 32.9 secs Computing kpt #: 216 total cpu time spent up to now is 33.1 secs Computing kpt #: 217 total cpu time spent up to now is 33.2 secs Computing kpt #: 218 total cpu time spent up to now is 33.4 secs Computing kpt #: 219 total cpu time spent up to now is 33.5 secs Computing kpt #: 220 total cpu time spent up to now is 33.7 secs Computing kpt #: 221 total cpu time spent up to now is 33.8 secs Computing kpt #: 222 total cpu time spent up to now is 33.9 secs Computing kpt #: 223 total cpu time spent up to now is 34.1 secs Computing kpt #: 224 total cpu time spent up to now is 34.2 secs Computing kpt #: 225 total cpu time spent up to now is 34.4 secs Computing kpt #: 226 total cpu time spent up to now is 34.5 secs Computing kpt #: 227 total cpu time spent up to now is 34.6 secs Computing kpt #: 228 total cpu time spent up to now is 34.8 secs Computing kpt #: 229 total cpu time spent up to now is 34.9 secs Computing kpt #: 230 total cpu time spent up to now is 35.0 secs Computing kpt #: 231 total cpu time spent up to now is 35.1 secs Computing kpt #: 232 total cpu time spent up to now is 35.3 secs Computing kpt #: 233 total cpu time spent up to now is 35.4 secs Computing kpt #: 234 total cpu time spent up to now is 35.5 secs Computing kpt #: 235 total cpu time spent up to now is 35.7 secs Computing kpt #: 236 total cpu time spent up to now is 35.8 secs Computing kpt #: 237 total cpu time spent up to now is 35.9 secs Computing kpt #: 238 total cpu time spent up to now is 36.0 secs Computing kpt #: 239 total cpu time spent up to now is 36.1 secs Computing kpt #: 240 total cpu time spent up to now is 36.3 secs Computing kpt #: 241 total cpu time spent up to now is 36.4 secs Computing kpt #: 242 total cpu time spent up to now is 36.5 secs Computing kpt #: 243 total cpu time spent up to now is 36.6 secs Computing kpt #: 244 total cpu time spent up to now is 36.8 secs Computing kpt #: 245 total cpu time spent up to now is 36.9 secs Computing kpt #: 246 total cpu time spent up to now is 37.0 secs Computing kpt #: 247 total cpu time spent up to now is 37.1 secs Computing kpt #: 248 total cpu time spent up to now is 37.2 secs Computing kpt #: 249 total cpu time spent up to now is 37.3 secs Computing kpt #: 250 total cpu time spent up to now is 37.5 secs Computing kpt #: 251 total cpu time spent up to now is 37.6 secs Computing kpt #: 252 total cpu time spent up to now is 37.7 secs Computing kpt #: 253 total cpu time spent up to now is 37.8 secs Computing kpt #: 254 total cpu time spent up to now is 37.9 secs Computing kpt #: 255 total cpu time spent up to now is 38.1 secs Computing kpt #: 256 total cpu time spent up to now is 38.3 secs Computing kpt #: 257 total cpu time spent up to now is 38.4 secs Computing kpt #: 258 total cpu time spent up to now is 38.5 secs Computing kpt #: 259 total cpu time spent up to now is 38.7 secs Computing kpt #: 260 total cpu time spent up to now is 38.8 secs Computing kpt #: 261 total cpu time spent up to now is 39.0 secs Computing kpt #: 262 total cpu time spent up to now is 39.1 secs Computing kpt #: 263 total cpu time spent up to now is 39.2 secs Computing kpt #: 264 total cpu time spent up to now is 39.3 secs Computing kpt #: 265 total cpu time spent up to now is 39.5 secs Computing kpt #: 266 total cpu time spent up to now is 39.6 secs Computing kpt #: 267 total cpu time spent up to now is 39.7 secs Computing kpt #: 268 total cpu time spent up to now is 39.8 secs Computing kpt #: 269 total cpu time spent up to now is 39.9 secs Computing kpt #: 270 total cpu time spent up to now is 40.0 secs Computing kpt #: 271 total cpu time spent up to now is 40.1 secs Computing kpt #: 272 total cpu time spent up to now is 40.3 secs Computing kpt #: 273 total cpu time spent up to now is 40.4 secs Computing kpt #: 274 total cpu time spent up to now is 40.5 secs Computing kpt #: 275 total cpu time spent up to now is 40.6 secs Computing kpt #: 276 total cpu time spent up to now is 40.8 secs Computing kpt #: 277 total cpu time spent up to now is 40.9 secs Computing kpt #: 278 total cpu time spent up to now is 41.0 secs Computing kpt #: 279 total cpu time spent up to now is 41.1 secs Computing kpt #: 280 total cpu time spent up to now is 41.3 secs Computing kpt #: 281 total cpu time spent up to now is 41.4 secs Computing kpt #: 282 total cpu time spent up to now is 41.5 secs Computing kpt #: 283 total cpu time spent up to now is 41.7 secs Computing kpt #: 284 total cpu time spent up to now is 41.8 secs Computing kpt #: 285 total cpu time spent up to now is 41.9 secs Computing kpt #: 286 total cpu time spent up to now is 42.1 secs Computing kpt #: 287 total cpu time spent up to now is 42.2 secs Computing kpt #: 288 total cpu time spent up to now is 42.3 secs Computing kpt #: 289 total cpu time spent up to now is 42.5 secs Computing kpt #: 290 total cpu time spent up to now is 42.6 secs Computing kpt #: 291 total cpu time spent up to now is 42.8 secs Computing kpt #: 292 total cpu time spent up to now is 42.9 secs Computing kpt #: 293 total cpu time spent up to now is 43.0 secs Computing kpt #: 294 total cpu time spent up to now is 43.2 secs Computing kpt #: 295 total cpu time spent up to now is 43.3 secs Computing kpt #: 296 total cpu time spent up to now is 43.5 secs Computing kpt #: 297 total cpu time spent up to now is 43.6 secs Computing kpt #: 298 total cpu time spent up to now is 43.7 secs Computing kpt #: 299 total cpu time spent up to now is 43.9 secs Computing kpt #: 300 total cpu time spent up to now is 44.0 secs Computing kpt #: 301 total cpu time spent up to now is 44.2 secs Computing kpt #: 302 total cpu time spent up to now is 44.3 secs Computing kpt #: 303 total cpu time spent up to now is 44.5 secs Computing kpt #: 304 total cpu time spent up to now is 44.6 secs Computing kpt #: 305 total cpu time spent up to now is 44.8 secs Computing kpt #: 306 total cpu time spent up to now is 45.0 secs Computing kpt #: 307 total cpu time spent up to now is 45.1 secs Computing kpt #: 308 total cpu time spent up to now is 45.3 secs Computing kpt #: 309 total cpu time spent up to now is 45.5 secs Computing kpt #: 310 total cpu time spent up to now is 45.6 secs Computing kpt #: 311 total cpu time spent up to now is 45.8 secs Computing kpt #: 312 total cpu time spent up to now is 46.0 secs Computing kpt #: 313 total cpu time spent up to now is 46.1 secs Computing kpt #: 314 total cpu time spent up to now is 46.3 secs Computing kpt #: 315 total cpu time spent up to now is 46.4 secs Computing kpt #: 316 total cpu time spent up to now is 46.5 secs Computing kpt #: 317 total cpu time spent up to now is 46.7 secs Computing kpt #: 318 total cpu time spent up to now is 46.8 secs Computing kpt #: 319 total cpu time spent up to now is 47.0 secs Computing kpt #: 320 total cpu time spent up to now is 47.1 secs Computing kpt #: 321 total cpu time spent up to now is 47.2 secs Computing kpt #: 322 total cpu time spent up to now is 47.4 secs Computing kpt #: 323 total cpu time spent up to now is 47.5 secs Computing kpt #: 324 total cpu time spent up to now is 47.6 secs Computing kpt #: 325 total cpu time spent up to now is 47.7 secs Computing kpt #: 326 total cpu time spent up to now is 47.9 secs Computing kpt #: 327 total cpu time spent up to now is 48.0 secs Computing kpt #: 328 total cpu time spent up to now is 48.1 secs Computing kpt #: 329 total cpu time spent up to now is 48.2 secs Computing kpt #: 330 total cpu time spent up to now is 48.3 secs Computing kpt #: 331 total cpu time spent up to now is 48.5 secs Computing kpt #: 332 total cpu time spent up to now is 48.6 secs Computing kpt #: 333 total cpu time spent up to now is 48.7 secs Computing kpt #: 334 total cpu time spent up to now is 48.9 secs Computing kpt #: 335 total cpu time spent up to now is 49.0 secs Computing kpt #: 336 total cpu time spent up to now is 49.1 secs Computing kpt #: 337 total cpu time spent up to now is 49.2 secs Computing kpt #: 338 total cpu time spent up to now is 49.4 secs Computing kpt #: 339 total cpu time spent up to now is 49.5 secs Computing kpt #: 340 total cpu time spent up to now is 49.6 secs Computing kpt #: 341 total cpu time spent up to now is 49.7 secs Computing kpt #: 342 total cpu time spent up to now is 49.8 secs Computing kpt #: 343 total cpu time spent up to now is 49.9 secs Computing kpt #: 344 total cpu time spent up to now is 50.0 secs Computing kpt #: 345 total cpu time spent up to now is 50.1 secs Computing kpt #: 346 total cpu time spent up to now is 50.2 secs Computing kpt #: 347 total cpu time spent up to now is 50.4 secs Computing kpt #: 348 total cpu time spent up to now is 50.5 secs Computing kpt #: 349 total cpu time spent up to now is 50.6 secs Computing kpt #: 350 total cpu time spent up to now is 50.7 secs Computing kpt #: 351 total cpu time spent up to now is 50.8 secs Computing kpt #: 352 total cpu time spent up to now is 50.9 secs Computing kpt #: 353 total cpu time spent up to now is 51.0 secs Computing kpt #: 354 total cpu time spent up to now is 51.1 secs Computing kpt #: 355 total cpu time spent up to now is 51.2 secs Computing kpt #: 356 total cpu time spent up to now is 51.3 secs Computing kpt #: 357 total cpu time spent up to now is 51.5 secs Computing kpt #: 358 total cpu time spent up to now is 51.6 secs Computing kpt #: 359 total cpu time spent up to now is 51.7 secs Computing kpt #: 360 total cpu time spent up to now is 51.8 secs Computing kpt #: 361 total cpu time spent up to now is 51.9 secs Computing kpt #: 362 total cpu time spent up to now is 52.0 secs Computing kpt #: 363 total cpu time spent up to now is 52.2 secs Computing kpt #: 364 total cpu time spent up to now is 52.3 secs Computing kpt #: 365 total cpu time spent up to now is 52.4 secs Computing kpt #: 366 total cpu time spent up to now is 52.5 secs Computing kpt #: 367 total cpu time spent up to now is 52.6 secs Computing kpt #: 368 total cpu time spent up to now is 52.8 secs Computing kpt #: 369 total cpu time spent up to now is 52.9 secs Computing kpt #: 370 total cpu time spent up to now is 53.0 secs Computing kpt #: 371 total cpu time spent up to now is 53.1 secs Computing kpt #: 372 total cpu time spent up to now is 53.2 secs Computing kpt #: 373 total cpu time spent up to now is 53.3 secs Computing kpt #: 374 total cpu time spent up to now is 53.4 secs Computing kpt #: 375 total cpu time spent up to now is 53.5 secs Computing kpt #: 376 total cpu time spent up to now is 53.7 secs Computing kpt #: 377 total cpu time spent up to now is 53.8 secs Computing kpt #: 378 total cpu time spent up to now is 53.9 secs Computing kpt #: 379 total cpu time spent up to now is 54.0 secs Computing kpt #: 380 total cpu time spent up to now is 54.2 secs Computing kpt #: 381 total cpu time spent up to now is 54.3 secs ethr = 3.57E-08, avg # of iterations = 13.3 total cpu time spent up to now is 54.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): -73.7792 -73.7792 -40.6171 -40.6171 -30.9034 -30.9034 -27.0817 -27.0817 -27.0817 -27.0817 -9.7790 -9.7790 -9.2615 -9.2615 -9.2615 -9.2615 10.2536 10.2536 13.1895 13.1895 13.1895 13.1895 16.1570 16.1570 16.1570 16.1570 16.7895 16.7895 20.5533 20.5533 20.5533 20.5533 22.5825 22.5825 22.5825 22.5825 k = 0.0000 0.0100-0.0000 ( 1599 PWs) bands (ev): -73.7793 -73.7793 -40.6174 -40.6174 -30.9034 -30.9034 -27.0819 -27.0819 -27.0818 -27.0818 -9.7793 -9.7793 -9.2619 -9.2619 -9.2616 -9.2616 10.2555 10.2555 13.1896 13.1896 13.1902 13.1902 16.1565 16.1565 16.1572 16.1572 16.7894 16.7894 20.5513 20.5513 20.5537 20.5537 22.5756 22.5757 22.5801 22.5801 k = 0.0000 0.0200-0.0000 ( 1607 PWs) bands (ev): -73.7793 -73.7793 -40.6175 -40.6175 -30.9033 -30.9033 -27.0820 -27.0820 -27.0818 -27.0818 -9.7796 -9.7796 -9.2626 -9.2626 -9.2617 -9.2617 10.2615 10.2615 13.1918 13.1918 13.1941 13.1941 16.1551 16.1551 16.1577 16.1577 16.7889 16.7889 20.5457 20.5457 20.5553 20.5553 22.5566 22.5566 22.5729 22.5729 k = 0.0000 0.0300-0.0000 ( 1607 PWs) bands (ev): -73.7793 -73.7793 -40.6175 -40.6175 -30.9032 -30.9032 -27.0823 -27.0823 -27.0818 -27.0818 -9.7800 -9.7800 -9.2637 -9.2637 -9.2617 -9.2617 10.2715 10.2715 13.1957 13.1957 13.2009 13.2009 16.1528 16.1528 16.1585 16.1585 16.7882 16.7882 20.5363 20.5363 20.5579 20.5579 22.5255 22.5255 22.5604 22.5604 k = 0.0000 0.0400-0.0000 ( 1607 PWs) bands (ev): -73.7793 -73.7793 -40.6176 -40.6176 -30.9031 -30.9031 -27.0826 -27.0826 -27.0817 -27.0817 -9.7807 -9.7807 -9.2652 -9.2652 -9.2616 -9.2616 10.2855 10.2855 13.2011 13.2011 13.2104 13.2104 16.1496 16.1496 16.1597 16.1597 16.7872 16.7872 20.5233 20.5233 20.5615 20.5615 22.4835 22.4835 22.5413 22.5413 k = 0.0000 0.0500-0.0000 ( 1607 PWs) bands (ev): -73.7793 -73.7793 -40.6177 -40.6177 -30.9029 -30.9029 -27.0829 -27.0829 -27.0816 -27.0816 -9.7815 -9.7815 -9.2671 -9.2671 -9.2616 -9.2616 10.3034 10.3034 13.2080 13.2080 13.2225 13.2225 16.1455 16.1455 16.1611 16.1611 16.7860 16.7860 20.5066 20.5066 20.5659 20.5659 22.4317 22.4317 22.5139 22.5139 k = 0.0000 0.0600-0.0000 ( 1607 PWs) bands (ev): -73.7793 -73.7793 -40.6178 -40.6178 -30.9027 -30.9027 -27.0834 -27.0834 -27.0815 -27.0815 -9.7825 -9.7825 -9.2694 -9.2694 -9.2615 -9.2615 10.3253 10.3253 13.2164 13.2164 13.2373 13.2373 16.1406 16.1406 16.1628 16.1628 16.7847 16.7847 20.4864 20.4864 20.5712 20.5712 22.3715 22.3715 22.4769 22.4769 k = 0.0000 0.0700-0.0000 ( 1607 PWs) bands (ev): -73.7792 -73.7792 -40.6179 -40.6179 -30.9025 -30.9025 -27.0840 -27.0840 -27.0814 -27.0814 -9.7836 -9.7836 -9.2720 -9.2720 -9.2614 -9.2614 10.3510 10.3510 13.2263 13.2263 13.2547 13.2547 16.1348 16.1348 16.1646 16.1646 16.7832 16.7832 20.4626 20.4626 20.5773 20.5773 22.3042 22.3042 22.4302 22.4302 k = 0.0000 0.0800-0.0000 ( 1611 PWs) bands (ev): -73.7792 -73.7792 -40.6180 -40.6180 -30.9022 -30.9022 -27.0846 -27.0846 -27.0813 -27.0813 -9.7850 -9.7850 -9.2751 -9.2751 -9.2613 -9.2613 10.3806 10.3806 13.2376 13.2376 13.2746 13.2746 16.1283 16.1283 16.1667 16.1667 16.7817 16.7817 20.4354 20.4354 20.5833 20.5833 22.2312 22.2312 22.3749 22.3749 k = 0.0000 0.0900-0.0000 ( 1615 PWs) bands (ev): -73.7792 -73.7792 -40.6182 -40.6182 -30.9019 -30.9019 -27.0853 -27.0853 -27.0811 -27.0811 -9.7866 -9.7866 -9.2785 -9.2785 -9.2613 -9.2613 10.4140 10.4140 13.2505 13.2505 13.2970 13.2970 16.1208 16.1208 16.1688 16.1688 16.7801 16.7801 20.4048 20.4048 20.5903 20.5903 22.1535 22.1535 22.3122 22.3122 k = 0.0000 0.1000-0.0000 ( 1615 PWs) bands (ev): -73.7792 -73.7792 -40.6184 -40.6184 -30.9016 -30.9016 -27.0861 -27.0861 -27.0809 -27.0809 -9.7884 -9.7884 -9.2822 -9.2822 -9.2611 -9.2611 10.4511 10.4511 13.2647 13.2647 13.3219 13.3219 16.1127 16.1127 16.1710 16.1710 16.7788 16.7788 20.3711 20.3711 20.5975 20.5975 22.0724 22.0724 22.2438 22.2438 k = 0.0000 0.1100-0.0000 ( 1623 PWs) bands (ev): -73.7792 -73.7792 -40.6186 -40.6186 -30.9012 -30.9012 -27.0870 -27.0870 -27.0808 -27.0808 -9.7903 -9.7903 -9.2863 -9.2863 -9.2611 -9.2611 10.4919 10.4919 13.2804 13.2804 13.3492 13.3492 16.1036 16.1036 16.1730 16.1730 16.7774 16.7774 20.3340 20.3340 20.6047 20.6047 21.9886 21.9886 22.1707 22.1707 k = 0.0000 0.1200-0.0000 ( 1619 PWs) bands (ev): -73.7791 -73.7791 -40.6188 -40.6188 -30.9008 -30.9008 -27.0879 -27.0879 -27.0806 -27.0806 -9.7924 -9.7924 -9.2905 -9.2905 -9.2609 -9.2609 10.5363 10.5363 13.2975 13.2975 13.3788 13.3788 16.0943 16.0943 16.1751 16.1751 16.7766 16.7766 20.2943 20.2943 20.6116 20.6116 21.9031 21.9031 22.0942 22.0942 k = 0.0000 0.1300-0.0000 ( 1619 PWs) bands (ev): -73.7791 -73.7791 -40.6190 -40.6190 -30.9004 -30.9004 -27.0889 -27.0889 -27.0804 -27.0804 -9.7947 -9.7947 -9.2950 -9.2950 -9.2608 -9.2608 10.5842 10.5842 13.3158 13.3158 13.4106 13.4106 16.0843 16.0843 16.1770 16.1770 16.7762 16.7762 20.2516 20.2516 20.6178 20.6178 21.8166 21.8166 22.0150 22.0150 k = 0.0000 0.1400-0.0000 ( 1615 PWs) bands (ev): -73.7790 -73.7790 -40.6192 -40.6192 -30.9000 -30.9000 -27.0899 -27.0899 -27.0801 -27.0801 -9.7972 -9.7972 -9.2997 -9.2997 -9.2606 -9.2606 10.6356 10.6356 13.3355 13.3355 13.4450 13.4450 16.0738 16.0738 16.1787 16.1787 16.7762 16.7762 20.2061 20.2061 20.6231 20.6231 21.7297 21.7297 21.9338 21.9338 k = 0.0000 0.1500-0.0000 ( 1615 PWs) bands (ev): -73.7790 -73.7790 -40.6194 -40.6194 -30.8995 -30.8995 -27.0910 -27.0910 -27.0799 -27.0799 -9.7999 -9.7999 -9.3046 -9.3046 -9.2605 -9.2605 10.6904 10.6904 13.3565 13.3565 13.4811 13.4811 16.0628 16.0628 16.1801 16.1801 16.7768 16.7768 20.1581 20.1581 20.6269 20.6269 21.6431 21.6431 21.8513 21.8513 k = 0.0000 0.1600-0.0000 ( 1615 PWs) bands (ev): -73.7789 -73.7789 -40.6196 -40.6196 -30.8990 -30.8990 -27.0921 -27.0921 -27.0797 -27.0797 -9.8028 -9.8028 -9.3096 -9.3096 -9.2603 -9.2603 10.7483 10.7483 13.3787 13.3787 13.5191 13.5191 16.0513 16.0513 16.1812 16.1812 16.7781 16.7781 20.1077 20.1077 20.6287 20.6287 21.5573 21.5573 21.7680 21.7680 k = 0.0000 0.1700-0.0000 ( 1615 PWs) bands (ev): -73.7789 -73.7789 -40.6199 -40.6199 -30.8985 -30.8985 -27.0933 -27.0933 -27.0794 -27.0794 -9.8058 -9.8058 -9.3148 -9.3148 -9.2601 -9.2601 10.8094 10.8094 13.4020 13.4020 13.5591 13.5591 16.0394 16.0394 16.1818 16.1818 16.7801 16.7801 20.0550 20.0550 20.6279 20.6279 21.4728 21.4728 21.6844 21.6844 k = 0.0000 0.1800-0.0000 ( 1623 PWs) bands (ev): -73.7788 -73.7788 -40.6202 -40.6202 -30.8980 -30.8980 -27.0946 -27.0946 -27.0792 -27.0792 -9.8091 -9.8091 -9.3201 -9.3201 -9.2600 -9.2600 10.8735 10.8735 13.4264 13.4264 13.6008 13.6008 16.0271 16.0271 16.1818 16.1818 16.7827 16.7827 20.0001 20.0001 20.6237 20.6237 21.3900 21.3900 21.6008 21.6008 k = 0.0000 0.1900-0.0000 ( 1623 PWs) bands (ev): -73.7788 -73.7788 -40.6205 -40.6205 -30.8974 -30.8974 -27.0958 -27.0958 -27.0789 -27.0789 -9.8126 -9.8126 -9.3255 -9.3255 -9.2599 -9.2599 10.9405 10.9405 13.4520 13.4520 13.6443 13.6443 16.0146 16.0146 16.1814 16.1814 16.7865 16.7865 19.9435 19.9435 20.6156 20.6156 21.3096 21.3096 21.5176 21.5176 k = 0.0000 0.2000-0.0000 ( 1615 PWs) bands (ev): -73.7787 -73.7787 -40.6207 -40.6207 -30.8969 -30.8969 -27.0971 -27.0971 -27.0786 -27.0786 -9.8161 -9.8161 -9.3308 -9.3308 -9.2596 -9.2596 11.0102 11.0102 13.4786 13.4786 13.6894 13.6894 16.0019 16.0019 16.1805 16.1805 16.7911 16.7911 19.8853 19.8853 20.6025 20.6025 21.2322 21.2322 21.4353 21.4353 k = 0.0000 0.2100-0.0000 ( 1611 PWs) bands (ev): -73.7786 -73.7786 -40.6209 -40.6209 -30.8963 -30.8963 -27.0984 -27.0984 -27.0783 -27.0783 -9.8198 -9.8198 -9.3361 -9.3361 -9.2594 -9.2594 11.0824 11.0824 13.5060 13.5060 13.7360 13.7360 15.9890 15.9890 16.1791 16.1791 16.7967 16.7967 19.8255 19.8255 20.5842 20.5842 21.1577 21.1577 21.3539 21.3539 k = 0.0000 0.2200-0.0000 ( 1611 PWs) bands (ev): -73.7786 -73.7786 -40.6212 -40.6212 -30.8957 -30.8957 -27.0997 -27.0997 -27.0780 -27.0780 -9.8237 -9.8237 -9.3414 -9.3414 -9.2592 -9.2592 11.1570 11.1570 13.5343 13.5343 13.7839 13.7839 15.9760 15.9760 16.1772 16.1772 16.8033 16.8033 19.7644 19.7644 20.5589 20.5589 21.0865 21.0865 21.2737 21.2737 k = 0.0000 0.2300-0.0000 ( 1611 PWs) bands (ev): -73.7785 -73.7785 -40.6215 -40.6215 -30.8952 -30.8952 -27.1010 -27.1010 -27.0777 -27.0777 -9.8278 -9.8278 -9.3467 -9.3467 -9.2590 -9.2590 11.2338 11.2338 13.5634 13.5634 13.8331 13.8331 15.9628 15.9628 16.1747 16.1747 16.8108 16.8108 19.7022 19.7022 20.5265 20.5265 21.0187 21.0187 21.1949 21.1949 k = 0.0000 0.2400-0.0000 ( 1611 PWs) bands (ev): -73.7785 -73.7785 -40.6218 -40.6218 -30.8946 -30.8946 -27.1024 -27.1024 -27.0774 -27.0774 -9.8320 -9.8320 -9.3520 -9.3520 -9.2588 -9.2588 11.3126 11.3126 13.5931 13.5931 13.8835 13.8835 15.9497 15.9497 16.1717 16.1717 16.8193 16.8193 19.6391 19.6391 20.4869 20.4869 20.9539 20.9539 21.1178 21.1178 k = 0.0000 0.2500-0.0000 ( 1611 PWs) bands (ev): -73.7784 -73.7784 -40.6220 -40.6220 -30.8940 -30.8940 -27.1038 -27.1038 -27.0771 -27.0771 -9.8363 -9.8363 -9.3571 -9.3571 -9.2587 -9.2587 11.3932 11.3932 13.6235 13.6235 13.9350 13.9350 15.9365 15.9365 16.1683 16.1683 16.8286 16.8286 19.5753 19.5753 20.4402 20.4402 20.8914 20.8914 21.0425 21.0425 k = 0.0000 0.2600-0.0000 ( 1619 PWs) bands (ev): -73.7784 -73.7784 -40.6224 -40.6224 -30.8934 -30.8934 -27.1052 -27.1052 -27.0769 -27.0769 -9.8407 -9.8407 -9.3622 -9.3622 -9.2585 -9.2585 11.4752 11.4752 13.6543 13.6543 13.9875 13.9875 15.9231 15.9231 16.1644 16.1644 16.8387 16.8387 19.5110 19.5110 20.3868 20.3868 20.8301 20.8301 20.9691 20.9691 k = 0.0000 0.2700-0.0000 ( 1619 PWs) bands (ev): -73.7783 -73.7783 -40.6227 -40.6227 -30.8928 -30.8928 -27.1066 -27.1066 -27.0766 -27.0766 -9.8452 -9.8452 -9.3670 -9.3670 -9.2583 -9.2583 11.5586 11.5586 13.6855 13.6855 14.0408 14.0408 15.9100 15.9100 16.1602 16.1602 16.8496 16.8496 19.4465 19.4465 20.3277 20.3277 20.7691 20.7691 20.8979 20.8979 k = 0.0000 0.2800-0.0000 ( 1630 PWs) bands (ev): -73.7783 -73.7783 -40.6231 -40.6231 -30.8922 -30.8922 -27.1079 -27.1079 -27.0763 -27.0763 -9.8498 -9.8498 -9.3718 -9.3718 -9.2582 -9.2582 11.6429 11.6429 13.7171 13.7171 14.0950 14.0950 15.8969 15.8969 16.1557 16.1557 16.8609 16.8609 19.3814 19.3814 20.2633 20.2633 20.7075 20.7075 20.8289 20.8289 k = 0.0000 0.2900-0.0000 ( 1618 PWs) bands (ev): -73.7782 -73.7782 -40.6232 -40.6232 -30.8917 -30.8917 -27.1092 -27.1092 -27.0760 -27.0760 -9.8543 -9.8543 -9.3763 -9.3763 -9.2580 -9.2580 11.7279 11.7279 13.7488 13.7488 14.1499 14.1499 15.8843 15.8843 16.1515 16.1515 16.8733 16.8733 19.3171 19.3171 20.1947 20.1947 20.6451 20.6451 20.7624 20.7624 k = 0.0000 0.3000-0.0000 ( 1622 PWs) bands (ev): -73.7781 -73.7781 -40.6236 -40.6236 -30.8911 -30.8911 -27.1105 -27.1105 -27.0757 -27.0757 -9.8589 -9.8589 -9.3807 -9.3807 -9.2578 -9.2578 11.8132 11.8132 13.7805 13.7805 14.2051 14.2051 15.8713 15.8713 16.1467 16.1467 16.8859 16.8859 19.2532 19.2532 20.1219 20.1219 20.5815 20.5815 20.6982 20.6982 k = 0.0000 0.3100-0.0000 ( 1622 PWs) bands (ev): -73.7781 -73.7781 -40.6238 -40.6238 -30.8905 -30.8905 -27.1118 -27.1118 -27.0754 -27.0754 -9.8635 -9.8635 -9.3849 -9.3849 -9.2576 -9.2576 11.8985 11.8985 13.8122 13.8122 14.2611 14.2611 15.8584 15.8584 16.1419 16.1419 16.8990 16.8990 19.1900 19.1900 20.0452 20.0452 20.5172 20.5172 20.6367 20.6367 k = 0.0000 0.3200-0.0000 ( 1622 PWs) bands (ev): -73.7780 -73.7780 -40.6241 -40.6241 -30.8900 -30.8900 -27.1131 -27.1131 -27.0752 -27.0752 -9.8681 -9.8681 -9.3889 -9.3889 -9.2574 -9.2574 11.9834 11.9834 13.8436 13.8436 14.3176 14.3176 15.8455 15.8455 16.1371 16.1371 16.9124 16.9124 19.1277 19.1277 19.9647 19.9647 20.4529 20.4529 20.5778 20.5778 k = 0.0000 0.3300-0.0000 ( 1614 PWs) bands (ev): -73.7779 -73.7779 -40.6243 -40.6243 -30.8895 -30.8895 -27.1142 -27.1142 -27.0749 -27.0749 -9.8725 -9.8725 -9.3926 -9.3926 -9.2572 -9.2572 12.0676 12.0676 13.8746 13.8746 14.3747 14.3747 15.8326 15.8326 16.1324 16.1324 16.9259 16.9259 19.0665 19.0665 19.8807 19.8807 20.3896 20.3896 20.5219 20.5219 k = 0.0000 0.3400-0.0000 ( 1614 PWs) bands (ev): -73.7779 -73.7779 -40.6245 -40.6245 -30.8890 -30.8890 -27.1154 -27.1154 -27.0746 -27.0746 -9.8770 -9.8770 -9.3962 -9.3962 -9.2571 -9.2571 12.1506 12.1506 13.9052 13.9052 14.4319 14.4319 15.8196 15.8196 16.1277 16.1277 16.9395 16.9395 19.0068 19.0068 19.7933 19.7933 20.3280 20.3280 20.4686 20.4686 k = 0.0000 0.3500-0.0000 ( 1614 PWs) bands (ev): -73.7778 -73.7778 -40.6248 -40.6248 -30.8885 -30.8885 -27.1165 -27.1165 -27.0744 -27.0744 -9.8813 -9.8813 -9.3995 -9.3995 -9.2569 -9.2569 12.2318 12.2318 13.9350 13.9350 14.4893 14.4893 15.8065 15.8065 16.1233 16.1233 16.9531 16.9531 18.9488 18.9488 19.7030 19.7030 20.2689 20.2689 20.4182 20.4182 k = 0.0000 0.3600-0.0000 ( 1606 PWs) bands (ev): -73.7778 -73.7778 -40.6249 -40.6249 -30.8880 -30.8880 -27.1175 -27.1175 -27.0741 -27.0741 -9.8854 -9.8854 -9.4026 -9.4026 -9.2567 -9.2567 12.3109 12.3109 13.9640 13.9640 14.5469 14.5469 15.7933 15.7933 16.1192 16.1192 16.9667 16.9667 18.8927 18.8927 19.6106 19.6106 20.2131 20.2131 20.3709 20.3709 k = 0.0000 0.3700-0.0000 ( 1610 PWs) bands (ev): -73.7777 -73.7777 -40.6251 -40.6251 -30.8876 -30.8876 -27.1186 -27.1186 -27.0739 -27.0739 -9.8895 -9.8895 -9.4056 -9.4056 -9.2565 -9.2565 12.3873 12.3873 13.9920 13.9920 14.6044 14.6044 15.7796 15.7796 16.1152 16.1152 16.9799 16.9799 18.8388 18.8388 19.5167 19.5167 20.1607 20.1607 20.3264 20.3264 k = 0.0000 0.3800-0.0000 ( 1610 PWs) bands (ev): -73.7777 -73.7777 -40.6253 -40.6253 -30.8872 -30.8872 -27.1195 -27.1195 -27.0737 -27.0737 -9.8933 -9.8933 -9.4082 -9.4082 -9.2564 -9.2564 12.4606 12.4606 14.0188 14.0188 14.6619 14.6619 15.7655 15.7655 16.1115 16.1115 16.9927 16.9927 18.7874 18.7874 19.4227 19.4227 20.1123 20.1123 20.2850 20.2850 k = 0.0000 0.3900-0.0000 ( 1610 PWs) bands (ev): -73.7777 -73.7777 -40.6255 -40.6255 -30.8868 -30.8868 -27.1204 -27.1204 -27.0735 -27.0735 -9.8970 -9.8970 -9.4107 -9.4107 -9.2563 -9.2563 12.5303 12.5303 14.0442 14.0442 14.7191 14.7191 15.7508 15.7508 16.1081 16.1081 17.0050 17.0050 18.7388 18.7388 19.3296 19.3296 20.0678 20.0678 20.2468 20.2468 k = 0.0000 0.4000-0.0000 ( 1618 PWs) bands (ev): -73.7776 -73.7776 -40.6258 -40.6258 -30.8864 -30.8864 -27.1213 -27.1213 -27.0734 -27.0734 -9.9004 -9.9004 -9.4130 -9.4130 -9.2562 -9.2562 12.5959 12.5959 14.0682 14.0682 14.7758 14.7758 15.7355 15.7355 16.1049 16.1049 17.0167 17.0167 18.6929 18.6929 19.2387 19.2387 20.0272 20.0272 20.2115 20.2115 k = 0.0000 0.4100-0.0000 ( 1618 PWs) bands (ev): -73.7776 -73.7776 -40.6260 -40.6260 -30.8861 -30.8861 -27.1221 -27.1221 -27.0732 -27.0732 -9.9036 -9.9036 -9.4150 -9.4150 -9.2561 -9.2561 12.6569 12.6569 14.0904 14.0904 14.8317 14.8317 15.7194 15.7194 16.1021 16.1021 17.0277 17.0277 18.6506 18.6506 19.1512 19.1512 19.9908 19.9908 20.1797 20.1797 k = 0.0000 0.4200-0.0000 ( 1618 PWs) bands (ev): -73.7776 -73.7776 -40.6261 -40.6261 -30.8858 -30.8858 -27.1227 -27.1227 -27.0730 -27.0730 -9.9065 -9.9065 -9.4168 -9.4168 -9.2560 -9.2560 12.7128 12.7128 14.1108 14.1108 14.8863 14.8863 15.7026 15.7026 16.0997 16.0997 17.0380 17.0380 18.6118 18.6118 19.0686 19.0686 19.9583 19.9583 20.1511 20.1511 k = 0.0000 0.4300-0.0000 ( 1622 PWs) bands (ev): -73.7776 -73.7776 -40.6263 -40.6263 -30.8855 -30.8855 -27.1234 -27.1234 -27.0729 -27.0729 -9.9091 -9.9091 -9.4185 -9.4185 -9.2560 -9.2560 12.7632 12.7632 14.1292 14.1292 14.9392 14.9392 15.6851 15.6851 16.0976 16.0976 17.0473 17.0473 18.5769 18.5769 18.9920 18.9920 19.9297 19.9297 20.1256 20.1256 k = 0.0000 0.4400-0.0000 ( 1622 PWs) bands (ev): -73.7775 -73.7775 -40.6264 -40.6264 -30.8853 -30.8853 -27.1239 -27.1239 -27.0728 -27.0728 -9.9114 -9.9114 -9.4198 -9.4198 -9.2559 -9.2559 12.8078 12.8078 14.1455 14.1455 14.9896 14.9896 15.6669 15.6669 16.0958 16.0958 17.0557 17.0557 18.5461 18.5461 18.9226 18.9226 19.9051 19.9051 20.1036 20.1036 k = 0.0000 0.4500-0.0000 ( 1630 PWs) bands (ev): -73.7775 -73.7775 -40.6266 -40.6266 -30.8851 -30.8851 -27.1244 -27.1244 -27.0727 -27.0727 -9.9134 -9.9134 -9.4210 -9.4210 -9.2558 -9.2558 12.8460 12.8460 14.1595 14.1595 15.0364 15.0364 15.6484 15.6484 16.0942 16.0942 17.0629 17.0629 18.5195 18.5195 18.8615 18.8615 19.8842 19.8842 20.0848 20.0848 k = 0.0000 0.4600-0.0000 ( 1622 PWs) bands (ev): -73.7775 -73.7775 -40.6266 -40.6266 -30.8849 -30.8849 -27.1248 -27.1248 -27.0726 -27.0726 -9.9150 -9.9150 -9.4219 -9.4219 -9.2557 -9.2557 12.8778 12.8778 14.1712 14.1712 15.0789 15.0789 15.6305 15.6305 16.0932 16.0932 17.0691 17.0691 18.4975 18.4975 18.8100 18.8100 19.8674 19.8674 20.0697 20.0697 k = 0.0000 0.4700-0.0000 ( 1622 PWs) bands (ev): -73.7775 -73.7775 -40.6266 -40.6266 -30.8848 -30.8848 -27.1251 -27.1251 -27.0725 -27.0725 -9.9163 -9.9163 -9.4227 -9.4227 -9.2557 -9.2557 12.9027 12.9027 14.1803 14.1803 15.1152 15.1152 15.6138 15.6138 16.0923 16.0923 17.0739 17.0739 18.4802 18.4802 18.7689 18.7689 19.8542 19.8542 20.0577 20.0577 k = 0.0000 0.4800-0.0000 ( 1622 PWs) bands (ev): -73.7775 -73.7775 -40.6267 -40.6267 -30.8847 -30.8847 -27.1253 -27.1253 -27.0725 -27.0725 -9.9172 -9.9172 -9.4232 -9.4232 -9.2556 -9.2556 12.9207 12.9207 14.1869 14.1869 15.1435 15.1435 15.5999 15.5999 16.0916 16.0916 17.0773 17.0773 18.4677 18.4677 18.7389 18.7389 19.8448 19.8448 20.0492 20.0492 k = 0.0000 0.4900-0.0000 ( 1622 PWs) bands (ev): -73.7775 -73.7775 -40.6267 -40.6267 -30.8847 -30.8847 -27.1254 -27.1254 -27.0724 -27.0724 -9.9177 -9.9177 -9.4235 -9.4235 -9.2556 -9.2556 12.9315 12.9315 14.1909 14.1909 15.1617 15.1617 15.5906 15.5906 16.0912 16.0912 17.0794 17.0794 18.4602 18.4602 18.7207 18.7207 19.8392 19.8392 20.0441 20.0441 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): -73.7775 -73.7775 -40.6267 -40.6267 -30.8846 -30.8846 -27.1254 -27.1254 -27.0724 -27.0724 -9.9179 -9.9179 -9.4236 -9.4236 -9.2556 -9.2556 12.9351 12.9351 14.1922 14.1922 15.1680 15.1680 15.5872 15.5872 16.0911 16.0911 17.0801 17.0801 18.4576 18.4576 18.7146 18.7146 19.8373 19.8373 20.0424 20.0424 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): -73.7775 -73.7775 -40.6267 -40.6267 -30.8846 -30.8846 -27.1254 -27.1254 -27.0724 -27.0724 -9.9179 -9.9179 -9.4236 -9.4236 -9.2556 -9.2556 12.9351 12.9351 14.1922 14.1922 15.1680 15.1680 15.5872 15.5872 16.0911 16.0911 17.0801 17.0801 18.4576 18.4576 18.7146 18.7146 19.8373 19.8373 20.0424 20.0424 k = 0.0100 0.5000-0.0000 ( 1622 PWs) bands (ev): -73.7775 -73.7775 -40.6267 -40.6267 -30.8846 -30.8846 -27.1255 -27.1255 -27.0725 -27.0725 -9.9179 -9.9179 -9.4237 -9.4237 -9.2557 -9.2557 12.9361 12.9361 14.1927 14.1927 15.1613 15.1613 15.5916 15.5916 16.0921 16.0921 17.0764 17.0764 18.4606 18.4606 18.7139 18.7139 19.8409 19.8409 20.0453 20.0453 k = 0.0200 0.5000-0.0000 ( 1622 PWs) bands (ev): -73.7775 -73.7775 -40.6267 -40.6267 -30.8845 -30.8845 -27.1255 -27.1255 -27.0726 -27.0726 -9.9179 -9.9179 -9.4238 -9.4238 -9.2561 -9.2561 12.9392 12.9392 14.1940 14.1940 15.1423 15.1423 15.6036 15.6036 16.0950 16.0950 17.0655 17.0655 18.4692 18.4692 18.7120 18.7120 19.8515 19.8515 20.0541 20.0541 k = 0.0300 0.5000-0.0000 ( 1630 PWs) bands (ev): -73.7775 -73.7775 -40.6269 -40.6269 -30.8843 -30.8843 -27.1257 -27.1257 -27.0729 -27.0729 -9.9178 -9.9178 -9.4241 -9.4241 -9.2567 -9.2567 12.9442 12.9442 14.1963 14.1963 15.1131 15.1131 15.6207 15.6207 16.1004 16.1004 17.0474 17.0474 18.4831 18.4831 18.7091 18.7091 19.8684 19.8684 20.0688 20.0688 k = 0.0400 0.5000-0.0000 ( 1634 PWs) bands (ev): -73.7775 -73.7775 -40.6269 -40.6269 -30.8841 -30.8841 -27.1259 -27.1259 -27.0732 -27.0732 -9.9177 -9.9177 -9.4245 -9.4245 -9.2574 -9.2574 12.9510 12.9510 14.1996 14.1996 15.0763 15.0763 15.6399 15.6399 16.1089 16.1089 17.0227 17.0227 18.5018 18.5018 18.7062 18.7062 19.8910 19.8910 20.0898 20.0898 k = 0.0500 0.5000-0.0000 ( 1634 PWs) bands (ev): -73.7775 -73.7775 -40.6270 -40.6270 -30.8838 -30.8838 -27.1261 -27.1261 -27.0736 -27.0736 -9.9176 -9.9176 -9.4249 -9.4249 -9.2584 -9.2584 12.9596 12.9596 14.2041 14.2041 15.0339 15.0339 15.6586 15.6586 16.1214 16.1214 16.9921 16.9921 18.5237 18.5237 18.7043 18.7043 19.9181 19.9181 20.1175 20.1175 k = 0.0600 0.5000-0.0000 ( 1622 PWs) bands (ev): -73.7774 -73.7774 -40.6270 -40.6270 -30.8834 -30.8834 -27.1264 -27.1264 -27.0740 -27.0740 -9.9174 -9.9174 -9.4254 -9.4254 -9.2594 -9.2594 12.9696 12.9696 14.2099 14.2099 14.9877 14.9877 15.6746 15.6746 16.1386 16.1386 16.9563 16.9563 18.5469 18.5469 18.7060 18.7060 19.9487 19.9487 20.1523 20.1523 k = 0.0700 0.5000-0.0000 ( 1622 PWs) bands (ev): -73.7774 -73.7774 -40.6271 -40.6271 -30.8830 -30.8830 -27.1267 -27.1267 -27.0745 -27.0745 -9.9172 -9.9172 -9.4261 -9.4261 -9.2607 -9.2607 12.9810 12.9810 14.2171 14.2171 14.9386 14.9386 15.6863 15.6863 16.1613 16.1613 16.9157 16.9157 18.5664 18.5664 18.7151 18.7151 19.9812 19.9812 20.1942 20.1942 k = 0.0800 0.5000-0.0000 ( 1622 PWs) bands (ev): -73.7774 -73.7774 -40.6272 -40.6272 -30.8825 -30.8825 -27.1271 -27.1271 -27.0751 -27.0751 -9.9170 -9.9170 -9.4269 -9.4269 -9.2621 -9.2621 12.9933 12.9933 14.2258 14.2258 14.8878 14.8878 15.6930 15.6930 16.1896 16.1896 16.8713 16.8713 18.5780 18.5780 18.7359 18.7359 20.0149 20.0149 20.2434 20.2434 k = 0.0900 0.5000-0.0000 ( 1614 PWs) bands (ev): -73.7773 -73.7773 -40.6273 -40.6273 -30.8819 -30.8819 -27.1275 -27.1275 -27.0757 -27.0757 -9.9167 -9.9167 -9.4277 -9.4277 -9.2636 -9.2636 13.0064 13.0064 14.2362 14.2362 14.8360 14.8360 15.6944 15.6944 16.2235 16.2235 16.8240 16.8240 18.5808 18.5808 18.7700 18.7700 20.0490 20.0490 20.2996 20.2996 k = 0.1000 0.5000-0.0000 ( 1614 PWs) bands (ev): -73.7773 -73.7773 -40.6274 -40.6274 -30.8813 -30.8813 -27.1281 -27.1281 -27.0765 -27.0765 -9.9165 -9.9165 -9.4288 -9.4288 -9.2653 -9.2653 13.0199 13.0199 14.2482 14.2482 14.7839 14.7839 15.6907 15.6907 16.2619 16.2619 16.7745 16.7745 18.5767 18.5767 18.8146 18.8146 20.0831 20.0831 20.3619 20.3619 k = 0.1100 0.5000-0.0000 ( 1618 PWs) bands (ev): -73.7772 -73.7772 -40.6276 -40.6276 -30.8806 -30.8806 -27.1286 -27.1286 -27.0773 -27.0773 -9.9163 -9.9163 -9.4300 -9.4300 -9.2670 -9.2670 13.0334 13.0334 14.2615 14.2615 14.7326 14.7326 15.6824 15.6824 16.3039 16.3039 16.7244 16.7244 18.5684 18.5684 18.8670 18.8670 20.1171 20.1171 20.4296 20.4296 k = 0.1200 0.5000-0.0000 ( 1614 PWs) bands (ev): -73.7772 -73.7772 -40.6277 -40.6277 -30.8799 -30.8799 -27.1293 -27.1293 -27.0781 -27.0781 -9.9160 -9.9160 -9.4314 -9.4314 -9.2688 -9.2688 13.0465 13.0465 14.2757 14.2757 14.6835 14.6835 15.6703 15.6703 16.3470 16.3470 16.6759 16.6759 18.5578 18.5578 18.9254 18.9254 20.1510 20.1510 20.5021 20.5021 k = 0.1300 0.5000-0.0000 ( 1612 PWs) bands (ev): -73.7771 -73.7771 -40.6279 -40.6279 -30.8791 -30.8791 -27.1300 -27.1300 -27.0790 -27.0790 -9.9158 -9.9158 -9.4329 -9.4329 -9.2706 -9.2706 13.0590 13.0590 14.2891 14.2891 14.6385 14.6385 15.6548 15.6548 16.3864 16.3864 16.6340 16.6340 18.5459 18.5459 18.9883 18.9883 20.1843 20.1843 20.5784 20.5784 k = 0.1400 0.5000-0.0000 ( 1616 PWs) bands (ev): -73.7771 -73.7771 -40.6281 -40.6281 -30.8783 -30.8783 -27.1307 -27.1307 -27.0799 -27.0799 -9.9157 -9.9157 -9.4346 -9.4346 -9.2725 -9.2725 13.0704 13.0704 14.2987 14.2987 14.6011 14.6011 15.6366 15.6366 16.4100 16.4100 16.6104 16.6104 18.5333 18.5333 19.0550 19.0550 20.2169 20.2169 20.6580 20.6580 k = 0.1500 0.5000-0.0000 ( 1612 PWs) bands (ev): -73.7770 -73.7770 -40.6283 -40.6283 -30.8775 -30.8775 -27.1315 -27.1315 -27.0808 -27.0808 -9.9155 -9.9155 -9.4364 -9.4364 -9.2743 -9.2743 13.0806 13.0806 14.2996 14.2996 14.5768 14.5768 15.6163 15.6163 16.4026 16.4026 16.6211 16.6211 18.5204 18.5204 19.1249 19.1249 20.2490 20.2490 20.7403 20.7403 k = 0.1600 0.5000-0.0000 ( 1612 PWs) bands (ev): -73.7770 -73.7770 -40.6285 -40.6285 -30.8766 -30.8766 -27.1324 -27.1324 -27.0817 -27.0817 -9.9153 -9.9153 -9.4384 -9.4384 -9.2761 -9.2761 13.0891 13.0891 14.2870 14.2870 14.5708 14.5708 15.5941 15.5941 16.3676 16.3676 16.6620 16.6620 18.5074 18.5074 19.1973 19.1973 20.2800 20.2800 20.8246 20.8246 k = 0.1700 0.5000-0.0000 ( 1622 PWs) bands (ev): -73.7770 -73.7770 -40.6288 -40.6288 -30.8756 -30.8756 -27.1334 -27.1334 -27.0827 -27.0827 -9.9153 -9.9153 -9.4406 -9.4406 -9.2779 -9.2779 13.0959 13.0959 14.2598 14.2598 14.5843 14.5843 15.5706 15.5706 16.3200 16.3200 16.7186 16.7186 18.4946 18.4946 19.2717 19.2717 20.3096 20.3096 20.9105 20.9105 k = 0.1800 0.5000-0.0000 ( 1618 PWs) bands (ev): -73.7769 -73.7769 -40.6290 -40.6290 -30.8746 -30.8746 -27.1344 -27.1344 -27.0837 -27.0837 -9.9152 -9.9152 -9.4430 -9.4430 -9.2794 -9.2794 13.1007 13.1007 14.2219 14.2219 14.6138 14.6138 15.5462 15.5462 16.2678 16.2678 16.7833 16.7833 18.4821 18.4821 19.3483 19.3483 20.3378 20.3378 20.9977 20.9977 k = 0.1900 0.5000-0.0000 ( 1618 PWs) bands (ev): -73.7769 -73.7769 -40.6292 -40.6292 -30.8736 -30.8736 -27.1355 -27.1355 -27.0846 -27.0846 -9.9152 -9.9152 -9.4454 -9.4454 -9.2810 -9.2810 13.1036 13.1036 14.1776 14.1776 14.6549 14.6549 15.5212 15.5212 16.2139 16.2139 16.8529 16.8529 18.4701 18.4701 19.4262 19.4262 20.3641 20.3641 21.0856 21.0856 k = 0.2000 0.5000-0.0000 ( 1614 PWs) bands (ev): -73.7768 -73.7768 -40.6294 -40.6294 -30.8726 -30.8726 -27.1366 -27.1366 -27.0855 -27.0855 -9.9152 -9.9152 -9.4480 -9.4480 -9.2824 -9.2824 13.1046 13.1046 14.1298 14.1298 14.7044 14.7044 15.4960 15.4960 16.1600 16.1600 16.9262 16.9262 18.4586 18.4586 19.5054 19.5054 20.3884 20.3884 21.1739 21.1739 k = 0.2100 0.5000-0.0000 ( 1614 PWs) bands (ev): -73.7767 -73.7767 -40.6297 -40.6297 -30.8715 -30.8715 -27.1378 -27.1378 -27.0864 -27.0864 -9.9153 -9.9153 -9.4508 -9.4508 -9.2837 -9.2837 13.1036 13.1036 14.0803 14.0803 14.7600 14.7600 15.4712 15.4712 16.1070 16.1070 17.0023 17.0023 18.4477 18.4477 19.5853 19.5853 20.4101 20.4101 21.2623 21.2623 k = 0.2200 0.5000-0.0000 ( 1614 PWs) bands (ev): -73.7767 -73.7767 -40.6299 -40.6299 -30.8705 -30.8705 -27.1391 -27.1391 -27.0873 -27.0873 -9.9155 -9.9155 -9.4537 -9.4537 -9.2849 -9.2849 13.1008 13.1008 14.0303 14.0303 14.8200 14.8200 15.4475 15.4475 16.0556 16.0556 17.0807 17.0807 18.4373 18.4373 19.6655 19.6655 20.4291 20.4291 21.3505 21.3505 k = 0.2300 0.5000-0.0000 ( 1618 PWs) bands (ev): -73.7766 -73.7766 -40.6302 -40.6302 -30.8694 -30.8694 -27.1404 -27.1404 -27.0882 -27.0882 -9.9158 -9.9158 -9.4567 -9.4567 -9.2860 -9.2860 13.0962 13.0962 13.9802 13.9802 14.8824 14.8824 15.4257 15.4257 16.0066 16.0066 17.1612 17.1612 18.4276 18.4276 19.7459 19.7459 20.4450 20.4450 21.4381 21.4381 k = 0.2400 0.5000-0.0000 ( 1624 PWs) bands (ev): -73.7766 -73.7766 -40.6305 -40.6305 -30.8683 -30.8683 -27.1418 -27.1418 -27.0891 -27.0891 -9.9161 -9.9161 -9.4599 -9.4599 -9.2870 -9.2870 13.0901 13.0901 13.9306 13.9306 14.9446 14.9446 15.4077 15.4077 15.9610 15.9610 17.2436 17.2436 18.4184 18.4184 19.8257 19.8257 20.4575 20.4575 21.5250 21.5250 k = 0.2500 0.5000-0.0000 ( 1624 PWs) bands (ev): -73.7765 -73.7765 -40.6308 -40.6308 -30.8672 -30.8672 -27.1432 -27.1432 -27.0899 -27.0899 -9.9165 -9.9165 -9.4630 -9.4630 -9.2878 -9.2878 13.0827 13.0827 13.8819 13.8819 15.0029 15.0029 15.3958 15.3958 15.9200 15.9200 17.3275 17.3275 18.4100 18.4100 19.9052 19.9052 20.4664 20.4664 21.6108 21.6108 k = 0.2600 0.5000-0.0000 ( 1624 PWs) bands (ev): -73.7765 -73.7765 -40.6310 -40.6310 -30.8661 -30.8661 -27.1446 -27.1446 -27.0907 -27.0907 -9.9170 -9.9170 -9.4662 -9.4662 -9.2884 -9.2884 13.0740 13.0740 13.8341 13.8341 15.0517 15.0517 15.3933 15.3933 15.8856 15.8856 17.4127 17.4127 18.4023 18.4023 19.9835 19.9835 20.4716 20.4716 21.6953 21.6953 k = 0.2700 0.5000-0.0000 ( 1618 PWs) bands (ev): -73.7764 -73.7764 -40.6312 -40.6312 -30.8650 -30.8650 -27.1461 -27.1461 -27.0914 -27.0914 -9.9174 -9.9174 -9.4694 -9.4694 -9.2889 -9.2889 13.0644 13.0644 13.7875 13.7875 15.0852 15.0852 15.4030 15.4030 15.8612 15.8612 17.4991 17.4991 18.3952 18.3952 20.0601 20.0601 20.4731 20.4731 21.7783 21.7783 k = 0.2800 0.5000-0.0000 ( 1612 PWs) bands (ev): -73.7763 -73.7763 -40.6314 -40.6314 -30.8639 -30.8639 -27.1475 -27.1475 -27.0921 -27.0921 -9.9180 -9.9180 -9.4725 -9.4725 -9.2893 -9.2893 13.0539 13.0539 13.7423 13.7423 15.1006 15.1006 15.4223 15.4223 15.8520 15.8520 17.5862 17.5862 18.3889 18.3889 20.1339 20.1339 20.4711 20.4711 21.8594 21.8594 k = 0.2900 0.5000-0.0000 ( 1614 PWs) bands (ev): -73.7763 -73.7763 -40.6317 -40.6317 -30.8628 -30.8628 -27.1490 -27.1490 -27.0928 -27.0928 -9.9187 -9.9187 -9.4757 -9.4757 -9.2897 -9.2897 13.0426 13.0426 13.6985 13.6985 15.1007 15.1007 15.4414 15.4414 15.8645 15.8645 17.6738 17.6738 18.3831 18.3831 20.2030 20.2030 20.4670 20.4670 21.9385 21.9385 k = 0.3000 0.5000-0.0000 ( 1618 PWs) bands (ev): -73.7762 -73.7762 -40.6320 -40.6320 -30.8618 -30.8618 -27.1505 -27.1505 -27.0934 -27.0934 -9.9194 -9.9194 -9.4789 -9.4789 -9.2899 -9.2899 13.0309 13.0309 13.6562 13.6562 15.0905 15.0905 15.4505 15.4505 15.9033 15.9033 17.7615 17.7615 18.3779 18.3779 20.2631 20.2631 20.4644 20.4644 22.0153 22.0153 k = 0.3100 0.5000-0.0000 ( 1606 PWs) bands (ev): -73.7761 -73.7761 -40.6321 -40.6321 -30.8607 -30.8607 -27.1520 -27.1520 -27.0940 -27.0940 -9.9202 -9.9202 -9.4819 -9.4819 -9.2900 -9.2900 13.0190 13.0190 13.6158 13.6158 15.0746 15.0746 15.4468 15.4468 15.9675 15.9675 17.8492 17.8492 18.3736 18.3736 20.3046 20.3046 20.4731 20.4731 22.0897 22.0897 k = 0.3200 0.5000-0.0000 ( 1606 PWs) bands (ev): -73.7761 -73.7761 -40.6324 -40.6324 -30.8597 -30.8597 -27.1534 -27.1534 -27.0945 -27.0945 -9.9210 -9.9210 -9.4849 -9.4849 -9.2901 -9.2901 13.0068 13.0068 13.5769 13.5769 15.0553 15.0553 15.4328 15.4328 16.0512 16.0512 17.9362 17.9362 18.3699 18.3699 20.3152 20.3152 20.5039 20.5039 22.1613 22.1613 k = 0.3300 0.5000-0.0000 ( 1602 PWs) bands (ev): -73.7760 -73.7760 -40.6325 -40.6325 -30.8587 -30.8587 -27.1548 -27.1548 -27.0950 -27.0950 -9.9218 -9.9218 -9.4877 -9.4877 -9.2901 -9.2901 12.9945 12.9945 13.5398 13.5398 15.0345 15.0345 15.4126 15.4126 16.1488 16.1488 18.0222 18.0222 18.3671 18.3671 20.2992 20.2992 20.5528 20.5528 22.2299 22.2299 k = 0.3400 0.5000-0.0000 ( 1602 PWs) bands (ev): -73.7760 -73.7760 -40.6328 -40.6328 -30.8578 -30.8578 -27.1563 -27.1563 -27.0955 -27.0955 -9.9228 -9.9228 -9.4905 -9.4905 -9.2900 -9.2900 12.9822 12.9822 13.5045 13.5045 15.0129 15.0129 15.3892 15.3892 16.2560 16.2560 18.1064 18.1064 18.3653 18.3653 20.2669 20.2669 20.6085 20.6085 22.2954 22.2954 k = 0.3500 0.5000-0.0000 ( 1610 PWs) bands (ev): -73.7759 -73.7759 -40.6331 -40.6331 -30.8569 -30.8569 -27.1577 -27.1577 -27.0960 -27.0960 -9.9238 -9.9238 -9.4932 -9.4932 -9.2900 -9.2900 12.9699 12.9699 13.4709 13.4709 14.9910 14.9910 15.3643 15.3643 16.3701 16.3701 18.1877 18.1877 18.3651 18.3651 20.2240 20.2240 20.6654 20.6654 22.3573 22.3573 k = 0.3600 0.5000-0.0000 ( 1606 PWs) bands (ev): -73.7759 -73.7759 -40.6332 -40.6332 -30.8560 -30.8560 -27.1590 -27.1590 -27.0964 -27.0964 -9.9247 -9.9247 -9.4957 -9.4957 -9.2898 -9.2898 12.9581 12.9581 13.4395 13.4395 14.9698 14.9698 15.3396 15.3396 16.4894 16.4894 18.2633 18.2633 18.3690 18.3690 20.1732 20.1732 20.7211 20.7211 22.4157 22.4157 k = 0.3700 0.5000-0.0000 ( 1614 PWs) bands (ev): -73.7759 -73.7759 -40.6335 -40.6335 -30.8552 -30.8552 -27.1603 -27.1603 -27.0968 -27.0968 -9.9257 -9.9257 -9.4981 -9.4981 -9.2897 -9.2897 12.9464 12.9464 13.4099 13.4099 14.9490 14.9490 15.3153 15.3153 16.6124 16.6124 18.3201 18.3201 18.3893 18.3893 20.1152 20.1152 20.7740 20.7740 22.4701 22.4701 k = 0.3800 0.5000-0.0000 ( 1614 PWs) bands (ev): -73.7758 -73.7758 -40.6337 -40.6337 -30.8544 -30.8544 -27.1615 -27.1615 -27.0972 -27.0972 -9.9267 -9.9267 -9.5003 -9.5003 -9.2895 -9.2895 12.9355 12.9355 13.3825 13.3825 14.9292 14.9292 15.2923 15.2923 16.7383 16.7383 18.3406 18.3406 18.4429 18.4429 20.0510 20.0510 20.8238 20.8238 22.5203 22.5203 k = 0.3900 0.5000-0.0000 ( 1616 PWs) bands (ev): -73.7758 -73.7758 -40.6339 -40.6339 -30.8536 -30.8536 -27.1626 -27.1626 -27.0975 -27.0975 -9.9276 -9.9276 -9.5023 -9.5023 -9.2893 -9.2893 12.9252 12.9252 13.3571 13.3571 14.9104 14.9104 15.2705 15.2705 16.8659 16.8659 18.3462 18.3462 18.5076 18.5076 19.9817 19.9817 20.8700 20.8700 22.5662 22.5662 k = 0.4000 0.5000-0.0000 ( 1616 PWs) bands (ev): -73.7757 -73.7757 -40.6340 -40.6340 -30.8530 -30.8530 -27.1637 -27.1637 -27.0978 -27.0978 -9.9285 -9.9285 -9.5042 -9.5042 -9.2891 -9.2891 12.9156 12.9156 13.3339 13.3339 14.8929 14.8929 15.2504 15.2504 16.9947 16.9947 18.3493 18.3493 18.5702 18.5702 19.9079 19.9079 20.9121 20.9121 22.6072 22.6072 k = 0.4100 0.5000-0.0000 ( 1624 PWs) bands (ev): -73.7757 -73.7757 -40.6342 -40.6342 -30.8523 -30.8523 -27.1647 -27.1647 -27.0981 -27.0981 -9.9295 -9.9295 -9.5060 -9.5060 -9.2889 -9.2889 12.9064 12.9064 13.3126 13.3126 14.8766 14.8766 15.2318 15.2318 17.1234 17.1234 18.3522 18.3522 18.6270 18.6270 19.8311 19.8311 20.9501 20.9501 22.6429 22.6429 k = 0.4200 0.5000-0.0000 ( 1624 PWs) bands (ev): -73.7757 -73.7757 -40.6344 -40.6344 -30.8518 -30.8518 -27.1656 -27.1656 -27.0983 -27.0983 -9.9303 -9.9303 -9.5075 -9.5075 -9.2887 -9.2887 12.8982 12.8982 13.2937 13.2937 14.8619 14.8619 15.2151 15.2151 17.2511 17.2511 18.3560 18.3560 18.6760 18.6760 19.7529 19.7529 20.9838 20.9838 22.6705 22.6705 k = 0.4300 0.5000-0.0000 ( 1624 PWs) bands (ev): -73.7757 -73.7757 -40.6345 -40.6345 -30.8513 -30.8513 -27.1664 -27.1664 -27.0985 -27.0985 -9.9310 -9.9310 -9.5089 -9.5089 -9.2885 -9.2885 12.8909 12.8909 13.2769 13.2769 14.8487 14.8487 15.2003 15.2003 17.3766 17.3766 18.3613 18.3613 18.7149 18.7149 19.6755 19.6755 21.0132 21.0132 22.6795 22.6795 k = 0.4400 0.5000-0.0000 ( 1624 PWs) bands (ev): -73.7757 -73.7757 -40.6346 -40.6346 -30.8508 -30.8508 -27.1671 -27.1671 -27.0987 -27.0987 -9.9317 -9.9317 -9.5100 -9.5100 -9.2884 -9.2884 12.8845 12.8845 13.2623 13.2623 14.8372 14.8372 15.1875 15.1875 17.4979 17.4979 18.3689 18.3689 18.7410 18.7410 19.6017 19.6017 21.0382 21.0382 22.6707 22.6707 k = 0.4500 0.5000-0.0000 ( 1624 PWs) bands (ev): -73.7756 -73.7756 -40.6347 -40.6347 -30.8505 -30.8505 -27.1677 -27.1677 -27.0989 -27.0989 -9.9323 -9.9323 -9.5110 -9.5110 -9.2882 -9.2882 12.8789 12.8789 13.2499 13.2499 14.8273 14.8273 15.1765 15.1765 17.6127 17.6127 18.3802 18.3802 18.7517 18.7517 19.5351 19.5351 21.0590 21.0590 22.6589 22.6589 k = 0.4600 0.5000-0.0000 ( 1624 PWs) bands (ev): -73.7756 -73.7756 -40.6347 -40.6347 -30.8502 -30.8502 -27.1682 -27.1682 -27.0990 -27.0990 -9.9327 -9.9327 -9.5118 -9.5118 -9.2881 -9.2881 12.8744 12.8744 13.2398 13.2398 14.8190 14.8190 15.1674 15.1674 17.7176 17.7176 18.3969 18.3969 18.7443 18.7443 19.4791 19.4791 21.0757 21.0757 22.6481 22.6481 k = 0.4700 0.5000-0.0000 ( 1628 PWs) bands (ev): -73.7756 -73.7756 -40.6348 -40.6348 -30.8499 -30.8499 -27.1686 -27.1686 -27.0991 -27.0991 -9.9332 -9.9332 -9.5125 -9.5125 -9.2880 -9.2880 12.8707 12.8707 13.2319 13.2319 14.8126 14.8126 15.1604 15.1604 17.8077 17.8077 18.4215 18.4215 18.7181 18.7181 19.4364 19.4364 21.0885 21.0885 22.6392 22.6392 k = 0.4800 0.5000-0.0000 ( 1628 PWs) bands (ev): -73.7756 -73.7756 -40.6349 -40.6349 -30.8497 -30.8497 -27.1689 -27.1689 -27.0991 -27.0991 -9.9334 -9.9334 -9.5129 -9.5129 -9.2879 -9.2879 12.8681 12.8681 13.2262 13.2262 14.8080 14.8080 15.1554 15.1554 17.8776 17.8776 18.4565 18.4565 18.6749 18.6749 19.4075 19.4075 21.0974 21.0974 22.6327 22.6327 k = 0.4900 0.5000-0.0000 ( 1628 PWs) bands (ev): -73.7756 -73.7756 -40.6349 -40.6349 -30.8496 -30.8496 -27.1690 -27.1690 -27.0992 -27.0992 -9.9336 -9.9336 -9.5132 -9.5132 -9.2879 -9.2879 12.8665 12.8665 13.2228 13.2228 14.8053 14.8053 15.1524 15.1524 17.9219 17.9219 18.5029 18.5029 18.6204 18.6204 19.3914 19.3914 21.1028 21.1028 22.6288 22.6288 k = 0.5000 0.5000-0.0000 ( 1628 PWs) bands (ev): -73.7756 -73.7756 -40.6349 -40.6349 -30.8496 -30.8496 -27.1691 -27.1691 -27.0992 -27.0992 -9.9337 -9.9337 -9.5133 -9.5133 -9.2879 -9.2879 12.8660 12.8660 13.2217 13.2217 14.8043 14.8043 15.1514 15.1514 17.9370 17.9370 18.5494 18.5494 18.5706 18.5706 19.3862 19.3862 21.1045 21.1045 22.6275 22.6275 k = 0.5000 0.5000-0.0000 ( 1628 PWs) bands (ev): -73.7756 -73.7756 -40.6349 -40.6349 -30.8496 -30.8496 -27.1691 -27.1691 -27.0992 -27.0992 -9.9337 -9.9337 -9.5133 -9.5133 -9.2879 -9.2879 12.8660 12.8660 13.2217 13.2217 14.8043 14.8043 15.1514 15.1514 17.9370 17.9370 18.5494 18.5494 18.5706 18.5706 19.3862 19.3862 21.1045 21.1045 22.6275 22.6275 k = 0.4929 0.4929-0.0000 ( 1628 PWs) bands (ev): -73.7756 -73.7756 -40.6349 -40.6349 -30.8496 -30.8496 -27.1690 -27.1690 -27.0992 -27.0992 -9.9336 -9.9336 -9.5132 -9.5132 -9.2879 -9.2879 12.8666 12.8666 13.2228 13.2228 14.8053 14.8053 15.1524 15.1524 17.9217 17.9217 18.5005 18.5005 18.6228 18.6228 19.3913 19.3913 21.1027 21.1027 22.6288 22.6288 k = 0.4857 0.4857-0.0000 ( 1628 PWs) bands (ev): -73.7756 -73.7756 -40.6349 -40.6349 -30.8497 -30.8497 -27.1689 -27.1689 -27.0991 -27.0991 -9.9334 -9.9334 -9.5129 -9.5129 -9.2879 -9.2879 12.8681 12.8681 13.2263 13.2263 14.8081 14.8081 15.1555 15.1555 17.8788 17.8788 18.4414 18.4414 18.6897 18.6897 19.4061 19.4061 21.0973 21.0973 22.6329 22.6329 k = 0.4786 0.4786-0.0000 ( 1628 PWs) bands (ev): -73.7756 -73.7756 -40.6348 -40.6348 -30.8499 -30.8499 -27.1686 -27.1686 -27.0991 -27.0991 -9.9331 -9.9331 -9.5125 -9.5125 -9.2880 -9.2880 12.8707 12.8707 13.2321 13.2321 14.8128 14.8128 15.1606 15.1606 17.8146 17.8146 18.3768 18.3768 18.7619 18.7619 19.4290 19.4290 21.0884 21.0884 22.6396 22.6396 k = 0.4714 0.4714-0.0000 ( 1624 PWs) bands (ev): -73.7756 -73.7756 -40.6347 -40.6347 -30.8502 -30.8502 -27.1682 -27.1682 -27.0990 -27.0990 -9.9327 -9.9327 -9.5118 -9.5118 -9.2881 -9.2881 12.8742 12.8742 13.2403 13.2403 14.8192 14.8192 15.1678 15.1678 17.7354 17.7354 18.3046 18.3046 18.8373 18.8373 19.4582 19.4582 21.0761 21.0761 22.6491 22.6491 k = 0.4643 0.4643-0.0000 ( 1624 PWs) bands (ev): -73.7756 -73.7756 -40.6347 -40.6347 -30.8505 -30.8505 -27.1677 -27.1677 -27.0989 -27.0989 -9.9322 -9.9322 -9.5110 -9.5110 -9.2882 -9.2882 12.8784 12.8784 13.2508 13.2508 14.8276 14.8276 15.1772 15.1772 17.6460 17.6460 18.2245 18.2245 18.9135 18.9135 19.4920 19.4920 21.0603 21.0603 22.6609 22.6609 k = 0.4571 0.4571-0.0000 ( 1624 PWs) bands (ev): -73.7757 -73.7757 -40.6346 -40.6346 -30.8509 -30.8509 -27.1670 -27.1670 -27.0987 -27.0987 -9.9316 -9.9316 -9.5100 -9.5100 -9.2884 -9.2884 12.8832 12.8832 13.2637 13.2637 14.8376 14.8376 15.1885 15.1885 17.5499 17.5499 18.1369 18.1369 18.9884 18.9884 19.5290 19.5290 21.0413 21.0413 22.6736 22.6736 k = 0.4500 0.4500-0.0000 ( 1624 PWs) bands (ev): -73.7757 -73.7757 -40.6345 -40.6345 -30.8513 -30.8513 -27.1663 -27.1663 -27.0985 -27.0985 -9.9308 -9.9308 -9.5088 -9.5088 -9.2886 -9.2886 12.8885 12.8885 13.2791 13.2791 14.8491 14.8491 15.2018 15.2018 17.4491 17.4491 18.0427 18.0427 19.0602 19.0602 19.5686 19.5686 21.0192 21.0192 22.6726 22.6726 k = 0.4429 0.4429-0.0000 ( 1624 PWs) bands (ev): -73.7757 -73.7757 -40.6344 -40.6344 -30.8518 -30.8518 -27.1655 -27.1655 -27.0983 -27.0983 -9.9299 -9.9299 -9.5074 -9.5074 -9.2888 -9.2888 12.8940 12.8940 13.2969 13.2969 14.8623 14.8623 15.2172 15.2172 17.3452 17.3452 17.9430 17.9430 19.1274 19.1274 19.6105 19.6105 20.9942 20.9942 22.6387 22.6387 k = 0.4357 0.4357-0.0000 ( 1624 PWs) bands (ev): -73.7757 -73.7757 -40.6342 -40.6342 -30.8524 -30.8524 -27.1646 -27.1646 -27.0981 -27.0981 -9.9289 -9.9289 -9.5058 -9.5058 -9.2890 -9.2890 12.8995 12.8995 13.3170 13.3170 14.8769 14.8769 15.2345 15.2345 17.2391 17.2391 17.8389 17.8389 19.1886 19.1886 19.6545 19.6545 20.9665 20.9665 22.5925 22.5925 k = 0.4286 0.4286-0.0000 ( 1624 PWs) bands (ev): -73.7758 -73.7758 -40.6341 -40.6341 -30.8531 -30.8531 -27.1635 -27.1635 -27.0979 -27.0979 -9.9278 -9.9278 -9.5041 -9.5041 -9.2893 -9.2893 12.9048 12.9048 13.3396 13.3396 14.8929 14.8929 15.2539 15.2539 17.1317 17.1317 17.7312 17.7312 19.2429 19.2429 19.7008 19.7008 20.9364 20.9364 22.5397 22.5397 k = 0.4214 0.4214-0.0000 ( 1622 PWs) bands (ev): -73.7758 -73.7758 -40.6339 -40.6339 -30.8538 -30.8538 -27.1624 -27.1624 -27.0976 -27.0976 -9.9266 -9.9266 -9.5021 -9.5021 -9.2896 -9.2896 12.9100 12.9100 13.3645 13.3645 14.9103 14.9103 15.2751 15.2751 17.0235 17.0235 17.6209 17.6209 19.2896 19.2896 19.7490 19.7490 20.9040 20.9040 22.4814 22.4814 k = 0.4143 0.4143-0.0000 ( 1618 PWs) bands (ev): -73.7758 -73.7758 -40.6337 -40.6337 -30.8545 -30.8545 -27.1612 -27.1612 -27.0973 -27.0973 -9.9253 -9.9253 -9.5000 -9.5000 -9.2898 -9.2898 12.9142 12.9142 13.3916 13.3916 14.9289 14.9289 15.2981 15.2981 16.9151 16.9151 17.5089 17.5089 19.3291 19.3291 19.7989 19.7989 20.8701 20.8701 22.4183 22.4183 k = 0.4071 0.4071-0.0000 ( 1620 PWs) bands (ev): -73.7759 -73.7759 -40.6335 -40.6335 -30.8553 -30.8553 -27.1599 -27.1599 -27.0970 -27.0970 -9.9238 -9.9238 -9.4977 -9.4977 -9.2901 -9.2901 12.9175 12.9175 13.4208 13.4208 14.9484 14.9484 15.3225 15.3225 16.8069 16.8069 17.3958 17.3958 19.3616 19.3616 19.8495 19.8495 20.8346 20.8346 22.3512 22.3512 k = 0.4000 0.4000-0.0000 ( 1620 PWs) bands (ev): -73.7759 -73.7759 -40.6333 -40.6333 -30.8562 -30.8562 -27.1585 -27.1585 -27.0967 -27.0967 -9.9223 -9.9223 -9.4952 -9.4952 -9.2904 -9.2904 12.9195 12.9195 13.4519 13.4519 14.9690 14.9690 15.3481 15.3481 16.6995 16.6995 17.2824 17.2824 19.3880 19.3880 19.9002 19.9002 20.7981 20.7981 22.2806 22.2806 k = 0.3929 0.3929-0.0000 ( 1612 PWs) bands (ev): -73.7760 -73.7760 -40.6330 -40.6330 -30.8571 -30.8571 -27.1570 -27.1570 -27.0963 -27.0963 -9.9205 -9.9205 -9.4925 -9.4925 -9.2907 -9.2907 12.9202 12.9202 13.4848 13.4848 14.9907 14.9907 15.3749 15.3749 16.5936 16.5936 17.1696 17.1696 19.4090 19.4090 19.9499 19.9499 20.7610 20.7610 22.2071 22.2071 k = 0.3857 0.3857-0.0000 ( 1612 PWs) bands (ev): -73.7760 -73.7760 -40.6327 -40.6327 -30.8580 -30.8580 -27.1555 -27.1555 -27.0959 -27.0959 -9.9187 -9.9187 -9.4896 -9.4896 -9.2909 -9.2909 12.9191 12.9191 13.5192 13.5192 15.0131 15.0131 15.4014 15.4014 16.4898 16.4898 17.0578 17.0578 19.4256 19.4256 19.9978 19.9978 20.7237 20.7237 22.1311 22.1311 k = 0.3786 0.3786-0.0000 ( 1608 PWs) bands (ev): -73.7761 -73.7761 -40.6324 -40.6324 -30.8590 -30.8590 -27.1538 -27.1538 -27.0955 -27.0955 -9.9168 -9.9168 -9.4866 -9.4866 -9.2912 -9.2912 12.9161 12.9161 13.5548 13.5548 15.0364 15.0364 15.4273 15.4273 16.3894 16.3894 16.9479 16.9479 19.4387 19.4387 20.0430 20.0430 20.6866 20.6866 22.0533 22.0533 k = 0.3714 0.3714-0.0000 ( 1610 PWs) bands (ev): -73.7761 -73.7761 -40.6322 -40.6322 -30.8601 -30.8601 -27.1522 -27.1522 -27.0952 -27.0952 -9.9148 -9.9148 -9.4834 -9.4834 -9.2915 -9.2915 12.9105 12.9105 13.5912 13.5912 15.0603 15.0603 15.4509 15.4509 16.2936 16.2936 16.8405 16.8405 19.4490 19.4490 20.0848 20.0848 20.6503 20.6503 21.9740 21.9740 k = 0.3643 0.3643-0.0000 ( 1614 PWs) bands (ev): -73.7762 -73.7762 -40.6319 -40.6319 -30.8612 -30.8612 -27.1505 -27.1505 -27.0948 -27.0948 -9.9127 -9.9127 -9.4800 -9.4800 -9.2918 -9.2918 12.9026 12.9026 13.6281 13.6281 15.0849 15.0849 15.4700 15.4700 16.2047 16.2047 16.7362 16.7362 19.4573 19.4573 20.1227 20.1227 20.6154 20.6154 21.8936 21.8936 k = 0.3571 0.3571-0.0000 ( 1614 PWs) bands (ev): -73.7763 -73.7763 -40.6317 -40.6317 -30.8623 -30.8623 -27.1487 -27.1487 -27.0944 -27.0944 -9.9104 -9.9104 -9.4765 -9.4765 -9.2920 -9.2920 12.8918 12.8918 13.6652 13.6652 15.1101 15.1101 15.4818 15.4818 16.1259 16.1259 16.6359 16.6359 19.4643 19.4643 20.1560 20.1560 20.5826 20.5826 21.8129 21.8129 k = 0.3500 0.3500-0.0000 ( 1614 PWs) bands (ev): -73.7763 -73.7763 -40.6314 -40.6314 -30.8634 -30.8634 -27.1469 -27.1469 -27.0939 -27.0939 -9.9081 -9.9081 -9.4728 -9.4728 -9.2922 -9.2922 12.8778 12.8778 13.7020 13.7020 15.1358 15.1358 15.4820 15.4820 16.0610 16.0610 16.5406 16.5406 19.4705 19.4705 20.1838 20.1838 20.5528 20.5528 21.7321 21.7321 k = 0.3429 0.3429-0.0000 ( 1614 PWs) bands (ev): -73.7764 -73.7764 -40.6310 -40.6310 -30.8646 -30.8646 -27.1450 -27.1450 -27.0935 -27.0935 -9.9056 -9.9056 -9.4689 -9.4689 -9.2924 -9.2924 12.8602 12.8602 13.7380 13.7380 15.1620 15.1620 15.4665 15.4665 16.0138 16.0138 16.4514 16.4514 19.4767 19.4767 20.2055 20.2055 20.5271 20.5271 21.6517 21.6517 k = 0.3357 0.3357-0.0000 ( 1614 PWs) bands (ev): -73.7765 -73.7765 -40.6307 -40.6307 -30.8658 -30.8658 -27.1431 -27.1431 -27.0930 -27.0930 -9.9031 -9.9031 -9.4648 -9.4648 -9.2925 -9.2925 12.8389 12.8389 13.7726 13.7726 15.1881 15.1881 15.4334 15.4334 15.9852 15.9852 16.3701 16.3701 19.4834 19.4834 20.2200 20.2200 20.5067 20.5067 21.5722 21.5722 k = 0.3286 0.3286-0.0000 ( 1614 PWs) bands (ev): -73.7766 -73.7766 -40.6304 -40.6304 -30.8670 -30.8670 -27.1412 -27.1412 -27.0926 -27.0926 -9.9004 -9.9004 -9.4606 -9.4606 -9.2926 -9.2926 12.8134 12.8134 13.8054 13.8054 15.2133 15.2133 15.3855 15.3855 15.9711 15.9711 16.2998 16.2998 19.4910 19.4910 20.2266 20.2266 20.4925 20.4925 21.4941 21.4941 k = 0.3214 0.3214-0.0000 ( 1614 PWs) bands (ev): -73.7766 -73.7766 -40.6301 -40.6301 -30.8682 -30.8682 -27.1392 -27.1392 -27.0921 -27.0921 -9.8976 -9.8976 -9.4563 -9.4563 -9.2926 -9.2926 12.7835 12.7835 13.8357 13.8357 15.2327 15.2327 15.3321 15.3321 15.9626 15.9626 16.2452 16.2452 19.5001 19.5001 20.2256 20.2256 20.4847 20.4847 21.4177 21.4177 k = 0.3143 0.3143-0.0000 ( 1614 PWs) bands (ev): -73.7767 -73.7767 -40.6297 -40.6297 -30.8694 -30.8694 -27.1373 -27.1373 -27.0917 -27.0917 -9.8947 -9.8947 -9.4518 -9.4518 -9.2926 -9.2926 12.7491 12.7491 13.8630 13.8630 15.2188 15.2188 15.3053 15.3053 15.9492 15.9492 16.2130 16.2130 19.5112 19.5112 20.2179 20.2179 20.4826 20.4826 21.3436 21.3436 k = 0.3071 0.3071-0.0000 ( 1608 PWs) bands (ev): -73.7768 -73.7768 -40.6293 -40.6293 -30.8707 -30.8707 -27.1352 -27.1352 -27.0912 -27.0912 -9.8917 -9.8917 -9.4470 -9.4470 -9.2926 -9.2926 12.7099 12.7099 13.8867 13.8867 15.1590 15.1590 15.3212 15.3212 15.9246 15.9246 16.2063 16.2063 19.5248 19.5248 20.2054 20.2054 20.4848 20.4848 21.2723 21.2723 k = 0.3000 0.3000-0.0000 ( 1608 PWs) bands (ev): -73.7768 -73.7768 -40.6289 -40.6289 -30.8719 -30.8719 -27.1332 -27.1332 -27.0908 -27.0908 -9.8887 -9.8887 -9.4423 -9.4423 -9.2925 -9.2925 12.6658 12.6658 13.9064 13.9064 15.0869 15.0869 15.3482 15.3482 15.8911 15.8911 16.2204 16.2204 19.5412 19.5412 20.1899 20.1899 20.4895 20.4895 21.2041 21.2041 k = 0.2929 0.2929-0.0000 ( 1610 PWs) bands (ev): -73.7769 -73.7769 -40.6286 -40.6286 -30.8732 -30.8732 -27.1312 -27.1312 -27.0903 -27.0903 -9.8856 -9.8856 -9.4374 -9.4374 -9.2924 -9.2924 12.6168 12.6168 13.9217 13.9217 15.0123 15.0123 15.3782 15.3782 15.8551 15.8551 16.2477 16.2477 19.5608 19.5608 20.1731 20.1731 20.4957 20.4957 21.1394 21.1394 k = 0.2857 0.2857-0.0000 ( 1610 PWs) bands (ev): -73.7770 -73.7770 -40.6282 -40.6282 -30.8744 -30.8744 -27.1292 -27.1292 -27.0899 -27.0899 -9.8824 -9.8824 -9.4323 -9.4323 -9.2921 -9.2921 12.5630 12.5630 13.9322 13.9322 14.9374 14.9374 15.4097 15.4097 15.8213 15.8213 16.2825 16.2825 19.5840 19.5840 20.1560 20.1560 20.5023 20.5023 21.0789 21.0789 k = 0.2786 0.2786-0.0000 ( 1614 PWs) bands (ev): -73.7771 -73.7771 -40.6279 -40.6279 -30.8757 -30.8757 -27.1273 -27.1273 -27.0894 -27.0894 -9.8791 -9.8791 -9.4272 -9.4272 -9.2919 -9.2919 12.5046 12.5046 13.9379 13.9379 14.8629 14.8629 15.4422 15.4422 15.7922 15.7922 16.3213 16.3213 19.6112 19.6112 20.1395 20.1395 20.5089 20.5089 21.0229 21.0229 k = 0.2714 0.2714-0.0000 ( 1616 PWs) bands (ev): -73.7772 -73.7772 -40.6275 -40.6275 -30.8769 -30.8769 -27.1253 -27.1253 -27.0890 -27.0890 -9.8758 -9.8758 -9.4219 -9.4219 -9.2916 -9.2916 12.4417 12.4417 13.9387 13.9387 14.7890 14.7890 15.4758 15.4758 15.7690 15.7690 16.3621 16.3621 19.6425 19.6425 20.1241 20.1241 20.5153 20.5153 20.9720 20.9720 k = 0.2643 0.2643-0.0000 ( 1612 PWs) bands (ev): -73.7773 -73.7773 -40.6271 -40.6271 -30.8782 -30.8782 -27.1233 -27.1233 -27.0885 -27.0885 -9.8723 -9.8723 -9.4165 -9.4165 -9.2912 -9.2912 12.3748 12.3748 13.9349 13.9349 14.7163 14.7163 15.5102 15.5102 15.7522 15.7522 16.4035 16.4035 19.6782 19.6782 20.1104 20.1104 20.5212 20.5212 20.9268 20.9268 k = 0.2571 0.2571-0.0000 ( 1608 PWs) bands (ev): -73.7773 -73.7773 -40.6267 -40.6267 -30.8794 -30.8794 -27.1213 -27.1213 -27.0881 -27.0881 -9.8688 -9.8688 -9.4110 -9.4110 -9.2907 -9.2907 12.3041 12.3041 13.9269 13.9269 14.6445 14.6445 15.5454 15.5454 15.7415 15.7415 16.4447 16.4447 19.7184 19.7184 20.0985 20.0985 20.5268 20.5268 20.8873 20.8873 k = 0.2500 0.2500-0.0000 ( 1608 PWs) bands (ev): -73.7774 -73.7774 -40.6263 -40.6263 -30.8806 -30.8806 -27.1194 -27.1194 -27.0877 -27.0877 -9.8653 -9.8653 -9.4055 -9.4055 -9.2902 -9.2902 12.2301 12.2301 13.9148 13.9148 14.5737 14.5737 15.5811 15.5811 15.7367 15.7367 16.4848 16.4848 19.7632 19.7632 20.0887 20.0887 20.5317 20.5317 20.8542 20.8542 k = 0.2429 0.2429-0.0000 ( 1608 PWs) bands (ev): -73.7775 -73.7775 -40.6259 -40.6259 -30.8818 -30.8818 -27.1175 -27.1175 -27.0873 -27.0873 -9.8618 -9.8618 -9.3999 -9.3999 -9.2896 -9.2896 12.1532 12.1532 13.8993 13.8993 14.5040 14.5040 15.6173 15.6173 15.7371 15.7371 16.5233 16.5233 19.8126 19.8126 20.0812 20.0812 20.5363 20.5363 20.8278 20.8278 k = 0.2357 0.2357-0.0000 ( 1614 PWs) bands (ev): -73.7776 -73.7776 -40.6256 -40.6256 -30.8830 -30.8830 -27.1156 -27.1156 -27.0869 -27.0869 -9.8582 -9.8582 -9.3943 -9.3943 -9.2890 -9.2890 12.0739 12.0739 13.8806 13.8806 14.4351 14.4351 15.6536 15.6536 15.7421 15.7421 16.5596 16.5596 19.8662 19.8662 20.0762 20.0762 20.5404 20.5404 20.8084 20.8084 k = 0.2286 0.2286-0.0000 ( 1610 PWs) bands (ev): -73.7777 -73.7777 -40.6252 -40.6252 -30.8841 -30.8841 -27.1137 -27.1137 -27.0865 -27.0865 -9.8546 -9.8546 -9.3885 -9.3885 -9.2883 -9.2883 11.9928 11.9928 13.8595 13.8595 14.3676 14.3676 15.6899 15.6899 15.7513 15.7513 16.5936 16.5936 19.9238 19.9238 20.0745 20.0745 20.5446 20.5446 20.7966 20.7966 k = 0.2214 0.2214-0.0000 ( 1610 PWs) bands (ev): -73.7778 -73.7778 -40.6248 -40.6248 -30.8853 -30.8853 -27.1119 -27.1119 -27.0862 -27.0862 -9.8510 -9.8510 -9.3828 -9.3828 -9.2876 -9.2876 11.9102 11.9102 13.8361 13.8361 14.3012 14.3012 15.7250 15.7250 15.7646 15.7646 16.6247 16.6247 19.9832 19.9832 20.0775 20.0775 20.5488 20.5488 20.7924 20.7924 k = 0.2143 0.2143-0.0000 ( 1616 PWs) bands (ev): -73.7779 -73.7779 -40.6245 -40.6245 -30.8864 -30.8864 -27.1101 -27.1101 -27.0858 -27.0858 -9.8474 -9.8474 -9.3771 -9.3771 -9.2868 -9.2868 11.8266 11.8266 13.8109 13.8109 14.2359 14.2359 15.7568 15.7568 15.7833 15.7833 16.6529 16.6529 20.0353 20.0353 20.0938 20.0938 20.5534 20.5534 20.7961 20.7961 k = 0.2071 0.2071-0.0000 ( 1616 PWs) bands (ev): -73.7780 -73.7780 -40.6241 -40.6241 -30.8874 -30.8874 -27.1084 -27.1084 -27.0855 -27.0855 -9.8438 -9.8438 -9.3713 -9.3713 -9.2859 -9.2859 11.7426 11.7426 13.7843 13.7843 14.1721 14.1721 15.7818 15.7818 15.8104 15.8104 16.6779 16.6779 20.0604 20.0604 20.1434 20.1434 20.5590 20.5590 20.8078 20.8078 k = 0.2000 0.2000-0.0000 ( 1624 PWs) bands (ev): -73.7781 -73.7781 -40.6238 -40.6238 -30.8885 -30.8885 -27.1067 -27.1067 -27.0852 -27.0852 -9.8403 -9.8403 -9.3656 -9.3656 -9.2851 -9.2851 11.6584 11.6584 13.7566 13.7566 14.1097 14.1097 15.8023 15.8023 15.8426 15.8426 16.6997 16.6997 20.0717 20.0717 20.2112 20.2112 20.5659 20.5659 20.8274 20.8274 k = 0.1929 0.1929-0.0000 ( 1620 PWs) bands (ev): -73.7781 -73.7781 -40.6234 -40.6234 -30.8895 -30.8895 -27.1051 -27.1051 -27.0849 -27.0849 -9.8366 -9.8366 -9.3598 -9.3598 -9.2841 -9.2841 11.5746 11.5746 13.7280 13.7280 14.0489 14.0489 15.8221 15.8221 15.8757 15.8757 16.7185 16.7185 20.0819 20.0819 20.2833 20.2833 20.5764 20.5764 20.8555 20.8555 k = 0.1857 0.1857-0.0000 ( 1620 PWs) bands (ev): -73.7782 -73.7782 -40.6230 -40.6230 -30.8905 -30.8905 -27.1034 -27.1034 -27.0846 -27.0846 -9.8331 -9.8331 -9.3540 -9.3540 -9.2831 -9.2831 11.4914 11.4914 13.6987 13.6987 13.9897 13.9897 15.8419 15.8419 15.9082 15.9082 16.7341 16.7341 20.0934 20.0934 20.3537 20.3537 20.5932 20.5932 20.8916 20.8916 k = 0.1786 0.1786-0.0000 ( 1614 PWs) bands (ev): -73.7783 -73.7783 -40.6226 -40.6226 -30.8915 -30.8915 -27.1019 -27.1019 -27.0843 -27.0843 -9.8296 -9.8296 -9.3483 -9.3483 -9.2820 -9.2820 11.4092 11.4092 13.6690 13.6690 13.9322 13.9322 15.8621 15.8621 15.9397 15.9397 16.7468 16.7468 20.1069 20.1069 20.4154 20.4154 20.6221 20.6221 20.9357 20.9357 k = 0.1714 0.1714-0.0000 ( 1614 PWs) bands (ev): -73.7784 -73.7784 -40.6222 -40.6222 -30.8924 -30.8924 -27.1003 -27.1003 -27.0840 -27.0840 -9.8261 -9.8261 -9.3427 -9.3427 -9.2809 -9.2809 11.3283 11.3283 13.6391 13.6391 13.8764 13.8764 15.8822 15.8822 15.9694 15.9694 16.7569 16.7569 20.1217 20.1217 20.4608 20.4608 20.6705 20.6705 20.9876 20.9876 k = 0.1643 0.1643-0.0000 ( 1614 PWs) bands (ev): -73.7784 -73.7784 -40.6219 -40.6219 -30.8933 -30.8933 -27.0989 -27.0989 -27.0838 -27.0838 -9.8227 -9.8227 -9.3371 -9.3371 -9.2798 -9.2798 11.2490 11.2490 13.6092 13.6092 13.8225 13.8225 15.9022 15.9022 15.9974 15.9974 16.7645 16.7645 20.1384 20.1384 20.4886 20.4886 20.7390 20.7390 21.0471 21.0471 k = 0.1571 0.1571-0.0000 ( 1626 PWs) bands (ev): -73.7785 -73.7785 -40.6217 -40.6217 -30.8941 -30.8941 -27.0975 -27.0975 -27.0836 -27.0836 -9.8195 -9.8195 -9.3317 -9.3317 -9.2788 -9.2788 11.1715 11.1715 13.5793 13.5793 13.7701 13.7701 15.9218 15.9218 16.0232 16.0232 16.7699 16.7699 20.1566 20.1566 20.5047 20.5047 20.8211 20.8211 21.1136 21.1136 k = 0.1500 0.1500-0.0000 ( 1622 PWs) bands (ev): -73.7786 -73.7786 -40.6213 -40.6213 -30.8950 -30.8950 -27.0962 -27.0962 -27.0834 -27.0834 -9.8163 -9.8163 -9.3263 -9.3263 -9.2776 -9.2776 11.0962 11.0962 13.5497 13.5497 13.7200 13.7200 15.9413 15.9413 16.0471 16.0471 16.7738 16.7738 20.1764 20.1764 20.5148 20.5148 20.9112 20.9112 21.1870 21.1870 k = 0.1429 0.1429-0.0000 ( 1623 PWs) bands (ev): -73.7787 -73.7787 -40.6210 -40.6210 -30.8957 -30.8957 -27.0949 -27.0949 -27.0832 -27.0832 -9.8131 -9.8131 -9.3210 -9.3210 -9.2765 -9.2765 11.0231 11.0231 13.5206 13.5206 13.6720 13.6720 15.9602 15.9602 16.0686 16.0686 16.7761 16.7761 20.1975 20.1975 20.5215 20.5215 21.0057 21.0057 21.2666 21.2666 k = 0.1357 0.1357-0.0000 ( 1623 PWs) bands (ev): -73.7787 -73.7787 -40.6207 -40.6207 -30.8965 -30.8965 -27.0936 -27.0936 -27.0831 -27.0831 -9.8101 -9.8101 -9.3159 -9.3159 -9.2754 -9.2754 10.9525 10.9525 13.4921 13.4921 13.6260 13.6260 15.9785 15.9785 16.0879 16.0879 16.7774 16.7774 20.2198 20.2198 20.5264 20.5264 21.1031 21.1031 21.3515 21.3515 k = 0.1286 0.1286-0.0000 ( 1623 PWs) bands (ev): -73.7788 -73.7788 -40.6204 -40.6204 -30.8972 -30.8972 -27.0924 -27.0924 -27.0829 -27.0829 -9.8071 -9.8071 -9.3109 -9.3109 -9.2742 -9.2742 10.8846 10.8846 13.4642 13.4642 13.5822 13.5822 15.9962 15.9962 16.1048 16.1048 16.7779 16.7779 20.2430 20.2430 20.5301 20.5301 21.2023 21.2023 21.4409 21.4409 k = 0.1214 0.1214-0.0000 ( 1623 PWs) bands (ev): -73.7789 -73.7789 -40.6201 -40.6201 -30.8979 -30.8979 -27.0913 -27.0913 -27.0828 -27.0828 -9.8043 -9.8043 -9.3061 -9.3061 -9.2731 -9.2731 10.8195 10.8195 13.4372 13.4372 13.5405 13.5405 16.0132 16.0132 16.1193 16.1193 16.7779 16.7779 20.2669 20.2669 20.5332 20.5332 21.3027 21.3027 21.5338 21.5338 k = 0.1143 0.1143-0.0000 ( 1631 PWs) bands (ev): -73.7789 -73.7789 -40.6199 -40.6199 -30.8985 -30.8985 -27.0903 -27.0903 -27.0827 -27.0827 -9.8017 -9.8017 -9.3015 -9.3015 -9.2721 -9.2721 10.7575 10.7575 13.4110 13.4110 13.5007 13.5007 16.0292 16.0292 16.1314 16.1314 16.7775 16.7775 20.2912 20.2912 20.5356 20.5356 21.4039 21.4039 21.6291 21.6291 k = 0.1071 0.1071-0.0000 ( 1631 PWs) bands (ev): -73.7790 -73.7790 -40.6196 -40.6196 -30.8991 -30.8991 -27.0893 -27.0893 -27.0826 -27.0826 -9.7991 -9.7991 -9.2971 -9.2971 -9.2710 -9.2710 10.6985 10.6985 13.3859 13.3859 13.4635 13.4635 16.0445 16.0445 16.1414 16.1414 16.7773 16.7773 20.3159 20.3159 20.5379 20.5379 21.5056 21.5056 21.7258 21.7258 k = 0.1000 0.1000-0.0000 ( 1627 PWs) bands (ev): -73.7790 -73.7790 -40.6194 -40.6194 -30.8997 -30.8997 -27.0883 -27.0883 -27.0825 -27.0825 -9.7966 -9.7966 -9.2928 -9.2928 -9.2699 -9.2699 10.6429 10.6429 13.3620 13.3620 13.4285 13.4285 16.0590 16.0590 16.1494 16.1494 16.7771 16.7771 20.3407 20.3407 20.5400 20.5400 21.6074 21.6074 21.8228 21.8228 k = 0.0929 0.0929-0.0000 ( 1629 PWs) bands (ev): -73.7791 -73.7791 -40.6192 -40.6192 -30.9002 -30.9002 -27.0875 -27.0875 -27.0824 -27.0824 -9.7943 -9.7943 -9.2888 -9.2888 -9.2689 -9.2689 10.5906 10.5906 13.3393 13.3393 13.3958 13.3958 16.0724 16.0724 16.1554 16.1554 16.7772 16.7772 20.3651 20.3651 20.5418 20.5418 21.7088 21.7088 21.9188 21.9188 k = 0.0857 0.0857-0.0000 ( 1623 PWs) bands (ev): -73.7791 -73.7791 -40.6189 -40.6189 -30.9006 -30.9006 -27.0866 -27.0866 -27.0823 -27.0823 -9.7922 -9.7922 -9.2849 -9.2849 -9.2679 -9.2679 10.5418 10.5418 13.3180 13.3180 13.3654 13.3654 16.0850 16.0850 16.1597 16.1597 16.7777 16.7777 20.3891 20.3891 20.5436 20.5436 21.8093 21.8093 22.0129 22.0129 k = 0.0786 0.0786-0.0000 ( 1627 PWs) bands (ev): -73.7792 -73.7792 -40.6187 -40.6187 -30.9011 -30.9011 -27.0859 -27.0859 -27.0822 -27.0822 -9.7902 -9.7902 -9.2814 -9.2814 -9.2671 -9.2671 10.4965 10.4965 13.2980 13.2980 13.3374 13.3374 16.0964 16.0964 16.1624 16.1624 16.7783 16.7783 20.4122 20.4122 20.5449 20.5449 21.9081 21.9081 22.1040 22.1040 k = 0.0714 0.0714-0.0000 ( 1623 PWs) bands (ev): -73.7792 -73.7792 -40.6185 -40.6185 -30.9015 -30.9015 -27.0852 -27.0852 -27.0821 -27.0821 -9.7883 -9.7883 -9.2781 -9.2781 -9.2662 -9.2662 10.4550 10.4550 13.2796 13.2796 13.3117 13.3117 16.1070 16.1070 16.1640 16.1640 16.7793 16.7793 20.4342 20.4342 20.5462 20.5462 22.0046 22.0046 22.1908 22.1908 k = 0.0643 0.0643-0.0000 ( 1619 PWs) bands (ev): -73.7792 -73.7792 -40.6183 -40.6183 -30.9018 -30.9018 -27.0846 -27.0846 -27.0821 -27.0821 -9.7866 -9.7866 -9.2751 -9.2751 -9.2654 -9.2654 10.4172 10.4172 13.2627 13.2627 13.2884 13.2884 16.1165 16.1165 16.1646 16.1646 16.7805 16.7805 20.4551 20.4551 20.5477 20.5477 22.0978 22.0978 22.2722 22.2722 k = 0.0571 0.0571-0.0000 ( 1611 PWs) bands (ev): -73.7792 -73.7792 -40.6181 -40.6181 -30.9022 -30.9022 -27.0840 -27.0840 -27.0820 -27.0820 -9.7850 -9.7850 -9.2723 -9.2723 -9.2646 -9.2646 10.3831 10.3831 13.2474 13.2474 13.2675 13.2675 16.1251 16.1251 16.1644 16.1644 16.7819 16.7819 20.4745 20.4745 20.5491 20.5491 22.1866 22.1866 22.3468 22.3468 k = 0.0500 0.0500-0.0000 ( 1609 PWs) bands (ev): -73.7792 -73.7792 -40.6179 -40.6179 -30.9024 -30.9024 -27.0835 -27.0835 -27.0820 -27.0820 -9.7837 -9.7837 -9.2698 -9.2698 -9.2640 -9.2640 10.3530 10.3530 13.2338 13.2338 13.2491 13.2491 16.1327 16.1327 16.1637 16.1637 16.7834 16.7834 20.4921 20.4921 20.5500 20.5500 22.2698 22.2698 22.4129 22.4129 k = 0.0429 0.0429-0.0000 ( 1611 PWs) bands (ev): -73.7793 -73.7793 -40.6178 -40.6178 -30.9027 -30.9027 -27.0831 -27.0831 -27.0819 -27.0819 -9.7825 -9.7825 -9.2677 -9.2677 -9.2634 -9.2634 10.3267 10.3267 13.2219 13.2219 13.2331 13.2331 16.1391 16.1391 16.1624 16.1624 16.7847 16.7847 20.5077 20.5077 20.5508 20.5508 22.3461 22.3461 22.4688 22.4688 k = 0.0357 0.0357-0.0000 ( 1611 PWs) bands (ev): -73.7793 -73.7793 -40.6177 -40.6177 -30.9029 -30.9029 -27.0827 -27.0827 -27.0819 -27.0819 -9.7815 -9.7815 -9.2659 -9.2659 -9.2629 -9.2629 10.3044 10.3044 13.2118 13.2118 13.2195 13.2195 16.1446 16.1446 16.1611 16.1611 16.7860 16.7860 20.5212 20.5212 20.5515 20.5515 22.4140 22.4140 22.5126 22.5126 k = 0.0286 0.0286-0.0000 ( 1611 PWs) bands (ev): -73.7793 -73.7793 -40.6176 -40.6176 -30.9031 -30.9031 -27.0824 -27.0824 -27.0819 -27.0819 -9.7807 -9.7807 -9.2644 -9.2644 -9.2625 -9.2625 10.2862 10.2862 13.2034 13.2034 13.2084 13.2084 16.1491 16.1491 16.1598 16.1598 16.7872 16.7872 20.5325 20.5325 20.5521 20.5521 22.4722 22.4722 22.5436 22.5436 k = 0.0214 0.0214-0.0000 ( 1611 PWs) bands (ev): -73.7793 -73.7793 -40.6176 -40.6176 -30.9032 -30.9032 -27.0822 -27.0822 -27.0819 -27.0819 -9.7801 -9.7801 -9.2633 -9.2633 -9.2622 -9.2622 10.2719 10.2719 13.1969 13.1969 13.1997 13.1997 16.1525 16.1525 16.1587 16.1587 16.7882 16.7882 20.5415 20.5415 20.5526 20.5526 22.5192 22.5192 22.5632 22.5632 k = 0.0143 0.0143-0.0000 ( 1611 PWs) bands (ev): -73.7793 -73.7793 -40.6175 -40.6175 -30.9033 -30.9033 -27.0820 -27.0820 -27.0819 -27.0819 -9.7796 -9.7796 -9.2624 -9.2624 -9.2620 -9.2620 10.2617 10.2617 13.1923 13.1923 13.1935 13.1935 16.1550 16.1550 16.1578 16.1578 16.7889 16.7889 20.5479 20.5479 20.5529 20.5529 22.5538 22.5538 22.5745 22.5745 k = 0.0071 0.0071-0.0000 ( 1603 PWs) bands (ev): -73.7793 -73.7793 -40.6174 -40.6174 -30.9034 -30.9034 -27.0819 -27.0819 -27.0818 -27.0818 -9.7793 -9.7793 -9.2619 -9.2619 -9.2617 -9.2617 10.2556 10.2556 13.1898 13.1898 13.1899 13.1899 16.1565 16.1565 16.1572 16.1572 16.7894 16.7894 20.5519 20.5519 20.5531 20.5531 22.5750 22.5750 22.5804 22.5804 k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): -73.7792 -73.7792 -40.6171 -40.6171 -30.9034 -30.9034 -27.0817 -27.0817 -27.0817 -27.0817 -9.7790 -9.7790 -9.2615 -9.2615 -9.2615 -9.2615 10.2536 10.2536 13.1895 13.1895 13.1895 13.1895 16.1570 16.1570 16.1570 16.1570 16.7895 16.7895 20.5533 20.5533 20.5533 20.5533 22.5825 22.5825 22.5825 22.5825 k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): -73.7792 -73.7792 -40.6171 -40.6171 -30.9034 -30.9034 -27.0817 -27.0817 -27.0817 -27.0817 -9.7790 -9.7790 -9.2615 -9.2615 -9.2615 -9.2615 10.2536 10.2536 13.1895 13.1895 13.1895 13.1895 16.1570 16.1570 16.1570 16.1570 16.7895 16.7895 20.5533 20.5533 20.5533 20.5533 22.5825 22.5825 22.5825 22.5825 k = 0.0059 0.0059 0.0059 ( 1599 PWs) bands (ev): -73.7793 -73.7793 -40.6174 -40.6174 -30.9034 -30.9034 -27.0819 -27.0819 -27.0818 -27.0818 -9.7793 -9.7793 -9.2619 -9.2619 -9.2617 -9.2617 10.2556 10.2556 13.1898 13.1898 13.1899 13.1899 16.1565 16.1565 16.1572 16.1572 16.7894 16.7894 20.5524 20.5524 20.5526 20.5526 22.5748 22.5748 22.5807 22.5807 k = 0.0118 0.0118 0.0118 ( 1605 PWs) bands (ev): -73.7793 -73.7793 -40.6175 -40.6175 -30.9033 -30.9033 -27.0819 -27.0819 -27.0819 -27.0819 -9.7796 -9.7796 -9.2623 -9.2623 -9.2620 -9.2620 10.2619 10.2619 13.1931 13.1931 13.1931 13.1931 16.1549 16.1549 16.1578 16.1578 16.7889 16.7889 20.5499 20.5499 20.5508 20.5508 22.5521 22.5521 22.5758 22.5758 k = 0.0176 0.0176 0.0176 ( 1605 PWs) bands (ev): -73.7793 -73.7793 -40.6175 -40.6175 -30.9032 -30.9032 -27.0821 -27.0821 -27.0819 -27.0819 -9.7801 -9.7801 -9.2630 -9.2630 -9.2625 -9.2625 10.2722 10.2722 13.1986 13.1986 13.1986 13.1986 16.1524 16.1524 16.1587 16.1587 16.7882 16.7882 20.5460 20.5460 20.5479 20.5479 22.5137 22.5137 22.5679 22.5679 k = 0.0235 0.0235 0.0235 ( 1611 PWs) bands (ev): -73.7793 -73.7793 -40.6176 -40.6176 -30.9031 -30.9031 -27.0823 -27.0823 -27.0820 -27.0820 -9.7807 -9.7807 -9.2639 -9.2639 -9.2631 -9.2631 10.2867 10.2867 13.2061 13.2061 13.2063 13.2063 16.1488 16.1488 16.1599 16.1599 16.7872 16.7872 20.5405 20.5405 20.5439 20.5439 22.4597 22.4597 22.5569 22.5569 k = 0.0294 0.0294 0.0294 ( 1611 PWs) bands (ev): -73.7793 -73.7793 -40.6177 -40.6177 -30.9029 -30.9029 -27.0825 -27.0825 -27.0821 -27.0821 -9.7816 -9.7816 -9.2651 -9.2651 -9.2638 -9.2638 10.3053 10.3053 13.2160 13.2160 13.2163 13.2163 16.1442 16.1442 16.1611 16.1611 16.7860 16.7860 20.5336 20.5336 20.5389 20.5389 22.3909 22.3909 22.5429 22.5429 k = 0.0353 0.0353 0.0353 ( 1611 PWs) bands (ev): -73.7793 -73.7793 -40.6178 -40.6178 -30.9027 -30.9027 -27.0828 -27.0828 -27.0822 -27.0822 -9.7826 -9.7826 -9.2666 -9.2666 -9.2647 -9.2647 10.3280 10.3280 13.2280 13.2280 13.2284 13.2284 16.1385 16.1385 16.1623 16.1623 16.7847 16.7847 20.5253 20.5253 20.5330 20.5330 22.3092 22.3092 22.5260 22.5260 k = 0.0412 0.0412 0.0412 ( 1611 PWs) bands (ev): -73.7793 -73.7793 -40.6179 -40.6179 -30.9024 -30.9024 -27.0832 -27.0832 -27.0823 -27.0823 -9.7838 -9.7838 -9.2682 -9.2682 -9.2658 -9.2658 10.3547 10.3547 13.2421 13.2421 13.2427 13.2427 16.1318 16.1318 16.1631 16.1631 16.7833 16.7833 20.5159 20.5159 20.5263 20.5263 22.2163 22.2163 22.5063 22.5063 k = 0.0471 0.0471 0.0471 ( 1617 PWs) bands (ev): -73.7792 -73.7792 -40.6181 -40.6181 -30.9021 -30.9021 -27.0836 -27.0836 -27.0825 -27.0825 -9.7851 -9.7851 -9.2702 -9.2702 -9.2670 -9.2670 10.3854 10.3854 13.2583 13.2583 13.2591 13.2591 16.1240 16.1240 16.1631 16.1631 16.7817 16.7817 20.5053 20.5053 20.5187 20.5187 22.1142 22.1142 22.4840 22.4840 k = 0.0529 0.0529 0.0529 ( 1617 PWs) bands (ev): -73.7792 -73.7792 -40.6183 -40.6183 -30.9018 -30.9018 -27.0840 -27.0840 -27.0827 -27.0827 -9.7867 -9.7867 -9.2724 -9.2724 -9.2684 -9.2684 10.4200 10.4200 13.2766 13.2766 13.2777 13.2777 16.1153 16.1153 16.1627 16.1627 16.7804 16.7804 20.4937 20.4937 20.5106 20.5106 22.0051 22.0051 22.4591 22.4591 k = 0.0588 0.0588 0.0588 ( 1617 PWs) bands (ev): -73.7792 -73.7792 -40.6185 -40.6185 -30.9014 -30.9014 -27.0845 -27.0845 -27.0829 -27.0829 -9.7883 -9.7883 -9.2748 -9.2748 -9.2700 -9.2700 10.4585 10.4585 13.2970 13.2970 13.2983 13.2983 16.1054 16.1054 16.1611 16.1611 16.7791 16.7791 20.4815 20.4815 20.5021 20.5021 21.8908 21.8908 22.4318 22.4318 k = 0.0647 0.0647 0.0647 ( 1617 PWs) bands (ev): -73.7791 -73.7791 -40.6186 -40.6186 -30.9010 -30.9010 -27.0850 -27.0850 -27.0831 -27.0831 -9.7902 -9.7902 -9.2773 -9.2773 -9.2716 -9.2716 10.5008 10.5008 13.3193 13.3193 13.3210 13.3210 16.0944 16.0944 16.1581 16.1581 16.7778 16.7778 20.4687 20.4687 20.4934 20.4934 21.7729 21.7729 22.4023 22.4023 k = 0.0706 0.0706 0.0706 ( 1626 PWs) bands (ev): -73.7791 -73.7791 -40.6189 -40.6189 -30.9005 -30.9005 -27.0857 -27.0857 -27.0835 -27.0835 -9.7922 -9.7922 -9.2802 -9.2802 -9.2735 -9.2735 10.5469 10.5469 13.3435 13.3435 13.3456 13.3456 16.0821 16.0821 16.1534 16.1534 16.7764 16.7764 20.4552 20.4552 20.4842 20.4842 21.6529 21.6529 22.3707 22.3707 k = 0.0765 0.0765 0.0765 ( 1626 PWs) bands (ev): -73.7791 -73.7791 -40.6192 -40.6192 -30.9000 -30.9000 -27.0863 -27.0863 -27.0838 -27.0838 -9.7943 -9.7943 -9.2831 -9.2831 -9.2755 -9.2755 10.5966 10.5966 13.3697 13.3697 13.3723 13.3723 16.0690 16.0690 16.1469 16.1469 16.7749 16.7749 20.4417 20.4417 20.4753 20.4753 21.5324 21.5324 22.3372 22.3372 k = 0.0824 0.0824 0.0824 ( 1626 PWs) bands (ev): -73.7790 -73.7790 -40.6194 -40.6194 -30.8995 -30.8995 -27.0870 -27.0870 -27.0841 -27.0841 -9.7966 -9.7966 -9.2862 -9.2862 -9.2777 -9.2777 10.6500 10.6500 13.3977 13.3977 13.4008 13.4008 16.0547 16.0547 16.1382 16.1382 16.7731 16.7731 20.4282 20.4282 20.4665 20.4665 21.4128 21.4128 22.3019 22.3019 k = 0.0882 0.0882 0.0882 ( 1623 PWs) bands (ev): -73.7790 -73.7790 -40.6196 -40.6196 -30.8989 -30.8989 -27.0877 -27.0877 -27.0845 -27.0845 -9.7989 -9.7989 -9.2895 -9.2895 -9.2799 -9.2799 10.7068 10.7068 13.4275 13.4275 13.4313 13.4313 16.0394 16.0394 16.1273 16.1273 16.7707 16.7707 20.4149 20.4149 20.4580 20.4580 21.2956 21.2956 22.2651 22.2651 k = 0.0941 0.0941 0.0941 ( 1635 PWs) bands (ev): -73.7789 -73.7789 -40.6200 -40.6200 -30.8983 -30.8983 -27.0885 -27.0885 -27.0849 -27.0849 -9.8015 -9.8015 -9.2929 -9.2929 -9.2825 -9.2825 10.7671 10.7671 13.4590 13.4590 13.4636 13.4636 16.0228 16.0228 16.1138 16.1138 16.7672 16.7672 20.4015 20.4015 20.4496 20.4496 21.1817 21.1817 22.2151 22.2151 k = 0.1000 0.1000 0.1000 ( 1635 PWs) bands (ev): -73.7789 -73.7789 -40.6203 -40.6203 -30.8976 -30.8976 -27.0894 -27.0894 -27.0854 -27.0854 -9.8041 -9.8041 -9.2965 -9.2965 -9.2850 -9.2850 10.8308 10.8308 13.4922 13.4922 13.4976 13.4976 16.0054 16.0054 16.0981 16.0981 16.7624 16.7624 20.3890 20.3890 20.4421 20.4421 21.0726 21.0726 22.1629 22.1629 k = 0.1059 0.1059 0.1059 ( 1635 PWs) bands (ev): -73.7788 -73.7788 -40.6206 -40.6206 -30.8969 -30.8969 -27.0902 -27.0902 -27.0859 -27.0859 -9.8069 -9.8069 -9.3001 -9.3001 -9.2877 -9.2877 10.8976 10.8976 13.5269 13.5269 13.5333 13.5333 15.9870 15.9870 16.0798 16.0798 16.7556 16.7556 20.3772 20.3772 20.4352 20.4352 20.9695 20.9695 22.1099 22.1099 k = 0.1118 0.1118 0.1118 ( 1629 PWs) bands (ev): -73.7787 -73.7787 -40.6208 -40.6208 -30.8961 -30.8961 -27.0911 -27.0911 -27.0864 -27.0864 -9.8096 -9.8096 -9.3038 -9.3038 -9.2905 -9.2905 10.9677 10.9677 13.5633 13.5633 13.5708 13.5708 15.9677 15.9677 16.0591 16.0591 16.7462 16.7462 20.3662 20.3662 20.4290 20.4290 20.8736 20.8736 22.0564 22.0564 k = 0.1176 0.1176 0.1176 ( 1629 PWs) bands (ev): -73.7787 -73.7787 -40.6212 -40.6212 -30.8953 -30.8953 -27.0920 -27.0920 -27.0871 -27.0871 -9.8125 -9.8125 -9.3077 -9.3077 -9.2934 -9.2934 11.0408 11.0408 13.6010 13.6010 13.6097 13.6097 15.9474 15.9474 16.0359 16.0359 16.7338 16.7338 20.3562 20.3562 20.4236 20.4236 20.7858 20.7858 22.0023 22.0023 k = 0.1235 0.1235 0.1235 ( 1623 PWs) bands (ev): -73.7786 -73.7786 -40.6214 -40.6214 -30.8944 -30.8944 -27.0930 -27.0930 -27.0877 -27.0877 -9.8155 -9.8155 -9.3115 -9.3115 -9.2965 -9.2965 11.1168 11.1168 13.6399 13.6399 13.6501 13.6501 15.9262 15.9262 16.0105 16.0105 16.7179 16.7179 20.3474 20.3474 20.4190 20.4190 20.7076 20.7076 21.9480 21.9480 k = 0.1294 0.1294 0.1294 ( 1629 PWs) bands (ev): -73.7785 -73.7785 -40.6219 -40.6219 -30.8935 -30.8935 -27.0940 -27.0940 -27.0884 -27.0884 -9.8186 -9.8186 -9.3156 -9.3156 -9.2997 -9.2997 11.1956 11.1956 13.6801 13.6801 13.6919 13.6919 15.9042 15.9042 15.9826 15.9826 16.6974 16.6974 20.3397 20.3397 20.4153 20.4153 20.6390 20.6390 21.8937 21.8937 k = 0.1353 0.1353 0.1353 ( 1629 PWs) bands (ev): -73.7784 -73.7784 -40.6222 -40.6222 -30.8925 -30.8925 -27.0951 -27.0951 -27.0892 -27.0892 -9.8217 -9.8217 -9.3196 -9.3196 -9.3029 -9.3029 11.2772 11.2772 13.7215 13.7215 13.7350 13.7350 15.8814 15.8814 15.9527 15.9527 16.6723 16.6723 20.3335 20.3335 20.4124 20.4124 20.5816 20.5816 21.8396 21.8396 k = 0.1412 0.1412 0.1412 ( 1629 PWs) bands (ev): -73.7784 -73.7784 -40.6226 -40.6226 -30.8915 -30.8915 -27.0962 -27.0962 -27.0900 -27.0900 -9.8249 -9.8249 -9.3236 -9.3236 -9.3064 -9.3064 11.3614 11.3614 13.7641 13.7641 13.7797 13.7797 15.8580 15.8580 15.9207 15.9207 16.6422 16.6422 20.3285 20.3285 20.4104 20.4104 20.5357 20.5357 21.7859 21.7859 k = 0.1471 0.1471 0.1471 ( 1626 PWs) bands (ev): -73.7783 -73.7783 -40.6229 -40.6229 -30.8905 -30.8905 -27.0973 -27.0973 -27.0909 -27.0909 -9.8282 -9.8282 -9.3277 -9.3277 -9.3099 -9.3099 11.4481 11.4481 13.8073 13.8073 13.8252 13.8252 15.8341 15.8341 15.8869 15.8869 16.6070 16.6070 20.3252 20.3252 20.4095 20.4095 20.5018 20.5018 21.7328 21.7328 k = 0.1529 0.1529 0.1529 ( 1626 PWs) bands (ev): -73.7782 -73.7782 -40.6233 -40.6233 -30.8894 -30.8894 -27.0984 -27.0984 -27.0919 -27.0919 -9.8315 -9.8315 -9.3318 -9.3318 -9.3135 -9.3135 11.5372 11.5372 13.8514 13.8514 13.8717 13.8717 15.8097 15.8097 15.8513 15.8513 16.5665 16.5665 20.3234 20.3234 20.4097 20.4097 20.4796 20.4796 21.6806 21.6806 k = 0.1588 0.1588 0.1588 ( 1629 PWs) bands (ev): -73.7781 -73.7781 -40.6238 -40.6238 -30.8883 -30.8883 -27.0996 -27.0996 -27.0929 -27.0929 -9.8349 -9.8349 -9.3360 -9.3360 -9.3171 -9.3171 11.6285 11.6285 13.8960 13.8960 13.9192 13.9192 15.7850 15.7850 15.8140 15.8140 16.5208 16.5208 20.3231 20.3231 20.4112 20.4112 20.4690 20.4690 21.6295 21.6295 k = 0.1647 0.1647 0.1647 ( 1629 PWs) bands (ev): -73.7780 -73.7780 -40.6242 -40.6242 -30.8871 -30.8871 -27.1008 -27.1008 -27.0939 -27.0939 -9.8383 -9.8383 -9.3401 -9.3401 -9.3209 -9.3209 11.7221 11.7221 13.9411 13.9411 13.9675 13.9675 15.7601 15.7601 15.7752 15.7752 16.4704 16.4704 20.3243 20.3243 20.4135 20.4135 20.4704 20.4704 21.5799 21.5799 k = 0.1706 0.1706 0.1706 ( 1629 PWs) bands (ev): -73.7779 -73.7779 -40.6246 -40.6246 -30.8859 -30.8859 -27.1020 -27.1020 -27.0951 -27.0951 -9.8417 -9.8417 -9.3442 -9.3442 -9.3248 -9.3248 11.8177 11.8177 13.9865 13.9865 14.0164 14.0164 15.7350 15.7350 15.7351 15.7351 16.4156 16.4156 20.3270 20.3270 20.4154 20.4154 20.4843 20.4843 21.5320 21.5320 k = 0.1765 0.1765 0.1765 ( 1623 PWs) bands (ev): -73.7778 -73.7778 -40.6250 -40.6250 -30.8846 -30.8846 -27.1033 -27.1033 -27.0962 -27.0962 -9.8451 -9.8451 -9.3482 -9.3482 -9.3287 -9.3287 11.9152 11.9152 14.0322 14.0322 14.0659 14.0659 15.6937 15.6937 15.7104 15.7104 16.3572 16.3572 20.3310 20.3310 20.4164 20.4164 20.5108 20.5108 21.4865 21.4865 k = 0.1824 0.1824 0.1824 ( 1617 PWs) bands (ev): -73.7777 -73.7777 -40.6253 -40.6253 -30.8833 -30.8833 -27.1045 -27.1045 -27.0974 -27.0974 -9.8485 -9.8485 -9.3522 -9.3522 -9.3327 -9.3327 12.0145 12.0145 14.0777 14.0777 14.1157 14.1157 15.6514 15.6514 15.6861 15.6861 16.2957 16.2957 20.3365 20.3365 20.4165 20.4165 20.5487 20.5487 21.4435 21.4435 k = 0.1882 0.1882 0.1882 ( 1614 PWs) bands (ev): -73.7776 -73.7776 -40.6257 -40.6257 -30.8820 -30.8820 -27.1058 -27.1058 -27.0987 -27.0987 -9.8520 -9.8520 -9.3563 -9.3563 -9.3368 -9.3368 12.1155 12.1155 14.1231 14.1231 14.1657 14.1657 15.6082 15.6082 15.6623 15.6623 16.2317 16.2317 20.3427 20.3427 20.4150 20.4150 20.5975 20.5975 21.4037 21.4037 k = 0.1941 0.1941 0.1941 ( 1617 PWs) bands (ev): -73.7775 -73.7775 -40.6262 -40.6262 -30.8806 -30.8806 -27.1071 -27.1071 -27.1000 -27.1000 -9.8555 -9.8555 -9.3603 -9.3603 -9.3409 -9.3409 12.2180 12.2180 14.1678 14.1678 14.2155 14.2155 15.5643 15.5643 15.6393 15.6393 16.1661 16.1661 20.3495 20.3495 20.4117 20.4117 20.6562 20.6562 21.3675 21.3675 k = 0.2000 0.2000 0.2000 ( 1623 PWs) bands (ev): -73.7774 -73.7774 -40.6267 -40.6267 -30.8792 -30.8792 -27.1085 -27.1085 -27.1014 -27.1014 -9.8591 -9.8591 -9.3643 -9.3643 -9.3452 -9.3452 12.3220 12.3220 14.2117 14.2117 14.2648 14.2648 15.5200 15.5200 15.6173 15.6173 16.0995 16.0995 20.3567 20.3567 20.4061 20.4061 20.7244 20.7244 21.3357 21.3357 k = 0.2059 0.2059 0.2059 ( 1622 PWs) bands (ev): -73.7773 -73.7773 -40.6272 -40.6272 -30.8778 -30.8778 -27.1098 -27.1098 -27.1028 -27.1028 -9.8627 -9.8627 -9.3683 -9.3683 -9.3495 -9.3495 12.4273 12.4273 14.2546 14.2546 14.3135 14.3135 15.4759 15.4759 15.5969 15.5969 16.0329 16.0329 20.3639 20.3639 20.3977 20.3977 20.8013 20.8013 21.3088 21.3088 k = 0.2118 0.2118 0.2118 ( 1616 PWs) bands (ev): -73.7772 -73.7772 -40.6276 -40.6276 -30.8763 -30.8763 -27.1111 -27.1111 -27.1043 -27.1043 -9.8662 -9.8662 -9.3721 -9.3721 -9.3537 -9.3537 12.5337 12.5337 14.2961 14.2961 14.3610 14.3610 15.4325 15.4325 15.5784 15.5784 15.9667 15.9667 20.3708 20.3708 20.3861 20.3861 20.8862 20.8862 21.2874 21.2874 k = 0.2176 0.2176 0.2176 ( 1616 PWs) bands (ev): -73.7771 -73.7771 -40.6280 -40.6280 -30.8748 -30.8748 -27.1125 -27.1125 -27.1058 -27.1058 -9.8697 -9.8697 -9.3760 -9.3760 -9.3581 -9.3581 12.6411 12.6411 14.3358 14.3358 14.4067 14.4067 15.3903 15.3903 15.5619 15.5619 15.9015 15.9015 20.3704 20.3704 20.3763 20.3763 20.9784 20.9784 21.2721 21.2721 k = 0.2235 0.2235 0.2235 ( 1616 PWs) bands (ev): -73.7770 -73.7770 -40.6285 -40.6285 -30.8733 -30.8733 -27.1138 -27.1138 -27.1073 -27.1073 -9.8733 -9.8733 -9.3798 -9.3798 -9.3625 -9.3625 12.7494 12.7494 14.3735 14.3735 14.4500 14.4500 15.3502 15.3502 15.5480 15.5480 15.8378 15.8378 20.3504 20.3504 20.3801 20.3801 21.0768 21.0768 21.2636 21.2636 k = 0.2294 0.2294 0.2294 ( 1616 PWs) bands (ev): -73.7769 -73.7769 -40.6290 -40.6290 -30.8717 -30.8717 -27.1152 -27.1152 -27.1089 -27.1089 -9.8769 -9.8769 -9.3836 -9.3836 -9.3669 -9.3669 12.8583 12.8583 14.4086 14.4086 14.4899 14.4899 15.3134 15.3134 15.5371 15.5371 15.7760 15.7760 20.3261 20.3261 20.3814 20.3814 21.1785 21.1785 21.2644 21.2644 k = 0.2353 0.2353 0.2353 ( 1604 PWs) bands (ev): -73.7767 -73.7767 -40.6293 -40.6293 -30.8702 -30.8702 -27.1165 -27.1165 -27.1105 -27.1105 -9.8804 -9.8804 -9.3873 -9.3873 -9.3712 -9.3712 12.9678 12.9678 14.4408 14.4408 14.5253 14.5253 15.2815 15.2815 15.5298 15.5298 15.7166 15.7166 20.2976 20.2976 20.3798 20.3798 21.2476 21.2476 21.2983 21.2983 k = 0.2412 0.2412 0.2412 ( 1607 PWs) bands (ev): -73.7766 -73.7766 -40.6298 -40.6298 -30.8686 -30.8686 -27.1179 -27.1179 -27.1121 -27.1121 -9.8841 -9.8841 -9.3910 -9.3910 -9.3757 -9.3757 13.0774 13.0774 14.4697 14.4697 14.5548 14.5548 15.2557 15.2557 15.5260 15.5260 15.6592 15.6592 20.2647 20.2647 20.3740 20.3740 21.2640 21.2640 21.2873 21.2873 k = 0.2471 0.2471 0.2471 ( 1607 PWs) bands (ev): -73.7765 -73.7765 -40.6303 -40.6303 -30.8670 -30.8670 -27.1193 -27.1193 -27.1138 -27.1138 -9.8877 -9.8877 -9.3947 -9.3947 -9.3802 -9.3802 13.1871 13.1871 14.4950 14.4950 14.5772 14.5772 15.2381 15.2381 15.5264 15.5264 15.6044 15.6044 20.2280 20.2280 20.3638 20.3638 21.2795 21.2795 21.2825 21.2825 k = 0.2529 0.2529 0.2529 ( 1607 PWs) bands (ev): -73.7764 -73.7764 -40.6307 -40.6307 -30.8654 -30.8654 -27.1207 -27.1207 -27.1154 -27.1154 -9.8913 -9.8913 -9.3983 -9.3983 -9.3847 -9.3847 13.2965 13.2965 14.5163 14.5163 14.5915 14.5915 15.2302 15.2302 15.5313 15.5313 15.5522 15.5522 20.1877 20.1877 20.3487 20.3487 21.2841 21.2841 21.2992 21.2992 k = 0.2588 0.2588 0.2588 ( 1607 PWs) bands (ev): -73.7763 -73.7763 -40.6312 -40.6312 -30.8638 -30.8638 -27.1221 -27.1221 -27.1171 -27.1171 -9.8949 -9.8949 -9.4019 -9.4019 -9.3891 -9.3891 13.4050 13.4050 14.5336 14.5336 14.5975 14.5975 15.2327 15.2327 15.5025 15.5025 15.5408 15.5408 20.1444 20.1444 20.3287 20.3287 21.2921 21.2921 21.3230 21.3230 k = 0.2647 0.2647 0.2647 ( 1613 PWs) bands (ev): -73.7763 -73.7763 -40.6317 -40.6317 -30.8622 -30.8622 -27.1234 -27.1234 -27.1188 -27.1188 -9.8986 -9.8986 -9.4056 -9.4056 -9.3937 -9.3937 13.5122 13.5122 14.5467 14.5467 14.5961 14.5961 15.2454 15.2454 15.4554 15.4554 15.5549 15.5549 20.0983 20.0983 20.3037 20.3037 21.3062 21.3062 21.3506 21.3506 k = 0.2706 0.2706 0.2706 ( 1604 PWs) bands (ev): -73.7761 -73.7761 -40.6321 -40.6321 -30.8606 -30.8606 -27.1248 -27.1248 -27.1204 -27.1204 -9.9021 -9.9021 -9.4090 -9.4090 -9.3981 -9.3981 13.6174 13.6174 14.5560 14.5560 14.5894 14.5894 15.2672 15.2672 15.4111 15.4111 15.5739 15.5739 20.0499 20.0499 20.2740 20.2740 21.3265 21.3265 21.3821 21.3821 k = 0.2765 0.2765 0.2765 ( 1604 PWs) bands (ev): -73.7760 -73.7760 -40.6325 -40.6325 -30.8590 -30.8590 -27.1261 -27.1261 -27.1221 -27.1221 -9.9057 -9.9057 -9.4126 -9.4126 -9.4025 -9.4025 13.7193 13.7193 14.5613 14.5613 14.5801 14.5801 15.2953 15.2953 15.3704 15.3704 15.5972 15.5972 19.9994 19.9994 20.2399 20.2399 21.3520 21.3520 21.4165 21.4165 k = 0.2824 0.2824 0.2824 ( 1604 PWs) bands (ev): -73.7759 -73.7759 -40.6330 -40.6330 -30.8574 -30.8574 -27.1275 -27.1275 -27.1238 -27.1238 -9.9094 -9.9094 -9.4160 -9.4160 -9.4070 -9.4070 13.8163 13.8163 14.5631 14.5631 14.5717 14.5717 15.3135 15.3135 15.3481 15.3481 15.6247 15.6247 19.9472 19.9472 20.2018 20.2018 21.3824 21.3824 21.4536 21.4536 k = 0.2882 0.2882 0.2882 ( 1610 PWs) bands (ev): -73.7758 -73.7758 -40.6335 -40.6335 -30.8558 -30.8558 -27.1288 -27.1288 -27.1255 -27.1255 -9.9130 -9.9130 -9.4196 -9.4196 -9.4114 -9.4114 13.9058 13.9058 14.5618 14.5618 14.5680 14.5680 15.2851 15.2851 15.3792 15.3792 15.6560 15.6560 19.8933 19.8933 20.1601 20.1601 21.4169 21.4169 21.4930 21.4930 k = 0.2941 0.2941 0.2941 ( 1610 PWs) bands (ev): -73.7757 -73.7757 -40.6340 -40.6340 -30.8542 -30.8542 -27.1301 -27.1301 -27.1271 -27.1271 -9.9166 -9.9166 -9.4230 -9.4230 -9.4158 -9.4158 13.9844 13.9844 14.5578 14.5578 14.5740 14.5740 15.2507 15.2507 15.4223 15.4223 15.6907 15.6907 19.8382 19.8382 20.1151 20.1151 21.4554 21.4554 21.5346 21.5346 k = 0.3000 0.3000 0.3000 ( 1610 PWs) bands (ev): -73.7756 -73.7756 -40.6344 -40.6344 -30.8526 -30.8526 -27.1314 -27.1314 -27.1287 -27.1287 -9.9202 -9.9202 -9.4265 -9.4265 -9.4201 -9.4201 14.0480 14.0480 14.5516 14.5516 14.5943 14.5943 15.2178 15.2178 15.4689 15.4689 15.7285 15.7285 19.7819 19.7819 20.0673 20.0673 21.4970 21.4970 21.5780 21.5780 k = 0.3059 0.3059 0.3059 ( 1610 PWs) bands (ev): -73.7755 -73.7755 -40.6348 -40.6348 -30.8511 -30.8511 -27.1327 -27.1327 -27.1303 -27.1303 -9.9238 -9.9238 -9.4299 -9.4299 -9.4244 -9.4244 14.0937 14.0937 14.5435 14.5435 14.6323 14.6323 15.1870 15.1870 15.5179 15.5179 15.7689 15.7689 19.7246 19.7246 20.0169 20.0169 21.5414 21.5414 21.6229 21.6229 k = 0.3118 0.3118 0.3118 ( 1616 PWs) bands (ev): -73.7755 -73.7755 -40.6353 -40.6353 -30.8495 -30.8495 -27.1340 -27.1340 -27.1319 -27.1319 -9.9275 -9.9275 -9.4333 -9.4333 -9.4287 -9.4287 14.1216 14.1216 14.5339 14.5339 14.6879 14.6879 15.1588 15.1588 15.5686 15.5686 15.8116 15.8116 19.6664 19.6664 19.9642 19.9642 21.5879 21.5879 21.6690 21.6690 k = 0.3176 0.3176 0.3176 ( 1616 PWs) bands (ev): -73.7754 -73.7754 -40.6357 -40.6357 -30.8480 -30.8480 -27.1353 -27.1353 -27.1334 -27.1334 -9.9310 -9.9310 -9.4367 -9.4367 -9.4329 -9.4329 14.1354 14.1354 14.5231 14.5231 14.7569 14.7569 15.1342 15.1342 15.6208 15.6208 15.8563 15.8563 19.6075 19.6075 19.9095 19.9095 21.6364 21.6364 21.7161 21.7161 k = 0.3235 0.3235 0.3235 ( 1622 PWs) bands (ev): -73.7753 -73.7753 -40.6362 -40.6362 -30.8465 -30.8465 -27.1365 -27.1365 -27.1350 -27.1350 -9.9346 -9.9346 -9.4402 -9.4402 -9.4370 -9.4370 14.1395 14.1395 14.5115 14.5115 14.8326 14.8326 15.1148 15.1148 15.6741 15.6741 15.9027 15.9027 19.5479 19.5479 19.8529 19.8529 21.6864 21.6864 21.7640 21.7640 k = 0.3294 0.3294 0.3294 ( 1622 PWs) bands (ev): -73.7752 -73.7752 -40.6366 -40.6366 -30.8451 -30.8451 -27.1377 -27.1377 -27.1364 -27.1364 -9.9381 -9.9381 -9.4435 -9.4435 -9.4410 -9.4410 14.1383 14.1383 14.4993 14.4993 14.9056 14.9056 15.1068 15.1068 15.7285 15.7285 15.9507 15.9507 19.4878 19.4878 19.7947 19.7947 21.7375 21.7375 21.8125 21.8125 k = 0.3353 0.3353 0.3353 ( 1610 PWs) bands (ev): -73.7751 -73.7751 -40.6369 -40.6369 -30.8436 -30.8436 -27.1388 -27.1388 -27.1378 -27.1378 -9.9416 -9.9416 -9.4467 -9.4467 -9.4449 -9.4449 14.1343 14.1343 14.4869 14.4869 14.9572 14.9572 15.1260 15.1260 15.7839 15.7839 16.0001 16.0001 19.4274 19.4274 19.7350 19.7350 21.7895 21.7895 21.8615 21.8615 k = 0.3412 0.3412 0.3412 ( 1610 PWs) bands (ev): -73.7750 -73.7750 -40.6373 -40.6373 -30.8423 -30.8423 -27.1400 -27.1400 -27.1391 -27.1391 -9.9450 -9.9450 -9.4500 -9.4500 -9.4488 -9.4488 14.1293 14.1293 14.4741 14.4741 14.9727 14.9727 15.1841 15.1841 15.8403 15.8403 16.0505 16.0505 19.3665 19.3665 19.6739 19.6739 21.8419 21.8419 21.9104 21.9104 k = 0.3471 0.3471 0.3471 ( 1604 PWs) bands (ev): -73.7749 -73.7749 -40.6376 -40.6376 -30.8409 -30.8409 -27.1411 -27.1411 -27.1404 -27.1404 -9.9484 -9.9484 -9.4532 -9.4532 -9.4526 -9.4526 14.1248 14.1248 14.4612 14.4612 14.9675 14.9675 15.2650 15.2650 15.8979 15.8979 16.1019 16.1019 19.3054 19.3054 19.6116 19.6116 21.8946 21.8946 21.9594 21.9594 k = 0.3529 0.3529 0.3529 ( 1610 PWs) bands (ev): -73.7748 -73.7748 -40.6380 -40.6380 -30.8396 -30.8396 -27.1422 -27.1422 -27.1417 -27.1417 -9.9518 -9.9518 -9.4565 -9.4565 -9.4564 -9.4564 14.1209 14.1209 14.4484 14.4484 14.9555 14.9555 15.3533 15.3533 15.9567 15.9567 16.1541 16.1541 19.2439 19.2439 19.5479 19.5479 21.9471 21.9471 22.0080 22.0080 k = 0.3588 0.3588 0.3588 ( 1610 PWs) bands (ev): -73.7747 -73.7747 -40.6384 -40.6384 -30.8383 -30.8383 -27.1433 -27.1433 -27.1429 -27.1429 -9.9551 -9.9551 -9.4600 -9.4600 -9.4597 -9.4597 14.1184 14.1184 14.4358 14.4358 14.9417 14.9417 15.4433 15.4433 16.0170 16.0170 16.2072 16.2072 19.1825 19.1825 19.4833 19.4833 21.9993 21.9993 22.0561 22.0561 k = 0.3647 0.3647 0.3647 ( 1610 PWs) bands (ev): -73.7746 -73.7746 -40.6387 -40.6387 -30.8371 -30.8371 -27.1443 -27.1443 -27.1441 -27.1441 -9.9584 -9.9584 -9.4635 -9.4635 -9.4629 -9.4629 14.1174 14.1174 14.4234 14.4234 14.9278 14.9278 15.5323 15.5323 16.0788 16.0788 16.2610 16.2610 19.1211 19.1211 19.4178 19.4178 22.0510 22.0510 22.1037 22.1037 k = 0.3706 0.3706 0.3706 ( 1610 PWs) bands (ev): -73.7746 -73.7746 -40.6391 -40.6391 -30.8359 -30.8359 -27.1453 -27.1453 -27.1452 -27.1452 -9.9616 -9.9616 -9.4669 -9.4669 -9.4660 -9.4660 14.1181 14.1181 14.4114 14.4114 14.9145 14.9145 15.6191 15.6191 16.1426 16.1426 16.3155 16.3155 19.0598 19.0598 19.3516 19.3516 22.1018 22.1018 22.1504 22.1504 k = 0.3765 0.3765 0.3765 ( 1610 PWs) bands (ev): -73.7745 -73.7745 -40.6394 -40.6394 -30.8348 -30.8348 -27.1463 -27.1463 -27.1462 -27.1462 -9.9647 -9.9647 -9.4702 -9.4702 -9.4691 -9.4691 14.1205 14.1205 14.3998 14.3998 14.9022 14.9022 15.7028 15.7028 16.2084 16.2084 16.3705 16.3705 18.9987 18.9987 19.2845 19.2845 22.1516 22.1516 22.1961 22.1961 k = 0.3824 0.3824 0.3824 ( 1610 PWs) bands (ev): -73.7744 -73.7744 -40.6397 -40.6397 -30.8337 -30.8337 -27.1473 -27.1473 -27.1471 -27.1471 -9.9677 -9.9677 -9.4734 -9.4734 -9.4721 -9.4721 14.1246 14.1246 14.3887 14.3887 14.8909 14.8909 15.7826 15.7826 16.2763 16.2763 16.4261 16.4261 18.9379 18.9379 19.2169 19.2169 22.2002 22.2002 22.2407 22.2407 k = 0.3882 0.3882 0.3882 ( 1616 PWs) bands (ev): -73.7744 -73.7744 -40.6401 -40.6401 -30.8326 -30.8326 -27.1482 -27.1482 -27.1480 -27.1480 -9.9707 -9.9707 -9.4765 -9.4765 -9.4751 -9.4751 14.1301 14.1301 14.3780 14.3780 14.8808 14.8808 15.8581 15.8581 16.3464 16.3464 16.4822 16.4822 18.8774 18.8774 19.1485 19.1485 22.2473 22.2473 22.2839 22.2839 k = 0.3941 0.3941 0.3941 ( 1616 PWs) bands (ev): -73.7743 -73.7743 -40.6403 -40.6403 -30.8316 -30.8316 -27.1491 -27.1491 -27.1489 -27.1489 -9.9736 -9.9736 -9.4794 -9.4794 -9.4779 -9.4779 14.1372 14.1372 14.3679 14.3679 14.8718 14.8718 15.9293 15.9293 16.4185 16.4185 16.5388 16.5388 18.8176 18.8176 19.0799 19.0799 22.2929 22.2929 22.3257 22.3257 k = 0.4000 0.4000 0.4000 ( 1628 PWs) bands (ev): -73.7743 -73.7743 -40.6407 -40.6407 -30.8307 -30.8307 -27.1500 -27.1500 -27.1497 -27.1497 -9.9764 -9.9764 -9.4823 -9.4823 -9.4808 -9.4808 14.1454 14.1454 14.3582 14.3582 14.8640 14.8640 15.9956 15.9956 16.4919 16.4919 16.5957 16.5957 18.7583 18.7583 19.0109 19.0109 22.3366 22.3366 22.3658 22.3658 k = 0.4059 0.4059 0.4059 ( 1622 PWs) bands (ev): -73.7742 -73.7742 -40.6409 -40.6409 -30.8298 -30.8298 -27.1508 -27.1508 -27.1504 -27.1504 -9.9790 -9.9790 -9.4849 -9.4849 -9.4835 -9.4835 14.1547 14.1547 14.3493 14.3493 14.8575 14.8575 16.0580 16.0580 16.5669 16.5669 16.6532 16.6532 18.6999 18.6999 18.9417 18.9417 22.3786 22.3786 22.4044 22.4044 k = 0.4118 0.4118 0.4118 ( 1622 PWs) bands (ev): -73.7741 -73.7741 -40.6412 -40.6412 -30.8289 -30.8289 -27.1515 -27.1515 -27.1512 -27.1512 -9.9816 -9.9816 -9.4874 -9.4874 -9.4860 -9.4860 14.1649 14.1649 14.3408 14.3408 14.8520 14.8520 16.1162 16.1162 16.6424 16.6424 16.7110 16.7110 18.6424 18.6424 18.8725 18.8725 22.4185 22.4185 22.4410 22.4410 k = 0.4176 0.4176 0.4176 ( 1616 PWs) bands (ev): -73.7741 -73.7741 -40.6414 -40.6414 -30.8281 -30.8281 -27.1522 -27.1522 -27.1518 -27.1518 -9.9839 -9.9839 -9.4898 -9.4898 -9.4884 -9.4884 14.1758 14.1758 14.3329 14.3329 14.8476 14.8476 16.1705 16.1705 16.7180 16.7180 16.7691 16.7691 18.5860 18.5860 18.8034 18.8034 22.4563 22.4563 22.4758 22.4758 k = 0.4235 0.4235 0.4235 ( 1613 PWs) bands (ev): -73.7740 -73.7740 -40.6415 -40.6415 -30.8274 -30.8274 -27.1528 -27.1528 -27.1525 -27.1525 -9.9862 -9.9862 -9.4920 -9.4920 -9.4907 -9.4907 14.1869 14.1869 14.3256 14.3256 14.8442 14.8442 16.2212 16.2212 16.7931 16.7931 16.8274 16.8274 18.5307 18.5307 18.7343 18.7343 22.4917 22.4917 22.5084 22.5084 k = 0.4294 0.4294 0.4294 ( 1610 PWs) bands (ev): -73.7740 -73.7740 -40.6417 -40.6417 -30.8267 -30.8267 -27.1533 -27.1533 -27.1530 -27.1530 -9.9883 -9.9883 -9.4941 -9.4941 -9.4929 -9.4929 14.1984 14.1984 14.3189 14.3189 14.8419 14.8419 16.2683 16.2683 16.8669 16.8669 16.8857 16.8857 18.4768 18.4768 18.6657 18.6657 22.5248 22.5248 22.5390 22.5390 k = 0.4353 0.4353 0.4353 ( 1610 PWs) bands (ev): -73.7739 -73.7739 -40.6419 -40.6419 -30.8261 -30.8261 -27.1538 -27.1538 -27.1536 -27.1536 -9.9903 -9.9903 -9.4960 -9.4960 -9.4949 -9.4949 14.2096 14.2096 14.3127 14.3127 14.8403 14.8403 16.3120 16.3120 16.9388 16.9388 16.9441 16.9441 18.4243 18.4243 18.5976 18.5976 22.5554 22.5554 22.5672 22.5672 k = 0.4412 0.4412 0.4412 ( 1610 PWs) bands (ev): -73.7739 -73.7739 -40.6421 -40.6421 -30.8255 -30.8255 -27.1543 -27.1543 -27.1541 -27.1541 -9.9922 -9.9922 -9.4978 -9.4978 -9.4968 -9.4968 14.2205 14.2205 14.3070 14.3070 14.8396 14.8396 16.3524 16.3524 17.0023 17.0023 17.0085 17.0085 18.3736 18.3736 18.5302 18.5302 22.5836 22.5836 22.5933 22.5933 k = 0.4471 0.4471 0.4471 ( 1610 PWs) bands (ev): -73.7738 -73.7738 -40.6422 -40.6422 -30.8250 -30.8250 -27.1547 -27.1547 -27.1545 -27.1545 -9.9939 -9.9939 -9.4994 -9.4994 -9.4986 -9.4986 14.2309 14.2309 14.3020 14.3020 14.8394 14.8394 16.3895 16.3895 17.0600 17.0600 17.0752 17.0752 18.3249 18.3249 18.4640 18.4640 22.6092 22.6092 22.6169 22.6169 k = 0.4529 0.4529 0.4529 ( 1610 PWs) bands (ev): -73.7738 -73.7738 -40.6424 -40.6424 -30.8245 -30.8245 -27.1551 -27.1551 -27.1549 -27.1549 -9.9954 -9.9954 -9.5009 -9.5009 -9.5002 -9.5002 14.2406 14.2406 14.2975 14.2975 14.8399 14.8399 16.4232 16.4232 17.1170 17.1170 17.1384 17.1384 18.2784 18.2784 18.3993 18.3993 22.6321 22.6321 22.6382 22.6382 k = 0.4588 0.4588 0.4588 ( 1616 PWs) bands (ev): -73.7738 -73.7738 -40.6425 -40.6425 -30.8241 -30.8241 -27.1554 -27.1554 -27.1553 -27.1553 -9.9968 -9.9968 -9.5022 -9.5022 -9.5016 -9.5016 14.2496 14.2496 14.2934 14.2934 14.8407 14.8407 16.4534 16.4534 17.1727 17.1727 17.1975 17.1975 18.2344 18.2344 18.3364 18.3364 22.6524 22.6524 22.6571 22.6571 k = 0.4647 0.4647 0.4647 ( 1616 PWs) bands (ev): -73.7738 -73.7738 -40.6426 -40.6426 -30.8237 -30.8237 -27.1557 -27.1557 -27.1557 -27.1557 -9.9980 -9.9980 -9.5033 -9.5033 -9.5029 -9.5029 14.2575 14.2575 14.2900 14.2900 14.8418 14.8418 16.4801 16.4801 17.2266 17.2266 17.2520 17.2520 18.1936 18.1936 18.2763 18.2763 22.6701 22.6701 22.6735 22.6735 k = 0.4706 0.4706 0.4706 ( 1622 PWs) bands (ev): -73.7738 -73.7738 -40.6428 -40.6428 -30.8234 -30.8234 -27.1560 -27.1560 -27.1560 -27.1560 -9.9991 -9.9991 -9.5043 -9.5043 -9.5040 -9.5040 14.2644 14.2644 14.2870 14.2870 14.8429 14.8429 16.5030 16.5030 17.2776 17.2776 17.3009 17.3009 18.1564 18.1564 18.2198 18.2198 22.6851 22.6851 22.6874 22.6874 k = 0.4765 0.4765 0.4765 ( 1622 PWs) bands (ev): -73.7738 -73.7738 -40.6429 -40.6429 -30.8232 -30.8232 -27.1562 -27.1562 -27.1562 -27.1562 -9.9999 -9.9999 -9.5051 -9.5051 -9.5048 -9.5048 14.2701 14.2701 14.2847 14.2847 14.8441 14.8441 16.5220 16.5220 17.3246 17.3246 17.3436 17.3436 18.1237 18.1237 18.1684 18.1684 22.6974 22.6974 22.6988 22.6988 k = 0.4824 0.4824 0.4824 ( 1625 PWs) bands (ev): -73.7738 -73.7738 -40.6430 -40.6430 -30.8230 -30.8230 -27.1564 -27.1564 -27.1563 -27.1563 -10.0006 -10.0006 -9.5058 -9.5058 -9.5055 -9.5055 14.2747 14.2747 14.2828 14.2828 14.8452 14.8452 16.5370 16.5370 17.3656 17.3656 17.3787 17.3787 18.0963 18.0963 18.1238 18.1238 22.7069 22.7069 22.7076 22.7076 k = 0.4882 0.4882 0.4882 ( 1631 PWs) bands (ev): -73.7738 -73.7738 -40.6431 -40.6431 -30.8229 -30.8229 -27.1565 -27.1565 -27.1564 -27.1564 -10.0011 -10.0011 -9.5062 -9.5062 -9.5061 -9.5061 14.2779 14.2779 14.2815 14.2815 14.8460 14.8460 16.5477 16.5477 17.3981 17.3981 17.4050 17.4050 18.0755 18.0755 18.0887 18.0887 22.6970 22.6970 22.7137 22.7137 k = 0.4941 0.4941 0.4941 ( 1640 PWs) bands (ev): -73.7738 -73.7738 -40.6432 -40.6432 -30.8228 -30.8228 -27.1566 -27.1566 -27.1566 -27.1566 -10.0015 -10.0015 -9.5065 -9.5065 -9.5065 -9.5065 14.2797 14.2797 14.2807 14.2807 14.8465 14.8465 16.5541 16.5541 17.4193 17.4193 17.4212 17.4212 18.0624 18.0624 18.0658 18.0658 22.6787 22.6787 22.7178 22.7178 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): -73.7738 -73.7738 -40.6432 -40.6432 -30.8227 -30.8227 -27.1566 -27.1566 -27.1566 -27.1566 -10.0016 -10.0016 -9.5066 -9.5066 -9.5066 -9.5066 14.2804 14.2804 14.2804 14.2804 14.8466 14.8466 16.5563 16.5563 17.4268 17.4268 17.4268 17.4268 18.0579 18.0579 18.0579 18.0579 22.6726 22.6726 22.7192 22.7192 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): -73.7738 -73.7738 -40.6432 -40.6432 -30.8227 -30.8227 -27.1566 -27.1566 -27.1566 -27.1566 -10.0016 -10.0016 -9.5066 -9.5066 -9.5066 -9.5066 14.2804 14.2804 14.2804 14.2804 14.8466 14.8466 16.5563 16.5563 17.4268 17.4268 17.4268 17.4268 18.0579 18.0579 18.0579 18.0579 22.6726 22.6726 22.7192 22.7192 k = 0.4929 0.5000 0.4929 ( 1640 PWs) bands (ev): -73.7738 -73.7738 -40.6432 -40.6432 -30.8228 -30.8228 -27.1566 -27.1566 -27.1566 -27.1566 -10.0015 -10.0015 -9.5065 -9.5065 -9.5064 -9.5064 14.2797 14.2797 14.2807 14.2807 14.8465 14.8465 16.5541 16.5541 17.4164 17.4164 17.4244 17.4244 18.0605 18.0605 18.0674 18.0674 22.6786 22.6786 22.7173 22.7173 k = 0.4857 0.5000 0.4857 ( 1630 PWs) bands (ev): -73.7738 -73.7738 -40.6431 -40.6431 -30.8229 -30.8229 -27.1566 -27.1566 -27.1564 -27.1564 -10.0011 -10.0011 -9.5064 -9.5064 -9.5059 -9.5059 14.2779 14.2779 14.2815 14.2815 14.8460 14.8460 16.5478 16.5478 17.3871 17.3871 17.4178 17.4178 18.0682 18.0682 18.0943 18.0943 22.6966 22.6967 22.7116 22.7116 k = 0.4786 0.5000 0.4786 ( 1622 PWs) bands (ev): -73.7737 -73.7737 -40.6429 -40.6429 -30.8230 -30.8230 -27.1565 -27.1565 -27.1562 -27.1562 -10.0006 -10.0006 -9.5061 -9.5061 -9.5052 -9.5052 14.2747 14.2747 14.2828 14.2828 14.8452 14.8452 16.5368 16.5368 17.3423 17.3423 17.4076 17.4076 18.0802 18.0802 18.1351 18.1351 22.7021 22.7021 22.7129 22.7129 k = 0.4714 0.5000 0.4714 ( 1618 PWs) bands (ev): -73.7737 -73.7737 -40.6428 -40.6428 -30.8232 -30.8232 -27.1564 -27.1564 -27.1559 -27.1559 -9.9999 -9.9999 -9.5058 -9.5058 -9.5042 -9.5042 14.2702 14.2702 14.2847 14.2847 14.8442 14.8442 16.5209 16.5209 17.2859 17.2859 17.3956 17.3956 18.0953 18.0953 18.1857 18.1857 22.6889 22.6889 22.7081 22.7081 k = 0.4643 0.5000 0.4643 ( 1614 PWs) bands (ev): -73.7737 -73.7737 -40.6427 -40.6427 -30.8234 -30.8234 -27.1564 -27.1564 -27.1555 -27.1555 -9.9991 -9.9991 -9.5053 -9.5053 -9.5029 -9.5029 14.2643 14.2643 14.2871 14.2871 14.8430 14.8430 16.4998 16.4998 17.2210 17.2210 17.3834 17.3834 18.1125 18.1125 18.2431 18.2431 22.6720 22.6720 22.7021 22.7021 k = 0.4571 0.5000 0.4571 ( 1614 PWs) bands (ev): -73.7738 -73.7738 -40.6426 -40.6426 -30.8237 -30.8237 -27.1563 -27.1563 -27.1551 -27.1551 -9.9981 -9.9981 -9.5049 -9.5049 -9.5014 -9.5014 14.2572 14.2572 14.2899 14.2899 14.8417 14.8417 16.4732 16.4732 17.1496 17.1496 17.3725 17.3725 18.1308 18.1308 18.3050 18.3050 22.6513 22.6513 22.6946 22.6946 k = 0.4500 0.5000 0.4500 ( 1614 PWs) bands (ev): -73.7738 -73.7738 -40.6425 -40.6425 -30.8241 -30.8241 -27.1562 -27.1562 -27.1546 -27.1546 -9.9969 -9.9969 -9.5044 -9.5044 -9.4996 -9.4996 14.2489 14.2489 14.2934 14.2934 14.8406 14.8406 16.4411 16.4411 17.0734 17.0734 17.3639 17.3639 18.1494 18.1494 18.3700 18.3700 22.6271 22.6271 22.6860 22.6860 k = 0.4429 0.5000 0.4429 ( 1614 PWs) bands (ev): -73.7738 -73.7738 -40.6424 -40.6424 -30.8245 -30.8245 -27.1562 -27.1562 -27.1540 -27.1540 -9.9956 -9.9956 -9.5038 -9.5038 -9.4975 -9.4975 14.2394 14.2394 14.2973 14.2973 14.8396 14.8396 16.4035 16.4035 16.9938 16.9938 17.3586 17.3586 18.1677 18.1677 18.4371 18.4371 22.5992 22.5992 22.6761 22.6761 k = 0.4357 0.5000 0.4357 ( 1614 PWs) bands (ev): -73.7738 -73.7738 -40.6423 -40.6423 -30.8249 -30.8249 -27.1561 -27.1561 -27.1533 -27.1533 -9.9941 -9.9941 -9.5031 -9.5031 -9.4952 -9.4952 14.2287 14.2287 14.3018 14.3018 14.8390 14.8390 16.3606 16.3606 16.9115 16.9115 17.3567 17.3567 18.1853 18.1853 18.5054 18.5054 22.5679 22.5679 22.6651 22.6651 k = 0.4286 0.5000 0.4286 ( 1614 PWs) bands (ev): -73.7739 -73.7739 -40.6421 -40.6421 -30.8254 -30.8254 -27.1560 -27.1560 -27.1526 -27.1526 -9.9925 -9.9925 -9.5023 -9.5023 -9.4926 -9.4926 14.2170 14.2170 14.3068 14.3068 14.8388 14.8388 16.3127 16.3127 16.8274 16.8274 17.3584 17.3584 18.2020 18.2020 18.5744 18.5744 22.5332 22.5332 22.6531 22.6531 k = 0.4214 0.5000 0.4214 ( 1614 PWs) bands (ev): -73.7739 -73.7739 -40.6420 -40.6420 -30.8260 -30.8260 -27.1558 -27.1558 -27.1518 -27.1518 -9.9907 -9.9907 -9.5015 -9.5015 -9.4898 -9.4898 14.2044 14.2044 14.3124 14.3124 14.8391 14.8391 16.2603 16.2603 16.7422 16.7422 17.3635 17.3635 18.2176 18.2176 18.6438 18.6438 22.4952 22.4952 22.6400 22.6400 k = 0.4143 0.5000 0.4143 ( 1614 PWs) bands (ev): -73.7740 -73.7740 -40.6418 -40.6418 -30.8266 -30.8266 -27.1557 -27.1557 -27.1509 -27.1509 -9.9888 -9.9888 -9.5006 -9.5006 -9.4868 -9.4868 14.1910 14.1910 14.3185 14.3185 14.8400 14.8400 16.2037 16.2037 16.6567 16.6567 17.3716 17.3716 18.2321 18.2321 18.7130 18.7130 22.4539 22.4539 22.6261 22.6261 k = 0.4071 0.5000 0.4071 ( 1618 PWs) bands (ev): -73.7740 -73.7740 -40.6416 -40.6416 -30.8273 -30.8273 -27.1556 -27.1556 -27.1499 -27.1499 -9.9867 -9.9867 -9.4996 -9.4996 -9.4835 -9.4835 14.1768 14.1768 14.3251 14.3251 14.8414 14.8414 16.1433 16.1433 16.5713 16.5713 17.3822 17.3822 18.2454 18.2454 18.7818 18.7818 22.4095 22.4095 22.6113 22.6113 k = 0.4000 0.5000 0.4000 ( 1610 PWs) bands (ev): -73.7740 -73.7740 -40.6413 -40.6413 -30.8280 -30.8280 -27.1554 -27.1554 -27.1489 -27.1489 -9.9845 -9.9845 -9.4986 -9.4986 -9.4799 -9.4799 14.1621 14.1621 14.3325 14.3325 14.8435 14.8435 16.0797 16.0797 16.4868 16.4868 17.3951 17.3951 18.2576 18.2576 18.8502 18.8502 22.3620 22.3620 22.5959 22.5959 k = 0.3929 0.5000 0.3929 ( 1618 PWs) bands (ev): -73.7741 -73.7741 -40.6412 -40.6412 -30.8287 -30.8287 -27.1552 -27.1552 -27.1478 -27.1478 -9.9823 -9.9823 -9.4975 -9.4975 -9.4763 -9.4763 14.1468 14.1468 14.3402 14.3402 14.8460 14.8460 16.0129 16.0129 16.4036 16.4036 17.4093 17.4093 18.2687 18.2687 18.9175 18.9175 22.3115 22.3115 22.5798 22.5798 k = 0.3857 0.5000 0.3857 ( 1614 PWs) bands (ev): -73.7742 -73.7742 -40.6409 -40.6409 -30.8295 -30.8295 -27.1550 -27.1550 -27.1467 -27.1467 -9.9799 -9.9799 -9.4963 -9.4963 -9.4723 -9.4723 14.1313 14.1313 14.3485 14.3485 14.8491 14.8491 15.9437 15.9437 16.3224 16.3224 17.4248 17.4248 18.2789 18.2789 18.9837 18.9837 22.2582 22.2582 22.5634 22.5634 k = 0.3786 0.5000 0.3786 ( 1610 PWs) bands (ev): -73.7742 -73.7742 -40.6406 -40.6406 -30.8304 -30.8304 -27.1547 -27.1547 -27.1454 -27.1454 -9.9774 -9.9774 -9.4951 -9.4951 -9.4682 -9.4682 14.1158 14.1158 14.3573 14.3573 14.8525 14.8525 15.8724 15.8724 16.2435 16.2435 17.4409 17.4409 18.2882 18.2882 19.0487 19.0487 22.2023 22.2023 22.5466 22.5466 k = 0.3714 0.5000 0.3714 ( 1610 PWs) bands (ev): -73.7743 -73.7743 -40.6404 -40.6404 -30.8313 -30.8313 -27.1545 -27.1545 -27.1441 -27.1441 -9.9749 -9.9749 -9.4939 -9.4939 -9.4638 -9.4638 14.1003 14.1003 14.3667 14.3667 14.8560 14.8560 15.7996 15.7996 16.1672 16.1672 17.4571 17.4571 18.2967 18.2967 19.1122 19.1122 22.1436 22.1436 22.5295 22.5295 k = 0.3643 0.5000 0.3643 ( 1616 PWs) bands (ev): -73.7743 -73.7743 -40.6402 -40.6402 -30.8322 -30.8322 -27.1542 -27.1542 -27.1428 -27.1428 -9.9724 -9.9724 -9.4926 -9.4926 -9.4594 -9.4594 14.0848 14.0848 14.3765 14.3765 14.8592 14.8592 15.7258 15.7258 16.0938 16.0938 17.4730 17.4730 18.3045 18.3045 19.1739 19.1739 22.0823 22.0823 22.5123 22.5123 k = 0.3571 0.5000 0.3571 ( 1612 PWs) bands (ev): -73.7744 -73.7744 -40.6398 -40.6398 -30.8332 -30.8332 -27.1539 -27.1539 -27.1414 -27.1414 -9.9697 -9.9697 -9.4913 -9.4913 -9.4547 -9.4547 14.0698 14.0698 14.3869 14.3869 14.8618 14.8618 15.6521 15.6521 16.0234 16.0234 17.4884 17.4884 18.3117 18.3117 19.2341 19.2341 22.0187 22.0187 22.4952 22.4952 k = 0.3500 0.5000 0.3500 ( 1612 PWs) bands (ev): -73.7745 -73.7745 -40.6396 -40.6396 -30.8342 -30.8342 -27.1536 -27.1536 -27.1400 -27.1400 -9.9670 -9.9670 -9.4899 -9.4899 -9.4499 -9.4499 14.0553 14.0553 14.3977 14.3977 14.8631 14.8631 15.5794 15.5794 15.9560 15.9560 17.5027 17.5027 18.3184 18.3184 19.2923 19.2923 21.9527 21.9527 22.4782 22.4782 k = 0.3429 0.5000 0.3429 ( 1616 PWs) bands (ev): -73.7745 -73.7745 -40.6393 -40.6393 -30.8353 -30.8353 -27.1533 -27.1533 -27.1385 -27.1385 -9.9644 -9.9644 -9.4885 -9.4885 -9.4450 -9.4450 14.0413 14.0413 14.4088 14.4088 14.8621 14.8621 15.5092 15.5092 15.8915 15.8915 17.5158 17.5158 18.3246 18.3246 19.3485 19.3485 21.8844 21.8844 22.4615 22.4615 k = 0.3357 0.5000 0.3357 ( 1616 PWs) bands (ev): -73.7746 -73.7746 -40.6390 -40.6390 -30.8364 -30.8364 -27.1529 -27.1529 -27.1369 -27.1369 -9.9617 -9.9617 -9.4870 -9.4870 -9.4400 -9.4400 14.0280 14.0280 14.4204 14.4204 14.8575 14.8575 15.4431 15.4431 15.8302 15.8302 17.5273 17.5273 18.3305 18.3305 19.4026 19.4026 21.8141 21.8141 22.4451 22.4451 k = 0.3286 0.5000 0.3286 ( 1616 PWs) bands (ev): -73.7747 -73.7747 -40.6387 -40.6387 -30.8375 -30.8375 -27.1525 -27.1525 -27.1353 -27.1353 -9.9589 -9.9589 -9.4855 -9.4855 -9.4348 -9.4348 14.0155 14.0155 14.4323 14.4323 14.8477 14.8477 15.3831 15.3831 15.7721 15.7721 17.5370 17.5370 18.3362 18.3362 19.4545 19.4545 21.7417 21.7417 22.4292 22.4292 k = 0.3214 0.5000 0.3214 ( 1616 PWs) bands (ev): -73.7748 -73.7748 -40.6383 -40.6383 -30.8387 -30.8387 -27.1520 -27.1520 -27.1337 -27.1337 -9.9562 -9.9562 -9.4839 -9.4839 -9.4295 -9.4295 14.0039 14.0039 14.4444 14.4444 14.8307 14.8307 15.3315 15.3315 15.7173 15.7173 17.5445 17.5445 18.3418 18.3418 19.5040 19.5040 21.6674 21.6674 22.4139 22.4139 k = 0.3143 0.5000 0.3143 ( 1614 PWs) bands (ev): -73.7748 -73.7748 -40.6380 -40.6380 -30.8399 -30.8399 -27.1516 -27.1516 -27.1320 -27.1320 -9.9535 -9.9535 -9.4823 -9.4823 -9.4241 -9.4241 13.9933 13.9933 14.4566 14.4566 14.8049 14.8049 15.2901 15.2901 15.6662 15.6662 17.5497 17.5497 18.3474 18.3474 19.5512 19.5512 21.5914 21.5914 22.3992 22.3992 k = 0.3071 0.5000 0.3071 ( 1614 PWs) bands (ev): -73.7749 -73.7749 -40.6376 -40.6376 -30.8411 -30.8411 -27.1511 -27.1511 -27.1303 -27.1303 -9.9509 -9.9509 -9.4807 -9.4807 -9.4186 -9.4186 13.9836 13.9836 14.4685 14.4685 14.7696 14.7696 15.2597 15.2597 15.6188 15.6188 17.5523 17.5523 18.3529 18.3529 19.5960 19.5960 21.5137 21.5137 22.3851 22.3851 k = 0.3000 0.5000 0.3000 ( 1622 PWs) bands (ev): -73.7750 -73.7750 -40.6374 -40.6374 -30.8424 -30.8424 -27.1506 -27.1506 -27.1286 -27.1286 -9.9483 -9.9483 -9.4792 -9.4792 -9.4132 -9.4132 13.9746 13.9746 14.4798 14.4798 14.7257 14.7257 15.2394 15.2394 15.5759 15.5759 17.5521 17.5521 18.3585 18.3585 19.6383 19.6383 21.4343 21.4343 22.3717 22.3717 k = 0.2929 0.5000 0.2929 ( 1622 PWs) bands (ev): -73.7751 -73.7751 -40.6370 -40.6370 -30.8436 -30.8436 -27.1501 -27.1501 -27.1268 -27.1268 -9.9458 -9.9458 -9.4775 -9.4775 -9.4076 -9.4076 13.9669 13.9669 14.4898 14.4898 14.6758 14.6758 15.2270 15.2270 15.5383 15.5383 17.5492 17.5492 18.3642 18.3642 19.6781 19.6781 21.3535 21.3535 22.3592 22.3592 k = 0.2857 0.5000 0.2857 ( 1610 PWs) bands (ev): -73.7751 -73.7751 -40.6366 -40.6366 -30.8449 -30.8449 -27.1495 -27.1495 -27.1250 -27.1250 -9.9432 -9.9432 -9.4757 -9.4757 -9.4019 -9.4019 13.9601 13.9601 14.4963 14.4963 14.6244 14.6244 15.2197 15.2197 15.5073 15.5073 17.5433 17.5433 18.3702 18.3702 19.7157 19.7157 21.2716 21.2716 22.3473 22.3473 k = 0.2786 0.5000 0.2786 ( 1610 PWs) bands (ev): -73.7752 -73.7752 -40.6362 -40.6362 -30.8463 -30.8463 -27.1489 -27.1489 -27.1232 -27.1232 -9.9408 -9.9408 -9.4740 -9.4740 -9.3963 -9.3963 13.9539 13.9539 14.4915 14.4915 14.5805 14.5805 15.2144 15.2144 15.4841 15.4841 17.5343 17.5343 18.3764 18.3764 19.7505 19.7505 21.1881 21.1881 22.3362 22.3362 k = 0.2714 0.5000 0.2714 ( 1602 PWs) bands (ev): -73.7753 -73.7753 -40.6358 -40.6358 -30.8476 -30.8476 -27.1482 -27.1482 -27.1213 -27.1213 -9.9384 -9.9384 -9.4723 -9.4723 -9.3905 -9.3905 13.9482 13.9482 14.4610 14.4610 14.5607 14.5607 15.2086 15.2086 15.4702 15.4702 17.5225 17.5225 18.3829 18.3829 19.7828 19.7828 21.1037 21.1037 22.3257 22.3257 k = 0.2643 0.5000 0.2643 ( 1602 PWs) bands (ev): -73.7754 -73.7754 -40.6354 -40.6354 -30.8490 -30.8490 -27.1476 -27.1476 -27.1194 -27.1194 -9.9362 -9.9362 -9.4705 -9.4705 -9.3848 -9.3848 13.9424 13.9424 14.4110 14.4110 14.5598 14.5598 15.2008 15.2008 15.4662 15.4662 17.5073 17.5073 18.3896 18.3896 19.8125 19.8125 21.0181 21.0181 22.3156 22.3156 k = 0.2571 0.5000 0.2571 ( 1610 PWs) bands (ev): -73.7755 -73.7755 -40.6351 -40.6351 -30.8504 -30.8504 -27.1470 -27.1470 -27.1176 -27.1176 -9.9341 -9.9341 -9.4688 -9.4688 -9.3792 -9.3792 13.9358 13.9358 14.3565 14.3565 14.5641 14.5641 15.1911 15.1911 15.4718 15.4718 17.4890 17.4890 18.3965 18.3965 19.8395 19.8395 20.9315 20.9315 22.3059 22.3059 k = 0.2500 0.5000 0.2500 ( 1622 PWs) bands (ev): -73.7756 -73.7756 -40.6349 -40.6349 -30.8517 -30.8517 -27.1463 -27.1463 -27.1157 -27.1157 -9.9322 -9.9322 -9.4672 -9.4672 -9.3737 -9.3737 13.9273 13.9273 14.3037 14.3037 14.5687 14.5687 15.1802 15.1802 15.4857 15.4857 17.4676 17.4676 18.4036 18.4036 19.8642 19.8642 20.8439 20.8439 22.2964 22.2964 k = 0.2429 0.5000 0.2429 ( 1618 PWs) bands (ev): -73.7757 -73.7757 -40.6345 -40.6345 -30.8531 -30.8531 -27.1456 -27.1456 -27.1138 -27.1138 -9.9303 -9.9303 -9.4654 -9.4654 -9.3680 -9.3680 13.9156 13.9156 14.2561 14.2561 14.5722 14.5722 15.1701 15.1701 15.5068 15.5068 17.4434 17.4434 18.4110 18.4110 19.8866 19.8866 20.7561 20.7561 22.2871 22.2871 k = 0.2357 0.5000 0.2357 ( 1606 PWs) bands (ev): -73.7757 -73.7757 -40.6340 -40.6340 -30.8545 -30.8545 -27.1448 -27.1448 -27.1119 -27.1119 -9.9284 -9.9284 -9.4635 -9.4635 -9.3624 -9.3624 13.8987 13.8987 14.2163 14.2163 14.5738 14.5738 15.1619 15.1619 15.5334 15.5334 17.4163 17.4163 18.4188 18.4188 19.9069 19.9069 20.6678 20.6678 22.2776 22.2776 k = 0.2286 0.5000 0.2286 ( 1606 PWs) bands (ev): -73.7758 -73.7758 -40.6336 -40.6336 -30.8559 -30.8559 -27.1440 -27.1440 -27.1100 -27.1100 -9.9267 -9.9267 -9.4617 -9.4617 -9.3569 -9.3569 13.8746 13.8746 14.1861 14.1861 14.5729 14.5729 15.1567 15.1567 15.5646 15.5646 17.3862 17.3862 18.4266 18.4266 19.9246 19.9246 20.5790 20.5790 22.2677 22.2677 k = 0.2214 0.5000 0.2214 ( 1606 PWs) bands (ev): -73.7759 -73.7759 -40.6332 -40.6332 -30.8573 -30.8573 -27.1433 -27.1433 -27.1081 -27.1081 -9.9251 -9.9251 -9.4599 -9.4599 -9.3514 -9.3514 13.8428 13.8428 14.1667 14.1667 14.5695 14.5695 15.1551 15.1551 15.5995 15.5995 17.3534 17.3534 18.4346 18.4346 19.9401 19.9401 20.4899 20.4899 22.2572 22.2572 k = 0.2143 0.5000 0.2143 ( 1614 PWs) bands (ev): -73.7760 -73.7760 -40.6330 -40.6330 -30.8587 -30.8587 -27.1425 -27.1425 -27.1063 -27.1063 -9.9238 -9.9238 -9.4582 -9.4582 -9.3461 -9.3461 13.8043 13.8043 14.1573 14.1573 14.5635 14.5635 15.1575 15.1575 15.6374 15.6374 17.3180 17.3180 18.4427 18.4427 19.9533 19.9533 20.4006 20.4006 22.2458 22.2458 k = 0.2071 0.5000 0.2071 ( 1610 PWs) bands (ev): -73.7761 -73.7761 -40.6326 -40.6326 -30.8601 -30.8601 -27.1417 -27.1417 -27.1044 -27.1044 -9.9224 -9.9224 -9.4564 -9.4564 -9.3408 -9.3408 13.7609 13.7609 14.1562 14.1562 14.5553 14.5553 15.1640 15.1640 15.6784 15.6784 17.2803 17.2803 18.4510 18.4510 19.9644 19.9644 20.3119 20.3119 22.2332 22.2332 k = 0.2000 0.5000 0.2000 ( 1610 PWs) bands (ev): -73.7761 -73.7761 -40.6322 -40.6322 -30.8615 -30.8615 -27.1409 -27.1409 -27.1026 -27.1026 -9.9213 -9.9213 -9.4546 -9.4546 -9.3356 -9.3356 13.7145 13.7145 14.1614 14.1614 14.5451 14.5451 15.1745 15.1745 15.7219 15.7219 17.2402 17.2402 18.4594 18.4594 19.9729 19.9729 20.2236 20.2236 22.2192 22.2192 k = 0.1929 0.5000 0.1929 ( 1610 PWs) bands (ev): -73.7762 -73.7762 -40.6319 -40.6319 -30.8629 -30.8629 -27.1401 -27.1401 -27.1008 -27.1008 -9.9202 -9.9202 -9.4528 -9.4528 -9.3305 -9.3305 13.6666 13.6666 14.1716 14.1716 14.5334 14.5334 15.1886 15.1886 15.7677 15.7677 17.1980 17.1980 18.4678 18.4678 19.9779 19.9779 20.1373 20.1373 22.2035 22.2035 k = 0.1857 0.5000 0.1857 ( 1610 PWs) bands (ev): -73.7763 -73.7763 -40.6315 -40.6315 -30.8642 -30.8642 -27.1393 -27.1393 -27.0990 -27.0990 -9.9193 -9.9193 -9.4511 -9.4511 -9.3255 -9.3255 13.6183 13.6183 14.1854 14.1854 14.5208 14.5208 15.2060 15.2060 15.8156 15.8156 17.1538 17.1538 18.4762 18.4762 19.9739 19.9739 20.0587 20.0587 22.1860 22.1860 k = 0.1786 0.5000 0.1786 ( 1610 PWs) bands (ev): -73.7764 -73.7764 -40.6312 -40.6312 -30.8656 -30.8656 -27.1385 -27.1385 -27.0972 -27.0972 -9.9185 -9.9185 -9.4493 -9.4493 -9.3206 -9.3206 13.5703 13.5703 14.2020 14.2020 14.5079 14.5079 15.2262 15.2262 15.8655 15.8655 17.1079 17.1079 18.4847 18.4847 19.9324 19.9324 20.0163 20.0163 22.1664 22.1664 k = 0.1714 0.5000 0.1714 ( 1606 PWs) bands (ev): -73.7764 -73.7764 -40.6308 -40.6308 -30.8669 -30.8669 -27.1377 -27.1377 -27.0955 -27.0955 -9.9177 -9.9177 -9.4476 -9.4476 -9.3158 -9.3158 13.5231 13.5231 14.2205 14.2205 14.4954 14.4954 15.2490 15.2490 15.9171 15.9171 17.0603 17.0603 18.4932 18.4932 19.8550 19.8550 20.0094 20.0094 22.1030 22.1030 k = 0.1643 0.5000 0.1643 ( 1608 PWs) bands (ev): -73.7765 -73.7765 -40.6305 -40.6305 -30.8681 -30.8681 -27.1368 -27.1368 -27.0938 -27.0938 -9.9172 -9.9172 -9.4459 -9.4459 -9.3112 -9.3112 13.4771 13.4771 14.2399 14.2399 14.4843 14.4843 15.2737 15.2737 15.9703 15.9703 17.0114 17.0114 18.5017 18.5017 19.7708 19.7708 20.0083 20.0083 21.9745 21.9745 k = 0.1571 0.5000 0.1571 ( 1608 PWs) bands (ev): -73.7766 -73.7766 -40.6302 -40.6302 -30.8694 -30.8694 -27.1360 -27.1360 -27.0921 -27.0921 -9.9167 -9.9167 -9.4442 -9.4442 -9.3067 -9.3067 13.4325 13.4325 14.2591 14.2591 14.4758 14.4758 15.3003 15.3003 16.0248 16.0248 16.9611 16.9611 18.5101 18.5101 19.6860 19.6860 20.0078 20.0078 21.8470 21.8470 k = 0.1500 0.5000 0.1500 ( 1608 PWs) bands (ev): -73.7766 -73.7766 -40.6299 -40.6299 -30.8706 -30.8706 -27.1352 -27.1352 -27.0905 -27.0905 -9.9163 -9.9163 -9.4426 -9.4426 -9.3024 -9.3024 13.3894 13.3894 14.2764 14.2764 14.4715 14.4715 15.3284 15.3284 16.0804 16.0804 16.9100 16.9100 18.5186 18.5186 19.6017 19.6017 20.0068 20.0068 21.7208 21.7208 k = 0.1429 0.5000 0.1429 ( 1608 PWs) bands (ev): -73.7767 -73.7767 -40.6296 -40.6296 -30.8718 -30.8718 -27.1345 -27.1345 -27.0890 -27.0890 -9.9160 -9.9160 -9.4410 -9.4410 -9.2983 -9.2983 13.3480 13.3480 14.2897 14.2897 14.4736 14.4736 15.3576 15.3576 16.1368 16.1368 16.8582 16.8582 18.5269 18.5269 19.5185 19.5185 20.0050 20.0050 21.5959 21.5959 k = 0.1357 0.5000 0.1357 ( 1608 PWs) bands (ev): -73.7768 -73.7768 -40.6293 -40.6293 -30.8730 -30.8730 -27.1337 -27.1337 -27.0875 -27.0875 -9.9158 -9.9158 -9.4395 -9.4395 -9.2943 -9.2943 13.3083 13.3083 14.2975 14.2975 14.4837 14.4837 15.3875 15.3875 16.1936 16.1936 16.8062 16.8062 18.5352 18.5352 19.4366 19.4366 20.0026 20.0026 21.4727 21.4727 k = 0.1286 0.5000 0.1286 ( 1606 PWs) bands (ev): -73.7768 -73.7768 -40.6291 -40.6291 -30.8741 -30.8741 -27.1329 -27.1329 -27.0860 -27.0860 -9.9157 -9.9157 -9.4380 -9.4380 -9.2904 -9.2904 13.2706 13.2706 14.2992 14.2992 14.5022 14.5022 15.4181 15.4181 16.2502 16.2502 16.7547 16.7547 18.5435 18.5435 19.3566 19.3566 19.9994 19.9994 21.3513 21.3513 k = 0.1214 0.5000 0.1214 ( 1606 PWs) bands (ev): -73.7769 -73.7769 -40.6288 -40.6288 -30.8751 -30.8751 -27.1322 -27.1322 -27.0846 -27.0846 -9.9156 -9.9156 -9.4365 -9.4365 -9.2868 -9.2868 13.2347 13.2347 14.2961 14.2961 14.5280 14.5280 15.4488 15.4488 16.3053 16.3053 16.7048 16.7048 18.5516 18.5516 19.2784 19.2784 19.9956 19.9956 21.2321 21.2321 k = 0.1143 0.5000 0.1143 ( 1610 PWs) bands (ev): -73.7770 -73.7770 -40.6286 -40.6286 -30.8762 -30.8762 -27.1315 -27.1315 -27.0833 -27.0833 -9.9156 -9.9156 -9.4352 -9.4352 -9.2833 -9.2833 13.2008 13.2008 14.2896 14.2896 14.5593 14.5593 15.4793 15.4793 16.3566 16.3566 16.6588 16.6588 18.5595 18.5595 19.2021 19.2021 19.9913 19.9913 21.1152 21.1152 k = 0.1071 0.5000 0.1071 ( 1610 PWs) bands (ev): -73.7770 -73.7770 -40.6284 -40.6284 -30.8771 -30.8771 -27.1308 -27.1308 -27.0820 -27.0820 -9.9157 -9.9157 -9.4339 -9.4339 -9.2801 -9.2801 13.1688 13.1688 14.2814 14.2814 14.5949 14.5949 15.5093 15.5093 16.3983 16.3983 16.6228 16.6228 18.5673 18.5673 19.1286 19.1286 19.9864 19.9864 21.0011 21.0011 k = 0.1000 0.5000 0.1000 ( 1610 PWs) bands (ev): -73.7771 -73.7771 -40.6281 -40.6281 -30.8781 -30.8781 -27.1302 -27.1302 -27.0808 -27.0808 -9.9158 -9.9158 -9.4326 -9.4326 -9.2770 -9.2770 13.1388 13.1388 14.2722 14.2722 14.6335 14.6335 15.5385 15.5385 16.4175 16.4175 16.6095 16.6095 18.5748 18.5748 19.0580 19.0580 19.9811 19.9811 20.8901 20.8901 k = 0.0929 0.5000 0.0929 ( 1614 PWs) bands (ev): -73.7771 -73.7771 -40.6280 -40.6280 -30.8789 -30.8789 -27.1296 -27.1296 -27.0797 -27.0797 -9.9160 -9.9160 -9.4314 -9.4314 -9.2741 -9.2741 13.1109 13.1109 14.2627 14.2627 14.6746 14.6746 15.5662 15.5662 16.4047 16.4047 16.6284 16.6284 18.5819 18.5819 18.9907 18.9907 19.9753 19.9753 20.7826 20.7826 k = 0.0857 0.5000 0.0857 ( 1622 PWs) bands (ev): -73.7772 -73.7772 -40.6279 -40.6279 -30.8798 -30.8798 -27.1290 -27.1290 -27.0787 -27.0787 -9.9162 -9.9162 -9.4304 -9.4304 -9.2715 -9.2715 13.0849 13.0849 14.2533 14.2533 14.7174 14.7174 15.5919 15.5919 16.3710 16.3710 16.6686 16.6686 18.5882 18.5882 18.9273 18.9273 19.9689 19.9689 20.6790 20.6790 k = 0.0786 0.5000 0.0786 ( 1618 PWs) bands (ev): -73.7772 -73.7772 -40.6276 -40.6276 -30.8805 -30.8805 -27.1285 -27.1285 -27.0777 -27.0777 -9.9164 -9.9164 -9.4293 -9.4293 -9.2689 -9.2689 13.0611 13.0611 14.2442 14.2442 14.7619 14.7619 15.6149 15.6149 16.3297 16.3297 16.7172 16.7172 18.5933 18.5933 18.8688 18.8688 19.9623 19.9623 20.5803 20.5803 k = 0.0714 0.5000 0.0714 ( 1618 PWs) bands (ev): -73.7773 -73.7773 -40.6275 -40.6275 -30.8812 -30.8812 -27.1279 -27.1279 -27.0768 -27.0768 -9.9166 -9.9166 -9.4283 -9.4283 -9.2666 -9.2666 13.0392 13.0392 14.2357 14.2357 14.8075 14.8075 15.6345 15.6345 16.2868 16.2868 16.7680 16.7680 18.5963 18.5963 18.8162 18.8162 19.9551 19.9551 20.4869 20.4869 k = 0.0643 0.5000 0.0643 ( 1614 PWs) bands (ev): -73.7773 -73.7773 -40.6273 -40.6273 -30.8818 -30.8818 -27.1275 -27.1275 -27.0760 -27.0760 -9.9167 -9.9167 -9.4274 -9.4274 -9.2645 -9.2645 13.0195 13.0195 14.2277 14.2277 14.8538 14.8538 15.6497 15.6497 16.2454 16.2454 16.8184 16.8184 18.5954 18.5954 18.7717 18.7717 19.9471 19.9471 20.3998 20.3998 k = 0.0571 0.5000 0.0571 ( 1618 PWs) bands (ev): -73.7773 -73.7773 -40.6272 -40.6272 -30.8824 -30.8824 -27.1271 -27.1271 -27.0752 -27.0752 -9.9170 -9.9170 -9.4267 -9.4267 -9.2627 -9.2627 13.0018 13.0018 14.2204 14.2204 14.9004 14.9004 15.6596 15.6596 16.2074 16.2074 16.8668 16.8668 18.5879 18.5879 18.7379 18.7379 19.9381 19.9381 20.3199 20.3199 k = 0.0500 0.5000 0.0500 ( 1618 PWs) bands (ev): -73.7774 -73.7774 -40.6271 -40.6271 -30.8829 -30.8829 -27.1267 -27.1267 -27.0746 -27.0746 -9.9172 -9.9172 -9.4259 -9.4259 -9.2610 -9.2610 12.9862 12.9862 14.2139 14.2139 14.9467 14.9467 15.6633 15.6633 16.1744 16.1744 16.9122 16.9122 18.5723 18.5723 18.7171 18.7171 19.9276 19.9276 20.2486 20.2486 k = 0.0429 0.5000 0.0429 ( 1628 PWs) bands (ev): -73.7774 -73.7774 -40.6270 -40.6270 -30.8834 -30.8834 -27.1264 -27.1264 -27.0741 -27.0741 -9.9174 -9.9174 -9.4254 -9.4254 -9.2597 -9.2597 12.9726 12.9726 14.2081 14.2081 14.9922 14.9922 15.6604 15.6604 16.1471 16.1471 16.9536 16.9536 18.5499 18.5499 18.7075 18.7075 19.9150 19.9150 20.1870 20.1870 k = 0.0357 0.5000 0.0357 ( 1628 PWs) bands (ev): -73.7774 -73.7774 -40.6270 -40.6270 -30.8838 -30.8838 -27.1261 -27.1261 -27.0736 -27.0736 -9.9176 -9.9176 -9.4249 -9.4249 -9.2585 -9.2585 12.9612 12.9612 14.2033 14.2033 15.0359 15.0359 15.6511 15.6511 16.1262 16.1262 16.9904 16.9904 18.5256 18.5256 18.7053 18.7053 19.9002 19.9002 20.1370 20.1370 k = 0.0286 0.5000 0.0286 ( 1630 PWs) bands (ev): -73.7775 -73.7775 -40.6269 -40.6269 -30.8841 -30.8841 -27.1259 -27.1259 -27.0732 -27.0732 -9.9177 -9.9177 -9.4244 -9.4244 -9.2575 -9.2575 12.9518 12.9518 14.1993 14.1993 15.0767 15.0767 15.6368 15.6368 16.1112 16.1112 17.0216 17.0216 18.5029 18.5029 18.7066 18.7066 19.8833 19.8833 20.0988 20.0988 k = 0.0214 0.5000 0.0214 ( 1630 PWs) bands (ev): -73.7775 -73.7775 -40.6269 -40.6269 -30.8843 -30.8843 -27.1257 -27.1257 -27.0729 -27.0729 -9.9178 -9.9178 -9.4241 -9.4241 -9.2567 -9.2567 12.9445 12.9445 14.1962 14.1962 15.1129 15.1129 15.6199 15.6199 16.1012 16.1012 17.0467 17.0467 18.4837 18.4837 18.7093 18.7093 19.8661 19.8661 20.0720 20.0720 k = 0.0143 0.5000 0.0143 ( 1622 PWs) bands (ev): -73.7775 -73.7775 -40.6267 -40.6267 -30.8845 -30.8845 -27.1255 -27.1255 -27.0726 -27.0726 -9.9179 -9.9179 -9.4238 -9.4238 -9.2561 -9.2561 12.9393 12.9393 14.1940 14.1940 15.1420 15.1420 15.6036 15.6036 16.0952 16.0952 17.0652 17.0652 18.4695 18.4695 18.7120 18.7120 19.8512 19.8512 20.0548 20.0548 k = 0.0071 0.5000 0.0071 ( 1622 PWs) bands (ev): -73.7775 -73.7775 -40.6267 -40.6267 -30.8846 -30.8846 -27.1255 -27.1255 -27.0725 -27.0725 -9.9179 -9.9179 -9.4237 -9.4237 -9.2557 -9.2557 12.9362 12.9362 14.1927 14.1927 15.1612 15.1612 15.5917 15.5917 16.0921 16.0921 17.0764 17.0764 18.4606 18.4606 18.7139 18.7139 19.8410 19.8410 20.0454 20.0454 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): -73.7775 -73.7775 -40.6267 -40.6267 -30.8846 -30.8846 -27.1254 -27.1254 -27.0724 -27.0724 -9.9179 -9.9179 -9.4236 -9.4236 -9.2556 -9.2556 12.9351 12.9351 14.1922 14.1922 15.1680 15.1680 15.5872 15.5872 16.0911 16.0911 17.0801 17.0801 18.4576 18.4576 18.7146 18.7146 19.8373 19.8373 20.0424 20.0424 k = 0.5000 0.5000-0.0000 ( 1628 PWs) bands (ev): -73.7756 -73.7756 -40.6349 -40.6349 -30.8496 -30.8496 -27.1691 -27.1691 -27.0992 -27.0992 -9.9337 -9.9337 -9.5133 -9.5133 -9.2879 -9.2879 12.8660 12.8660 13.2217 13.2217 14.8043 14.8043 15.1514 15.1514 17.9370 17.9370 18.5494 18.5494 18.5706 18.5706 19.3862 19.3862 21.1045 21.1045 22.6275 22.6275 k = 0.5000 0.5000 0.0100 ( 1628 PWs) bands (ev): -73.7756 -73.7756 -40.6349 -40.6349 -30.8496 -30.8496 -27.1691 -27.1691 -27.0993 -27.0993 -9.9337 -9.9337 -9.5133 -9.5133 -9.2881 -9.2881 12.8683 12.8683 13.2228 13.2228 14.8039 14.8039 15.1509 15.1509 17.9371 17.9371 18.5436 18.5436 18.5741 18.5741 19.3829 19.3829 21.1056 21.1056 22.6276 22.6276 k = 0.5000 0.5000 0.0200 ( 1628 PWs) bands (ev): -73.7756 -73.7756 -40.6349 -40.6349 -30.8495 -30.8495 -27.1690 -27.1690 -27.0994 -27.0994 -9.9339 -9.9339 -9.5133 -9.5133 -9.2888 -9.2888 12.8753 12.8753 13.2262 13.2262 14.8026 14.8026 15.1494 15.1494 17.9374 17.9374 18.5307 18.5307 18.5803 18.5803 19.3729 19.3729 21.1089 21.1089 22.6279 22.6279 k = 0.5000 0.5000 0.0300 ( 1628 PWs) bands (ev): -73.7756 -73.7756 -40.6350 -40.6350 -30.8494 -30.8494 -27.1690 -27.1690 -27.0997 -27.0997 -9.9341 -9.9341 -9.5132 -9.5132 -9.2900 -9.2900 12.8868 12.8868 13.2319 13.2319 14.8005 14.8005 15.1470 15.1470 17.9379 17.9379 18.5135 18.5135 18.5863 18.5863 19.3566 19.3566 21.1144 21.1144 22.6284 22.6284 k = 0.5000 0.5000 0.0400 ( 1632 PWs) bands (ev): -73.7756 -73.7756 -40.6351 -40.6351 -30.8492 -30.8492 -27.1689 -27.1689 -27.1001 -27.1001 -9.9344 -9.9344 -9.5132 -9.5132 -9.2918 -9.2918 12.9030 12.9030 13.2397 13.2397 14.7974 14.7974 15.1435 15.1435 17.9385 17.9385 18.4925 18.4925 18.5918 18.5918 19.3341 19.3341 21.1220 21.1220 22.6291 22.6291 k = 0.5000 0.5000 0.0500 ( 1632 PWs) bands (ev): -73.7756 -73.7756 -40.6352 -40.6352 -30.8489 -30.8489 -27.1688 -27.1688 -27.1006 -27.1006 -9.9349 -9.9349 -9.5131 -9.5131 -9.2939 -9.2939 12.9237 12.9237 13.2498 13.2498 14.7936 14.7936 15.1392 15.1392 17.9394 17.9394 18.4678 18.4678 18.5970 18.5970 19.3058 19.3058 21.1319 21.1319 22.6299 22.6299 k = 0.5000 0.5000 0.0600 ( 1624 PWs) bands (ev): -73.7755 -73.7755 -40.6352 -40.6352 -30.8487 -30.8487 -27.1686 -27.1686 -27.1012 -27.1012 -9.9353 -9.9353 -9.5130 -9.5130 -9.2964 -9.2964 12.9491 12.9491 13.2621 13.2621 14.7894 14.7894 15.1342 15.1342 17.9406 17.9406 18.4394 18.4394 18.6022 18.6022 19.2722 19.2722 21.1439 21.1439 22.6310 22.6310 k = 0.5000 0.5000 0.0700 ( 1624 PWs) bands (ev): -73.7755 -73.7755 -40.6353 -40.6353 -30.8483 -30.8483 -27.1685 -27.1685 -27.1020 -27.1020 -9.9360 -9.9360 -9.5129 -9.5129 -9.2994 -9.2994 12.9789 12.9789 13.2764 13.2764 14.7841 14.7841 15.1280 15.1280 17.9418 17.9418 18.4075 18.4075 18.6073 18.6073 19.2338 19.2338 21.1581 21.1581 22.6322 22.6322 k = 0.5000 0.5000 0.0800 ( 1624 PWs) bands (ev): -73.7755 -73.7755 -40.6354 -40.6354 -30.8479 -30.8479 -27.1683 -27.1683 -27.1028 -27.1028 -9.9367 -9.9367 -9.5128 -9.5128 -9.3029 -9.3029 13.0131 13.0131 13.2928 13.2928 14.7781 14.7781 15.1210 15.1210 17.9433 17.9433 18.3722 18.3722 18.6125 18.6125 19.1910 19.1910 21.1745 21.1745 22.6335 22.6335 k = 0.5000 0.5000 0.0900 ( 1624 PWs) bands (ev): -73.7754 -73.7754 -40.6355 -40.6355 -30.8475 -30.8475 -27.1681 -27.1681 -27.1037 -27.1037 -9.9375 -9.9375 -9.5127 -9.5127 -9.3067 -9.3067 13.0518 13.0518 13.3112 13.3112 14.7716 14.7716 15.1133 15.1133 17.9449 17.9449 18.3338 18.3338 18.6179 18.6179 19.1444 19.1444 21.1930 21.1930 22.6350 22.6350 k = 0.5000 0.5000 0.1000 ( 1632 PWs) bands (ev): -73.7754 -73.7754 -40.6357 -40.6357 -30.8470 -30.8470 -27.1679 -27.1679 -27.1047 -27.1047 -9.9385 -9.9385 -9.5127 -9.5127 -9.3110 -9.3110 13.0947 13.0947 13.3314 13.3314 14.7644 14.7644 15.1047 15.1047 17.9465 17.9465 18.2926 18.2926 18.6235 18.6235 19.0944 19.0944 21.2136 21.2136 22.6365 22.6365 k = 0.5000 0.5000 0.1100 ( 1624 PWs) bands (ev): -73.7754 -73.7754 -40.6358 -40.6358 -30.8465 -30.8465 -27.1677 -27.1677 -27.1058 -27.1058 -9.9394 -9.9394 -9.5125 -9.5125 -9.3155 -9.3155 13.1421 13.1421 13.3537 13.3537 14.7568 14.7568 15.0955 15.0955 17.9485 17.9485 18.2489 18.2489 18.6295 18.6295 19.0416 19.0416 21.2367 21.2367 22.6382 22.6382 k = 0.5000 0.5000 0.1200 ( 1616 PWs) bands (ev): -73.7753 -73.7753 -40.6359 -40.6359 -30.8460 -30.8460 -27.1674 -27.1674 -27.1070 -27.1070 -9.9404 -9.9404 -9.5123 -9.5123 -9.3204 -9.3204 13.1938 13.1938 13.3778 13.3778 14.7489 14.7489 15.0857 15.0857 17.9507 17.9507 18.2031 18.2031 18.6355 18.6355 18.9865 18.9865 21.2615 21.2615 22.6402 22.6402 k = 0.5000 0.5000 0.1300 ( 1624 PWs) bands (ev): -73.7753 -73.7753 -40.6362 -40.6362 -30.8454 -30.8454 -27.1671 -27.1671 -27.1083 -27.1083 -9.9417 -9.9417 -9.5122 -9.5122 -9.3258 -9.3258 13.2492 13.2492 13.4032 13.4032 14.7405 14.7405 15.0750 15.0750 17.9529 17.9529 18.1552 18.1552 18.6417 18.6417 18.9294 18.9294 21.2883 21.2883 22.6423 22.6423 k = 0.5000 0.5000 0.1400 ( 1624 PWs) bands (ev): -73.7753 -73.7753 -40.6364 -40.6364 -30.8447 -30.8447 -27.1668 -27.1668 -27.1097 -27.1097 -9.9429 -9.9429 -9.5120 -9.5120 -9.3314 -9.3314 13.3087 13.3087 13.4303 13.4303 14.7322 14.7322 15.0640 15.0640 17.9553 17.9553 18.1059 18.1059 18.6481 18.6481 18.8708 18.8708 21.3172 21.3172 22.6444 22.6444 k = 0.5000 0.5000 0.1500 ( 1616 PWs) bands (ev): -73.7752 -73.7752 -40.6365 -40.6365 -30.8441 -30.8441 -27.1665 -27.1665 -27.1111 -27.1111 -9.9442 -9.9442 -9.5118 -9.5118 -9.3372 -9.3372 13.3720 13.3720 13.4589 13.4589 14.7242 14.7242 15.0530 15.0530 17.9579 17.9579 18.0553 18.0553 18.6545 18.6545 18.8112 18.8112 21.3480 21.3480 22.6467 22.6467 k = 0.5000 0.5000 0.1600 ( 1616 PWs) bands (ev): -73.7751 -73.7751 -40.6367 -40.6367 -30.8434 -30.8434 -27.1661 -27.1661 -27.1125 -27.1125 -9.9457 -9.9457 -9.5116 -9.5116 -9.3433 -9.3433 13.4388 13.4388 13.4888 13.4888 14.7162 14.7162 15.0413 15.0413 17.9605 17.9605 18.0037 18.0037 18.6610 18.6610 18.7507 18.7507 21.3808 21.3808 22.6490 22.6490 k = 0.5000 0.5000 0.1700 ( 1616 PWs) bands (ev): -73.7751 -73.7751 -40.6369 -40.6369 -30.8427 -30.8427 -27.1658 -27.1658 -27.1141 -27.1141 -9.9472 -9.9472 -9.5115 -9.5115 -9.3496 -9.3496 13.5089 13.5089 13.5198 13.5198 14.7086 14.7086 15.0292 15.0292 17.9514 17.9514 17.9632 17.9632 18.6674 18.6674 18.6897 18.6897 21.4155 21.4155 22.6515 22.6515 k = 0.5000 0.5000 0.1800 ( 1616 PWs) bands (ev): -73.7750 -73.7750 -40.6371 -40.6371 -30.8419 -30.8419 -27.1655 -27.1655 -27.1157 -27.1157 -9.9488 -9.9488 -9.5113 -9.5113 -9.3560 -9.3560 13.5519 13.5519 13.5820 13.5820 14.7018 14.7018 15.0170 15.0170 17.8986 17.8986 17.9660 17.9660 18.6286 18.6286 18.6738 18.6738 21.4521 21.4521 22.6540 22.6540 k = 0.5000 0.5000 0.1900 ( 1624 PWs) bands (ev): -73.7750 -73.7750 -40.6375 -40.6375 -30.8411 -30.8411 -27.1651 -27.1651 -27.1174 -27.1174 -9.9506 -9.9506 -9.5111 -9.5111 -9.3628 -9.3628 13.5848 13.5848 13.6577 13.6577 14.6960 14.6960 15.0045 15.0045 17.8456 17.8456 17.9689 17.9689 18.5675 18.5675 18.6797 18.6797 21.4902 21.4902 22.6566 22.6566 k = 0.5000 0.5000 0.2000 ( 1624 PWs) bands (ev): -73.7750 -73.7750 -40.6377 -40.6377 -30.8403 -30.8403 -27.1647 -27.1647 -27.1191 -27.1191 -9.9523 -9.9523 -9.5109 -9.5109 -9.3696 -9.3696 13.6186 13.6186 13.7354 13.7354 14.6919 14.6919 14.9920 14.9920 17.7926 17.7926 17.9717 17.9717 18.5067 18.5067 18.6856 18.6856 21.5303 21.5303 22.6593 22.6593 k = 0.5000 0.5000 0.2100 ( 1616 PWs) bands (ev): -73.7749 -73.7749 -40.6379 -40.6379 -30.8395 -30.8395 -27.1643 -27.1643 -27.1208 -27.1208 -9.9541 -9.9541 -9.5107 -9.5107 -9.3763 -9.3763 13.6530 13.6530 13.8144 13.8144 14.6902 14.6902 14.9796 14.9796 17.7400 17.7400 17.9746 17.9746 18.4467 18.4467 18.6913 18.6913 21.5722 21.5722 22.6621 22.6621 k = 0.5000 0.5000 0.2200 ( 1616 PWs) bands (ev): -73.7748 -73.7748 -40.6381 -40.6381 -30.8387 -30.8387 -27.1640 -27.1640 -27.1226 -27.1226 -9.9560 -9.9560 -9.5104 -9.5104 -9.3833 -9.3833 13.6878 13.6878 13.8937 13.8937 14.6919 14.6919 14.9672 14.9672 17.6877 17.6877 17.9774 17.9774 18.3873 18.3873 18.6963 18.6963 21.6156 21.6156 22.6648 22.6648 k = 0.5000 0.5000 0.2300 ( 1616 PWs) bands (ev): -73.7748 -73.7748 -40.6384 -40.6384 -30.8379 -30.8379 -27.1636 -27.1636 -27.1243 -27.1243 -9.9580 -9.9580 -9.5102 -9.5102 -9.3902 -9.3902 13.7229 13.7229 13.9718 13.9718 14.6982 14.6982 14.9550 14.9550 17.6361 17.6361 17.9800 17.9800 18.3291 18.3291 18.7006 18.7006 21.6604 21.6604 22.6677 22.6677 k = 0.5000 0.5000 0.2400 ( 1600 PWs) bands (ev): -73.7746 -73.7746 -40.6385 -40.6385 -30.8370 -30.8370 -27.1631 -27.1631 -27.1261 -27.1261 -9.9599 -9.9599 -9.5099 -9.5099 -9.3971 -9.3971 13.7583 13.7583 14.0468 14.0468 14.7114 14.7114 14.9434 14.9434 17.5853 17.5853 17.9825 17.9825 18.2723 18.2723 18.7044 18.7044 21.7067 21.7067 22.6707 22.6707 k = 0.5000 0.5000 0.2500 ( 1596 PWs) bands (ev): -73.7746 -73.7746 -40.6387 -40.6387 -30.8362 -30.8362 -27.1627 -27.1627 -27.1279 -27.1279 -9.9619 -9.9619 -9.5097 -9.5097 -9.4039 -9.4039 13.7936 13.7936 14.1161 14.1161 14.7333 14.7333 14.9318 14.9318 17.5355 17.5355 17.9842 17.9842 18.2172 18.2172 18.7072 18.7072 21.7544 21.7544 22.6735 22.6735 k = 0.5000 0.5000 0.2600 ( 1596 PWs) bands (ev): -73.7745 -73.7745 -40.6389 -40.6389 -30.8353 -30.8353 -27.1623 -27.1623 -27.1297 -27.1297 -9.9640 -9.9640 -9.5095 -9.5095 -9.4108 -9.4108 13.8286 13.8286 14.1768 14.1768 14.7669 14.7669 14.9205 14.9205 17.4868 17.4868 17.9847 17.9847 18.1646 18.1646 18.7089 18.7089 21.8031 21.8031 22.6764 22.6764 k = 0.5000 0.5000 0.2700 ( 1604 PWs) bands (ev): -73.7745 -73.7745 -40.6393 -40.6393 -30.8345 -30.8345 -27.1619 -27.1619 -27.1315 -27.1315 -9.9662 -9.9662 -9.5093 -9.5093 -9.4177 -9.4177 13.8633 13.8633 14.2266 14.2266 14.8144 14.8144 14.9097 14.9097 17.4393 17.4393 17.9827 17.9827 18.1157 18.1157 18.7093 18.7093 21.8527 21.8527 22.6792 22.6792 k = 0.5000 0.5000 0.2800 ( 1604 PWs) bands (ev): -73.7744 -73.7744 -40.6395 -40.6395 -30.8337 -30.8337 -27.1616 -27.1616 -27.1333 -27.1333 -9.9684 -9.9684 -9.5091 -9.5091 -9.4244 -9.4244 13.8974 13.8974 14.2646 14.2646 14.8767 14.8767 14.8995 14.8995 17.3935 17.3935 17.9749 17.9749 18.0744 18.0744 18.7083 18.7083 21.9032 21.9032 22.6820 22.6820 k = 0.5000 0.5000 0.2900 ( 1604 PWs) bands (ev): -73.7744 -73.7744 -40.6398 -40.6398 -30.8328 -30.8328 -27.1612 -27.1612 -27.1350 -27.1350 -9.9706 -9.9706 -9.5089 -9.5089 -9.4309 -9.4309 13.9307 13.9307 14.2914 14.2914 14.8900 14.8900 14.9529 14.9529 17.3494 17.3494 17.9549 17.9549 18.0468 18.0468 18.7057 18.7057 21.9544 21.9544 22.6848 22.6848 k = 0.5000 0.5000 0.3000 ( 1604 PWs) bands (ev): -73.7743 -73.7743 -40.6400 -40.6400 -30.8320 -30.8320 -27.1608 -27.1608 -27.1368 -27.1368 -9.9728 -9.9728 -9.5087 -9.5087 -9.4373 -9.4373 13.9632 13.9632 14.3089 14.3089 14.8811 14.8811 15.0408 15.0408 17.3071 17.3071 17.9216 17.9216 18.0344 18.0344 18.7012 18.7012 22.0061 22.0061 22.6876 22.6876 k = 0.5000 0.5000 0.3100 ( 1612 PWs) bands (ev): -73.7743 -73.7743 -40.6403 -40.6403 -30.8312 -30.8312 -27.1604 -27.1604 -27.1385 -27.1385 -9.9750 -9.9750 -9.5085 -9.5085 -9.4436 -9.4436 13.9946 13.9946 14.3194 14.3194 14.8729 14.8729 15.1378 15.1378 17.2667 17.2667 17.8813 17.8813 18.0304 18.0304 18.6946 18.6946 22.0579 22.0579 22.6902 22.6902 k = 0.5000 0.5000 0.3200 ( 1612 PWs) bands (ev): -73.7742 -73.7742 -40.6406 -40.6406 -30.8305 -30.8305 -27.1601 -27.1601 -27.1401 -27.1401 -9.9772 -9.9772 -9.5083 -9.5083 -9.4496 -9.4496 14.0248 14.0248 14.3250 14.3250 14.8657 14.8657 15.2418 15.2418 17.2288 17.2288 17.8396 17.8396 18.0300 18.0300 18.6858 18.6858 22.1099 22.1099 22.6929 22.6929 k = 0.5000 0.5000 0.3300 ( 1612 PWs) bands (ev): -73.7742 -73.7742 -40.6408 -40.6408 -30.8297 -30.8297 -27.1597 -27.1597 -27.1417 -27.1417 -9.9794 -9.9794 -9.5081 -9.5081 -9.4554 -9.4554 14.0536 14.0536 14.3270 14.3270 14.8592 14.8592 15.3508 15.3508 17.1935 17.1935 17.7983 17.7983 18.0311 18.0311 18.6744 18.6744 22.1618 22.1618 22.6954 22.6954 k = 0.5000 0.5000 0.3400 ( 1616 PWs) bands (ev): -73.7741 -73.7741 -40.6411 -40.6411 -30.8290 -30.8290 -27.1594 -27.1594 -27.1433 -27.1433 -9.9815 -9.9815 -9.5079 -9.5079 -9.4610 -9.4610 14.0810 14.0810 14.3268 14.3268 14.8538 14.8538 15.4633 15.4633 17.1608 17.1608 17.7583 17.7583 18.0329 18.0329 18.6599 18.6600 22.2129 22.2129 22.6979 22.6979 k = 0.5000 0.5000 0.3500 ( 1616 PWs) bands (ev): -73.7741 -73.7741 -40.6413 -40.6413 -30.8283 -30.8283 -27.1591 -27.1591 -27.1448 -27.1448 -9.9836 -9.9836 -9.5078 -9.5078 -9.4662 -9.4662 14.1067 14.1067 14.3247 14.3247 14.8492 14.8492 15.5778 15.5778 17.1315 17.1315 17.7199 17.7199 18.0351 18.0351 18.6426 18.6426 22.2636 22.2636 22.7003 22.7003 k = 0.5000 0.5000 0.3600 ( 1616 PWs) bands (ev): -73.7740 -73.7740 -40.6415 -40.6415 -30.8276 -30.8276 -27.1587 -27.1587 -27.1462 -27.1462 -9.9856 -9.9856 -9.5076 -9.5076 -9.4712 -9.4712 14.1306 14.1306 14.3216 14.3216 14.8455 14.8455 15.6932 15.6932 17.1057 17.1057 17.6836 17.6836 18.0374 18.0374 18.6219 18.6219 22.3132 22.3132 22.7026 22.7026 k = 0.5000 0.5000 0.3700 ( 1604 PWs) bands (ev): -73.7740 -73.7740 -40.6415 -40.6415 -30.8270 -30.8270 -27.1584 -27.1584 -27.1475 -27.1475 -9.9875 -9.9875 -9.5074 -9.5074 -9.4758 -9.4758 14.1528 14.1528 14.3180 14.3180 14.8427 14.8427 15.8082 15.8082 17.0845 17.0845 17.6496 17.6496 18.0398 18.0398 18.5977 18.5977 22.3617 22.3617 22.7047 22.7047 k = 0.5000 0.5000 0.3800 ( 1604 PWs) bands (ev): -73.7739 -73.7739 -40.6417 -40.6417 -30.8264 -30.8264 -27.1582 -27.1582 -27.1487 -27.1487 -9.9893 -9.9893 -9.5073 -9.5073 -9.4802 -9.4802 14.1731 14.1731 14.3138 14.3138 14.8408 14.8408 15.9213 15.9213 17.0680 17.0680 17.6175 17.6175 18.0422 18.0422 18.5694 18.5694 22.4083 22.4083 22.7068 22.7068 k = 0.5000 0.5000 0.3900 ( 1604 PWs) bands (ev): -73.7739 -73.7739 -40.6419 -40.6419 -30.8258 -30.8258 -27.1579 -27.1579 -27.1499 -27.1499 -9.9911 -9.9911 -9.5071 -9.5071 -9.4843 -9.4843 14.1915 14.1915 14.3095 14.3095 14.8396 14.8396 16.0307 16.0307 17.0576 17.0576 17.5878 17.5878 18.0445 18.0445 18.5370 18.5370 22.4529 22.4529 22.7087 22.7087 k = 0.5000 0.5000 0.4000 ( 1604 PWs) bands (ev): -73.7738 -73.7738 -40.6420 -40.6420 -30.8253 -30.8253 -27.1576 -27.1576 -27.1510 -27.1510 -9.9928 -9.9928 -9.5070 -9.5070 -9.4880 -9.4880 14.2081 14.2081 14.3051 14.3051 14.8391 14.8391 16.1345 16.1345 17.0547 17.0547 17.5605 17.5605 18.0466 18.0466 18.5003 18.5003 22.4952 22.4952 22.7104 22.7104 k = 0.5000 0.5000 0.4100 ( 1604 PWs) bands (ev): -73.7738 -73.7738 -40.6422 -40.6422 -30.8248 -30.8248 -27.1574 -27.1574 -27.1520 -27.1520 -9.9943 -9.9943 -9.5069 -9.5069 -9.4915 -9.4915 14.2227 14.2227 14.3010 14.3010 14.8392 14.8392 16.2301 16.2301 17.0610 17.0610 17.5356 17.5356 18.0487 18.0487 18.4593 18.4593 22.5347 22.5347 22.7121 22.7121 k = 0.5000 0.5000 0.4200 ( 1604 PWs) bands (ev): -73.7738 -73.7738 -40.6423 -40.6423 -30.8244 -30.8244 -27.1572 -27.1572 -27.1529 -27.1529 -9.9957 -9.9957 -9.5068 -9.5068 -9.4946 -9.4946 14.2355 14.2355 14.2970 14.2970 14.8398 14.8398 16.3149 16.3149 17.0783 17.0783 17.5132 17.5132 18.0505 18.0505 18.4140 18.4140 22.5712 22.5712 22.7135 22.7135 k = 0.5000 0.5000 0.4300 ( 1604 PWs) bands (ev): -73.7737 -73.7737 -40.6424 -40.6424 -30.8240 -30.8240 -27.1570 -27.1570 -27.1537 -27.1537 -9.9970 -9.9970 -9.5067 -9.5067 -9.4973 -9.4973 14.2466 14.2466 14.2934 14.2934 14.8407 14.8407 16.3864 16.3864 17.1081 17.1081 17.4933 17.4933 18.0522 18.0522 18.3648 18.3648 22.6044 22.6044 22.7148 22.7148 k = 0.5000 0.5000 0.4400 ( 1612 PWs) bands (ev): -73.7738 -73.7738 -40.6426 -40.6426 -30.8237 -30.8237 -27.1569 -27.1569 -27.1545 -27.1545 -9.9982 -9.9982 -9.5067 -9.5067 -9.4997 -9.4997 14.2559 14.2559 14.2902 14.2902 14.8418 14.8418 16.4430 16.4430 17.1505 17.1505 17.4759 17.4759 18.0537 18.0537 18.3119 18.3119 22.6338 22.6338 22.7160 22.7160 k = 0.5000 0.5000 0.4500 ( 1612 PWs) bands (ev): -73.7737 -73.7737 -40.6427 -40.6427 -30.8234 -30.8234 -27.1568 -27.1568 -27.1551 -27.1551 -9.9991 -9.9991 -9.5066 -9.5066 -9.5017 -9.5017 14.2637 14.2637 14.2873 14.2873 14.8431 14.8431 16.4855 16.4855 17.2036 17.2036 17.4612 17.4612 18.0550 18.0550 18.2569 18.2569 22.6593 22.6593 22.7169 22.7169 k = 0.5000 0.5000 0.4600 ( 1612 PWs) bands (ev): -73.7737 -73.7737 -40.6428 -40.6428 -30.8232 -30.8232 -27.1567 -27.1567 -27.1556 -27.1556 -9.9999 -9.9999 -9.5065 -9.5065 -9.5034 -9.5034 14.2699 14.2699 14.2850 14.2850 14.8443 14.8443 16.5154 16.5154 17.2631 17.2631 17.4492 17.4492 18.0561 18.0561 18.2015 18.2015 22.6805 22.6805 22.7177 22.7177 k = 0.5000 0.5000 0.4700 ( 1616 PWs) bands (ev): -73.7737 -73.7737 -40.6429 -40.6429 -30.8230 -30.8230 -27.1566 -27.1566 -27.1560 -27.1560 -10.0006 -10.0006 -9.5065 -9.5065 -9.5047 -9.5047 14.2746 14.2746 14.2831 14.2831 14.8453 14.8453 16.5354 16.5354 17.3229 17.3229 17.4396 17.4396 18.0569 18.0569 18.1484 18.1484 22.6973 22.6973 22.7181 22.7181 k = 0.5000 0.5000 0.4800 ( 1632 PWs) bands (ev): -73.7738 -73.7738 -40.6431 -40.6431 -30.8229 -30.8229 -27.1566 -27.1566 -27.1563 -27.1563 -10.0011 -10.0011 -9.5066 -9.5066 -9.5058 -9.5058 14.2778 14.2778 14.2815 14.2815 14.8460 14.8460 16.5475 16.5475 17.3757 17.3757 17.4324 17.4324 18.0574 18.0574 18.1023 18.1023 22.6961 22.6962 22.7094 22.7094 k = 0.5000 0.5000 0.4900 ( 1640 PWs) bands (ev): -73.7738 -73.7738 -40.6432 -40.6432 -30.8228 -30.8228 -27.1566 -27.1566 -27.1565 -27.1565 -10.0015 -10.0015 -9.5066 -9.5066 -9.5064 -9.5064 14.2797 14.2797 14.2807 14.2807 14.8465 14.8465 16.5541 16.5541 17.4131 17.4131 17.4281 17.4281 18.0578 18.0578 18.0698 18.0698 22.6785 22.6785 22.7167 22.7167 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): -73.7738 -73.7738 -40.6432 -40.6432 -30.8227 -30.8227 -27.1566 -27.1566 -27.1566 -27.1566 -10.0016 -10.0016 -9.5066 -9.5066 -9.5066 -9.5066 14.2804 14.2804 14.2804 14.2804 14.8466 14.8466 16.5563 16.5563 17.4268 17.4268 17.4268 17.4268 18.0579 18.0579 18.0579 18.0579 22.6726 22.6726 22.7192 22.7192 Writing output data file ScIr.save init_run : 0.15s CPU 0.29s WALL ( 1 calls) electrons : 51.06s CPU 52.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 51.05s CPU 52.35s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 381 calls) cegterg : 46.59s CPU 47.45s WALL ( 390 calls) Called by sum_band: Called by *egterg: h_psi : 21.44s CPU 22.90s WALL ( 5853 calls) s_psi : 1.14s CPU 1.15s WALL ( 5853 calls) g_psi : 0.07s CPU 0.06s WALL ( 5082 calls) cdiaghg : 23.01s CPU 22.43s WALL ( 5463 calls) cegterg:over : 1.56s CPU 1.68s WALL ( 5082 calls) cegterg:upda : 1.07s CPU 1.04s WALL ( 5082 calls) cegterg:last : 0.57s CPU 0.73s WALL ( 1156 calls) cdiaghg:chol : 1.12s CPU 1.11s WALL ( 5463 calls) cdiaghg:inve : 0.56s CPU 0.57s WALL ( 5463 calls) cdiaghg:para : 1.20s CPU 1.30s WALL ( 10926 calls) Called by h_psi: h_psi:vloc : 18.84s CPU 20.08s WALL ( 5853 calls) h_psi:vnl : 2.56s CPU 2.78s WALL ( 5853 calls) add_vuspsi : 1.43s CPU 1.54s WALL ( 5853 calls) General routines calbec : 1.12s CPU 1.23s WALL ( 5853 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 17.70s CPU 18.70s WALL ( 516784 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.16s WALL ( 762 calls) Parallel routines fft_scatter : 9.19s CPU 9.82s WALL ( 516807 calls) PWSCF : 1m 0.40s CPU 1m10.56s WALL This run was terminated on: 20: 1: 2 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=