Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 5: 6 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: ./PbSe.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 16 5 372 311 55 Max 19 17 6 377 321 58 Sum 681 609 193 13517 11363 2007 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 6.3854 a.u. unit-cell volume = 260.3521 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 212.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.385384 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) Se 6.00 78.96000 Se( 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= 360 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0000000 0.0106383 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0000000 0.0212766 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0000000 0.0319149 -0.0000000), wk = 0.0027778 k( 5) = ( 0.0000000 0.0425532 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0000000 0.0531915 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0000000 0.0638298 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0000000 0.0744681 -0.0000000), wk = 0.0027778 k( 9) = ( 0.0000000 0.0851064 -0.0000000), wk = 0.0027778 k( 10) = ( 0.0000000 0.0957447 -0.0000000), wk = 0.0027778 k( 11) = ( 0.0000000 0.1063830 -0.0000000), wk = 0.0027778 k( 12) = ( 0.0000000 0.1170213 -0.0000000), wk = 0.0027778 k( 13) = ( 0.0000000 0.1276596 -0.0000000), wk = 0.0027778 k( 14) = ( 0.0000000 0.1382979 -0.0000000), wk = 0.0027778 k( 15) = ( 0.0000000 0.1489362 -0.0000000), wk = 0.0027778 k( 16) = ( 0.0000000 0.1595745 -0.0000000), wk = 0.0027778 k( 17) = ( 0.0000000 0.1702128 -0.0000000), wk = 0.0027778 k( 18) = ( 0.0000000 0.1808511 -0.0000000), wk = 0.0027778 k( 19) = ( 0.0000000 0.1914894 -0.0000000), wk = 0.0027778 k( 20) = ( 0.0000000 0.2021277 -0.0000000), wk = 0.0027778 k( 21) = ( 0.0000000 0.2127660 -0.0000000), wk = 0.0027778 k( 22) = ( 0.0000000 0.2234043 -0.0000000), wk = 0.0027778 k( 23) = ( 0.0000000 0.2340425 -0.0000000), wk = 0.0027778 k( 24) = ( 0.0000000 0.2446809 -0.0000000), wk = 0.0027778 k( 25) = ( 0.0000000 0.2553191 -0.0000000), wk = 0.0027778 k( 26) = ( 0.0000000 0.2659574 -0.0000000), wk = 0.0027778 k( 27) = ( 0.0000000 0.2765957 -0.0000000), wk = 0.0027778 k( 28) = ( 0.0000000 0.2872340 -0.0000000), wk = 0.0027778 k( 29) = ( 0.0000000 0.2978723 -0.0000000), wk = 0.0027778 k( 30) = ( 0.0000000 0.3085106 -0.0000000), wk = 0.0027778 k( 31) = ( 0.0000000 0.3191489 -0.0000000), wk = 0.0027778 k( 32) = ( 0.0000000 0.3297872 -0.0000000), wk = 0.0027778 k( 33) = ( 0.0000000 0.3404255 -0.0000000), wk = 0.0027778 k( 34) = ( 0.0000000 0.3510638 -0.0000000), wk = 0.0027778 k( 35) = ( 0.0000000 0.3617021 -0.0000000), wk = 0.0027778 k( 36) = ( 0.0000000 0.3723404 -0.0000000), wk = 0.0027778 k( 37) = ( 0.0000000 0.3829787 -0.0000000), wk = 0.0027778 k( 38) = ( 0.0000000 0.3936170 -0.0000000), wk = 0.0027778 k( 39) = ( 0.0000000 0.4042553 -0.0000000), wk = 0.0027778 k( 40) = ( 0.0000000 0.4148936 -0.0000000), wk = 0.0027778 k( 41) = ( 0.0000000 0.4255319 -0.0000000), wk = 0.0027778 k( 42) = ( 0.0000000 0.4361702 -0.0000000), wk = 0.0027778 k( 43) = ( 0.0000000 0.4468085 -0.0000000), wk = 0.0027778 k( 44) = ( 0.0000000 0.4574468 -0.0000000), wk = 0.0027778 k( 45) = ( 0.0000000 0.4680851 -0.0000000), wk = 0.0027778 k( 46) = ( 0.0000000 0.4787234 -0.0000000), wk = 0.0027778 k( 47) = ( 0.0000000 0.4893617 -0.0000000), wk = 0.0027778 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 50) = ( 0.0106383 0.5000000 -0.0000000), wk = 0.0027778 k( 51) = ( 0.0212766 0.5000000 -0.0000000), wk = 0.0027778 k( 52) = ( 0.0319149 0.5000000 -0.0000000), wk = 0.0027778 k( 53) = ( 0.0425532 0.5000000 -0.0000000), wk = 0.0027778 k( 54) = ( 0.0531915 0.5000000 -0.0000000), wk = 0.0027778 k( 55) = ( 0.0638298 0.5000000 -0.0000000), wk = 0.0027778 k( 56) = ( 0.0744681 0.5000000 -0.0000000), wk = 0.0027778 k( 57) = ( 0.0851064 0.5000000 -0.0000000), wk = 0.0027778 k( 58) = ( 0.0957447 0.5000000 -0.0000000), wk = 0.0027778 k( 59) = ( 0.1063830 0.5000000 -0.0000000), wk = 0.0027778 k( 60) = ( 0.1170213 0.5000000 -0.0000000), wk = 0.0027778 k( 61) = ( 0.1276596 0.5000000 -0.0000000), wk = 0.0027778 k( 62) = ( 0.1382979 0.5000000 -0.0000000), wk = 0.0027778 k( 63) = ( 0.1489362 0.5000000 -0.0000000), wk = 0.0027778 k( 64) = ( 0.1595745 0.5000000 -0.0000000), wk = 0.0027778 k( 65) = ( 0.1702128 0.5000000 -0.0000000), wk = 0.0027778 k( 66) = ( 0.1808511 0.5000000 -0.0000000), wk = 0.0027778 k( 67) = ( 0.1914894 0.5000000 -0.0000000), wk = 0.0027778 k( 68) = ( 0.2021277 0.5000000 -0.0000000), wk = 0.0027778 k( 69) = ( 0.2127660 0.5000000 -0.0000000), wk = 0.0027778 k( 70) = ( 0.2234043 0.5000000 -0.0000000), wk = 0.0027778 k( 71) = ( 0.2340425 0.5000000 -0.0000000), wk = 0.0027778 k( 72) = ( 0.2446809 0.5000000 -0.0000000), wk = 0.0027778 k( 73) = ( 0.2553191 0.5000000 -0.0000000), wk = 0.0027778 k( 74) = ( 0.2659574 0.5000000 -0.0000000), wk = 0.0027778 k( 75) = ( 0.2765957 0.5000000 -0.0000000), wk = 0.0027778 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0027778 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3085106 0.5000000 -0.0000000), wk = 0.0027778 k( 79) = ( 0.3191489 0.5000000 -0.0000000), wk = 0.0027778 k( 80) = ( 0.3297872 0.5000000 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3404255 0.5000000 -0.0000000), wk = 0.0027778 k( 82) = ( 0.3510638 0.5000000 -0.0000000), wk = 0.0027778 k( 83) = ( 0.3617021 0.5000000 -0.0000000), wk = 0.0027778 k( 84) = ( 0.3723404 0.5000000 -0.0000000), wk = 0.0027778 k( 85) = ( 0.3829787 0.5000000 -0.0000000), wk = 0.0027778 k( 86) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0027778 k( 87) = ( 0.4042553 0.5000000 -0.0000000), wk = 0.0027778 k( 88) = ( 0.4148936 0.5000000 -0.0000000), wk = 0.0027778 k( 89) = ( 0.4255319 0.5000000 -0.0000000), wk = 0.0027778 k( 90) = ( 0.4361702 0.5000000 -0.0000000), wk = 0.0027778 k( 91) = ( 0.4468085 0.5000000 -0.0000000), wk = 0.0027778 k( 92) = ( 0.4574468 0.5000000 -0.0000000), wk = 0.0027778 k( 93) = ( 0.4680851 0.5000000 -0.0000000), wk = 0.0027778 k( 94) = ( 0.4787234 0.5000000 -0.0000000), wk = 0.0027778 k( 95) = ( 0.4893617 0.5000000 -0.0000000), wk = 0.0027778 k( 96) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 97) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 98) = ( 0.4924242 0.4924242 -0.0000000), wk = 0.0027778 k( 99) = ( 0.4848485 0.4848485 -0.0000000), wk = 0.0027778 k( 100) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0027778 k( 101) = ( 0.4696970 0.4696970 -0.0000000), wk = 0.0027778 k( 102) = ( 0.4621212 0.4621212 -0.0000000), wk = 0.0027778 k( 103) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0027778 k( 104) = ( 0.4469697 0.4469697 -0.0000000), wk = 0.0027778 k( 105) = ( 0.4393939 0.4393939 -0.0000000), wk = 0.0027778 k( 106) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0027778 k( 107) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0027778 k( 108) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0027778 k( 109) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0027778 k( 110) = ( 0.4015151 0.4015151 -0.0000000), wk = 0.0027778 k( 111) = ( 0.3939394 0.3939394 -0.0000000), wk = 0.0027778 k( 112) = ( 0.3863636 0.3863636 -0.0000000), wk = 0.0027778 k( 113) = ( 0.3787879 0.3787879 -0.0000000), wk = 0.0027778 k( 114) = ( 0.3712121 0.3712121 -0.0000000), wk = 0.0027778 k( 115) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0027778 k( 116) = ( 0.3560606 0.3560606 -0.0000000), wk = 0.0027778 k( 117) = ( 0.3484849 0.3484848 -0.0000000), wk = 0.0027778 k( 118) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0027778 k( 119) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027778 k( 120) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0027778 k( 121) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0027778 k( 122) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0027778 k( 123) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0027778 k( 124) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0027778 k( 125) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0027778 k( 126) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0027778 k( 127) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0027778 k( 128) = ( 0.2651515 0.2651515 -0.0000000), wk = 0.0027778 k( 129) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0027778 k( 130) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027778 k( 131) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0027778 k( 132) = ( 0.2348485 0.2348485 -0.0000000), wk = 0.0027778 k( 133) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0027778 k( 134) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0027778 k( 135) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0027778 k( 136) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0027778 k( 137) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0027778 k( 138) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0027778 k( 139) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0027778 k( 140) = ( 0.1742424 0.1742424 -0.0000000), wk = 0.0027778 k( 141) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027778 k( 142) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0027778 k( 143) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0027778 k( 144) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0027778 k( 145) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0027778 k( 146) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0027778 k( 147) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0027778 k( 148) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0027778 k( 149) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0027778 k( 150) = ( 0.0984848 0.0984848 -0.0000000), wk = 0.0027778 k( 151) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0027778 k( 152) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0027778 k( 153) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0027778 k( 154) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0027778 k( 155) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0027778 k( 156) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0027778 k( 157) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0027778 k( 158) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0027778 k( 159) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0027778 k( 160) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0027778 k( 161) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0027778 k( 162) = ( 0.0075758 0.0075758 -0.0000000), wk = 0.0027778 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 165) = ( 0.0061728 0.0061728 0.0061728), wk = 0.0027778 k( 166) = ( 0.0123457 0.0123457 0.0123457), wk = 0.0027778 k( 167) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0027778 k( 168) = ( 0.0246914 0.0246914 0.0246914), wk = 0.0027778 k( 169) = ( 0.0308642 0.0308642 0.0308642), wk = 0.0027778 k( 170) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0027778 k( 171) = ( 0.0432099 0.0432099 0.0432099), wk = 0.0027778 k( 172) = ( 0.0493827 0.0493827 0.0493827), wk = 0.0027778 k( 173) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0027778 k( 174) = ( 0.0617284 0.0617284 0.0617284), wk = 0.0027778 k( 175) = ( 0.0679012 0.0679012 0.0679012), wk = 0.0027778 k( 176) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0027778 k( 177) = ( 0.0802469 0.0802469 0.0802469), wk = 0.0027778 k( 178) = ( 0.0864198 0.0864197 0.0864197), wk = 0.0027778 k( 179) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0027778 k( 180) = ( 0.0987654 0.0987654 0.0987654), wk = 0.0027778 k( 181) = ( 0.1049383 0.1049383 0.1049383), wk = 0.0027778 k( 182) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0027778 k( 183) = ( 0.1172839 0.1172839 0.1172839), wk = 0.0027778 k( 184) = ( 0.1234568 0.1234568 0.1234568), wk = 0.0027778 k( 185) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0027778 k( 186) = ( 0.1358025 0.1358025 0.1358025), wk = 0.0027778 k( 187) = ( 0.1419753 0.1419753 0.1419753), wk = 0.0027778 k( 188) = ( 0.1481482 0.1481481 0.1481481), wk = 0.0027778 k( 189) = ( 0.1543210 0.1543210 0.1543210), wk = 0.0027778 k( 190) = ( 0.1604938 0.1604938 0.1604938), wk = 0.0027778 k( 191) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027778 k( 192) = ( 0.1728395 0.1728395 0.1728395), wk = 0.0027778 k( 193) = ( 0.1790123 0.1790123 0.1790123), wk = 0.0027778 k( 194) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0027778 k( 195) = ( 0.1913580 0.1913580 0.1913580), wk = 0.0027778 k( 196) = ( 0.1975309 0.1975309 0.1975309), wk = 0.0027778 k( 197) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0027778 k( 198) = ( 0.2098765 0.2098765 0.2098765), wk = 0.0027778 k( 199) = ( 0.2160494 0.2160494 0.2160494), wk = 0.0027778 k( 200) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0027778 k( 201) = ( 0.2283951 0.2283951 0.2283951), wk = 0.0027778 k( 202) = ( 0.2345679 0.2345679 0.2345679), wk = 0.0027778 k( 203) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0027778 k( 204) = ( 0.2469136 0.2469136 0.2469136), wk = 0.0027778 k( 205) = ( 0.2530864 0.2530864 0.2530864), wk = 0.0027778 k( 206) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0027778 k( 207) = ( 0.2654321 0.2654321 0.2654321), wk = 0.0027778 k( 208) = ( 0.2716049 0.2716049 0.2716049), wk = 0.0027778 k( 209) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0027778 k( 210) = ( 0.2839506 0.2839506 0.2839506), wk = 0.0027778 k( 211) = ( 0.2901235 0.2901235 0.2901235), wk = 0.0027778 k( 212) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0027778 k( 213) = ( 0.3024691 0.3024691 0.3024691), wk = 0.0027778 k( 214) = ( 0.3086420 0.3086420 0.3086420), wk = 0.0027778 k( 215) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0027778 k( 216) = ( 0.3209877 0.3209876 0.3209876), wk = 0.0027778 k( 217) = ( 0.3271605 0.3271605 0.3271605), wk = 0.0027778 k( 218) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027778 k( 219) = ( 0.3395062 0.3395062 0.3395062), wk = 0.0027778 k( 220) = ( 0.3456790 0.3456790 0.3456790), wk = 0.0027778 k( 221) = ( 0.3518519 0.3518518 0.3518518), wk = 0.0027778 k( 222) = ( 0.3580247 0.3580247 0.3580247), wk = 0.0027778 k( 223) = ( 0.3641975 0.3641975 0.3641975), wk = 0.0027778 k( 224) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0027778 k( 225) = ( 0.3765432 0.3765432 0.3765432), wk = 0.0027778 k( 226) = ( 0.3827160 0.3827160 0.3827160), wk = 0.0027778 k( 227) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0027778 k( 228) = ( 0.3950617 0.3950617 0.3950617), wk = 0.0027778 k( 229) = ( 0.4012346 0.4012346 0.4012346), wk = 0.0027778 k( 230) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0027778 k( 231) = ( 0.4135802 0.4135802 0.4135802), wk = 0.0027778 k( 232) = ( 0.4197531 0.4197531 0.4197531), wk = 0.0027778 k( 233) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0027778 k( 234) = ( 0.4320988 0.4320988 0.4320988), wk = 0.0027778 k( 235) = ( 0.4382716 0.4382716 0.4382716), wk = 0.0027778 k( 236) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0027778 k( 237) = ( 0.4506173 0.4506173 0.4506173), wk = 0.0027778 k( 238) = ( 0.4567901 0.4567901 0.4567901), wk = 0.0027778 k( 239) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0027778 k( 240) = ( 0.4691358 0.4691358 0.4691358), wk = 0.0027778 k( 241) = ( 0.4753086 0.4753086 0.4753086), wk = 0.0027778 k( 242) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0027778 k( 243) = ( 0.4876543 0.4876543 0.4876543), wk = 0.0027778 k( 244) = ( 0.4938272 0.4938272 0.4938272), wk = 0.0027778 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 247) = ( 0.4924242 0.5000000 0.4924242), wk = 0.0027778 k( 248) = ( 0.4848485 0.5000000 0.4848485), wk = 0.0027778 k( 249) = ( 0.4772727 0.5000000 0.4772727), wk = 0.0027778 k( 250) = ( 0.4696970 0.5000000 0.4696970), wk = 0.0027778 k( 251) = ( 0.4621212 0.5000000 0.4621212), wk = 0.0027778 k( 252) = ( 0.4545455 0.5000000 0.4545454), wk = 0.0027778 k( 253) = ( 0.4469697 0.5000000 0.4469697), wk = 0.0027778 k( 254) = ( 0.4393939 0.5000000 0.4393939), wk = 0.0027778 k( 255) = ( 0.4318182 0.5000000 0.4318182), wk = 0.0027778 k( 256) = ( 0.4242424 0.5000000 0.4242424), wk = 0.0027778 k( 257) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0027778 k( 258) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0027778 k( 259) = ( 0.4015151 0.5000000 0.4015151), wk = 0.0027778 k( 260) = ( 0.3939394 0.5000000 0.3939394), wk = 0.0027778 k( 261) = ( 0.3863636 0.5000000 0.3863636), wk = 0.0027778 k( 262) = ( 0.3787879 0.5000000 0.3787879), wk = 0.0027778 k( 263) = ( 0.3712121 0.5000000 0.3712121), wk = 0.0027778 k( 264) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0027778 k( 265) = ( 0.3560606 0.5000000 0.3560606), wk = 0.0027778 k( 266) = ( 0.3484849 0.5000000 0.3484848), wk = 0.0027778 k( 267) = ( 0.3409091 0.5000000 0.3409091), wk = 0.0027778 k( 268) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0027778 k( 269) = ( 0.3257576 0.5000000 0.3257576), wk = 0.0027778 k( 270) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0027778 k( 271) = ( 0.3106061 0.5000000 0.3106061), wk = 0.0027778 k( 272) = ( 0.3030303 0.5000000 0.3030303), wk = 0.0027778 k( 273) = ( 0.2954545 0.5000000 0.2954545), wk = 0.0027778 k( 274) = ( 0.2878788 0.5000000 0.2878788), wk = 0.0027778 k( 275) = ( 0.2803030 0.5000000 0.2803030), wk = 0.0027778 k( 276) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0027778 k( 277) = ( 0.2651515 0.5000000 0.2651515), wk = 0.0027778 k( 278) = ( 0.2575758 0.5000000 0.2575758), wk = 0.0027778 k( 279) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0027778 k( 280) = ( 0.2424242 0.5000000 0.2424242), wk = 0.0027778 k( 281) = ( 0.2348485 0.5000000 0.2348485), wk = 0.0027778 k( 282) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0027778 k( 283) = ( 0.2196970 0.5000000 0.2196970), wk = 0.0027778 k( 284) = ( 0.2121212 0.5000000 0.2121212), wk = 0.0027778 k( 285) = ( 0.2045454 0.5000000 0.2045454), wk = 0.0027778 k( 286) = ( 0.1969697 0.5000000 0.1969697), wk = 0.0027778 k( 287) = ( 0.1893939 0.5000000 0.1893939), wk = 0.0027778 k( 288) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0027778 k( 289) = ( 0.1742424 0.5000000 0.1742424), wk = 0.0027778 k( 290) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0027778 k( 291) = ( 0.1590909 0.5000000 0.1590909), wk = 0.0027778 k( 292) = ( 0.1515151 0.5000000 0.1515151), wk = 0.0027778 k( 293) = ( 0.1439394 0.5000000 0.1439394), wk = 0.0027778 k( 294) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0027778 k( 295) = ( 0.1287879 0.5000000 0.1287879), wk = 0.0027778 k( 296) = ( 0.1212121 0.5000000 0.1212121), wk = 0.0027778 k( 297) = ( 0.1136364 0.5000000 0.1136364), wk = 0.0027778 k( 298) = ( 0.1060606 0.5000000 0.1060606), wk = 0.0027778 k( 299) = ( 0.0984848 0.5000000 0.0984848), wk = 0.0027778 k( 300) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0027778 k( 301) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0027778 k( 302) = ( 0.0757576 0.5000000 0.0757576), wk = 0.0027778 k( 303) = ( 0.0681818 0.5000000 0.0681818), wk = 0.0027778 k( 304) = ( 0.0606061 0.5000000 0.0606061), wk = 0.0027778 k( 305) = ( 0.0530303 0.5000000 0.0530303), wk = 0.0027778 k( 306) = ( 0.0454546 0.5000000 0.0454545), wk = 0.0027778 k( 307) = ( 0.0378788 0.5000000 0.0378788), wk = 0.0027778 k( 308) = ( 0.0303030 0.5000000 0.0303030), wk = 0.0027778 k( 309) = ( 0.0227273 0.5000000 0.0227273), wk = 0.0027778 k( 310) = ( 0.0151515 0.5000000 0.0151515), wk = 0.0027778 k( 311) = ( 0.0075758 0.5000000 0.0075758), wk = 0.0027778 k( 312) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 313) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027778 k( 314) = ( 0.5000000 0.5000000 0.0106383), wk = 0.0027778 k( 315) = ( 0.5000000 0.5000000 0.0212766), wk = 0.0027778 k( 316) = ( 0.5000000 0.5000000 0.0319149), wk = 0.0027778 k( 317) = ( 0.5000000 0.5000000 0.0425532), wk = 0.0027778 k( 318) = ( 0.5000000 0.5000000 0.0531915), wk = 0.0027778 k( 319) = ( 0.5000000 0.5000000 0.0638298), wk = 0.0027778 k( 320) = ( 0.5000000 0.5000000 0.0744681), wk = 0.0027778 k( 321) = ( 0.5000000 0.5000000 0.0851064), wk = 0.0027778 k( 322) = ( 0.5000000 0.5000000 0.0957447), wk = 0.0027778 k( 323) = ( 0.5000000 0.5000000 0.1063830), wk = 0.0027778 k( 324) = ( 0.5000000 0.5000000 0.1170213), wk = 0.0027778 k( 325) = ( 0.5000000 0.5000000 0.1276596), wk = 0.0027778 k( 326) = ( 0.5000000 0.5000000 0.1382979), wk = 0.0027778 k( 327) = ( 0.5000000 0.5000000 0.1489362), wk = 0.0027778 k( 328) = ( 0.5000000 0.5000000 0.1595745), wk = 0.0027778 k( 329) = ( 0.5000000 0.5000000 0.1702128), wk = 0.0027778 k( 330) = ( 0.5000000 0.5000000 0.1808511), wk = 0.0027778 k( 331) = ( 0.5000000 0.5000000 0.1914894), wk = 0.0027778 k( 332) = ( 0.5000000 0.5000000 0.2021277), wk = 0.0027778 k( 333) = ( 0.5000000 0.5000000 0.2127660), wk = 0.0027778 k( 334) = ( 0.5000000 0.5000000 0.2234043), wk = 0.0027778 k( 335) = ( 0.5000000 0.5000000 0.2340425), wk = 0.0027778 k( 336) = ( 0.5000000 0.5000000 0.2446808), wk = 0.0027778 k( 337) = ( 0.5000000 0.5000000 0.2553191), wk = 0.0027778 k( 338) = ( 0.5000000 0.5000000 0.2659574), wk = 0.0027778 k( 339) = ( 0.5000000 0.5000000 0.2765957), wk = 0.0027778 k( 340) = ( 0.5000000 0.5000000 0.2872340), wk = 0.0027778 k( 341) = ( 0.5000000 0.5000000 0.2978723), wk = 0.0027778 k( 342) = ( 0.5000000 0.5000000 0.3085106), wk = 0.0027778 k( 343) = ( 0.5000000 0.5000000 0.3191489), wk = 0.0027778 k( 344) = ( 0.5000000 0.5000000 0.3297872), wk = 0.0027778 k( 345) = ( 0.5000000 0.5000000 0.3404255), wk = 0.0027778 k( 346) = ( 0.5000000 0.5000000 0.3510638), wk = 0.0027778 k( 347) = ( 0.5000000 0.5000000 0.3617021), wk = 0.0027778 k( 348) = ( 0.5000000 0.5000000 0.3723404), wk = 0.0027778 k( 349) = ( 0.5000000 0.5000000 0.3829787), wk = 0.0027778 k( 350) = ( 0.5000000 0.5000000 0.3936170), wk = 0.0027778 k( 351) = ( 0.5000000 0.5000000 0.4042553), wk = 0.0027778 k( 352) = ( 0.5000000 0.5000000 0.4148936), wk = 0.0027778 k( 353) = ( 0.5000000 0.5000000 0.4255319), wk = 0.0027778 k( 354) = ( 0.5000000 0.5000000 0.4361702), wk = 0.0027778 k( 355) = ( 0.5000000 0.5000000 0.4468085), wk = 0.0027778 k( 356) = ( 0.5000000 0.5000000 0.4574468), wk = 0.0027778 k( 357) = ( 0.5000000 0.5000000 0.4680851), wk = 0.0027778 k( 358) = ( 0.5000000 0.5000000 0.4787234), wk = 0.0027778 k( 359) = ( 0.5000000 0.5000000 0.4893617), wk = 0.0027778 k( 360) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0000000 0.0106383 0.0000000), wk = 0.0027778 k( 3) = ( 0.0000000 0.0212766 0.0000000), wk = 0.0027778 k( 4) = ( 0.0000000 0.0319149 0.0000000), wk = 0.0027778 k( 5) = ( 0.0000000 0.0425532 0.0000000), wk = 0.0027778 k( 6) = ( 0.0000000 0.0531915 0.0000000), wk = 0.0027778 k( 7) = ( 0.0000000 0.0638298 0.0000000), wk = 0.0027778 k( 8) = ( 0.0000000 0.0744681 0.0000000), wk = 0.0027778 k( 9) = ( 0.0000000 0.0851064 0.0000000), wk = 0.0027778 k( 10) = ( 0.0000000 0.0957447 0.0000000), wk = 0.0027778 k( 11) = ( 0.0000000 0.1063830 0.0000000), wk = 0.0027778 k( 12) = ( 0.0000000 0.1170213 0.0000000), wk = 0.0027778 k( 13) = ( 0.0000000 0.1276596 0.0000000), wk = 0.0027778 k( 14) = ( 0.0000000 0.1382979 0.0000000), wk = 0.0027778 k( 15) = ( 0.0000000 0.1489362 0.0000000), wk = 0.0027778 k( 16) = ( 0.0000000 0.1595745 0.0000000), wk = 0.0027778 k( 17) = ( 0.0000000 0.1702128 0.0000000), wk = 0.0027778 k( 18) = ( 0.0000000 0.1808511 0.0000000), wk = 0.0027778 k( 19) = ( 0.0000000 0.1914894 0.0000000), wk = 0.0027778 k( 20) = ( 0.0000000 0.2021277 0.0000000), wk = 0.0027778 k( 21) = ( 0.0000000 0.2127660 0.0000000), wk = 0.0027778 k( 22) = ( 0.0000000 0.2234043 0.0000000), wk = 0.0027778 k( 23) = ( 0.0000000 0.2340425 0.0000000), wk = 0.0027778 k( 24) = ( 0.0000000 0.2446809 0.0000000), wk = 0.0027778 k( 25) = ( 0.0000000 0.2553191 0.0000000), wk = 0.0027778 k( 26) = ( 0.0000000 0.2659574 0.0000000), wk = 0.0027778 k( 27) = ( 0.0000000 0.2765957 0.0000000), wk = 0.0027778 k( 28) = ( 0.0000000 0.2872340 0.0000000), wk = 0.0027778 k( 29) = ( 0.0000000 0.2978723 0.0000000), wk = 0.0027778 k( 30) = ( 0.0000000 0.3085106 0.0000000), wk = 0.0027778 k( 31) = ( 0.0000000 0.3191489 0.0000000), wk = 0.0027778 k( 32) = ( 0.0000000 0.3297872 0.0000000), wk = 0.0027778 k( 33) = ( 0.0000000 0.3404255 0.0000000), wk = 0.0027778 k( 34) = ( 0.0000000 0.3510638 0.0000000), wk = 0.0027778 k( 35) = ( 0.0000000 0.3617021 0.0000000), wk = 0.0027778 k( 36) = ( 0.0000000 0.3723404 0.0000000), wk = 0.0027778 k( 37) = ( 0.0000000 0.3829787 0.0000000), wk = 0.0027778 k( 38) = ( 0.0000000 0.3936170 0.0000000), wk = 0.0027778 k( 39) = ( 0.0000000 0.4042553 0.0000000), wk = 0.0027778 k( 40) = ( 0.0000000 0.4148936 0.0000000), wk = 0.0027778 k( 41) = ( 0.0000000 0.4255319 0.0000000), wk = 0.0027778 k( 42) = ( 0.0000000 0.4361702 0.0000000), wk = 0.0027778 k( 43) = ( 0.0000000 0.4468085 0.0000000), wk = 0.0027778 k( 44) = ( 0.0000000 0.4574468 0.0000000), wk = 0.0027778 k( 45) = ( 0.0000000 0.4680851 0.0000000), wk = 0.0027778 k( 46) = ( 0.0000000 0.4787234 0.0000000), wk = 0.0027778 k( 47) = ( 0.0000000 0.4893617 0.0000000), wk = 0.0027778 k( 48) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 49) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 50) = ( 0.0106383 0.5000000 0.0000000), wk = 0.0027778 k( 51) = ( 0.0212766 0.5000000 0.0000000), wk = 0.0027778 k( 52) = ( 0.0319149 0.5000000 0.0000000), wk = 0.0027778 k( 53) = ( 0.0425532 0.5000000 0.0000000), wk = 0.0027778 k( 54) = ( 0.0531915 0.5000000 0.0000000), wk = 0.0027778 k( 55) = ( 0.0638298 0.5000000 0.0000000), wk = 0.0027778 k( 56) = ( 0.0744681 0.5000000 0.0000000), wk = 0.0027778 k( 57) = ( 0.0851064 0.5000000 0.0000000), wk = 0.0027778 k( 58) = ( 0.0957447 0.5000000 0.0000000), wk = 0.0027778 k( 59) = ( 0.1063830 0.5000000 0.0000000), wk = 0.0027778 k( 60) = ( 0.1170213 0.5000000 0.0000000), wk = 0.0027778 k( 61) = ( 0.1276596 0.5000000 0.0000000), wk = 0.0027778 k( 62) = ( 0.1382979 0.5000000 0.0000000), wk = 0.0027778 k( 63) = ( 0.1489362 0.5000000 0.0000000), wk = 0.0027778 k( 64) = ( 0.1595745 0.5000000 0.0000000), wk = 0.0027778 k( 65) = ( 0.1702128 0.5000000 0.0000000), wk = 0.0027778 k( 66) = ( 0.1808511 0.5000000 0.0000000), wk = 0.0027778 k( 67) = ( 0.1914894 0.5000000 0.0000000), wk = 0.0027778 k( 68) = ( 0.2021277 0.5000000 0.0000000), wk = 0.0027778 k( 69) = ( 0.2127660 0.5000000 0.0000000), wk = 0.0027778 k( 70) = ( 0.2234043 0.5000000 0.0000000), wk = 0.0027778 k( 71) = ( 0.2340425 0.5000000 0.0000000), wk = 0.0027778 k( 72) = ( 0.2446809 0.5000000 0.0000000), wk = 0.0027778 k( 73) = ( 0.2553191 0.5000000 0.0000000), wk = 0.0027778 k( 74) = ( 0.2659574 0.5000000 0.0000000), wk = 0.0027778 k( 75) = ( 0.2765957 0.5000000 0.0000000), wk = 0.0027778 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0027778 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3085106 0.5000000 0.0000000), wk = 0.0027778 k( 79) = ( 0.3191489 0.5000000 0.0000000), wk = 0.0027778 k( 80) = ( 0.3297872 0.5000000 0.0000000), wk = 0.0027778 k( 81) = ( 0.3404255 0.5000000 0.0000000), wk = 0.0027778 k( 82) = ( 0.3510638 0.5000000 0.0000000), wk = 0.0027778 k( 83) = ( 0.3617021 0.5000000 0.0000000), wk = 0.0027778 k( 84) = ( 0.3723404 0.5000000 0.0000000), wk = 0.0027778 k( 85) = ( 0.3829787 0.5000000 0.0000000), wk = 0.0027778 k( 86) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0027778 k( 87) = ( 0.4042553 0.5000000 0.0000000), wk = 0.0027778 k( 88) = ( 0.4148936 0.5000000 0.0000000), wk = 0.0027778 k( 89) = ( 0.4255319 0.5000000 0.0000000), wk = 0.0027778 k( 90) = ( 0.4361702 0.5000000 0.0000000), wk = 0.0027778 k( 91) = ( 0.4468085 0.5000000 0.0000000), wk = 0.0027778 k( 92) = ( 0.4574468 0.5000000 0.0000000), wk = 0.0027778 k( 93) = ( 0.4680851 0.5000000 0.0000000), wk = 0.0027778 k( 94) = ( 0.4787234 0.5000000 0.0000000), wk = 0.0027778 k( 95) = ( 0.4893617 0.5000000 0.0000000), wk = 0.0027778 k( 96) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 97) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 98) = ( 0.4924242 0.4924242 0.0000000), wk = 0.0027778 k( 99) = ( 0.4848485 0.4848485 0.0000000), wk = 0.0027778 k( 100) = ( 0.4772727 0.4772727 0.0000000), wk = 0.0027778 k( 101) = ( 0.4696970 0.4696970 0.0000000), wk = 0.0027778 k( 102) = ( 0.4621212 0.4621212 0.0000000), wk = 0.0027778 k( 103) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0027778 k( 104) = ( 0.4469697 0.4469697 0.0000000), wk = 0.0027778 k( 105) = ( 0.4393939 0.4393939 0.0000000), wk = 0.0027778 k( 106) = ( 0.4318182 0.4318182 0.0000000), wk = 0.0027778 k( 107) = ( 0.4242424 0.4242424 0.0000000), wk = 0.0027778 k( 108) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0027778 k( 109) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0027778 k( 110) = ( 0.4015151 0.4015151 0.0000000), wk = 0.0027778 k( 111) = ( 0.3939394 0.3939394 0.0000000), wk = 0.0027778 k( 112) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0027778 k( 113) = ( 0.3787879 0.3787879 0.0000000), wk = 0.0027778 k( 114) = ( 0.3712121 0.3712121 0.0000000), wk = 0.0027778 k( 115) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0027778 k( 116) = ( 0.3560606 0.3560606 0.0000000), wk = 0.0027778 k( 117) = ( 0.3484849 0.3484849 0.0000000), wk = 0.0027778 k( 118) = ( 0.3409091 0.3409091 0.0000000), wk = 0.0027778 k( 119) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027778 k( 120) = ( 0.3257576 0.3257576 0.0000000), wk = 0.0027778 k( 121) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0027778 k( 122) = ( 0.3106061 0.3106061 0.0000000), wk = 0.0027778 k( 123) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0027778 k( 124) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0027778 k( 125) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0027778 k( 126) = ( 0.2803030 0.2803030 0.0000000), wk = 0.0027778 k( 127) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0027778 k( 128) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0027778 k( 129) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0027778 k( 130) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0027778 k( 131) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0027778 k( 132) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0027778 k( 133) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0027778 k( 134) = ( 0.2196970 0.2196970 0.0000000), wk = 0.0027778 k( 135) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0027778 k( 136) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0027778 k( 137) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0027778 k( 138) = ( 0.1893939 0.1893939 0.0000000), wk = 0.0027778 k( 139) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0027778 k( 140) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0027778 k( 141) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027778 k( 142) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0027778 k( 143) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0027778 k( 144) = ( 0.1439394 0.1439394 0.0000000), wk = 0.0027778 k( 145) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0027778 k( 146) = ( 0.1287879 0.1287879 0.0000000), wk = 0.0027778 k( 147) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0027778 k( 148) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0027778 k( 149) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0027778 k( 150) = ( 0.0984848 0.0984848 0.0000000), wk = 0.0027778 k( 151) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0027778 k( 152) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0027778 k( 153) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0027778 k( 154) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0027778 k( 155) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0027778 k( 156) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0027778 k( 157) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0027778 k( 158) = ( 0.0378788 0.0378788 0.0000000), wk = 0.0027778 k( 159) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0027778 k( 160) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0027778 k( 161) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0027778 k( 162) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0027778 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 165) = ( 0.0061728 0.0061728 0.0061728), wk = 0.0027778 k( 166) = ( 0.0123457 0.0123457 0.0123457), wk = 0.0027778 k( 167) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0027778 k( 168) = ( 0.0246914 0.0246914 0.0246914), wk = 0.0027778 k( 169) = ( 0.0308642 0.0308642 0.0308642), wk = 0.0027778 k( 170) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0027778 k( 171) = ( 0.0432099 0.0432099 0.0432099), wk = 0.0027778 k( 172) = ( 0.0493827 0.0493827 0.0493827), wk = 0.0027778 k( 173) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0027778 k( 174) = ( 0.0617284 0.0617284 0.0617284), wk = 0.0027778 k( 175) = ( 0.0679012 0.0679012 0.0679012), wk = 0.0027778 k( 176) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0027778 k( 177) = ( 0.0802469 0.0802469 0.0802469), wk = 0.0027778 k( 178) = ( 0.0864198 0.0864198 0.0864198), wk = 0.0027778 k( 179) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0027778 k( 180) = ( 0.0987654 0.0987654 0.0987654), wk = 0.0027778 k( 181) = ( 0.1049383 0.1049383 0.1049383), wk = 0.0027778 k( 182) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0027778 k( 183) = ( 0.1172839 0.1172839 0.1172839), wk = 0.0027778 k( 184) = ( 0.1234568 0.1234568 0.1234568), wk = 0.0027778 k( 185) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0027778 k( 186) = ( 0.1358025 0.1358025 0.1358025), wk = 0.0027778 k( 187) = ( 0.1419753 0.1419753 0.1419753), wk = 0.0027778 k( 188) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0027778 k( 189) = ( 0.1543210 0.1543210 0.1543210), wk = 0.0027778 k( 190) = ( 0.1604938 0.1604938 0.1604938), wk = 0.0027778 k( 191) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027778 k( 192) = ( 0.1728395 0.1728395 0.1728395), wk = 0.0027778 k( 193) = ( 0.1790123 0.1790123 0.1790123), wk = 0.0027778 k( 194) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0027778 k( 195) = ( 0.1913580 0.1913580 0.1913580), wk = 0.0027778 k( 196) = ( 0.1975309 0.1975309 0.1975309), wk = 0.0027778 k( 197) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0027778 k( 198) = ( 0.2098765 0.2098765 0.2098765), wk = 0.0027778 k( 199) = ( 0.2160494 0.2160494 0.2160494), wk = 0.0027778 k( 200) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0027778 k( 201) = ( 0.2283951 0.2283951 0.2283951), wk = 0.0027778 k( 202) = ( 0.2345679 0.2345679 0.2345679), wk = 0.0027778 k( 203) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0027778 k( 204) = ( 0.2469136 0.2469136 0.2469136), wk = 0.0027778 k( 205) = ( 0.2530864 0.2530864 0.2530864), wk = 0.0027778 k( 206) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0027778 k( 207) = ( 0.2654321 0.2654321 0.2654321), wk = 0.0027778 k( 208) = ( 0.2716049 0.2716049 0.2716049), wk = 0.0027778 k( 209) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0027778 k( 210) = ( 0.2839506 0.2839506 0.2839506), wk = 0.0027778 k( 211) = ( 0.2901235 0.2901235 0.2901235), wk = 0.0027778 k( 212) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0027778 k( 213) = ( 0.3024691 0.3024691 0.3024691), wk = 0.0027778 k( 214) = ( 0.3086420 0.3086420 0.3086420), wk = 0.0027778 k( 215) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0027778 k( 216) = ( 0.3209877 0.3209877 0.3209877), wk = 0.0027778 k( 217) = ( 0.3271605 0.3271605 0.3271605), wk = 0.0027778 k( 218) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027778 k( 219) = ( 0.3395062 0.3395062 0.3395062), wk = 0.0027778 k( 220) = ( 0.3456790 0.3456790 0.3456790), wk = 0.0027778 k( 221) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0027778 k( 222) = ( 0.3580247 0.3580247 0.3580247), wk = 0.0027778 k( 223) = ( 0.3641975 0.3641975 0.3641975), wk = 0.0027778 k( 224) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0027778 k( 225) = ( 0.3765432 0.3765432 0.3765432), wk = 0.0027778 k( 226) = ( 0.3827160 0.3827160 0.3827160), wk = 0.0027778 k( 227) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0027778 k( 228) = ( 0.3950617 0.3950617 0.3950617), wk = 0.0027778 k( 229) = ( 0.4012346 0.4012346 0.4012346), wk = 0.0027778 k( 230) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0027778 k( 231) = ( 0.4135802 0.4135802 0.4135802), wk = 0.0027778 k( 232) = ( 0.4197531 0.4197531 0.4197531), wk = 0.0027778 k( 233) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0027778 k( 234) = ( 0.4320988 0.4320988 0.4320988), wk = 0.0027778 k( 235) = ( 0.4382716 0.4382716 0.4382716), wk = 0.0027778 k( 236) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0027778 k( 237) = ( 0.4506173 0.4506173 0.4506173), wk = 0.0027778 k( 238) = ( 0.4567901 0.4567901 0.4567901), wk = 0.0027778 k( 239) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0027778 k( 240) = ( 0.4691358 0.4691358 0.4691358), wk = 0.0027778 k( 241) = ( 0.4753086 0.4753086 0.4753086), wk = 0.0027778 k( 242) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0027778 k( 243) = ( 0.4876543 0.4876543 0.4876543), wk = 0.0027778 k( 244) = ( 0.4938272 0.4938272 0.4938272), wk = 0.0027778 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 247) = ( 0.4924242 0.5000000 0.4924242), wk = 0.0027778 k( 248) = ( 0.4848485 0.5000000 0.4848485), wk = 0.0027778 k( 249) = ( 0.4772727 0.5000000 0.4772727), wk = 0.0027778 k( 250) = ( 0.4696970 0.5000000 0.4696970), wk = 0.0027778 k( 251) = ( 0.4621212 0.5000000 0.4621212), wk = 0.0027778 k( 252) = ( 0.4545455 0.5000000 0.4545455), wk = 0.0027778 k( 253) = ( 0.4469697 0.5000000 0.4469697), wk = 0.0027778 k( 254) = ( 0.4393939 0.5000000 0.4393939), wk = 0.0027778 k( 255) = ( 0.4318182 0.5000000 0.4318182), wk = 0.0027778 k( 256) = ( 0.4242424 0.5000000 0.4242424), wk = 0.0027778 k( 257) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0027778 k( 258) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0027778 k( 259) = ( 0.4015151 0.5000000 0.4015151), wk = 0.0027778 k( 260) = ( 0.3939394 0.5000000 0.3939394), wk = 0.0027778 k( 261) = ( 0.3863636 0.5000000 0.3863636), wk = 0.0027778 k( 262) = ( 0.3787879 0.5000000 0.3787879), wk = 0.0027778 k( 263) = ( 0.3712121 0.5000000 0.3712121), wk = 0.0027778 k( 264) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0027778 k( 265) = ( 0.3560606 0.5000000 0.3560606), wk = 0.0027778 k( 266) = ( 0.3484849 0.5000000 0.3484849), wk = 0.0027778 k( 267) = ( 0.3409091 0.5000000 0.3409091), wk = 0.0027778 k( 268) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0027778 k( 269) = ( 0.3257576 0.5000000 0.3257576), wk = 0.0027778 k( 270) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0027778 k( 271) = ( 0.3106061 0.5000000 0.3106061), wk = 0.0027778 k( 272) = ( 0.3030303 0.5000000 0.3030303), wk = 0.0027778 k( 273) = ( 0.2954545 0.5000000 0.2954545), wk = 0.0027778 k( 274) = ( 0.2878788 0.5000000 0.2878788), wk = 0.0027778 k( 275) = ( 0.2803030 0.5000000 0.2803030), wk = 0.0027778 k( 276) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0027778 k( 277) = ( 0.2651515 0.5000000 0.2651515), wk = 0.0027778 k( 278) = ( 0.2575758 0.5000000 0.2575758), wk = 0.0027778 k( 279) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0027778 k( 280) = ( 0.2424242 0.5000000 0.2424242), wk = 0.0027778 k( 281) = ( 0.2348485 0.5000000 0.2348485), wk = 0.0027778 k( 282) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0027778 k( 283) = ( 0.2196970 0.5000000 0.2196970), wk = 0.0027778 k( 284) = ( 0.2121212 0.5000000 0.2121212), wk = 0.0027778 k( 285) = ( 0.2045454 0.5000000 0.2045454), wk = 0.0027778 k( 286) = ( 0.1969697 0.5000000 0.1969697), wk = 0.0027778 k( 287) = ( 0.1893939 0.5000000 0.1893939), wk = 0.0027778 k( 288) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0027778 k( 289) = ( 0.1742424 0.5000000 0.1742424), wk = 0.0027778 k( 290) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0027778 k( 291) = ( 0.1590909 0.5000000 0.1590909), wk = 0.0027778 k( 292) = ( 0.1515151 0.5000000 0.1515151), wk = 0.0027778 k( 293) = ( 0.1439394 0.5000000 0.1439394), wk = 0.0027778 k( 294) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0027778 k( 295) = ( 0.1287879 0.5000000 0.1287879), wk = 0.0027778 k( 296) = ( 0.1212121 0.5000000 0.1212121), wk = 0.0027778 k( 297) = ( 0.1136364 0.5000000 0.1136364), wk = 0.0027778 k( 298) = ( 0.1060606 0.5000000 0.1060606), wk = 0.0027778 k( 299) = ( 0.0984848 0.5000000 0.0984848), wk = 0.0027778 k( 300) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0027778 k( 301) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0027778 k( 302) = ( 0.0757576 0.5000000 0.0757576), wk = 0.0027778 k( 303) = ( 0.0681818 0.5000000 0.0681818), wk = 0.0027778 k( 304) = ( 0.0606061 0.5000000 0.0606061), wk = 0.0027778 k( 305) = ( 0.0530303 0.5000000 0.0530303), wk = 0.0027778 k( 306) = ( 0.0454546 0.5000000 0.0454546), wk = 0.0027778 k( 307) = ( 0.0378788 0.5000000 0.0378788), wk = 0.0027778 k( 308) = ( 0.0303030 0.5000000 0.0303030), wk = 0.0027778 k( 309) = ( 0.0227273 0.5000000 0.0227273), wk = 0.0027778 k( 310) = ( 0.0151515 0.5000000 0.0151515), wk = 0.0027778 k( 311) = ( 0.0075758 0.5000000 0.0075758), wk = 0.0027778 k( 312) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027778 k( 313) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 314) = ( 0.5000000 0.5000000 0.0106383), wk = 0.0027778 k( 315) = ( 0.5000000 0.5000000 0.0212766), wk = 0.0027778 k( 316) = ( 0.5000000 0.5000000 0.0319149), wk = 0.0027778 k( 317) = ( 0.5000000 0.5000000 0.0425532), wk = 0.0027778 k( 318) = ( 0.5000000 0.5000000 0.0531915), wk = 0.0027778 k( 319) = ( 0.5000000 0.5000000 0.0638298), wk = 0.0027778 k( 320) = ( 0.5000000 0.5000000 0.0744681), wk = 0.0027778 k( 321) = ( 0.5000000 0.5000000 0.0851064), wk = 0.0027778 k( 322) = ( 0.5000000 0.5000000 0.0957447), wk = 0.0027778 k( 323) = ( 0.5000000 0.5000000 0.1063830), wk = 0.0027778 k( 324) = ( 0.5000000 0.5000000 0.1170213), wk = 0.0027778 k( 325) = ( 0.5000000 0.5000000 0.1276596), wk = 0.0027778 k( 326) = ( 0.5000000 0.5000000 0.1382979), wk = 0.0027778 k( 327) = ( 0.5000000 0.5000000 0.1489362), wk = 0.0027778 k( 328) = ( 0.5000000 0.5000000 0.1595745), wk = 0.0027778 k( 329) = ( 0.5000000 0.5000000 0.1702128), wk = 0.0027778 k( 330) = ( 0.5000000 0.5000000 0.1808511), wk = 0.0027778 k( 331) = ( 0.5000000 0.5000000 0.1914894), wk = 0.0027778 k( 332) = ( 0.5000000 0.5000000 0.2021277), wk = 0.0027778 k( 333) = ( 0.5000000 0.5000000 0.2127660), wk = 0.0027778 k( 334) = ( 0.5000000 0.5000000 0.2234043), wk = 0.0027778 k( 335) = ( 0.5000000 0.5000000 0.2340425), wk = 0.0027778 k( 336) = ( 0.5000000 0.5000000 0.2446809), wk = 0.0027778 k( 337) = ( 0.5000000 0.5000000 0.2553191), wk = 0.0027778 k( 338) = ( 0.5000000 0.5000000 0.2659574), wk = 0.0027778 k( 339) = ( 0.5000000 0.5000000 0.2765957), wk = 0.0027778 k( 340) = ( 0.5000000 0.5000000 0.2872340), wk = 0.0027778 k( 341) = ( 0.5000000 0.5000000 0.2978723), wk = 0.0027778 k( 342) = ( 0.5000000 0.5000000 0.3085106), wk = 0.0027778 k( 343) = ( 0.5000000 0.5000000 0.3191489), wk = 0.0027778 k( 344) = ( 0.5000000 0.5000000 0.3297872), wk = 0.0027778 k( 345) = ( 0.5000000 0.5000000 0.3404255), wk = 0.0027778 k( 346) = ( 0.5000000 0.5000000 0.3510638), wk = 0.0027778 k( 347) = ( 0.5000000 0.5000000 0.3617021), wk = 0.0027778 k( 348) = ( 0.5000000 0.5000000 0.3723404), wk = 0.0027778 k( 349) = ( 0.5000000 0.5000000 0.3829787), wk = 0.0027778 k( 350) = ( 0.5000000 0.5000000 0.3936170), wk = 0.0027778 k( 351) = ( 0.5000000 0.5000000 0.4042553), wk = 0.0027778 k( 352) = ( 0.5000000 0.5000000 0.4148936), wk = 0.0027778 k( 353) = ( 0.5000000 0.5000000 0.4255319), wk = 0.0027778 k( 354) = ( 0.5000000 0.5000000 0.4361702), wk = 0.0027778 k( 355) = ( 0.5000000 0.5000000 0.4468085), wk = 0.0027778 k( 356) = ( 0.5000000 0.5000000 0.4574468), wk = 0.0027778 k( 357) = ( 0.5000000 0.5000000 0.4680851), wk = 0.0027778 k( 358) = ( 0.5000000 0.5000000 0.4787234), wk = 0.0027778 k( 359) = ( 0.5000000 0.5000000 0.4893617), wk = 0.0027778 k( 360) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 Dense grid: 13517 G-vectors FFT dimensions: ( 30, 30, 30) Smooth grid: 11363 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 96, 28) NL pseudopotentials 0.04 Mb ( 48, 48) Each V/rho on FFT grid 0.01 Mb ( 900) Each G-vector array 0.00 Mb ( 377) G-vector shells 0.00 Mb ( 124) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.16 Mb ( 96, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.04 Mb ( 48, 2, 28) The potential is recalculated from file : ./PbSe.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.5 secs Computing kpt #: 10 total cpu time spent up to now is 2.6 secs Computing kpt #: 11 total cpu time spent up to now is 2.7 secs Computing kpt #: 12 total cpu time spent up to now is 2.8 secs Computing kpt #: 13 total cpu time spent up to now is 2.9 secs Computing kpt #: 14 total cpu time spent up to now is 3.0 secs Computing kpt #: 15 total cpu time spent up to now is 3.1 secs Computing kpt #: 16 total cpu time spent up to now is 3.2 secs Computing kpt #: 17 total cpu time spent up to now is 3.3 secs Computing kpt #: 18 total cpu time spent up to now is 3.4 secs Computing kpt #: 19 total cpu time spent up to now is 3.5 secs Computing kpt #: 20 total cpu time spent up to now is 3.6 secs Computing kpt #: 21 total cpu time spent up to now is 3.7 secs Computing kpt #: 22 total cpu time spent up to now is 3.7 secs Computing kpt #: 23 total cpu time spent up to now is 3.8 secs Computing kpt #: 24 total cpu time spent up to now is 3.9 secs Computing kpt #: 25 total cpu time spent up to now is 4.0 secs Computing kpt #: 26 total cpu time spent up to now is 4.1 secs Computing kpt #: 27 total cpu time spent up to now is 4.2 secs Computing kpt #: 28 total cpu time spent up to now is 4.2 secs Computing kpt #: 29 total cpu time spent up to now is 4.3 secs Computing kpt #: 30 total cpu time spent up to now is 4.4 secs Computing kpt #: 31 total cpu time spent up to now is 4.5 secs Computing kpt #: 32 total cpu time spent up to now is 4.6 secs Computing kpt #: 33 total cpu time spent up to now is 4.7 secs Computing kpt #: 34 total cpu time spent up to now is 4.8 secs Computing kpt #: 35 total cpu time spent up to now is 4.8 secs Computing kpt #: 36 total cpu time spent up to now is 4.9 secs Computing kpt #: 37 total cpu time spent up to now is 5.0 secs Computing kpt #: 38 total cpu time spent up to now is 5.1 secs Computing kpt #: 39 total cpu time spent up to now is 5.2 secs Computing kpt #: 40 total cpu time spent up to now is 5.3 secs Computing kpt #: 41 total cpu time spent up to now is 5.4 secs Computing kpt #: 42 total cpu time spent up to now is 5.5 secs Computing kpt #: 43 total cpu time spent up to now is 5.5 secs Computing kpt #: 44 total cpu time spent up to now is 5.6 secs Computing kpt #: 45 total cpu time spent up to now is 5.7 secs Computing kpt #: 46 total cpu time spent up to now is 5.8 secs Computing kpt #: 47 total cpu time spent up to now is 5.9 secs Computing kpt #: 48 total cpu time spent up to now is 6.0 secs Computing kpt #: 49 total cpu time spent up to now is 6.1 secs Computing kpt #: 50 total cpu time spent up to now is 6.2 secs Computing kpt #: 51 total cpu time spent up to now is 6.3 secs Computing kpt #: 52 total cpu time spent up to now is 6.4 secs Computing kpt #: 53 total cpu time spent up to now is 6.5 secs Computing kpt #: 54 total cpu time spent up to now is 6.6 secs Computing kpt #: 55 total cpu time spent up to now is 6.8 secs Computing kpt #: 56 total cpu time spent up to now is 6.9 secs Computing kpt #: 57 total cpu time spent up to now is 7.0 secs Computing kpt #: 58 total cpu time spent up to now is 7.1 secs Computing kpt #: 59 total cpu time spent up to now is 7.2 secs Computing kpt #: 60 total cpu time spent up to now is 7.3 secs Computing kpt #: 61 total cpu time spent up to now is 7.4 secs Computing kpt #: 62 total cpu time spent up to now is 7.5 secs Computing kpt #: 63 total cpu time spent up to now is 7.5 secs Computing kpt #: 64 total cpu time spent up to now is 7.6 secs Computing kpt #: 65 total cpu time spent up to now is 7.7 secs Computing kpt #: 66 total cpu time spent up to now is 7.8 secs Computing kpt #: 67 total cpu time spent up to now is 7.9 secs Computing kpt #: 68 total cpu time spent up to now is 8.0 secs Computing kpt #: 69 total cpu time spent up to now is 8.1 secs Computing kpt #: 70 total cpu time spent up to now is 8.1 secs Computing kpt #: 71 total cpu time spent up to now is 8.2 secs Computing kpt #: 72 total cpu time spent up to now is 8.3 secs Computing kpt #: 73 total cpu time spent up to now is 8.4 secs Computing kpt #: 74 total cpu time spent up to now is 8.5 secs Computing kpt #: 75 total cpu time spent up to now is 8.6 secs Computing kpt #: 76 total cpu time spent up to now is 8.7 secs Computing kpt #: 77 total cpu time spent up to now is 8.8 secs Computing kpt #: 78 total cpu time spent up to now is 8.9 secs Computing kpt #: 79 total cpu time spent up to now is 8.9 secs Computing kpt #: 80 total cpu time spent up to now is 9.0 secs Computing kpt #: 81 total cpu time spent up to now is 9.1 secs Computing kpt #: 82 total cpu time spent up to now is 9.2 secs Computing kpt #: 83 total cpu time spent up to now is 9.3 secs Computing kpt #: 84 total cpu time spent up to now is 9.4 secs Computing kpt #: 85 total cpu time spent up to now is 9.5 secs Computing kpt #: 86 total cpu time spent up to now is 9.6 secs Computing kpt #: 87 total cpu time spent up to now is 9.7 secs Computing kpt #: 88 total cpu time spent up to now is 9.7 secs Computing kpt #: 89 total cpu time spent up to now is 9.8 secs Computing kpt #: 90 total cpu time spent up to now is 9.9 secs Computing kpt #: 91 total cpu time spent up to now is 10.0 secs Computing kpt #: 92 total cpu time spent up to now is 10.1 secs Computing kpt #: 93 total cpu time spent up to now is 10.2 secs Computing kpt #: 94 total cpu time spent up to now is 10.3 secs Computing kpt #: 95 total cpu time spent up to now is 10.4 secs Computing kpt #: 96 total cpu time spent up to now is 10.4 secs Computing kpt #: 97 total cpu time spent up to now is 10.5 secs Computing kpt #: 98 total cpu time spent up to now is 10.6 secs Computing kpt #: 99 total cpu time spent up to now is 10.7 secs Computing kpt #: 100 total cpu time spent up to now is 10.8 secs Computing kpt #: 101 total cpu time spent up to now is 10.9 secs Computing kpt #: 102 total cpu time spent up to now is 11.0 secs Computing kpt #: 103 total cpu time spent up to now is 11.1 secs Computing kpt #: 104 total cpu time spent up to now is 11.1 secs Computing kpt #: 105 total cpu time spent up to now is 11.2 secs Computing kpt #: 106 total cpu time spent up to now is 11.3 secs Computing kpt #: 107 total cpu time spent up to now is 11.4 secs Computing kpt #: 108 total cpu time spent up to now is 11.5 secs Computing kpt #: 109 total cpu time spent up to now is 11.6 secs Computing kpt #: 110 total cpu time spent up to now is 11.7 secs Computing kpt #: 111 total cpu time spent up to now is 11.8 secs Computing kpt #: 112 total cpu time spent up to now is 11.9 secs Computing kpt #: 113 total cpu time spent up to now is 12.0 secs Computing kpt #: 114 total cpu time spent up to now is 12.0 secs Computing kpt #: 115 total cpu time spent up to now is 12.1 secs Computing kpt #: 116 total cpu time spent up to now is 12.2 secs Computing kpt #: 117 total cpu time spent up to now is 12.3 secs Computing kpt #: 118 total cpu time spent up to now is 12.4 secs Computing kpt #: 119 total cpu time spent up to now is 12.5 secs Computing kpt #: 120 total cpu time spent up to now is 12.6 secs Computing kpt #: 121 total cpu time spent up to now is 12.7 secs Computing kpt #: 122 total cpu time spent up to now is 12.7 secs Computing kpt #: 123 total cpu time spent up to now is 12.8 secs Computing kpt #: 124 total cpu time spent up to now is 12.9 secs Computing kpt #: 125 total cpu time spent up to now is 13.0 secs Computing kpt #: 126 total cpu time spent up to now is 13.1 secs Computing kpt #: 127 total cpu time spent up to now is 13.2 secs Computing kpt #: 128 total cpu time spent up to now is 13.3 secs Computing kpt #: 129 total cpu time spent up to now is 13.4 secs Computing kpt #: 130 total cpu time spent up to now is 13.4 secs Computing kpt #: 131 total cpu time spent up to now is 13.5 secs Computing kpt #: 132 total cpu time spent up to now is 13.6 secs Computing kpt #: 133 total cpu time spent up to now is 13.7 secs Computing kpt #: 134 total cpu time spent up to now is 13.8 secs Computing kpt #: 135 total cpu time spent up to now is 13.8 secs Computing kpt #: 136 total cpu time spent up to now is 13.9 secs Computing kpt #: 137 total cpu time spent up to now is 14.0 secs Computing kpt #: 138 total cpu time spent up to now is 14.1 secs Computing kpt #: 139 total cpu time spent up to now is 14.2 secs Computing kpt #: 140 total cpu time spent up to now is 14.3 secs Computing kpt #: 141 total cpu time spent up to now is 14.4 secs Computing kpt #: 142 total cpu time spent up to now is 14.5 secs Computing kpt #: 143 total cpu time spent up to now is 14.5 secs Computing kpt #: 144 total cpu time spent up to now is 14.6 secs Computing kpt #: 145 total cpu time spent up to now is 14.7 secs Computing kpt #: 146 total cpu time spent up to now is 14.8 secs Computing kpt #: 147 total cpu time spent up to now is 14.9 secs Computing kpt #: 148 total cpu time spent up to now is 15.0 secs Computing kpt #: 149 total cpu time spent up to now is 15.1 secs Computing kpt #: 150 total cpu time spent up to now is 15.2 secs Computing kpt #: 151 total cpu time spent up to now is 15.2 secs Computing kpt #: 152 total cpu time spent up to now is 15.3 secs Computing kpt #: 153 total cpu time spent up to now is 15.4 secs Computing kpt #: 154 total cpu time spent up to now is 15.5 secs Computing kpt #: 155 total cpu time spent up to now is 15.6 secs Computing kpt #: 156 total cpu time spent up to now is 15.6 secs Computing kpt #: 157 total cpu time spent up to now is 15.7 secs Computing kpt #: 158 total cpu time spent up to now is 15.8 secs Computing kpt #: 159 total cpu time spent up to now is 15.9 secs Computing kpt #: 160 total cpu time spent up to now is 16.0 secs Computing kpt #: 161 total cpu time spent up to now is 16.0 secs Computing kpt #: 162 total cpu time spent up to now is 16.1 secs Computing kpt #: 163 total cpu time spent up to now is 16.2 secs Computing kpt #: 164 total cpu time spent up to now is 16.2 secs Computing kpt #: 165 total cpu time spent up to now is 16.3 secs Computing kpt #: 166 total cpu time spent up to now is 16.4 secs Computing kpt #: 167 total cpu time spent up to now is 16.5 secs Computing kpt #: 168 total cpu time spent up to now is 16.5 secs Computing kpt #: 169 total cpu time spent up to now is 16.6 secs Computing kpt #: 170 total cpu time spent up to now is 16.7 secs Computing kpt #: 171 total cpu time spent up to now is 16.8 secs Computing kpt #: 172 total cpu time spent up to now is 16.9 secs Computing kpt #: 173 total cpu time spent up to now is 16.9 secs Computing kpt #: 174 total cpu time spent up to now is 17.0 secs Computing kpt #: 175 total cpu time spent up to now is 17.1 secs Computing kpt #: 176 total cpu time spent up to now is 17.2 secs Computing kpt #: 177 total cpu time spent up to now is 17.3 secs Computing kpt #: 178 total cpu time spent up to now is 17.6 secs Computing kpt #: 179 total cpu time spent up to now is 17.7 secs Computing kpt #: 180 total cpu time spent up to now is 17.8 secs Computing kpt #: 181 total cpu time spent up to now is 17.9 secs Computing kpt #: 182 total cpu time spent up to now is 18.0 secs Computing kpt #: 183 total cpu time spent up to now is 18.1 secs Computing kpt #: 184 total cpu time spent up to now is 18.2 secs Computing kpt #: 185 total cpu time spent up to now is 18.3 secs Computing kpt #: 186 total cpu time spent up to now is 18.4 secs Computing kpt #: 187 total cpu time spent up to now is 18.5 secs Computing kpt #: 188 total cpu time spent up to now is 18.6 secs Computing kpt #: 189 total cpu time spent up to now is 18.7 secs Computing kpt #: 190 total cpu time spent up to now is 18.8 secs Computing kpt #: 191 total cpu time spent up to now is 18.9 secs Computing kpt #: 192 total cpu time spent up to now is 19.0 secs Computing kpt #: 193 total cpu time spent up to now is 19.2 secs Computing kpt #: 194 total cpu time spent up to now is 19.3 secs Computing kpt #: 195 total cpu time spent up to now is 19.4 secs Computing kpt #: 196 total cpu time spent up to now is 19.5 secs Computing kpt #: 197 total cpu time spent up to now is 19.7 secs Computing kpt #: 198 total cpu time spent up to now is 19.8 secs Computing kpt #: 199 total cpu time spent up to now is 19.9 secs Computing kpt #: 200 total cpu time spent up to now is 20.1 secs Computing kpt #: 201 total cpu time spent up to now is 20.2 secs Computing kpt #: 202 total cpu time spent up to now is 20.4 secs Computing kpt #: 203 total cpu time spent up to now is 20.6 secs Computing kpt #: 204 total cpu time spent up to now is 20.7 secs Computing kpt #: 205 total cpu time spent up to now is 20.8 secs Computing kpt #: 206 total cpu time spent up to now is 21.0 secs Computing kpt #: 207 total cpu time spent up to now is 21.2 secs Computing kpt #: 208 total cpu time spent up to now is 21.3 secs Computing kpt #: 209 total cpu time spent up to now is 21.5 secs Computing kpt #: 210 total cpu time spent up to now is 21.6 secs Computing kpt #: 211 total cpu time spent up to now is 21.8 secs Computing kpt #: 212 total cpu time spent up to now is 21.9 secs Computing kpt #: 213 total cpu time spent up to now is 22.0 secs Computing kpt #: 214 total cpu time spent up to now is 22.1 secs Computing kpt #: 215 total cpu time spent up to now is 22.2 secs Computing kpt #: 216 total cpu time spent up to now is 22.3 secs Computing kpt #: 217 total cpu time spent up to now is 22.4 secs Computing kpt #: 218 total cpu time spent up to now is 22.5 secs Computing kpt #: 219 total cpu time spent up to now is 22.6 secs Computing kpt #: 220 total cpu time spent up to now is 22.7 secs Computing kpt #: 221 total cpu time spent up to now is 22.9 secs Computing kpt #: 222 total cpu time spent up to now is 23.0 secs Computing kpt #: 223 total cpu time spent up to now is 23.1 secs Computing kpt #: 224 total cpu time spent up to now is 23.2 secs Computing kpt #: 225 total cpu time spent up to now is 23.3 secs Computing kpt #: 226 total cpu time spent up to now is 23.5 secs Computing kpt #: 227 total cpu time spent up to now is 23.6 secs Computing kpt #: 228 total cpu time spent up to now is 23.7 secs Computing kpt #: 229 total cpu time spent up to now is 23.9 secs Computing kpt #: 230 total cpu time spent up to now is 24.0 secs Computing kpt #: 231 total cpu time spent up to now is 24.2 secs Computing kpt #: 232 total cpu time spent up to now is 24.4 secs Computing kpt #: 233 total cpu time spent up to now is 24.5 secs Computing kpt #: 234 total cpu time spent up to now is 24.7 secs Computing kpt #: 235 total cpu time spent up to now is 24.9 secs Computing kpt #: 236 total cpu time spent up to now is 25.1 secs Computing kpt #: 237 total cpu time spent up to now is 25.2 secs Computing kpt #: 238 total cpu time spent up to now is 25.4 secs Computing kpt #: 239 total cpu time spent up to now is 25.5 secs Computing kpt #: 240 total cpu time spent up to now is 25.6 secs Computing kpt #: 241 total cpu time spent up to now is 25.8 secs Computing kpt #: 242 total cpu time spent up to now is 25.9 secs Computing kpt #: 243 total cpu time spent up to now is 26.0 secs Computing kpt #: 244 total cpu time spent up to now is 26.1 secs Computing kpt #: 245 total cpu time spent up to now is 26.2 secs Computing kpt #: 246 total cpu time spent up to now is 26.3 secs Computing kpt #: 247 total cpu time spent up to now is 26.5 secs Computing kpt #: 248 total cpu time spent up to now is 26.6 secs Computing kpt #: 249 total cpu time spent up to now is 26.7 secs Computing kpt #: 250 total cpu time spent up to now is 26.9 secs Computing kpt #: 251 total cpu time spent up to now is 27.1 secs Computing kpt #: 252 total cpu time spent up to now is 27.3 secs Computing kpt #: 253 total cpu time spent up to now is 27.4 secs Computing kpt #: 254 total cpu time spent up to now is 27.6 secs Computing kpt #: 255 total cpu time spent up to now is 27.8 secs Computing kpt #: 256 total cpu time spent up to now is 28.0 secs Computing kpt #: 257 total cpu time spent up to now is 28.1 secs Computing kpt #: 258 total cpu time spent up to now is 28.3 secs Computing kpt #: 259 total cpu time spent up to now is 28.5 secs Computing kpt #: 260 total cpu time spent up to now is 28.6 secs Computing kpt #: 261 total cpu time spent up to now is 28.7 secs Computing kpt #: 262 total cpu time spent up to now is 28.9 secs Computing kpt #: 263 total cpu time spent up to now is 29.0 secs Computing kpt #: 264 total cpu time spent up to now is 29.1 secs Computing kpt #: 265 total cpu time spent up to now is 29.3 secs Computing kpt #: 266 total cpu time spent up to now is 29.4 secs Computing kpt #: 267 total cpu time spent up to now is 29.5 secs Computing kpt #: 268 total cpu time spent up to now is 29.7 secs Computing kpt #: 269 total cpu time spent up to now is 29.8 secs Computing kpt #: 270 total cpu time spent up to now is 29.9 secs Computing kpt #: 271 total cpu time spent up to now is 30.1 secs Computing kpt #: 272 total cpu time spent up to now is 30.2 secs Computing kpt #: 273 total cpu time spent up to now is 30.4 secs Computing kpt #: 274 total cpu time spent up to now is 30.5 secs Computing kpt #: 275 total cpu time spent up to now is 30.7 secs Computing kpt #: 276 total cpu time spent up to now is 30.8 secs Computing kpt #: 277 total cpu time spent up to now is 31.0 secs Computing kpt #: 278 total cpu time spent up to now is 31.1 secs Computing kpt #: 279 total cpu time spent up to now is 31.3 secs Computing kpt #: 280 total cpu time spent up to now is 31.5 secs Computing kpt #: 281 total cpu time spent up to now is 31.6 secs Computing kpt #: 282 total cpu time spent up to now is 31.7 secs Computing kpt #: 283 total cpu time spent up to now is 31.8 secs Computing kpt #: 284 total cpu time spent up to now is 31.9 secs Computing kpt #: 285 total cpu time spent up to now is 32.1 secs Computing kpt #: 286 total cpu time spent up to now is 32.2 secs Computing kpt #: 287 total cpu time spent up to now is 32.3 secs Computing kpt #: 288 total cpu time spent up to now is 32.4 secs Computing kpt #: 289 total cpu time spent up to now is 32.4 secs Computing kpt #: 290 total cpu time spent up to now is 32.5 secs Computing kpt #: 291 total cpu time spent up to now is 32.6 secs Computing kpt #: 292 total cpu time spent up to now is 32.7 secs Computing kpt #: 293 total cpu time spent up to now is 32.8 secs Computing kpt #: 294 total cpu time spent up to now is 32.9 secs Computing kpt #: 295 total cpu time spent up to now is 33.0 secs Computing kpt #: 296 total cpu time spent up to now is 33.1 secs Computing kpt #: 297 total cpu time spent up to now is 33.1 secs Computing kpt #: 298 total cpu time spent up to now is 33.2 secs Computing kpt #: 299 total cpu time spent up to now is 33.3 secs Computing kpt #: 300 total cpu time spent up to now is 33.4 secs Computing kpt #: 301 total cpu time spent up to now is 33.5 secs Computing kpt #: 302 total cpu time spent up to now is 33.6 secs Computing kpt #: 303 total cpu time spent up to now is 33.6 secs Computing kpt #: 304 total cpu time spent up to now is 33.7 secs Computing kpt #: 305 total cpu time spent up to now is 33.8 secs Computing kpt #: 306 total cpu time spent up to now is 33.9 secs Computing kpt #: 307 total cpu time spent up to now is 34.0 secs Computing kpt #: 308 total cpu time spent up to now is 34.1 secs Computing kpt #: 309 total cpu time spent up to now is 34.2 secs Computing kpt #: 310 total cpu time spent up to now is 34.3 secs Computing kpt #: 311 total cpu time spent up to now is 34.4 secs Computing kpt #: 312 total cpu time spent up to now is 34.5 secs Computing kpt #: 313 total cpu time spent up to now is 34.6 secs Computing kpt #: 314 total cpu time spent up to now is 34.6 secs Computing kpt #: 315 total cpu time spent up to now is 34.7 secs Computing kpt #: 316 total cpu time spent up to now is 34.8 secs Computing kpt #: 317 total cpu time spent up to now is 34.9 secs Computing kpt #: 318 total cpu time spent up to now is 35.0 secs Computing kpt #: 319 total cpu time spent up to now is 35.1 secs Computing kpt #: 320 total cpu time spent up to now is 35.2 secs Computing kpt #: 321 total cpu time spent up to now is 35.2 secs Computing kpt #: 322 total cpu time spent up to now is 35.3 secs Computing kpt #: 323 total cpu time spent up to now is 35.4 secs Computing kpt #: 324 total cpu time spent up to now is 35.5 secs Computing kpt #: 325 total cpu time spent up to now is 35.6 secs Computing kpt #: 326 total cpu time spent up to now is 35.7 secs Computing kpt #: 327 total cpu time spent up to now is 35.7 secs Computing kpt #: 328 total cpu time spent up to now is 35.8 secs Computing kpt #: 329 total cpu time spent up to now is 35.9 secs Computing kpt #: 330 total cpu time spent up to now is 36.0 secs Computing kpt #: 331 total cpu time spent up to now is 36.1 secs Computing kpt #: 332 total cpu time spent up to now is 36.2 secs Computing kpt #: 333 total cpu time spent up to now is 36.2 secs Computing kpt #: 334 total cpu time spent up to now is 36.3 secs Computing kpt #: 335 total cpu time spent up to now is 36.4 secs Computing kpt #: 336 total cpu time spent up to now is 36.5 secs Computing kpt #: 337 total cpu time spent up to now is 36.6 secs Computing kpt #: 338 total cpu time spent up to now is 36.7 secs Computing kpt #: 339 total cpu time spent up to now is 36.8 secs Computing kpt #: 340 total cpu time spent up to now is 36.9 secs Computing kpt #: 341 total cpu time spent up to now is 37.0 secs Computing kpt #: 342 total cpu time spent up to now is 37.0 secs Computing kpt #: 343 total cpu time spent up to now is 37.1 secs Computing kpt #: 344 total cpu time spent up to now is 37.2 secs Computing kpt #: 345 total cpu time spent up to now is 37.3 secs Computing kpt #: 346 total cpu time spent up to now is 37.4 secs Computing kpt #: 347 total cpu time spent up to now is 37.5 secs Computing kpt #: 348 total cpu time spent up to now is 37.6 secs Computing kpt #: 349 total cpu time spent up to now is 37.7 secs Computing kpt #: 350 total cpu time spent up to now is 37.8 secs Computing kpt #: 351 total cpu time spent up to now is 37.9 secs Computing kpt #: 352 total cpu time spent up to now is 38.4 secs Computing kpt #: 353 total cpu time spent up to now is 38.5 secs Computing kpt #: 354 total cpu time spent up to now is 38.6 secs Computing kpt #: 355 total cpu time spent up to now is 38.8 secs Computing kpt #: 356 total cpu time spent up to now is 38.9 secs Computing kpt #: 357 total cpu time spent up to now is 39.0 secs Computing kpt #: 358 total cpu time spent up to now is 39.1 secs Computing kpt #: 359 total cpu time spent up to now is 39.2 secs Computing kpt #: 360 total cpu time spent up to now is 39.4 secs ethr = 5.00E-08, avg # of iterations = 15.2 total cpu time spent up to now is 39.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1365 PWs) bands (ev): -4.0821 -4.0821 -4.0821 -4.0821 -1.8420 -1.8420 -1.6199 -1.6199 -1.6199 -1.6199 -1.3498 -1.3498 8.2816 8.2816 11.0551 11.0551 11.9050 11.9050 11.9050 11.9050 18.9063 18.9063 18.9063 18.9063 21.0146 21.0146 23.9816 23.9816 k = 0.0000 0.0106-0.0000 ( 1365 PWs) bands (ev): -4.0821 -4.0821 -4.0820 -4.0820 -1.8406 -1.8406 -1.6199 -1.6199 -1.6198 -1.6198 -1.3499 -1.3499 8.2748 8.2748 11.0574 11.0574 11.9066 11.9066 11.9068 11.9068 18.9070 18.9070 18.9128 18.9128 21.0096 21.0096 23.9730 23.9735 k = 0.0000 0.0213-0.0000 ( 1365 PWs) bands (ev): -4.0821 -4.0821 -4.0817 -4.0817 -1.8366 -1.8366 -1.6199 -1.6199 -1.6195 -1.6195 -1.3503 -1.3503 8.2547 8.2547 11.0642 11.0642 11.9112 11.9112 11.9122 11.9122 18.9092 18.9092 18.9323 18.9323 20.9949 20.9949 23.9421 23.9421 k = 0.0000 0.0319-0.0000 ( 1365 PWs) bands (ev): -4.0821 -4.0821 -4.0813 -4.0813 -1.8299 -1.8299 -1.6199 -1.6199 -1.6189 -1.6189 -1.3510 -1.3510 8.2215 8.2215 11.0753 11.0753 11.9188 11.9188 11.9210 11.9210 18.9127 18.9127 18.9642 18.9642 20.9707 20.9707 23.8937 23.8937 k = 0.0000 0.0426-0.0000 ( 1374 PWs) bands (ev): -4.0822 -4.0822 -4.0808 -4.0808 -1.8205 -1.8205 -1.6200 -1.6200 -1.6181 -1.6181 -1.3519 -1.3519 8.1757 8.1757 11.0907 11.0907 11.9295 11.9295 11.9333 11.9333 18.9177 18.9177 19.0078 19.0078 20.9376 20.9376 23.8276 23.8276 k = 0.0000 0.0532-0.0000 ( 1374 PWs) bands (ev): -4.0822 -4.0822 -4.0801 -4.0801 -1.8084 -1.8084 -1.6200 -1.6200 -1.6171 -1.6171 -1.3530 -1.3530 8.1180 8.1180 11.1100 11.1100 11.9432 11.9432 11.9490 11.9490 18.9240 18.9240 19.0622 19.0622 20.8964 20.8964 23.7457 23.7457 k = 0.0000 0.0638-0.0000 ( 1374 PWs) bands (ev): -4.0823 -4.0823 -4.0792 -4.0792 -1.7938 -1.7938 -1.6201 -1.6201 -1.6157 -1.6157 -1.3544 -1.3544 8.0490 8.0490 11.1331 11.1331 11.9599 11.9599 11.9679 11.9679 18.9318 18.9318 19.1256 19.1256 20.8483 20.8483 23.6496 23.6497 k = 0.0000 0.0745-0.0000 ( 1370 PWs) bands (ev): -4.0824 -4.0824 -4.0782 -4.0782 -1.7766 -1.7766 -1.6201 -1.6201 -1.6141 -1.6141 -1.3561 -1.3561 7.9696 7.9696 11.1597 11.1597 11.9796 11.9796 11.9899 11.9899 18.9410 18.9410 19.1960 19.1960 20.7950 20.7950 23.5417 23.5417 k = 0.0000 0.0851-0.0000 ( 1378 PWs) bands (ev): -4.0824 -4.0824 -4.0771 -4.0771 -1.7569 -1.7569 -1.6202 -1.6202 -1.6121 -1.6121 -1.3579 -1.3579 7.8806 7.8806 11.1896 11.1896 12.0022 12.0022 12.0150 12.0150 18.9515 18.9515 19.2702 19.2702 20.7391 20.7391 23.4242 23.4242 k = 0.0000 0.0957-0.0000 ( 1378 PWs) bands (ev): -4.0825 -4.0825 -4.0759 -4.0759 -1.7349 -1.7349 -1.6203 -1.6203 -1.6095 -1.6095 -1.3600 -1.3600 7.7830 7.7830 11.2225 11.2225 12.0278 12.0278 12.0429 12.0429 18.9635 18.9635 19.3439 19.3439 20.6838 20.6838 23.2998 23.2998 k = 0.0000 0.1064-0.0000 ( 1382 PWs) bands (ev): -4.0827 -4.0827 -4.0745 -4.0745 -1.7109 -1.7109 -1.6204 -1.6204 -1.6062 -1.6062 -1.3622 -1.3622 7.6775 7.6775 11.2583 11.2583 12.0562 12.0562 12.0736 12.0736 18.9767 18.9767 19.4111 19.4111 20.6341 20.6341 23.1711 23.1711 k = 0.0000 0.1170-0.0000 ( 1382 PWs) bands (ev): -4.0828 -4.0828 -4.0731 -4.0731 -1.6854 -1.6854 -1.6205 -1.6205 -1.6014 -1.6014 -1.3646 -1.3646 7.5649 7.5649 11.2968 11.2968 12.0874 12.0874 12.1069 12.1069 18.9914 18.9914 19.4639 19.4639 20.5963 20.5963 23.0414 23.0414 k = 0.0000 0.1277-0.0000 ( 1390 PWs) bands (ev): -4.0829 -4.0829 -4.0716 -4.0716 -1.6601 -1.6601 -1.6207 -1.6207 -1.5938 -1.5938 -1.3672 -1.3672 7.4461 7.4461 11.3379 11.3379 12.1214 12.1214 12.1429 12.1429 19.0073 19.0073 19.4932 19.4932 20.5770 20.5770 22.9144 22.9144 k = 0.0000 0.1383-0.0000 ( 1390 PWs) bands (ev): -4.0831 -4.0831 -4.0700 -4.0700 -1.6383 -1.6383 -1.6209 -1.6209 -1.5799 -1.5799 -1.3700 -1.3700 7.3219 7.3219 11.3815 11.3815 12.1581 12.1581 12.1813 12.1813 19.0245 19.0245 19.4916 19.4916 20.5803 20.5803 22.7948 22.7948 k = 0.0000 0.1489-0.0000 ( 1402 PWs) bands (ev): -4.0832 -4.0832 -4.0684 -4.0684 -1.6236 -1.6236 -1.6211 -1.6211 -1.5562 -1.5562 -1.3728 -1.3728 7.1928 7.1928 11.4275 11.4275 12.1974 12.1974 12.2222 12.2222 19.0430 19.0430 19.4567 19.4567 20.6038 20.6038 22.6861 22.6861 k = 0.0000 0.1596-0.0000 ( 1402 PWs) bands (ev): -4.0834 -4.0834 -4.0667 -4.0667 -1.6214 -1.6214 -1.6149 -1.6149 -1.5238 -1.5238 -1.3758 -1.3758 7.0597 7.0597 11.4759 11.4759 12.2393 12.2393 12.2655 12.2655 19.0628 19.0628 19.3915 19.3915 20.6381 20.6381 22.5300 22.5300 k = 0.0000 0.1702-0.0000 ( 1402 PWs) bands (ev): -4.0835 -4.0835 -4.0649 -4.0649 -1.6217 -1.6217 -1.6091 -1.6091 -1.4859 -1.4859 -1.3789 -1.3789 6.9230 6.9230 11.5266 11.5266 12.2837 12.2837 12.3111 12.3111 19.0838 19.0838 19.3017 19.3017 20.6690 20.6690 22.3706 22.3706 k = 0.0000 0.1809-0.0000 ( 1406 PWs) bands (ev): -4.0837 -4.0837 -4.0632 -4.0632 -1.6221 -1.6221 -1.6045 -1.6045 -1.4443 -1.4443 -1.3820 -1.3820 6.7835 6.7835 11.5795 11.5795 12.3304 12.3304 12.3590 12.3590 19.1059 19.1059 19.1934 19.1934 20.6825 20.6825 22.2088 22.2088 k = 0.0000 0.1915-0.0000 ( 1414 PWs) bands (ev): -4.0839 -4.0839 -4.0614 -4.0614 -1.6225 -1.6225 -1.6004 -1.6004 -1.3996 -1.3996 -1.3852 -1.3852 6.6415 6.6415 11.6346 11.6346 12.3795 12.3795 12.4092 12.4092 19.0712 19.0712 19.1292 19.1292 20.6677 20.6677 22.0453 22.0453 k = 0.0000 0.2021-0.0000 ( 1414 PWs) bands (ev): -4.0841 -4.0841 -4.0596 -4.0596 -1.6229 -1.6229 -1.5966 -1.5966 -1.3884 -1.3884 -1.3522 -1.3522 6.4976 6.4976 11.6918 11.6918 12.4308 12.4308 12.4617 12.4617 18.9387 18.9387 19.1536 19.1536 20.6205 20.6205 21.8807 21.8807 k = 0.0000 0.2128-0.0000 ( 1406 PWs) bands (ev): -4.0843 -4.0843 -4.0579 -4.0579 -1.6234 -1.6234 -1.5929 -1.5929 -1.3916 -1.3916 -1.3024 -1.3024 6.3524 6.3524 11.7512 11.7512 12.4842 12.4842 12.5163 12.5163 18.7983 18.7983 19.1790 19.1790 20.5429 20.5429 21.7156 21.7156 k = 0.0000 0.2234-0.0000 ( 1406 PWs) bands (ev): -4.0845 -4.0845 -4.0561 -4.0561 -1.6240 -1.6240 -1.5892 -1.5892 -1.3948 -1.3948 -1.2503 -1.2503 6.2061 6.2061 11.8126 11.8126 12.5395 12.5395 12.5732 12.5732 18.6519 18.6519 19.2054 19.2054 20.4405 20.4405 21.5506 21.5506 k = 0.0000 0.2340-0.0000 ( 1406 PWs) bands (ev): -4.0847 -4.0847 -4.0544 -4.0544 -1.6246 -1.6246 -1.5856 -1.5856 -1.3980 -1.3980 -1.1960 -1.1960 6.0594 6.0594 11.8760 11.8760 12.5966 12.5966 12.6323 12.6323 18.5009 18.5009 19.2327 19.2327 20.3196 20.3196 21.3862 21.3862 k = 0.0000 0.2447-0.0000 ( 1406 PWs) bands (ev): -4.0849 -4.0849 -4.0527 -4.0527 -1.6253 -1.6253 -1.5820 -1.5820 -1.4012 -1.4012 -1.1396 -1.1396 5.9124 5.9124 11.9414 11.9414 12.6555 12.6555 12.6935 12.6935 18.3464 18.3464 19.2609 19.2609 20.1855 20.1855 21.2228 21.2228 k = 0.0000 0.2553-0.0000 ( 1422 PWs) bands (ev): -4.0851 -4.0851 -4.0511 -4.0511 -1.6260 -1.6260 -1.5783 -1.5783 -1.4043 -1.4043 -1.0814 -1.0814 5.7658 5.7658 12.0087 12.0087 12.7158 12.7158 12.7569 12.7569 18.1893 18.1893 19.2899 19.2899 20.0426 20.0426 21.0609 21.0609 k = 0.0000 0.2660-0.0000 ( 1422 PWs) bands (ev): -4.0854 -4.0854 -4.0495 -4.0495 -1.6267 -1.6267 -1.5746 -1.5746 -1.4073 -1.4073 -1.0214 -1.0214 5.6197 5.6197 12.0778 12.0778 12.7775 12.7775 12.8223 12.8223 18.0303 18.0303 19.3195 19.3195 19.8940 19.8940 20.9008 20.9008 k = 0.0000 0.2766-0.0000 ( 1422 PWs) bands (ev): -4.0856 -4.0856 -4.0480 -4.0480 -1.6276 -1.6276 -1.5709 -1.5709 -1.4103 -1.4103 -0.9597 -0.9597 5.4747 5.4747 12.1486 12.1486 12.8403 12.8403 12.8897 12.8897 17.8700 17.8700 19.3497 19.3497 19.7419 19.7419 20.7431 20.7431 k = 0.0000 0.2872-0.0000 ( 1422 PWs) bands (ev): -4.0858 -4.0858 -4.0465 -4.0465 -1.6284 -1.6284 -1.5673 -1.5673 -1.4131 -1.4131 -0.8966 -0.8966 5.3310 5.3310 12.2211 12.2211 12.9040 12.9040 12.9591 12.9591 17.7091 17.7091 19.3804 19.3804 19.5883 19.5883 20.5880 20.5880 k = 0.0000 0.2979-0.0000 ( 1422 PWs) bands (ev): -4.0860 -4.0860 -4.0452 -4.0452 -1.6293 -1.6293 -1.5636 -1.5636 -1.4158 -1.4158 -0.8323 -0.8323 5.1890 5.1890 12.2951 12.2951 12.9685 12.9685 13.0304 13.0304 17.5479 17.5479 19.4114 19.4114 19.4344 19.4344 20.4360 20.4360 k = 0.0000 0.3085-0.0000 ( 1422 PWs) bands (ev): -4.0862 -4.0862 -4.0438 -4.0438 -1.6303 -1.6303 -1.5600 -1.5600 -1.4184 -1.4184 -0.7668 -0.7668 5.0492 5.0492 12.3705 12.3705 13.0334 13.0334 13.1035 13.1035 17.3869 17.3869 19.2813 19.2813 19.4427 19.4427 20.2875 20.2875 k = 0.0000 0.3191-0.0000 ( 1422 PWs) bands (ev): -4.0864 -4.0864 -4.0426 -4.0426 -1.6312 -1.6312 -1.5565 -1.5565 -1.4209 -1.4209 -0.7006 -0.7006 4.9118 4.9118 12.4471 12.4471 13.0984 13.0984 13.1784 13.1784 17.2265 17.2265 19.1300 19.1300 19.4740 19.4740 20.1429 20.1429 k = 0.0000 0.3298-0.0000 ( 1426 PWs) bands (ev): -4.0867 -4.0867 -4.0414 -4.0414 -1.6322 -1.6322 -1.5530 -1.5530 -1.4233 -1.4233 -0.6338 -0.6338 4.7774 4.7774 12.5248 12.5248 13.1634 13.1634 13.2548 13.2548 17.0671 17.0671 18.9812 18.9812 19.5052 19.5052 20.0026 20.0026 k = 0.0000 0.3404-0.0000 ( 1426 PWs) bands (ev): -4.0869 -4.0869 -4.0403 -4.0403 -1.6332 -1.6332 -1.5496 -1.5496 -1.4255 -1.4255 -0.5668 -0.5668 4.6462 4.6462 12.6032 12.6032 13.2278 13.2278 13.3327 13.3327 16.9090 16.9090 18.8357 18.8357 19.5361 19.5361 19.8670 19.8670 k = 0.0000 0.3511-0.0000 ( 1418 PWs) bands (ev): -4.0871 -4.0871 -4.0393 -4.0393 -1.6342 -1.6342 -1.5463 -1.5463 -1.4275 -1.4275 -0.4998 -0.4998 4.5188 4.5188 12.6822 12.6822 13.2914 13.2914 13.4119 13.4119 16.7526 16.7526 18.6941 18.6941 19.5662 19.5662 19.7370 19.7370 k = 0.0000 0.3617-0.0000 ( 1418 PWs) bands (ev): -4.0872 -4.0872 -4.0383 -4.0383 -1.6352 -1.6352 -1.5432 -1.5432 -1.4294 -1.4294 -0.4333 -0.4333 4.3957 4.3957 12.7613 12.7613 13.3538 13.3538 13.4924 13.4924 16.5981 16.5981 18.5571 18.5571 19.5895 19.5895 19.6188 19.6188 k = 0.0000 0.3723-0.0000 ( 1414 PWs) bands (ev): -4.0874 -4.0874 -4.0374 -4.0374 -1.6362 -1.6362 -1.5402 -1.5402 -1.4312 -1.4312 -0.3678 -0.3678 4.2774 4.2774 12.8402 12.8402 13.4146 13.4146 13.5740 13.5740 16.4458 16.4458 18.4253 18.4253 19.4909 19.4909 19.6276 19.6276 k = 0.0000 0.3830-0.0000 ( 1414 PWs) bands (ev): -4.0876 -4.0876 -4.0366 -4.0366 -1.6371 -1.6371 -1.5373 -1.5373 -1.4328 -1.4328 -0.3036 -0.3036 4.1644 4.1644 12.9184 12.9184 13.4732 13.4732 13.6565 13.6565 16.2962 16.2962 18.2996 18.2996 19.3793 19.3793 19.6551 19.6551 k = 0.0000 0.3936-0.0000 ( 1422 PWs) bands (ev): -4.0878 -4.0878 -4.0359 -4.0359 -1.6380 -1.6380 -1.5347 -1.5347 -1.4343 -1.4343 -0.2414 -0.2414 4.0575 4.0575 12.9951 12.9951 13.5293 13.5293 13.7398 13.7398 16.1496 16.1496 18.1805 18.1805 19.2743 19.2743 19.6817 19.6817 k = 0.0000 0.4043-0.0000 ( 1422 PWs) bands (ev): -4.0879 -4.0879 -4.0353 -4.0353 -1.6389 -1.6389 -1.5322 -1.5322 -1.4356 -1.4356 -0.1818 -0.1818 3.9572 3.9572 13.0696 13.0696 13.5823 13.5823 13.8238 13.8238 16.0063 16.0063 18.0689 18.0689 19.1769 19.1769 19.7068 19.7068 k = 0.0000 0.4149-0.0000 ( 1422 PWs) bands (ev): -4.0880 -4.0880 -4.0347 -4.0347 -1.6397 -1.6397 -1.5300 -1.5300 -1.4368 -1.4368 -0.1255 -0.1255 3.8642 3.8642 13.1411 13.1411 13.6316 13.6316 13.9083 13.9083 15.8669 15.8669 17.9655 17.9655 19.0877 19.0877 19.7302 19.7302 k = 0.0000 0.4255-0.0000 ( 1414 PWs) bands (ev): -4.0882 -4.0882 -4.0342 -4.0342 -1.6404 -1.6404 -1.5280 -1.5280 -1.4378 -1.4378 -0.0731 -0.0731 3.7795 3.7795 13.2085 13.2085 13.6768 13.6768 13.9930 13.9930 15.7319 15.7319 17.8714 17.8714 19.0073 19.0073 19.7516 19.7516 k = 0.0000 0.4362-0.0000 ( 1414 PWs) bands (ev): -4.0883 -4.0883 -4.0338 -4.0338 -1.6410 -1.6410 -1.5262 -1.5262 -1.4387 -1.4387 -0.0255 -0.0255 3.7038 3.7038 13.2707 13.2707 13.7174 13.7174 14.0777 14.0777 15.6022 15.6022 17.7872 17.7872 18.9361 18.9361 19.7708 19.7708 k = 0.0000 0.4468-0.0000 ( 1414 PWs) bands (ev): -4.0884 -4.0884 -4.0334 -4.0334 -1.6416 -1.6416 -1.5246 -1.5246 -1.4394 -1.4394 0.0166 0.0166 3.6378 3.6378 13.3264 13.3264 13.7527 13.7527 14.1614 14.1614 15.4790 15.4790 17.7140 17.7140 18.8749 18.8749 19.7874 19.7874 k = 0.0000 0.4574-0.0000 ( 1414 PWs) bands (ev): -4.0884 -4.0884 -4.0331 -4.0331 -1.6421 -1.6421 -1.5234 -1.5234 -1.4400 -1.4400 0.0524 0.0524 3.5825 3.5825 13.3742 13.3742 13.7824 13.7824 14.2430 14.2430 15.3642 15.3642 17.6526 17.6526 18.8240 18.8240 19.8013 19.8013 k = 0.0000 0.4681-0.0000 ( 1418 PWs) bands (ev): -4.0885 -4.0885 -4.0329 -4.0329 -1.6424 -1.6424 -1.5224 -1.5224 -1.4405 -1.4405 0.0811 0.0811 3.5385 3.5385 13.4130 13.4130 13.8060 13.8060 14.3197 14.3197 15.2611 15.2611 17.6038 17.6038 18.7839 18.7839 19.8124 19.8124 k = 0.0000 0.4787-0.0000 ( 1422 PWs) bands (ev): -4.0885 -4.0885 -4.0327 -4.0327 -1.6427 -1.6427 -1.5217 -1.5217 -1.4408 -1.4408 0.1021 0.1021 3.5066 3.5066 13.4416 13.4416 13.8231 13.8231 14.3864 14.3864 15.1750 15.1750 17.5684 17.5684 18.7550 18.7550 19.8204 19.8204 k = 0.0000 0.4894-0.0000 ( 1422 PWs) bands (ev): -4.0886 -4.0886 -4.0326 -4.0326 -1.6429 -1.6429 -1.5213 -1.5213 -1.4410 -1.4410 0.1149 0.1149 3.4872 3.4872 13.4591 13.4591 13.8335 13.8335 14.4344 14.4344 15.1153 15.1153 17.5470 17.5470 18.7375 18.7375 19.8252 19.8252 k = 0.0000 0.5000-0.0000 ( 1422 PWs) bands (ev): -4.0886 -4.0886 -4.0326 -4.0326 -1.6429 -1.6429 -1.5211 -1.5211 -1.4411 -1.4411 0.1193 0.1193 3.4808 3.4808 13.4651 13.4651 13.8369 13.8369 14.4523 14.4523 15.0933 15.0933 17.5398 17.5398 18.7317 18.7317 19.8268 19.8268 k = 0.0000 0.5000-0.0000 ( 1422 PWs) bands (ev): -4.0886 -4.0886 -4.0326 -4.0326 -1.6429 -1.6429 -1.5211 -1.5211 -1.4411 -1.4411 0.1193 0.1193 3.4808 3.4808 13.4651 13.4651 13.8369 13.8369 14.4523 14.4523 15.0933 15.0933 17.5398 17.5398 18.7317 18.7317 19.8268 19.8268 k = 0.0106 0.5000-0.0000 ( 1422 PWs) bands (ev): -4.0885 -4.0885 -4.0326 -4.0326 -1.6430 -1.6430 -1.5212 -1.5212 -1.4414 -1.4414 0.1212 0.1212 3.4822 3.4822 13.4485 13.4485 13.8129 13.8129 14.4852 14.4852 15.0851 15.0851 17.5457 17.5457 18.7350 18.7350 19.8332 19.8332 k = 0.0213 0.5000-0.0000 ( 1422 PWs) bands (ev): -4.0884 -4.0884 -4.0328 -4.0328 -1.6433 -1.6433 -1.5214 -1.5214 -1.4424 -1.4424 0.1271 0.1271 3.4866 3.4866 13.3942 13.3942 13.7631 13.7631 14.5630 14.5630 15.0640 15.0640 17.5631 17.5631 18.7450 18.7450 19.8522 19.8522 k = 0.0319 0.5000-0.0000 ( 1420 PWs) bands (ev): -4.0882 -4.0882 -4.0331 -4.0331 -1.6438 -1.6438 -1.5218 -1.5218 -1.4439 -1.4439 0.1369 0.1369 3.4939 3.4939 13.2972 13.2972 13.7203 13.7203 14.6439 14.6439 15.0457 15.0457 17.5908 17.5908 18.7612 18.7612 19.8838 19.8838 k = 0.0426 0.5000-0.0000 ( 1420 PWs) bands (ev): -4.0880 -4.0880 -4.0335 -4.0335 -1.6445 -1.6445 -1.5225 -1.5225 -1.4459 -1.4459 0.1504 0.1504 3.5041 3.5041 13.1646 13.1646 13.6938 13.6938 14.6790 14.6790 15.0648 15.0648 17.6273 17.6273 18.7834 18.7834 19.9280 19.9280 k = 0.0532 0.5000-0.0000 ( 1418 PWs) bands (ev): -4.0877 -4.0877 -4.0340 -4.0340 -1.6453 -1.6453 -1.5235 -1.5235 -1.4481 -1.4481 0.1677 0.1677 3.5172 3.5172 13.0094 13.0094 13.6788 13.6788 14.6404 14.6404 15.1434 15.1434 17.6709 17.6709 18.8110 18.8110 19.9846 19.9846 k = 0.0638 0.5000-0.0000 ( 1422 PWs) bands (ev): -4.0873 -4.0873 -4.0346 -4.0346 -1.6465 -1.6465 -1.5248 -1.5248 -1.4505 -1.4505 0.1886 0.1886 3.5333 3.5333 12.8411 12.8411 13.6700 13.6700 14.5502 14.5502 15.2581 15.2581 17.7199 17.7199 18.8433 18.8433 20.0535 20.0535 k = 0.0745 0.5000-0.0000 ( 1426 PWs) bands (ev): -4.0868 -4.0868 -4.0353 -4.0353 -1.6479 -1.6479 -1.5265 -1.5265 -1.4528 -1.4528 0.2129 0.2129 3.5524 3.5524 12.6649 12.6649 13.6642 13.6642 14.4316 14.4316 15.3862 15.3862 17.7730 17.7730 18.8797 18.8797 20.1344 20.1344 k = 0.0851 0.5000-0.0000 ( 1426 PWs) bands (ev): -4.0863 -4.0863 -4.0361 -4.0361 -1.6495 -1.6495 -1.5287 -1.5287 -1.4549 -1.4549 0.2406 0.2406 3.5744 3.5744 12.4838 12.4838 13.6591 13.6591 14.2959 14.2959 15.5181 15.5181 17.8290 17.8290 18.9193 18.9193 20.2270 20.2270 k = 0.0957 0.5000-0.0000 ( 1426 PWs) bands (ev): -4.0858 -4.0858 -4.0370 -4.0370 -1.6515 -1.6515 -1.5315 -1.5315 -1.4566 -1.4566 0.2715 0.2715 3.5994 3.5994 12.2998 12.2998 13.6523 13.6523 14.1500 14.1500 15.6497 15.6497 17.8873 17.8873 18.9616 18.9616 20.3309 20.3309 k = 0.1064 0.5000-0.0000 ( 1426 PWs) bands (ev): -4.0852 -4.0852 -4.0380 -4.0380 -1.6538 -1.6538 -1.5347 -1.5347 -1.4577 -1.4577 0.3054 0.3054 3.6273 3.6273 12.1140 12.1140 13.6387 13.6387 14.0015 14.0015 15.7792 15.7792 17.9473 17.9473 19.0059 19.0059 20.4454 20.4454 k = 0.1170 0.5000-0.0000 ( 1422 PWs) bands (ev): -4.0846 -4.0846 -4.0392 -4.0392 -1.6564 -1.6564 -1.5384 -1.5384 -1.4582 -1.4582 0.3421 0.3421 3.6583 3.6583 11.9273 11.9273 13.6035 13.6035 13.8672 13.8672 15.9056 15.9056 18.0086 18.0086 19.0517 19.0517 20.5699 20.5699 k = 0.1277 0.5000-0.0000 ( 1422 PWs) bands (ev): -4.0840 -4.0840 -4.0404 -4.0404 -1.6595 -1.6595 -1.5424 -1.5424 -1.4581 -1.4581 0.3816 0.3816 3.6924 3.6924 11.7403 11.7403 13.5146 13.5146 13.7806 13.7806 16.0286 16.0286 18.0711 18.0711 19.0986 19.0986 20.7036 20.7036 k = 0.1383 0.5000-0.0000 ( 1422 PWs) bands (ev): -4.0833 -4.0833 -4.0417 -4.0417 -1.6630 -1.6630 -1.5465 -1.5465 -1.4574 -1.4574 0.4236 0.4236 3.7294 3.7294 11.5537 11.5537 13.3684 13.3684 13.7464 13.7464 16.1480 16.1480 18.1345 18.1345 19.1464 19.1464 20.8454 20.8454 k = 0.1489 0.5000-0.0000 ( 1422 PWs) bands (ev): -4.0827 -4.0827 -4.0431 -4.0431 -1.6670 -1.6670 -1.5506 -1.5506 -1.4562 -1.4562 0.4680 0.4680 3.7696 3.7696 11.3677 11.3677 13.1952 13.1952 13.7353 13.7353 16.2639 16.2639 18.1989 18.1989 19.1947 19.1947 20.9943 20.9943 k = 0.1596 0.5000-0.0000 ( 1414 PWs) bands (ev): -4.0820 -4.0820 -4.0446 -4.0446 -1.6714 -1.6714 -1.5546 -1.5546 -1.4544 -1.4544 0.5147 0.5147 3.8128 3.8128 11.1828 11.1828 13.0104 13.0104 13.7327 13.7327 16.3766 16.3766 18.2640 18.2640 19.2435 19.2435 21.1488 21.1488 k = 0.1702 0.5000-0.0000 ( 1414 PWs) bands (ev): -4.0814 -4.0814 -4.0462 -4.0462 -1.6763 -1.6763 -1.5584 -1.5584 -1.4522 -1.4522 0.5634 0.5634 3.8592 3.8592 10.9992 10.9992 12.8194 12.8194 13.7339 13.7339 16.4862 16.4862 18.3299 18.3299 19.2929 19.2929 21.3076 21.3076 k = 0.1809 0.5000-0.0000 ( 1418 PWs) bands (ev): -4.0808 -4.0808 -4.0479 -4.0479 -1.6816 -1.6816 -1.5619 -1.5619 -1.4496 -1.4496 0.6140 0.6140 3.9086 3.9086 10.8173 10.8173 12.6244 12.6244 13.7372 13.7372 16.5930 16.5930 18.3965 18.3965 19.3430 19.3430 21.4691 21.4691 k = 0.1915 0.5000-0.0000 ( 1418 PWs) bands (ev): -4.0802 -4.0802 -4.0496 -4.0496 -1.6872 -1.6872 -1.5650 -1.5650 -1.4466 -1.4466 0.6664 0.6664 3.9613 3.9613 10.6374 10.6374 12.4268 12.4268 13.7417 13.7417 16.6972 16.6972 18.4636 18.4636 19.3939 19.3939 21.6313 21.6313 k = 0.2021 0.5000-0.0000 ( 1420 PWs) bands (ev): -4.0797 -4.0797 -4.0513 -4.0513 -1.6932 -1.6932 -1.5677 -1.5677 -1.4434 -1.4434 0.7204 0.7204 4.0171 4.0171 10.4596 10.4596 12.2275 12.2275 13.7470 13.7470 16.7993 16.7993 18.5310 18.5310 19.4459 19.4459 21.7922 21.7922 k = 0.2128 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0792 -4.0792 -4.0530 -4.0530 -1.6995 -1.6995 -1.5700 -1.5700 -1.4399 -1.4399 0.7758 0.7758 4.0761 4.0761 10.2843 10.2843 12.0270 12.0270 13.7530 13.7530 16.8993 16.8993 18.5986 18.5986 19.4993 19.4993 21.9495 21.9495 k = 0.2234 0.5000-0.0000 ( 1420 PWs) bands (ev): -4.0789 -4.0789 -4.0548 -4.0548 -1.7059 -1.7059 -1.5720 -1.5720 -1.4361 -1.4361 0.8325 0.8325 4.1383 4.1383 10.1116 10.1116 11.8258 11.8258 13.7594 13.7594 16.9977 16.9977 18.6661 18.6661 19.5543 19.5543 22.1007 22.1007 k = 0.2340 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0787 -4.0787 -4.0565 -4.0565 -1.7125 -1.7125 -1.5735 -1.5735 -1.4322 -1.4322 0.8904 0.8904 4.2038 4.2038 9.9418 9.9418 11.6244 11.6244 13.7661 13.7661 17.0945 17.0945 18.7333 18.7333 19.6115 19.6115 22.2430 22.2430 k = 0.2447 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0787 -4.0787 -4.0581 -4.0581 -1.7191 -1.7191 -1.5748 -1.5748 -1.4280 -1.4280 0.9492 0.9492 4.2724 4.2724 9.7750 9.7750 11.4231 11.4231 13.7731 13.7731 17.1899 17.1899 18.7999 18.7999 19.6711 19.6711 22.3736 22.3736 k = 0.2553 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0788 -4.0788 -4.0595 -4.0595 -1.7257 -1.7257 -1.5757 -1.5757 -1.4238 -1.4238 1.0087 1.0087 4.3444 4.3444 9.6116 9.6116 11.2222 11.2222 13.7803 13.7803 17.2840 17.2840 18.8656 18.8656 19.7335 19.7335 22.4896 22.4896 k = 0.2660 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0793 -4.0793 -4.0608 -4.0608 -1.7322 -1.7322 -1.5764 -1.5764 -1.4194 -1.4194 1.0689 1.0689 4.4196 4.4196 9.4516 9.4516 11.0220 11.0220 13.7876 13.7876 17.3770 17.3770 18.9302 18.9302 19.7991 19.7991 22.5883 22.5883 k = 0.2766 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0799 -4.0799 -4.0619 -4.0619 -1.7387 -1.7387 -1.5769 -1.5769 -1.4150 -1.4150 1.1294 1.1294 4.4980 4.4980 9.2955 9.2955 10.8227 10.8227 13.7950 13.7950 17.4687 17.4687 18.9934 18.9934 19.8681 19.8681 22.6673 22.6673 k = 0.2872 0.5000-0.0000 ( 1414 PWs) bands (ev): -4.0809 -4.0809 -4.0627 -4.0627 -1.7450 -1.7450 -1.5772 -1.5772 -1.4105 -1.4105 1.1902 1.1902 4.5797 4.5797 9.1433 9.1433 10.6246 10.6246 13.8024 13.8024 17.5592 17.5592 19.0552 19.0552 19.9408 19.9408 22.7251 22.7251 k = 0.2979 0.5000-0.0000 ( 1414 PWs) bands (ev): -4.0821 -4.0821 -4.0633 -4.0633 -1.7511 -1.7511 -1.5772 -1.5772 -1.4060 -1.4060 1.2509 1.2509 4.6647 4.6647 8.9954 8.9954 10.4279 10.4279 13.8098 13.8098 17.6485 17.6485 19.1154 19.1154 20.0173 20.0173 22.7611 22.7611 k = 0.3085 0.5000-0.0000 ( 1410 PWs) bands (ev): -4.0836 -4.0836 -4.0637 -4.0637 -1.7570 -1.7570 -1.5772 -1.5772 -1.4015 -1.4015 1.3114 1.3114 4.7529 4.7529 8.8520 8.8520 10.2329 10.2329 13.8171 13.8171 17.7362 17.7362 19.1741 19.1741 20.0976 20.0976 22.7755 22.7755 k = 0.3191 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0852 -4.0852 -4.0639 -4.0639 -1.7627 -1.7627 -1.5770 -1.5770 -1.3971 -1.3971 1.3714 1.3714 4.8443 4.8443 8.7133 8.7133 10.0396 10.0396 13.8243 13.8243 17.8222 17.8222 19.2314 19.2314 20.1815 20.1815 22.7694 22.7694 k = 0.3298 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0869 -4.0869 -4.0640 -4.0640 -1.7681 -1.7681 -1.5767 -1.5767 -1.3927 -1.3927 1.4306 1.4306 4.9389 4.9389 8.5796 8.5796 9.8483 9.8483 13.8314 13.8314 17.9064 17.9064 19.2874 19.2874 20.2690 20.2690 22.7449 22.7449 k = 0.3404 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0887 -4.0887 -4.0640 -4.0640 -1.7732 -1.7732 -1.5764 -1.5764 -1.3884 -1.3884 1.4888 1.4888 5.0366 5.0366 8.4512 8.4512 9.6593 9.6593 13.8382 13.8382 17.9882 17.9882 19.3423 19.3423 20.3596 20.3596 22.7041 22.7041 k = 0.3511 0.5000-0.0000 ( 1420 PWs) bands (ev): -4.0905 -4.0905 -4.0640 -4.0640 -1.7781 -1.7781 -1.5760 -1.5760 -1.3842 -1.3842 1.5456 1.5456 5.1374 5.1374 8.3285 8.3285 9.4726 9.4726 13.8448 13.8448 18.0674 18.0674 19.3965 19.3965 20.4529 20.4529 22.6497 22.6497 k = 0.3617 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0923 -4.0923 -4.0639 -4.0639 -1.7826 -1.7826 -1.5755 -1.5755 -1.3802 -1.3802 1.6008 1.6008 5.2412 5.2412 8.2116 8.2116 9.2887 9.2887 13.8512 13.8512 18.1436 18.1436 19.4502 19.4502 20.5485 20.5485 22.5842 22.5842 k = 0.3723 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0941 -4.0941 -4.0638 -4.0638 -1.7869 -1.7869 -1.5751 -1.5751 -1.3764 -1.3764 1.6539 1.6539 5.3479 5.3479 8.1009 8.1009 9.1077 9.1077 13.8572 13.8572 18.2163 18.2163 19.5036 19.5036 20.6458 20.6458 22.5101 22.5101 k = 0.3830 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0958 -4.0958 -4.0636 -4.0636 -1.7908 -1.7908 -1.5746 -1.5746 -1.3727 -1.3727 1.7048 1.7048 5.4573 5.4573 7.9967 7.9967 8.9301 8.9301 13.8629 13.8629 18.2849 18.2849 19.5569 19.5569 20.7440 20.7440 22.4297 22.4297 k = 0.3936 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0974 -4.0974 -4.0635 -4.0635 -1.7944 -1.7944 -1.5741 -1.5741 -1.3693 -1.3693 1.7529 1.7529 5.5692 5.5692 7.8993 7.8993 8.7561 8.7561 13.8682 13.8682 18.3491 18.3491 19.6101 19.6101 20.8424 20.8424 22.3452 22.3452 k = 0.4043 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.0989 -4.0989 -4.0634 -4.0634 -1.7977 -1.7977 -1.5736 -1.5736 -1.3662 -1.3662 1.7980 1.7980 5.6834 5.6834 7.8087 7.8087 8.5863 8.5863 13.8731 13.8731 18.4083 18.4083 19.6631 19.6631 20.9399 20.9399 22.2586 22.2586 k = 0.4149 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.1003 -4.1003 -4.0632 -4.0632 -1.8007 -1.8007 -1.5731 -1.5731 -1.3633 -1.3633 1.8396 1.8396 5.7994 5.7994 7.7252 7.7252 8.4215 8.4215 13.8775 13.8775 18.4622 18.4622 19.7156 19.7156 21.0356 21.0356 22.1718 22.1718 k = 0.4255 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.1016 -4.1016 -4.0631 -4.0631 -1.8033 -1.8033 -1.5727 -1.5727 -1.3607 -1.3607 1.8774 1.8774 5.9167 5.9167 7.6485 7.6485 8.2629 8.2629 13.8815 13.8815 18.5103 18.5103 19.7670 19.7670 21.1282 21.1282 22.0866 22.0866 k = 0.4362 0.5000-0.0000 ( 1412 PWs) bands (ev): -4.1027 -4.1027 -4.0630 -4.0630 -1.8055 -1.8055 -1.5723 -1.5723 -1.3584 -1.3584 1.9111 1.9111 6.0344 6.0344 7.5784 7.5784 8.1121 8.1121 13.8850 13.8850 18.5525 18.5525 19.8164 19.8164 21.2162 21.2162 22.0049 22.0049 k = 0.4468 0.5000-0.0000 ( 1412 PWs) bands (ev): -4.1037 -4.1037 -4.0629 -4.0629 -1.8074 -1.8074 -1.5720 -1.5720 -1.3564 -1.3564 1.9402 1.9402 6.1511 6.1511 7.5139 7.5139 7.9719 7.9719 13.8881 13.8881 18.5883 18.5883 19.8626 19.8626 21.2983 21.2983 21.9284 21.9284 k = 0.4574 0.5000-0.0000 ( 1412 PWs) bands (ev): -4.1045 -4.1045 -4.0629 -4.0629 -1.8090 -1.8090 -1.5717 -1.5717 -1.3548 -1.3548 1.9645 1.9645 6.2644 6.2644 7.4532 7.4532 7.8465 7.8465 13.8905 13.8905 18.6178 18.6178 19.9039 19.9039 21.3726 21.3726 21.8587 21.8587 k = 0.4681 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.1051 -4.1051 -4.0628 -4.0628 -1.8102 -1.8102 -1.5715 -1.5715 -1.3535 -1.3535 1.9837 1.9837 6.3705 6.3705 7.3947 7.3947 7.7422 7.7422 13.8925 13.8925 18.6408 18.6408 19.9388 19.9388 21.4378 21.4378 21.7973 21.7973 k = 0.4787 0.5000-0.0000 ( 1416 PWs) bands (ev): -4.1055 -4.1055 -4.0628 -4.0628 -1.8111 -1.8111 -1.5713 -1.5713 -1.3526 -1.3526 1.9976 1.9976 6.4621 6.4621 7.3389 7.3389 7.6656 7.6656 13.8939 13.8939 18.6572 18.6572 19.9655 19.9655 21.4921 21.4921 21.7459 21.7459 k = 0.4894 0.5000-0.0000 ( 1424 PWs) bands (ev): -4.1058 -4.1058 -4.0627 -4.0627 -1.8116 -1.8116 -1.5712 -1.5712 -1.3520 -1.3520 2.0060 2.0060 6.5277 6.5277 7.2943 7.2943 7.6200 7.6200 13.8947 13.8947 18.6671 18.6671 19.9822 19.9822 21.5322 21.5322 21.7076 21.7076 k = 0.5000 0.5000-0.0000 ( 1452 PWs) bands (ev): -4.1059 -4.1059 -4.0627 -4.0627 -1.8118 -1.8118 -1.5712 -1.5712 -1.3518 -1.3518 2.0088 2.0088 6.5521 6.5521 7.2766 7.2766 7.6051 7.6051 13.8950 13.8950 18.6703 18.6703 19.9879 19.9879 21.5485 21.5485 21.6918 21.6918 k = 0.5000 0.5000-0.0000 ( 1452 PWs) bands (ev): -4.1059 -4.1059 -4.0627 -4.0627 -1.8118 -1.8118 -1.5712 -1.5712 -1.3518 -1.3518 2.0088 2.0088 6.5521 6.5521 7.2766 7.2766 7.6051 7.6051 13.8950 13.8950 18.6703 18.6703 19.9879 19.9879 21.5485 21.5485 21.6918 21.6918 k = 0.4924 0.4924-0.0000 ( 1418 PWs) bands (ev): -4.1058 -4.1058 -4.0627 -4.0627 -1.8116 -1.8116 -1.5712 -1.5712 -1.3520 -1.3520 2.0060 2.0060 6.5274 6.5274 7.2943 7.2943 7.6204 7.6204 13.8947 13.8947 18.6670 18.6670 19.9821 19.9821 21.5320 21.5320 21.7078 21.7078 k = 0.4848 0.4848-0.0000 ( 1418 PWs) bands (ev): -4.1055 -4.1055 -4.0628 -4.0628 -1.8111 -1.8111 -1.5713 -1.5713 -1.3526 -1.3526 1.9974 1.9974 6.4624 6.4624 7.3351 7.3351 7.6696 7.6696 13.8939 13.8939 18.6569 18.6569 19.9653 19.9653 21.4921 21.4921 21.7459 21.7459 k = 0.4773 0.4773-0.0000 ( 1414 PWs) bands (ev): -4.1051 -4.1051 -4.0628 -4.0628 -1.8102 -1.8102 -1.5715 -1.5715 -1.3535 -1.3535 1.9831 1.9831 6.3740 6.3740 7.3781 7.3781 7.7565 7.7565 13.8924 13.8924 18.6399 18.6399 19.9391 19.9391 21.4391 21.4391 21.7964 21.7964 k = 0.4697 0.4697-0.0000 ( 1414 PWs) bands (ev): -4.1044 -4.1044 -4.0629 -4.0629 -1.8090 -1.8090 -1.5717 -1.5717 -1.3548 -1.3548 1.9631 1.9631 6.2751 6.2751 7.4139 7.4139 7.8778 7.8778 13.8902 13.8902 18.6155 18.6155 19.9055 19.9055 21.3770 21.3770 21.8555 21.8555 k = 0.4621 0.4621-0.0000 ( 1414 PWs) bands (ev): -4.1036 -4.1036 -4.0629 -4.0629 -1.8074 -1.8074 -1.5720 -1.5720 -1.3565 -1.3565 1.9374 1.9374 6.1734 6.1734 7.4441 7.4441 8.0242 8.0242 13.8873 13.8873 18.5836 18.5836 19.8670 19.8670 21.3081 21.3081 21.9214 21.9214 k = 0.4545 0.4545-0.0000 ( 1414 PWs) bands (ev): -4.1027 -4.1027 -4.0630 -4.0630 -1.8054 -1.8054 -1.5724 -1.5724 -1.3585 -1.3585 1.9059 1.9059 6.0730 6.0730 7.4719 7.4719 8.1880 8.1880 13.8835 13.8835 18.5437 18.5437 19.8260 19.8260 21.2347 21.2347 21.9923 21.9923 k = 0.4470 0.4470-0.0000 ( 1414 PWs) bands (ev): -4.1015 -4.1015 -4.0631 -4.0631 -1.8032 -1.8032 -1.5728 -1.5728 -1.3608 -1.3608 1.8688 1.8688 5.9766 5.9766 7.4998 7.4998 8.3643 8.3643 13.8788 13.8788 18.4957 18.4957 19.7845 19.7845 21.1589 21.1589 22.0665 22.0665 k = 0.4394 0.4394-0.0000 ( 1420 PWs) bands (ev): -4.1002 -4.1002 -4.0633 -4.0633 -1.8006 -1.8006 -1.5733 -1.5733 -1.3634 -1.3634 1.8261 1.8261 5.8856 5.8856 7.5291 7.5291 8.5502 8.5502 13.8730 13.8730 18.4395 18.4395 19.7439 19.7439 21.0828 21.0828 22.1424 22.1424 k = 0.4318 0.4318-0.0000 ( 1420 PWs) bands (ev): -4.0988 -4.0988 -4.0634 -4.0634 -1.7976 -1.7976 -1.5739 -1.5739 -1.3664 -1.3664 1.7779 1.7779 5.8010 5.8010 7.5605 7.5605 8.7438 8.7438 13.8659 13.8659 18.3754 18.3754 19.7052 19.7052 21.0084 21.0084 22.2183 22.2183 k = 0.4242 0.4242-0.0000 ( 1422 PWs) bands (ev): -4.0973 -4.0973 -4.0636 -4.0636 -1.7943 -1.7943 -1.5745 -1.5745 -1.3696 -1.3696 1.7243 1.7243 5.7235 5.7235 7.5943 7.5943 8.9440 8.9440 13.8574 13.8574 18.3037 18.3037 19.6690 19.6690 20.9372 20.9372 22.2929 22.2929 k = 0.4167 0.4167-0.0000 ( 1422 PWs) bands (ev): -4.0956 -4.0956 -4.0638 -4.0638 -1.7908 -1.7908 -1.5752 -1.5752 -1.3731 -1.3731 1.6655 1.6655 5.6534 5.6534 7.6309 7.6309 9.1498 9.1498 13.8474 13.8474 18.2251 18.2251 19.6354 19.6354 20.8709 20.8709 22.3648 22.3648 k = 0.4091 0.4091-0.0000 ( 1418 PWs) bands (ev): -4.0939 -4.0939 -4.0639 -4.0639 -1.7869 -1.7869 -1.5759 -1.5759 -1.3768 -1.3768 1.6017 1.6017 5.5908 5.5908 7.6702 7.6702 9.3608 9.3608 13.8356 13.8356 18.1402 18.1402 19.6042 19.6042 20.8107 20.8107 22.4331 22.4331 k = 0.4015 0.4015-0.0000 ( 1418 PWs) bands (ev): -4.0920 -4.0920 -4.0641 -4.0641 -1.7827 -1.7827 -1.5767 -1.5767 -1.3807 -1.3807 1.5333 1.5333 5.5360 5.5360 7.7124 7.7124 9.5763 9.5763 13.8218 13.8218 18.0500 18.0500 19.5752 19.5752 20.7577 20.7577 22.4966 22.4966 k = 0.3939 0.3939-0.0000 ( 1420 PWs) bands (ev): -4.0901 -4.0901 -4.0644 -4.0644 -1.7782 -1.7782 -1.5775 -1.5775 -1.3848 -1.3848 1.4605 1.4605 5.4887 5.4887 7.7576 7.7576 9.7960 9.7960 13.8059 13.8059 17.9552 17.9552 19.5482 19.5482 20.7124 20.7124 22.5545 22.5545 k = 0.3864 0.3864-0.0000 ( 1416 PWs) bands (ev): -4.0882 -4.0882 -4.0646 -4.0646 -1.7735 -1.7735 -1.5784 -1.5784 -1.3890 -1.3890 1.3837 1.3837 5.4490 5.4490 7.8056 7.8056 10.0195 10.0195 13.7877 13.7877 17.8565 17.8565 19.5229 19.5229 20.6755 20.6755 22.6060 22.6060 k = 0.3788 0.3788-0.0000 ( 1416 PWs) bands (ev): -4.0862 -4.0862 -4.0648 -4.0648 -1.7685 -1.7685 -1.5793 -1.5793 -1.3934 -1.3934 1.3033 1.3033 5.4167 5.4167 7.8564 7.8564 10.2465 10.2465 13.7671 13.7671 17.7548 17.7548 19.4995 19.4995 20.6471 20.6471 22.6502 22.6502 k = 0.3712 0.3712-0.0000 ( 1420 PWs) bands (ev): -4.0842 -4.0842 -4.0651 -4.0651 -1.7632 -1.7632 -1.5802 -1.5802 -1.3978 -1.3978 1.2196 1.2196 5.3916 5.3916 7.9102 7.9102 10.4767 10.4767 13.7439 13.7439 17.6505 17.6505 19.4779 19.4779 20.6271 20.6271 22.6866 22.6866 k = 0.3636 0.3636-0.0000 ( 1420 PWs) bands (ev): -4.0822 -4.0822 -4.0654 -4.0654 -1.7578 -1.7578 -1.5812 -1.5812 -1.4024 -1.4024 1.1331 1.1331 5.3733 5.3733 7.9667 7.9667 10.7099 10.7099 13.7179 13.7179 17.5444 17.5444 19.4587 19.4587 20.6153 20.6153 22.7144 22.7144 k = 0.3561 0.3561-0.0000 ( 1412 PWs) bands (ev): -4.0801 -4.0801 -4.0656 -4.0656 -1.7521 -1.7521 -1.5823 -1.5823 -1.4069 -1.4069 1.0442 1.0442 5.3617 5.3617 8.0259 8.0259 10.9456 10.9456 13.6891 13.6891 17.4368 17.4368 19.4423 19.4423 20.6111 20.6111 22.7328 22.7328 k = 0.3485 0.3485-0.0000 ( 1416 PWs) bands (ev): -4.0782 -4.0782 -4.0659 -4.0659 -1.7463 -1.7463 -1.5833 -1.5833 -1.4114 -1.4114 0.9532 0.9532 5.3565 5.3565 8.0878 8.0878 11.1837 11.1837 13.6574 13.6574 17.3284 17.3284 19.4292 19.4292 20.6141 20.6141 22.7411 22.7411 k = 0.3409 0.3409-0.0000 ( 1416 PWs) bands (ev): -4.0763 -4.0763 -4.0662 -4.0662 -1.7403 -1.7403 -1.5844 -1.5844 -1.4159 -1.4159 0.8607 0.8607 5.3574 5.3574 8.1524 8.1524 11.4237 11.4237 13.6228 13.6228 17.2194 17.2194 19.4199 19.4199 20.6234 20.6234 22.7386 22.7386 k = 0.3333 0.3333-0.0000 ( 1404 PWs) bands (ev): -4.0744 -4.0744 -4.0665 -4.0665 -1.7342 -1.7342 -1.5855 -1.5855 -1.4204 -1.4204 0.7669 0.7669 5.3641 5.3641 8.2194 8.2194 11.6654 11.6654 13.5852 13.5852 17.1104 17.1104 19.4150 19.4150 20.6385 20.6385 22.7246 22.7246 k = 0.3258 0.3258-0.0000 ( 1408 PWs) bands (ev): -4.0726 -4.0726 -4.0668 -4.0668 -1.7280 -1.7280 -1.5867 -1.5867 -1.4247 -1.4247 0.6722 0.6722 5.3764 5.3764 8.2890 8.2890 11.9081 11.9081 13.5447 13.5447 17.0018 17.0018 19.4150 19.4150 20.6586 20.6586 22.6985 22.6985 k = 0.3182 0.3182-0.0000 ( 1408 PWs) bands (ev): -4.0710 -4.0710 -4.0671 -4.0671 -1.7217 -1.7217 -1.5879 -1.5879 -1.4289 -1.4289 0.5770 0.5770 5.3941 5.3941 8.3610 8.3610 12.1514 12.1514 13.5013 13.5013 16.8941 16.8941 19.4202 19.4202 20.6831 20.6831 22.6598 22.6598 k = 0.3106 0.3106-0.0000 ( 1400 PWs) bands (ev): -4.0696 -4.0696 -4.0672 -4.0672 -1.7154 -1.7154 -1.5891 -1.5891 -1.4328 -1.4328 0.4815 0.4815 5.4168 5.4168 8.4353 8.4353 12.3946 12.3946 13.4553 13.4553 16.7879 16.7879 19.4309 19.4309 20.7113 20.7113 22.6083 22.6083 k = 0.3030 0.3030-0.0000 ( 1396 PWs) bands (ev): -4.0688 -4.0688 -4.0668 -4.0668 -1.7091 -1.7091 -1.5902 -1.5902 -1.4366 -1.4366 0.3862 0.3862 5.4444 5.4444 8.5119 8.5119 12.6367 12.6367 13.4068 13.4068 16.6839 16.6839 19.4473 19.4473 20.7426 20.7426 22.5441 22.5441 k = 0.2955 0.2955-0.0000 ( 1400 PWs) bands (ev): -4.0688 -4.0688 -4.0658 -4.0658 -1.7029 -1.7029 -1.5915 -1.5915 -1.4402 -1.4402 0.2911 0.2911 5.4766 5.4766 8.5906 8.5906 12.8764 12.8764 13.3564 13.3564 16.5831 16.5831 19.4696 19.4696 20.7763 20.7763 22.4676 22.4676 k = 0.2879 0.2879-0.0000 ( 1400 PWs) bands (ev): -4.0691 -4.0691 -4.0646 -4.0646 -1.6967 -1.6967 -1.5927 -1.5927 -1.4434 -1.4434 0.1967 0.1967 5.5133 5.5133 8.6714 8.6714 13.1099 13.1099 13.3064 13.3064 16.4869 16.4869 19.4977 19.4977 20.8119 20.8119 22.3795 22.3795 k = 0.2803 0.2803-0.0000 ( 1406 PWs) bands (ev): -4.0694 -4.0694 -4.0635 -4.0635 -1.6907 -1.6907 -1.5939 -1.5939 -1.4463 -1.4463 0.1031 0.1031 5.5544 5.5544 8.7541 8.7541 13.2343 13.2343 13.3578 13.3578 16.3970 16.3970 19.5316 19.5316 20.8487 20.8487 22.2810 22.2810 k = 0.2727 0.2727-0.0000 ( 1410 PWs) bands (ev): -4.0698 -4.0698 -4.0626 -4.0626 -1.6848 -1.6848 -1.5951 -1.5951 -1.4489 -1.4489 0.0106 0.0106 5.5995 5.5995 8.8387 8.8387 13.1839 13.1839 13.5740 13.5740 16.3162 16.3162 19.5711 19.5711 20.8860 20.8860 22.1734 22.1734 k = 0.2652 0.2652-0.0000 ( 1410 PWs) bands (ev): -4.0702 -4.0702 -4.0617 -4.0617 -1.6792 -1.6792 -1.5963 -1.5963 -1.4511 -1.4511 -0.0807 -0.0807 5.6486 5.6486 8.9250 8.9250 13.1259 13.1259 13.7838 13.7838 16.2482 16.2482 19.6160 19.6160 20.9233 20.9233 22.0582 22.0582 k = 0.2576 0.2576-0.0000 ( 1410 PWs) bands (ev): -4.0706 -4.0706 -4.0610 -4.0610 -1.6738 -1.6738 -1.5975 -1.5975 -1.4528 -1.4528 -0.1706 -0.1706 5.7016 5.7016 9.0130 9.0130 13.0657 13.0657 13.9766 13.9766 16.1982 16.1982 19.6659 19.6659 20.9598 20.9598 21.9371 21.9371 k = 0.2500 0.2500-0.0000 ( 1408 PWs) bands (ev): -4.0711 -4.0711 -4.0604 -4.0604 -1.6687 -1.6687 -1.5987 -1.5987 -1.4542 -1.4542 -0.2589 -0.2589 5.7582 5.7582 9.1025 9.1025 13.0043 13.0043 14.1445 14.1445 16.1733 16.1733 19.7203 19.7203 20.9948 20.9948 21.8117 21.8117 k = 0.2424 0.2424-0.0000 ( 1412 PWs) bands (ev): -4.0715 -4.0715 -4.0600 -4.0600 -1.6640 -1.6640 -1.5999 -1.5999 -1.4550 -1.4550 -0.3454 -0.3454 5.8184 5.8184 9.1933 9.1933 12.9418 12.9418 14.2790 14.2790 16.1816 16.1816 19.7787 19.7787 21.0274 21.0274 21.6837 21.6837 k = 0.2348 0.2348-0.0000 ( 1416 PWs) bands (ev): -4.0719 -4.0719 -4.0597 -4.0597 -1.6597 -1.6597 -1.6011 -1.6011 -1.4554 -1.4554 -0.4301 -0.4301 5.8820 5.8820 9.2854 9.2854 12.8787 12.8787 14.3725 14.3725 16.2302 16.2302 19.8403 19.8403 21.0566 21.0566 21.5549 21.5549 k = 0.2273 0.2273-0.0000 ( 1412 PWs) bands (ev): -4.0724 -4.0724 -4.0596 -4.0596 -1.6557 -1.6557 -1.6022 -1.6022 -1.4554 -1.4554 -0.5127 -0.5127 5.9490 5.9490 9.3786 9.3786 12.8153 12.8153 14.4216 14.4216 16.3223 16.3223 19.9039 19.9039 21.0816 21.0816 21.4274 21.4274 k = 0.2197 0.2197-0.0000 ( 1412 PWs) bands (ev): -4.0728 -4.0728 -4.0596 -4.0596 -1.6522 -1.6522 -1.6034 -1.6034 -1.4549 -1.4549 -0.5932 -0.5932 6.0191 6.0191 9.4727 9.4727 12.7517 12.7517 14.4287 14.4287 16.4550 16.4550 19.9681 19.9681 21.1002 21.1002 21.3041 21.3041 k = 0.2121 0.2121-0.0000 ( 1404 PWs) bands (ev): -4.0733 -4.0733 -4.0598 -4.0598 -1.6491 -1.6491 -1.6045 -1.6045 -1.4540 -1.4540 -0.6714 -0.6714 6.0923 6.0923 9.5676 9.5676 12.6883 12.6883 14.4005 14.4005 16.6210 16.6210 20.0307 20.0307 21.1031 21.1031 21.1961 21.1961 k = 0.2045 0.2045-0.0000 ( 1404 PWs) bands (ev): -4.0737 -4.0737 -4.0601 -4.0601 -1.6464 -1.6464 -1.6056 -1.6056 -1.4527 -1.4527 -0.7472 -0.7472 6.1684 6.1684 9.6630 9.6630 12.6253 12.6253 14.3452 14.3452 16.8119 16.8119 20.0885 20.0885 21.0402 21.0402 21.1562 21.1562 k = 0.1970 0.1970-0.0000 ( 1404 PWs) bands (ev): -4.0742 -4.0742 -4.0605 -4.0605 -1.6442 -1.6442 -1.6066 -1.6066 -1.4512 -1.4512 -0.8205 -0.8205 6.2474 6.2474 9.7587 9.7587 12.5630 12.5630 14.2697 14.2697 17.0198 17.0198 20.1367 20.1367 20.9409 20.9409 21.1591 21.1591 k = 0.1894 0.1894-0.0000 ( 1410 PWs) bands (ev): -4.0746 -4.0746 -4.0610 -4.0610 -1.6425 -1.6425 -1.6076 -1.6076 -1.4494 -1.4494 -0.8911 -0.8911 6.3290 6.3290 9.8546 9.8546 12.5015 12.5015 14.1797 14.1797 17.2387 17.2387 20.1694 20.1694 20.8470 20.8470 21.1688 21.1688 k = 0.1818 0.1818-0.0000 ( 1410 PWs) bands (ev): -4.0751 -4.0751 -4.0617 -4.0617 -1.6411 -1.6411 -1.6086 -1.6086 -1.4476 -1.4476 -0.9589 -0.9589 6.4132 6.4132 9.9504 9.9504 12.4412 12.4412 14.0789 14.0789 17.4637 17.4637 20.1797 20.1797 20.7651 20.7651 21.1860 21.1860 k = 0.1742 0.1742-0.0000 ( 1412 PWs) bands (ev): -4.0756 -4.0756 -4.0624 -4.0624 -1.6401 -1.6401 -1.6096 -1.6096 -1.4459 -1.4459 -1.0237 -1.0237 6.4997 6.4997 10.0457 10.0457 12.3822 12.3822 13.9703 13.9703 17.6910 17.6910 20.1636 20.1636 20.6947 20.6947 21.2161 21.2161 k = 0.1667 0.1667-0.0000 ( 1412 PWs) bands (ev): -4.0760 -4.0760 -4.0633 -4.0633 -1.6395 -1.6395 -1.6105 -1.6105 -1.4446 -1.4446 -1.0852 -1.0852 6.5885 6.5885 10.1404 10.1404 12.3247 12.3247 13.8559 13.8559 17.9173 17.9173 20.1234 20.1234 20.6304 20.6304 21.2639 21.2639 k = 0.1591 0.1591-0.0000 ( 1412 PWs) bands (ev): -4.0765 -4.0765 -4.0642 -4.0642 -1.6394 -1.6394 -1.6113 -1.6113 -1.4439 -1.4439 -1.1430 -1.1430 6.6793 6.6793 10.2340 10.2340 12.2691 12.2691 13.7373 13.7373 18.1395 18.1395 20.0663 20.0663 20.5653 20.5653 21.3317 21.3317 k = 0.1515 0.1515-0.0000 ( 1408 PWs) bands (ev): -4.0769 -4.0769 -4.0652 -4.0652 -1.6396 -1.6396 -1.6122 -1.6122 -1.4447 -1.4447 -1.1964 -1.1964 6.7719 6.7719 10.3262 10.3262 12.2155 12.2155 13.6156 13.6156 18.3541 18.3541 20.0006 20.0006 20.4954 20.4954 21.4185 21.4185 k = 0.1439 0.1439-0.0000 ( 1404 PWs) bands (ev): -4.0773 -4.0773 -4.0663 -4.0663 -1.6403 -1.6403 -1.6129 -1.6129 -1.4477 -1.4477 -1.2445 -1.2445 6.8662 6.8662 10.4165 10.4165 12.1641 12.1641 13.4920 13.4920 18.5571 18.5571 19.9328 19.9328 20.4209 20.4209 21.5220 21.5220 k = 0.1364 0.1364-0.0000 ( 1408 PWs) bands (ev): -4.0777 -4.0777 -4.0674 -4.0674 -1.6415 -1.6415 -1.6137 -1.6137 -1.4546 -1.4546 -1.2856 -1.2856 6.9618 6.9618 10.5044 10.5044 12.1153 12.1153 13.3672 13.3672 18.7435 18.7435 19.8680 19.8680 20.3449 20.3449 21.6397 21.6397 k = 0.1288 0.1288-0.0000 ( 1408 PWs) bands (ev): -4.0782 -4.0782 -4.0685 -4.0685 -1.6433 -1.6433 -1.6144 -1.6144 -1.4673 -1.4673 -1.3175 -1.3175 7.0584 7.0584 10.5894 10.5894 12.0693 12.0693 13.2421 13.2421 18.9060 18.9060 19.8098 19.8098 20.2735 20.2735 21.7695 21.7695 k = 0.1212 0.1212-0.0000 ( 1404 PWs) bands (ev): -4.0786 -4.0786 -4.0697 -4.0697 -1.6461 -1.6461 -1.6151 -1.6151 -1.4867 -1.4867 -1.3391 -1.3391 7.1559 7.1559 10.6709 10.6709 12.0264 12.0264 13.1174 13.1174 19.0356 19.0356 19.7594 19.7594 20.2165 20.2165 21.9097 21.9097 k = 0.1136 0.1136-0.0000 ( 1404 PWs) bands (ev): -4.0789 -4.0789 -4.0709 -4.0709 -1.6503 -1.6503 -1.6157 -1.6157 -1.5112 -1.5112 -1.3517 -1.3517 7.2537 7.2537 10.7479 10.7479 11.9871 11.9871 12.9941 12.9941 19.1234 19.1234 19.7132 19.7132 20.1879 20.1879 22.0590 22.0590 k = 0.1061 0.1061-0.0000 ( 1404 PWs) bands (ev): -4.0793 -4.0793 -4.0721 -4.0721 -1.6566 -1.6566 -1.6162 -1.6162 -1.5370 -1.5370 -1.3581 -1.3581 7.3515 7.3515 10.8198 10.8198 11.9517 11.9517 12.8728 12.8728 19.1674 19.1674 19.6618 19.6618 20.2002 20.2002 22.2159 22.2159 k = 0.0985 0.0985-0.0000 ( 1396 PWs) bands (ev): -4.0797 -4.0797 -4.0732 -4.0732 -1.6661 -1.6661 -1.6168 -1.6168 -1.5606 -1.5606 -1.3609 -1.3609 7.4488 7.4488 10.8854 10.8854 11.9208 11.9208 12.7544 12.7544 19.1758 19.1758 19.5985 19.5985 20.2529 20.2529 22.3792 22.3792 k = 0.0909 0.0909-0.0000 ( 1390 PWs) bands (ev): -4.0800 -4.0800 -4.0744 -4.0744 -1.6797 -1.6797 -1.6172 -1.6172 -1.5794 -1.5794 -1.3616 -1.3616 7.5450 7.5450 10.9437 10.9437 11.8949 11.8949 12.6400 12.6400 19.1617 19.1617 19.5249 19.5249 20.3324 20.3324 22.5472 22.5472 k = 0.0833 0.0833-0.0000 ( 1390 PWs) bands (ev): -4.0803 -4.0803 -4.0755 -4.0755 -1.6973 -1.6973 -1.6177 -1.6177 -1.5928 -1.5928 -1.3612 -1.3612 7.6396 7.6396 10.9936 10.9936 11.8746 11.8746 12.5305 12.5305 19.1355 19.1355 19.4458 19.4458 20.4243 20.4243 22.7180 22.7180 k = 0.0758 0.0758-0.0000 ( 1382 PWs) bands (ev): -4.0806 -4.0806 -4.0765 -4.0765 -1.7174 -1.7174 -1.6181 -1.6181 -1.6016 -1.6016 -1.3601 -1.3601 7.7316 7.7316 11.0341 11.0341 11.8603 11.8603 12.4270 12.4270 19.1041 19.1041 19.3658 19.3658 20.5183 20.5183 22.8892 22.8892 k = 0.0682 0.0682-0.0000 ( 1381 PWs) bands (ev): -4.0809 -4.0809 -4.0775 -4.0775 -1.7382 -1.7382 -1.6184 -1.6184 -1.6074 -1.6074 -1.3588 -1.3588 7.8204 7.8204 11.0644 11.0644 11.8523 11.8523 12.3306 12.3306 19.0713 19.0713 19.2878 19.2878 20.6088 20.6088 23.0584 23.0584 k = 0.0606 0.0606-0.0000 ( 1381 PWs) bands (ev): -4.0811 -4.0811 -4.0784 -4.0784 -1.7584 -1.7584 -1.6188 -1.6188 -1.6113 -1.6113 -1.3572 -1.3572 7.9049 7.9049 11.0844 11.0844 11.8503 11.8503 12.2423 12.2423 19.0394 19.0394 19.2140 19.2140 20.6924 20.6924 23.2228 23.2228 k = 0.0530 0.0530-0.0000 ( 1377 PWs) bands (ev): -4.0813 -4.0813 -4.0792 -4.0792 -1.7771 -1.7771 -1.6190 -1.6190 -1.6140 -1.6140 -1.3557 -1.3557 7.9840 7.9840 11.0946 11.0946 11.8535 11.8535 12.1633 12.1633 19.0098 19.0098 19.1460 19.1460 20.7675 20.7675 23.3791 23.3791 k = 0.0455 0.0455-0.0000 ( 1373 PWs) bands (ev): -4.0815 -4.0815 -4.0799 -4.0799 -1.7938 -1.7938 -1.6193 -1.6193 -1.6159 -1.6159 -1.3543 -1.3543 8.0566 8.0566 11.0964 11.0964 11.8607 11.8607 12.0943 12.0943 18.9832 18.9832 19.0850 19.0850 20.8330 20.8330 23.5242 23.5242 k = 0.0379 0.0379-0.0000 ( 1373 PWs) bands (ev): -4.0817 -4.0817 -4.0806 -4.0806 -1.8083 -1.8083 -1.6195 -1.6195 -1.6173 -1.6173 -1.3530 -1.3530 8.1212 8.1212 11.0918 11.0918 11.8703 11.8703 12.0358 12.0358 18.9601 18.9601 19.0319 19.0319 20.8885 20.8885 23.6547 23.6547 k = 0.0303 0.0303-0.0000 ( 1373 PWs) bands (ev): -4.0818 -4.0818 -4.0811 -4.0811 -1.8203 -1.8203 -1.6196 -1.6196 -1.6183 -1.6183 -1.3519 -1.3519 8.1766 8.1766 11.0831 11.0831 11.8807 11.8807 11.9882 11.9882 18.9410 18.9410 18.9875 18.9875 20.9340 20.9340 23.7672 23.7672 k = 0.0227 0.0227-0.0000 ( 1365 PWs) bands (ev): -4.0819 -4.0819 -4.0815 -4.0815 -1.8297 -1.8297 -1.6198 -1.6198 -1.6191 -1.6191 -1.3510 -1.3510 8.2215 8.2215 11.0730 11.0730 11.8905 11.8905 11.9516 11.9516 18.9259 18.9259 18.9523 18.9523 20.9693 20.9693 23.8586 23.8586 k = 0.0152 0.0152-0.0000 ( 1365 PWs) bands (ev): -4.0820 -4.0820 -4.0818 -4.0818 -1.8365 -1.8365 -1.6198 -1.6198 -1.6195 -1.6195 -1.3503 -1.3503 8.2545 8.2545 11.0638 11.0638 11.8983 11.8983 11.9256 11.9256 18.9150 18.9150 18.9269 18.9269 20.9945 20.9945 23.9261 23.9262 k = 0.0076 0.0076-0.0000 ( 1365 PWs) bands (ev): -4.0821 -4.0821 -4.0820 -4.0820 -1.8406 -1.8406 -1.6199 -1.6199 -1.6198 -1.6198 -1.3499 -1.3499 8.2748 8.2748 11.0574 11.0574 11.9033 11.9033 11.9102 11.9102 18.9085 18.9085 18.9115 18.9115 21.0096 21.0096 23.9676 23.9676 k = 0.0000 0.0000 0.0000 ( 1365 PWs) bands (ev): -4.0821 -4.0821 -4.0821 -4.0821 -1.8420 -1.8420 -1.6199 -1.6199 -1.6199 -1.6199 -1.3498 -1.3498 8.2816 8.2816 11.0551 11.0551 11.9050 11.9050 11.9050 11.9050 18.9063 18.9063 18.9063 18.9063 21.0146 21.0146 23.9816 23.9816 k = 0.0000 0.0000 0.0000 ( 1365 PWs) bands (ev): -4.0821 -4.0821 -4.0821 -4.0821 -1.8420 -1.8420 -1.6199 -1.6199 -1.6199 -1.6199 -1.3498 -1.3498 8.2816 8.2816 11.0551 11.0551 11.9050 11.9050 11.9050 11.9050 18.9063 18.9063 18.9063 18.9063 21.0146 21.0146 23.9816 23.9816 k = 0.0062 0.0062 0.0062 ( 1365 PWs) bands (ev): -4.0820 -4.0820 -4.0820 -4.0820 -1.8406 -1.8406 -1.6199 -1.6199 -1.6198 -1.6198 -1.3499 -1.3499 8.2748 8.2748 11.0574 11.0574 11.9028 11.9028 11.9107 11.9107 18.9098 18.9098 18.9102 18.9102 21.0096 21.0096 23.9669 23.9670 k = 0.0123 0.0123 0.0123 ( 1365 PWs) bands (ev): -4.0819 -4.0819 -4.0819 -4.0819 -1.8365 -1.8365 -1.6198 -1.6198 -1.6196 -1.6196 -1.3503 -1.3503 8.2547 8.2547 11.0636 11.0636 11.8960 11.8960 11.9279 11.9279 18.9201 18.9201 18.9217 18.9217 20.9945 20.9945 23.9238 23.9238 k = 0.0185 0.0185 0.0185 ( 1365 PWs) bands (ev): -4.0818 -4.0818 -4.0817 -4.0817 -1.8298 -1.8298 -1.6196 -1.6196 -1.6192 -1.6192 -1.3510 -1.3510 8.2220 8.2220 11.0722 11.0722 11.8847 11.8847 11.9576 11.9576 18.9372 18.9372 18.9409 18.9409 20.9692 20.9692 23.8543 23.8543 k = 0.0247 0.0247 0.0247 ( 1370 PWs) bands (ev): -4.0816 -4.0816 -4.0814 -4.0814 -1.8204 -1.8204 -1.6193 -1.6193 -1.6186 -1.6186 -1.3519 -1.3519 8.1778 8.1778 11.0810 11.0810 11.8691 11.8691 12.0008 12.0008 18.9608 18.9608 18.9676 18.9676 20.9335 20.9335 23.7616 23.7616 k = 0.0309 0.0309 0.0309 ( 1370 PWs) bands (ev): -4.0813 -4.0813 -4.0810 -4.0810 -1.8085 -1.8085 -1.6188 -1.6188 -1.6179 -1.6179 -1.3529 -1.3529 8.1236 8.1236 11.0878 11.0878 11.8493 11.8493 12.0584 12.0584 18.9908 18.9908 19.0016 19.0016 20.8872 20.8872 23.6495 23.6495 k = 0.0370 0.0370 0.0370 ( 1379 PWs) bands (ev): -4.0809 -4.0809 -4.0805 -4.0805 -1.7943 -1.7943 -1.6180 -1.6180 -1.6170 -1.6170 -1.3542 -1.3542 8.0608 8.0608 11.0906 11.0906 11.8253 11.8253 12.1309 12.1309 19.0266 19.0266 19.0429 19.0429 20.8299 20.8299 23.5219 23.5219 k = 0.0432 0.0432 0.0432 ( 1379 PWs) bands (ev): -4.0805 -4.0805 -4.0800 -4.0800 -1.7778 -1.7778 -1.6167 -1.6167 -1.6160 -1.6160 -1.3556 -1.3556 7.9909 7.9909 11.0882 11.0882 11.7975 11.7975 12.2182 12.2182 19.0679 19.0679 19.0910 19.0910 20.7615 20.7615 23.3826 23.3826 k = 0.0494 0.0494 0.0494 ( 1385 PWs) bands (ev): -4.0801 -4.0801 -4.0794 -4.0794 -1.7596 -1.7596 -1.6148 -1.6148 -1.6146 -1.6146 -1.3570 -1.3570 7.9153 7.9153 11.0799 11.0799 11.7661 11.7661 12.3196 12.3196 19.1139 19.1139 19.1458 19.1458 20.6821 20.6821 23.2352 23.2352 k = 0.0556 0.0556 0.0556 ( 1385 PWs) bands (ev): -4.0796 -4.0796 -4.0788 -4.0788 -1.7402 -1.7402 -1.6134 -1.6134 -1.6113 -1.6113 -1.3583 -1.3583 7.8353 7.8353 11.0657 11.0657 11.7312 11.7312 12.4339 12.4339 19.1635 19.1635 19.2069 19.2069 20.5921 20.5921 23.0825 23.0825 k = 0.0617 0.0617 0.0617 ( 1391 PWs) bands (ev): -4.0790 -4.0790 -4.0781 -4.0781 -1.7205 -1.7205 -1.6119 -1.6119 -1.6059 -1.6059 -1.3593 -1.3593 7.7519 7.7519 11.0459 11.0459 11.6932 11.6932 12.5595 12.5595 19.2155 19.2155 19.2740 19.2740 20.4926 20.4926 22.9272 22.9272 k = 0.0679 0.0679 0.0679 ( 1388 PWs) bands (ev): -4.0784 -4.0784 -4.0774 -4.0774 -1.7022 -1.7022 -1.6103 -1.6103 -1.5971 -1.5971 -1.3599 -1.3599 7.6663 7.6663 11.0211 11.0211 11.6523 11.6523 12.6951 12.6951 19.2674 19.2674 19.3468 19.3468 20.3854 20.3854 22.7712 22.7712 k = 0.0741 0.0741 0.0741 ( 1391 PWs) bands (ev): -4.0777 -4.0777 -4.0766 -4.0766 -1.6869 -1.6869 -1.6084 -1.6084 -1.5837 -1.5837 -1.3595 -1.3595 7.5792 7.5792 10.9918 10.9918 11.6088 11.6088 12.8390 12.8390 19.3157 19.3157 19.4246 19.4246 20.2744 20.2744 22.6162 22.6162 k = 0.0802 0.0802 0.0802 ( 1391 PWs) bands (ev): -4.0770 -4.0770 -4.0758 -4.0758 -1.6757 -1.6757 -1.6065 -1.6065 -1.5652 -1.5652 -1.3575 -1.3575 7.4913 7.4913 10.9586 10.9586 11.5629 11.5629 12.9900 12.9900 19.3536 19.3536 19.5071 19.5071 20.1660 20.1660 22.4634 22.4634 k = 0.0864 0.0864 0.0864 ( 1391 PWs) bands (ev): -4.0763 -4.0763 -4.0751 -4.0751 -1.6684 -1.6684 -1.6044 -1.6044 -1.5429 -1.5429 -1.3528 -1.3528 7.4032 7.4032 10.9221 10.9221 11.5149 11.5149 13.1467 13.1467 19.3699 19.3699 19.5937 19.5937 20.0719 20.0719 22.3140 22.3140 k = 0.0926 0.0926 0.0926 ( 1391 PWs) bands (ev): -4.0755 -4.0755 -4.0743 -4.0743 -1.6640 -1.6640 -1.6021 -1.6021 -1.5196 -1.5196 -1.3437 -1.3437 7.3154 7.3154 10.8828 10.8828 11.4651 11.4651 13.3078 13.3078 19.3488 19.3488 19.6836 19.6836 20.0079 20.0079 22.1692 22.1692 k = 0.0988 0.0988 0.0988 ( 1397 PWs) bands (ev): -4.0747 -4.0747 -4.0735 -4.0735 -1.6614 -1.6614 -1.5997 -1.5997 -1.4986 -1.4986 -1.3278 -1.3278 7.2284 7.2284 10.8410 10.8410 11.4137 11.4137 13.4721 13.4721 19.2797 19.2797 19.7760 19.7760 19.9846 19.9846 22.0305 22.0305 k = 0.1049 0.1049 0.1049 ( 1397 PWs) bands (ev): -4.0738 -4.0738 -4.0727 -4.0727 -1.6601 -1.6601 -1.5972 -1.5972 -1.4827 -1.4827 -1.3031 -1.3031 7.1426 7.1426 10.7973 10.7973 11.3611 11.3611 13.6382 13.6382 19.1681 19.1681 19.8698 19.8698 19.9958 19.9958 21.8997 21.8997 k = 0.1111 0.1111 0.1111 ( 1397 PWs) bands (ev): -4.0729 -4.0729 -4.0720 -4.0720 -1.6595 -1.6595 -1.5945 -1.5945 -1.4726 -1.4726 -1.2691 -1.2691 7.0581 7.0581 10.7520 10.7520 11.3075 11.3075 13.8047 13.8047 19.0287 19.0287 19.9635 19.9635 20.0255 20.0255 21.7799 21.7799 k = 0.1173 0.1173 0.1173 ( 1400 PWs) bands (ev): -4.0720 -4.0720 -4.0713 -4.0713 -1.6594 -1.6594 -1.5916 -1.5916 -1.4675 -1.4675 -1.2271 -1.2271 6.9753 6.9753 10.7054 10.7054 11.2531 11.2531 13.9699 13.9699 18.8740 18.8740 20.0552 20.0552 20.0591 20.0591 21.6752 21.6752 k = 0.1235 0.1235 0.1235 ( 1400 PWs) bands (ev): -4.0711 -4.0711 -4.0706 -4.0706 -1.6597 -1.6597 -1.5887 -1.5887 -1.4660 -1.4660 -1.1786 -1.1786 6.8945 6.8945 10.6578 10.6578 11.1981 11.1981 14.1322 14.1322 18.7124 18.7124 20.0847 20.0847 20.1422 20.1422 21.5909 21.5909 k = 0.1296 0.1296 0.1296 ( 1406 PWs) bands (ev): -4.0701 -4.0701 -4.0700 -4.0700 -1.6602 -1.6602 -1.5856 -1.5856 -1.4668 -1.4668 -1.1250 -1.1250 6.8157 6.8157 10.6095 10.6095 11.1428 11.1428 14.2893 14.2893 18.5497 18.5497 20.0931 20.0931 20.2206 20.2206 21.5333 21.5333 k = 0.1358 0.1358 0.1358 ( 1406 PWs) bands (ev): -4.0694 -4.0694 -4.0691 -4.0691 -1.6608 -1.6608 -1.5824 -1.5824 -1.4693 -1.4693 -1.0670 -1.0670 6.7391 6.7391 10.5608 10.5608 11.0874 11.0874 14.4384 14.4384 18.3905 18.3905 20.0771 20.0771 20.2854 20.2854 21.5076 21.5076 k = 0.1420 0.1420 0.1420 ( 1412 PWs) bands (ev): -4.0689 -4.0689 -4.0682 -4.0682 -1.6616 -1.6616 -1.5791 -1.5791 -1.4728 -1.4728 -1.0054 -1.0054 6.6650 6.6650 10.5120 10.5120 11.0321 11.0321 14.5765 14.5765 18.2391 18.2391 20.0338 20.0338 20.3298 20.3298 21.5161 21.5161 k = 0.1481 0.1481 0.1481 ( 1412 PWs) bands (ev): -4.0684 -4.0684 -4.0672 -4.0672 -1.6624 -1.6624 -1.5757 -1.5757 -1.4771 -1.4771 -0.9404 -0.9404 6.5933 6.5933 10.4632 10.4632 10.9771 10.9771 14.6996 14.6996 18.0998 18.0998 19.9650 19.9650 20.3462 20.3462 21.5569 21.5569 k = 0.1543 0.1543 0.1543 ( 1412 PWs) bands (ev): -4.0681 -4.0681 -4.0662 -4.0662 -1.6632 -1.6632 -1.5721 -1.5721 -1.4819 -1.4819 -0.8724 -0.8724 6.5243 6.5243 10.4146 10.4146 10.9225 10.9225 14.8033 14.8033 17.9768 17.9768 19.8755 19.8755 20.3286 20.3286 21.6256 21.6256 k = 0.1605 0.1605 0.1605 ( 1400 PWs) bands (ev): -4.0677 -4.0677 -4.0652 -4.0652 -1.6641 -1.6641 -1.5684 -1.5684 -1.4871 -1.4871 -0.8016 -0.8016 6.4580 6.4580 10.3665 10.3665 10.8686 10.8686 14.8828 14.8828 17.8741 17.8741 19.7719 19.7719 20.2747 20.2747 21.7166 21.7166 k = 0.1667 0.1667 0.1667 ( 1400 PWs) bands (ev): -4.0674 -4.0674 -4.0642 -4.0642 -1.6649 -1.6649 -1.5647 -1.5647 -1.4926 -1.4926 -0.7282 -0.7282 6.3945 6.3945 10.3190 10.3190 10.8155 10.8155 14.9336 14.9336 17.7950 17.7950 19.6605 19.6605 20.1873 20.1873 21.8250 21.8250 k = 0.1728 0.1728 0.1728 ( 1400 PWs) bands (ev): -4.0672 -4.0672 -4.0633 -4.0633 -1.6658 -1.6658 -1.5608 -1.5608 -1.4981 -1.4981 -0.6522 -0.6522 6.3338 6.3338 10.2723 10.2723 10.7634 10.7634 14.9523 14.9523 17.7404 17.7404 19.5475 19.5475 20.0725 20.0725 21.9471 21.9471 k = 0.1790 0.1790 0.1790 ( 1406 PWs) bands (ev): -4.0671 -4.0671 -4.0623 -4.0623 -1.6666 -1.6666 -1.5568 -1.5568 -1.5038 -1.5038 -0.5740 -0.5740 6.2761 6.2761 10.2265 10.2265 10.7123 10.7123 14.9375 14.9375 17.7083 17.7083 19.4389 19.4389 19.9368 19.9368 22.0801 22.0801 k = 0.1852 0.1852 0.1852 ( 1412 PWs) bands (ev): -4.0670 -4.0670 -4.0614 -4.0614 -1.6674 -1.6674 -1.5528 -1.5528 -1.5094 -1.5094 -0.4936 -0.4936 6.2215 6.2215 10.1819 10.1819 10.6625 10.6625 14.8904 14.8904 17.6928 17.6928 19.3416 19.3416 19.7860 19.7860 22.2219 22.2219 k = 0.1914 0.1914 0.1914 ( 1406 PWs) bands (ev): -4.0670 -4.0670 -4.0605 -4.0605 -1.6682 -1.6682 -1.5487 -1.5487 -1.5150 -1.5150 -0.4111 -0.4111 6.1700 6.1700 10.1384 10.1384 10.6140 10.6140 14.8142 14.8142 17.6842 17.6842 19.2631 19.2631 19.6246 19.6246 22.3710 22.3710 k = 0.1975 0.1975 0.1975 ( 1412 PWs) bands (ev): -4.0671 -4.0671 -4.0596 -4.0596 -1.6691 -1.6691 -1.5445 -1.5445 -1.5205 -1.5205 -0.3268 -0.3268 6.1217 6.1217 10.0963 10.0963 10.5670 10.5670 14.7134 14.7134 17.6707 17.6707 19.2112 19.2112 19.4555 19.4555 22.5265 22.5265 k = 0.2037 0.2037 0.2037 ( 1412 PWs) bands (ev): -4.0672 -4.0672 -4.0587 -4.0587 -1.6699 -1.6699 -1.5402 -1.5402 -1.5257 -1.5257 -0.2407 -0.2407 6.0766 6.0766 10.0557 10.0557 10.5217 10.5217 14.5929 14.5929 17.6411 17.6411 19.1926 19.1926 19.2813 19.2813 22.6874 22.6874 k = 0.2099 0.2099 0.2099 ( 1418 PWs) bands (ev): -4.0673 -4.0673 -4.0579 -4.0579 -1.6709 -1.6709 -1.5358 -1.5358 -1.5307 -1.5307 -0.1530 -0.1530 6.0350 6.0350 10.0167 10.0167 10.4780 10.4780 14.4571 14.4571 17.5880 17.5880 19.1034 19.1034 19.2100 19.2100 22.8532 22.8532 k = 0.2160 0.2160 0.2160 ( 1418 PWs) bands (ev): -4.0675 -4.0675 -4.0571 -4.0571 -1.6719 -1.6719 -1.5353 -1.5353 -1.5314 -1.5314 -0.0640 -0.0640 5.9968 5.9968 9.9794 9.9794 10.4361 10.4361 14.3100 14.3100 17.5094 17.5094 18.9231 18.9231 19.2606 19.2606 23.0235 23.0235 k = 0.2222 0.2222 0.2222 ( 1415 PWs) bands (ev): -4.0678 -4.0678 -4.0563 -4.0563 -1.6730 -1.6730 -1.5396 -1.5396 -1.5270 -1.5270 0.0263 0.0263 5.9622 5.9622 9.9438 9.9438 10.3961 10.3961 14.1547 14.1547 17.4079 17.4079 18.7412 18.7412 19.3380 19.3380 23.1978 23.1978 k = 0.2284 0.2284 0.2284 ( 1415 PWs) bands (ev): -4.0680 -4.0680 -4.0556 -4.0556 -1.6743 -1.6743 -1.5434 -1.5434 -1.5225 -1.5225 0.1176 0.1176 5.9314 5.9314 9.9102 9.9102 10.3580 10.3580 13.9938 13.9938 17.2880 17.2880 18.5585 18.5585 19.4336 19.4336 23.3757 23.3757 k = 0.2346 0.2346 0.2346 ( 1421 PWs) bands (ev): -4.0683 -4.0683 -4.0549 -4.0549 -1.6758 -1.6758 -1.5466 -1.5466 -1.5179 -1.5179 0.2097 0.2097 5.9044 5.9044 9.8784 9.8784 10.3221 10.3221 13.8292 13.8292 17.1542 17.1542 18.3755 18.3755 19.5389 19.5389 23.5572 23.5573 k = 0.2407 0.2407 0.2407 ( 1415 PWs) bands (ev): -4.0686 -4.0686 -4.0543 -4.0543 -1.6775 -1.6775 -1.5492 -1.5492 -1.5133 -1.5133 0.3024 0.3024 5.8814 5.8814 9.8487 9.8487 10.2882 10.2882 13.6626 13.6626 17.0104 17.0104 18.1926 18.1926 19.6463 19.6463 23.7420 23.7420 k = 0.2469 0.2469 0.2469 ( 1412 PWs) bands (ev): -4.0689 -4.0689 -4.0537 -4.0537 -1.6795 -1.6795 -1.5512 -1.5512 -1.5087 -1.5087 0.3954 0.3954 5.8625 5.8625 9.8212 9.8212 10.2565 10.2565 13.4950 13.4950 16.8595 16.8595 18.0102 18.0102 19.7487 19.7487 23.9298 23.9298 k = 0.2531 0.2531 0.2531 ( 1412 PWs) bands (ev): -4.0692 -4.0692 -4.0532 -4.0532 -1.6818 -1.6818 -1.5526 -1.5526 -1.5041 -1.5041 0.4885 0.4885 5.8480 5.8480 9.7957 9.7957 10.2271 10.2271 13.3276 13.3276 16.7035 16.7035 17.8285 17.8285 19.8397 19.8397 24.1205 24.1206 k = 0.2593 0.2593 0.2593 ( 1424 PWs) bands (ev): -4.0696 -4.0696 -4.0527 -4.0527 -1.6843 -1.6843 -1.5532 -1.5532 -1.4995 -1.4995 0.5814 0.5814 5.8380 5.8380 9.7725 9.7725 10.2000 10.2000 13.1611 13.1611 16.5441 16.5441 17.6478 17.6478 19.9133 19.9133 24.3140 24.3140 k = 0.2654 0.2654 0.2654 ( 1424 PWs) bands (ev): -4.0699 -4.0699 -4.0523 -4.0523 -1.6872 -1.6872 -1.5531 -1.5531 -1.4949 -1.4949 0.6737 0.6737 5.8328 5.8328 9.7516 9.7516 10.1752 10.1752 12.9962 12.9962 16.3824 16.3824 17.4682 17.4682 19.9642 19.9642 24.5100 24.5100 k = 0.2716 0.2716 0.2716 ( 1427 PWs) bands (ev): -4.0701 -4.0701 -4.0519 -4.0519 -1.6903 -1.6903 -1.5523 -1.5523 -1.4902 -1.4902 0.7652 0.7652 5.8325 5.8325 9.7331 9.7331 10.1529 10.1529 12.8334 12.8334 16.2193 16.2193 17.2901 17.2901 19.9876 19.9876 24.7082 24.7082 k = 0.2778 0.2778 0.2778 ( 1427 PWs) bands (ev): -4.0704 -4.0704 -4.0516 -4.0516 -1.6936 -1.6936 -1.5508 -1.5508 -1.4856 -1.4856 0.8556 0.8556 5.8375 5.8375 9.7169 9.7169 10.1329 10.1329 12.6732 12.6732 16.0555 16.0555 17.1134 17.1134 19.9799 19.9799 24.9081 24.9081 k = 0.2840 0.2840 0.2840 ( 1427 PWs) bands (ev): -4.0706 -4.0706 -4.0513 -4.0513 -1.6972 -1.6972 -1.5487 -1.5487 -1.4810 -1.4810 0.9445 0.9445 5.8479 5.8479 9.7031 9.7031 10.1155 10.1155 12.5159 12.5159 15.8914 15.8914 16.9384 16.9384 19.9393 19.9393 25.1077 25.1078 k = 0.2901 0.2901 0.2901 ( 1427 PWs) bands (ev): -4.0708 -4.0708 -4.0511 -4.0511 -1.7009 -1.7009 -1.5460 -1.5460 -1.4765 -1.4765 1.0316 1.0316 5.8640 5.8640 9.6919 9.6919 10.1005 10.1005 12.3619 12.3619 15.7275 15.7275 16.7652 16.7652 19.8653 19.8653 25.2926 25.2926 k = 0.2963 0.2963 0.2963 ( 1427 PWs) bands (ev): -4.0709 -4.0709 -4.0509 -4.0509 -1.7047 -1.7047 -1.5427 -1.5427 -1.4719 -1.4719 1.1165 1.1165 5.8861 5.8861 9.6831 9.6831 10.0881 10.0881 12.2114 12.2114 15.5642 15.5642 16.5939 16.5939 19.7592 19.7592 25.4052 25.4052 k = 0.3025 0.3025 0.3025 ( 1427 PWs) bands (ev): -4.0710 -4.0710 -4.0508 -4.0508 -1.7086 -1.7086 -1.5389 -1.5389 -1.4674 -1.4674 1.1989 1.1989 5.9144 5.9144 9.6768 9.6768 10.0782 10.0782 12.0647 12.0647 15.4016 15.4016 16.4246 16.4246 19.6236 19.6236 25.5085 25.5085 k = 0.3086 0.3086 0.3086 ( 1427 PWs) bands (ev): -4.0710 -4.0710 -4.0507 -4.0507 -1.7125 -1.7125 -1.5347 -1.5347 -1.4630 -1.4630 1.2785 1.2785 5.9492 5.9492 9.6731 9.6731 10.0709 10.0709 11.9220 11.9220 15.2400 15.2400 16.2574 16.2574 19.4619 19.4619 25.6370 25.6370 k = 0.3148 0.3148 0.3148 ( 1421 PWs) bands (ev): -4.0710 -4.0710 -4.0507 -4.0507 -1.7165 -1.7165 -1.5300 -1.5300 -1.4586 -1.4586 1.3549 1.3549 5.9907 5.9907 9.6719 9.6719 10.0661 10.0661 11.7835 11.7835 15.0797 15.0797 16.0925 16.0925 19.2776 19.2776 25.7903 25.7903 k = 0.3210 0.3210 0.3210 ( 1421 PWs) bands (ev): -4.0709 -4.0709 -4.0507 -4.0507 -1.7204 -1.7204 -1.5249 -1.5249 -1.4543 -1.4543 1.4278 1.4278 6.0391 6.0391 9.6733 9.6733 10.0639 10.0639 11.6494 11.6494 14.9207 14.9207 15.9298 15.9298 19.0744 19.0744 25.9656 25.9656 k = 0.3272 0.3272 0.3272 ( 1427 PWs) bands (ev): -4.0708 -4.0708 -4.0508 -4.0508 -1.7242 -1.7242 -1.5195 -1.5195 -1.4501 -1.4501 1.4971 1.4971 6.0946 6.0946 9.6773 9.6773 10.0642 10.0642 11.5197 11.5197 14.7633 14.7633 15.7696 15.7696 18.8556 18.8556 26.1595 26.1595 k = 0.3333 0.3333 0.3333 ( 1424 PWs) bands (ev): -4.0706 -4.0706 -4.0509 -4.0509 -1.7280 -1.7280 -1.5138 -1.5138 -1.4459 -1.4459 1.5624 1.5624 6.1573 6.1573 9.6839 9.6839 10.0670 10.0670 11.3948 11.3948 14.6075 14.6075 15.6119 15.6119 18.6242 18.6242 26.3688 26.3688 k = 0.3395 0.3395 0.3395 ( 1427 PWs) bands (ev): -4.0703 -4.0703 -4.0511 -4.0511 -1.7317 -1.7317 -1.5078 -1.5078 -1.4418 -1.4418 1.6235 1.6235 6.2272 6.2272 9.6931 9.6931 10.0723 10.0723 11.2747 11.2747 14.4534 14.4534 15.4568 15.4568 18.3828 18.3828 26.5910 26.5910 k = 0.3457 0.3457 0.3457 ( 1427 PWs) bands (ev): -4.0700 -4.0700 -4.0513 -4.0513 -1.7352 -1.7352 -1.5016 -1.5016 -1.4378 -1.4378 1.6805 1.6805 6.3044 6.3044 9.7049 9.7049 10.0802 10.0802 11.1595 11.1595 14.3012 14.3012 15.3044 15.3044 18.1335 18.1335 26.8235 26.8235 k = 0.3519 0.3519 0.3519 ( 1421 PWs) bands (ev): -4.0696 -4.0696 -4.0515 -4.0515 -1.7386 -1.7386 -1.4953 -1.4953 -1.4339 -1.4339 1.7331 1.7331 6.3889 6.3889 9.7192 9.7192 10.0904 10.0904 11.0494 11.0494 14.1509 14.1509 15.1548 15.1548 17.8782 17.8782 27.0646 27.0646 k = 0.3580 0.3580 0.3580 ( 1421 PWs) bands (ev): -4.0692 -4.0692 -4.0517 -4.0517 -1.7418 -1.7418 -1.4888 -1.4888 -1.4302 -1.4302 1.7814 1.7814 6.4805 6.4805 9.7361 9.7361 10.1030 10.1030 10.9445 10.9445 14.0027 14.0027 15.0082 15.0082 17.6184 17.6184 27.3122 27.3122 k = 0.3642 0.3642 0.3642 ( 1421 PWs) bands (ev): -4.0687 -4.0687 -4.0520 -4.0520 -1.7449 -1.7449 -1.4822 -1.4822 -1.4265 -1.4265 1.8253 1.8253 6.5790 6.5790 9.7554 9.7554 10.1179 10.1179 10.8451 10.8451 13.8565 13.8565 14.8646 14.8646 17.3556 17.3556 27.5650 27.5650 k = 0.3704 0.3704 0.3704 ( 1430 PWs) bands (ev): -4.0682 -4.0682 -4.0523 -4.0523 -1.7478 -1.7478 -1.4755 -1.4755 -1.4230 -1.4230 1.8651 1.8651 6.6841 6.6841 9.7772 9.7772 10.1351 10.1351 10.7511 10.7511 13.7125 13.7125 14.7242 14.7242 17.0907 17.0907 27.8216 27.8216 k = 0.3765 0.3765 0.3765 ( 1430 PWs) bands (ev): -4.0676 -4.0676 -4.0526 -4.0526 -1.7505 -1.7505 -1.4689 -1.4689 -1.4195 -1.4195 1.9008 1.9008 6.7956 6.7956 9.8013 9.8013 10.1544 10.1544 10.6629 10.6629 13.5707 13.5707 14.5871 14.5871 16.8249 16.8249 28.0807 28.0807 k = 0.3827 0.3827 0.3827 ( 1424 PWs) bands (ev): -4.0670 -4.0670 -4.0530 -4.0530 -1.7531 -1.7531 -1.4622 -1.4622 -1.4162 -1.4162 1.9325 1.9325 6.9130 6.9130 9.8277 9.8277 10.1757 10.1757 10.5807 10.5807 13.4311 13.4311 14.4535 14.4535 16.5591 16.5591 28.3414 28.3414 k = 0.3889 0.3889 0.3889 ( 1424 PWs) bands (ev): -4.0664 -4.0664 -4.0533 -4.0533 -1.7554 -1.7554 -1.4556 -1.4556 -1.4131 -1.4131 1.9606 1.9606 7.0357 7.0357 9.8562 9.8562 10.1989 10.1989 10.5047 10.5047 13.2937 13.2937 14.3235 14.3235 16.2939 16.2939 28.6024 28.6024 k = 0.3951 0.3951 0.3951 ( 1412 PWs) bands (ev): -4.0657 -4.0657 -4.0537 -4.0537 -1.7576 -1.7576 -1.4491 -1.4491 -1.4101 -1.4101 1.9851 1.9851 7.1632 7.1632 9.8867 9.8867 10.2240 10.2240 10.4354 10.4354 13.1587 13.1587 14.1974 14.1974 16.0304 16.0304 28.8628 28.8629 k = 0.4012 0.4012 0.4012 ( 1412 PWs) bands (ev): -4.0650 -4.0650 -4.0540 -4.0540 -1.7596 -1.7596 -1.4427 -1.4427 -1.4072 -1.4072 2.0065 2.0065 7.2946 7.2946 9.9189 9.9189 10.2506 10.2506 10.3731 10.3731 13.0260 13.0260 14.0752 14.0752 15.7691 15.7691 29.1215 29.1215 k = 0.4074 0.4074 0.4074 ( 1415 PWs) bands (ev): -4.0643 -4.0643 -4.0544 -4.0544 -1.7615 -1.7615 -1.4365 -1.4365 -1.4045 -1.4045 2.0248 2.0248 7.4293 7.4293 9.9525 9.9525 10.2786 10.2786 10.3185 10.3185 12.8955 12.8955 13.9574 13.9574 15.5110 15.5110 29.3770 29.3770 k = 0.4136 0.4136 0.4136 ( 1415 PWs) bands (ev): -4.0636 -4.0636 -4.0548 -4.0548 -1.7632 -1.7632 -1.4305 -1.4305 -1.4019 -1.4019 2.0404 2.0404 7.5661 7.5661 9.9867 9.9867 10.2727 10.2727 10.3077 10.3077 12.7674 12.7674 13.8440 13.8440 15.2567 15.2567 29.6276 29.6276 k = 0.4198 0.4198 0.4198 ( 1415 PWs) bands (ev): -4.0630 -4.0630 -4.0551 -4.0551 -1.7647 -1.7647 -1.4247 -1.4247 -1.3995 -1.3995 2.0536 2.0536 7.7039 7.7039 10.0206 10.0206 10.2371 10.2371 10.3378 10.3378 12.6414 12.6414 13.7354 13.7354 15.0072 15.0072 29.8709 29.8709 k = 0.4259 0.4259 0.4259 ( 1418 PWs) bands (ev): -4.0623 -4.0623 -4.0554 -4.0554 -1.7660 -1.7660 -1.4191 -1.4191 -1.3973 -1.3973 2.0646 2.0646 7.8412 7.8412 10.0524 10.0524 10.2140 10.2140 10.3685 10.3685 12.5176 12.5176 13.6319 13.6319 14.7634 14.7634 30.1046 30.1046 k = 0.4321 0.4321 0.4321 ( 1418 PWs) bands (ev): -4.0617 -4.0617 -4.0558 -4.0558 -1.7673 -1.7673 -1.4139 -1.4139 -1.3952 -1.3952 2.0737 2.0737 7.9764 7.9764 10.0791 10.0791 10.2072 10.2072 10.3995 10.3995 12.3958 12.3958 13.5339 13.5339 14.5265 14.5265 30.3276 30.3276 k = 0.4383 0.4383 0.4383 ( 1418 PWs) bands (ev): -4.0610 -4.0610 -4.0561 -4.0561 -1.7683 -1.7683 -1.4090 -1.4090 -1.3933 -1.3933 2.0812 2.0812 8.1074 8.1074 10.0996 10.0996 10.2185 10.2185 10.4303 10.4303 12.2758 12.2758 13.4417 13.4417 14.2978 14.2978 30.5408 30.5408 k = 0.4444 0.4444 0.4444 ( 1418 PWs) bands (ev): -4.0605 -4.0605 -4.0564 -4.0564 -1.7693 -1.7693 -1.4045 -1.4045 -1.3915 -1.3915 2.0871 2.0871 8.2322 8.2322 10.1187 10.1187 10.2440 10.2440 10.4606 10.4606 12.1574 12.1574 13.3559 13.3559 14.0790 14.0790 30.7448 30.7448 k = 0.4506 0.4506 0.4506 ( 1418 PWs) bands (ev): -4.0599 -4.0599 -4.0566 -4.0566 -1.7701 -1.7701 -1.4004 -1.4004 -1.3900 -1.3900 2.0919 2.0919 8.3483 8.3483 10.1436 10.1436 10.2771 10.2771 10.4900 10.4900 12.0404 12.0404 13.2769 13.2769 13.8718 13.8718 30.9395 30.9395 k = 0.4568 0.4568 0.4568 ( 1418 PWs) bands (ev): -4.0594 -4.0594 -4.0569 -4.0569 -1.7708 -1.7708 -1.3966 -1.3966 -1.3886 -1.3886 2.0956 2.0956 8.4533 8.4533 10.1793 10.1793 10.3133 10.3133 10.5177 10.5177 11.9244 11.9244 13.2053 13.2053 13.6785 13.6785 31.1236 31.1236 k = 0.4630 0.4630 0.4630 ( 1418 PWs) bands (ev): -4.0590 -4.0590 -4.0571 -4.0571 -1.7714 -1.7714 -1.3934 -1.3934 -1.3874 -1.3874 2.0985 2.0985 8.5451 8.5451 10.2276 10.2276 10.3502 10.3502 10.5434 10.5434 11.8095 11.8095 13.1415 13.1415 13.5017 13.5017 31.2952 31.2952 k = 0.4691 0.4691 0.4691 ( 1418 PWs) bands (ev): -4.0586 -4.0586 -4.0573 -4.0573 -1.7719 -1.7719 -1.3906 -1.3906 -1.3864 -1.3864 2.1006 2.1006 8.6224 8.6224 10.2875 10.2875 10.3869 10.3869 10.5665 10.5665 11.6959 11.6959 13.0863 13.0863 13.3445 13.3445 31.4515 31.4515 k = 0.4753 0.4753 0.4753 ( 1412 PWs) bands (ev): -4.0583 -4.0583 -4.0574 -4.0574 -1.7723 -1.7723 -1.3882 -1.3882 -1.3855 -1.3855 2.1022 2.1022 8.6844 8.6844 10.3531 10.3531 10.4258 10.4258 10.5863 10.5863 11.5848 11.5848 13.0401 13.0401 13.2099 13.2099 31.5889 31.5889 k = 0.4815 0.4815 0.4815 ( 1400 PWs) bands (ev): -4.0580 -4.0580 -4.0575 -4.0575 -1.7726 -1.7726 -1.3864 -1.3864 -1.3849 -1.3849 2.1033 2.1033 8.7314 8.7314 10.4068 10.4068 10.4778 10.4778 10.6024 10.6024 11.4792 11.4792 13.0035 13.0035 13.1011 13.1011 31.7032 31.7032 k = 0.4877 0.4877 0.4877 ( 1394 PWs) bands (ev): -4.0579 -4.0579 -4.0576 -4.0576 -1.7728 -1.7728 -1.3851 -1.3851 -1.3844 -1.3844 2.1041 2.1041 8.7641 8.7641 10.4372 10.4372 10.5444 10.5444 10.6142 10.6142 11.3857 11.3857 12.9769 12.9769 13.0210 13.0210 31.7896 31.7896 k = 0.4938 0.4938 0.4938 ( 1376 PWs) bands (ev): -4.0577 -4.0577 -4.0577 -4.0577 -1.7729 -1.7729 -1.3843 -1.3843 -1.3841 -1.3841 2.1045 2.1045 8.7832 8.7832 10.4528 10.4528 10.6012 10.6012 10.6215 10.6215 11.3168 11.3168 12.9609 12.9609 12.9720 12.9720 31.8437 31.8437 k = 0.5000 0.5000 0.5000 ( 1376 PWs) bands (ev): -4.0577 -4.0577 -4.0577 -4.0577 -1.7729 -1.7729 -1.3840 -1.3840 -1.3840 -1.3840 2.1046 2.1046 8.7895 8.7895 10.4577 10.4577 10.6240 10.6240 10.6240 10.6240 11.2905 11.2905 12.9555 12.9555 12.9555 12.9555 31.8622 31.8622 k = 0.5000 0.5000 0.5000 ( 1376 PWs) bands (ev): -4.0577 -4.0577 -4.0577 -4.0577 -1.7729 -1.7729 -1.3840 -1.3840 -1.3840 -1.3840 2.1046 2.1046 8.7895 8.7895 10.4577 10.4577 10.6240 10.6240 10.6240 10.6240 11.2905 11.2905 12.9555 12.9555 12.9555 12.9555 31.8622 31.8622 k = 0.4924 0.5000 0.4924 ( 1376 PWs) bands (ev): -4.0577 -4.0577 -4.0577 -4.0577 -1.7729 -1.7729 -1.3843 -1.3843 -1.3841 -1.3841 2.1045 2.1045 8.7832 8.7832 10.4527 10.4527 10.6006 10.6006 10.6220 10.6220 11.3170 11.3170 12.9617 12.9617 12.9713 12.9713 31.8434 31.8434 k = 0.4848 0.5000 0.4848 ( 1392 PWs) bands (ev): -4.0579 -4.0579 -4.0576 -4.0576 -1.7728 -1.7728 -1.3851 -1.3851 -1.3844 -1.3844 2.1041 2.1041 8.7641 8.7641 10.4372 10.4372 10.5403 10.5403 10.6174 10.6174 11.3864 11.3864 12.9803 12.9803 13.0180 13.0180 31.7864 31.7864 k = 0.4773 0.5000 0.4773 ( 1400 PWs) bands (ev): -4.0581 -4.0581 -4.0575 -4.0575 -1.7726 -1.7726 -1.3864 -1.3864 -1.3849 -1.3849 2.1033 2.1033 8.7320 8.7320 10.4103 10.4103 10.4607 10.4607 10.6135 10.6135 11.4810 11.4810 13.0116 13.0116 13.0937 13.0937 31.6903 31.6903 k = 0.4697 0.5000 0.4697 ( 1404 PWs) bands (ev): -4.0583 -4.0583 -4.0574 -4.0574 -1.7723 -1.7723 -1.3882 -1.3882 -1.3855 -1.3855 2.1023 2.1023 8.6864 8.6864 10.3726 10.3726 10.3745 10.3745 10.6127 10.6127 11.5875 11.5875 13.0561 13.0561 13.1954 13.1954 31.5573 31.5573 k = 0.4621 0.5000 0.4621 ( 1412 PWs) bands (ev): -4.0587 -4.0587 -4.0572 -4.0572 -1.7719 -1.7719 -1.3905 -1.3905 -1.3864 -1.3864 2.1008 2.1008 8.6269 8.6269 10.2871 10.2871 10.3288 10.3288 10.6158 10.6158 11.6980 11.6980 13.1142 13.1142 13.3201 13.3201 31.3932 31.3932 k = 0.4545 0.5000 0.4545 ( 1412 PWs) bands (ev): -4.0591 -4.0591 -4.0570 -4.0570 -1.7714 -1.7714 -1.3933 -1.3933 -1.3874 -1.3874 2.0988 2.0988 8.5538 8.5538 10.2024 10.2024 10.2824 10.2824 10.6228 10.6228 11.8081 11.8081 13.1862 13.1862 13.4647 13.4647 31.2048 31.2048 k = 0.4470 0.5000 0.4470 ( 1412 PWs) bands (ev): -4.0595 -4.0595 -4.0568 -4.0568 -1.7709 -1.7709 -1.3966 -1.3966 -1.3886 -1.3886 2.0963 2.0963 8.4676 8.4676 10.1203 10.1203 10.2385 10.2385 10.6332 10.6332 11.9151 11.9151 13.2724 13.2724 13.6265 13.6265 30.9980 30.9980 k = 0.4394 0.5000 0.4394 ( 1420 PWs) bands (ev): -4.0601 -4.0601 -4.0566 -4.0566 -1.7703 -1.7703 -1.4002 -1.4002 -1.3900 -1.3900 2.0930 2.0930 8.3692 8.3692 10.0405 10.0405 10.2007 10.2007 10.6465 10.6465 12.0176 12.0176 13.3724 13.3724 13.8030 13.8030 30.7771 30.7771 k = 0.4318 0.5000 0.4318 ( 1420 PWs) bands (ev): -4.0606 -4.0606 -4.0563 -4.0563 -1.7695 -1.7695 -1.4043 -1.4043 -1.3916 -1.3916 2.0890 2.0890 8.2601 8.2601 9.9626 9.9626 10.1714 10.1714 10.6625 10.6625 12.1152 12.1152 13.4857 13.4857 13.9924 13.9924 30.5451 30.5451 k = 0.4242 0.5000 0.4242 ( 1420 PWs) bands (ev): -4.0613 -4.0613 -4.0560 -4.0560 -1.7687 -1.7687 -1.4087 -1.4087 -1.3933 -1.3933 2.0840 2.0840 8.1420 8.1420 9.8868 9.8868 10.1514 10.1514 10.6809 10.6809 12.2081 12.2081 13.6114 13.6114 14.1928 14.1928 30.3044 30.3044 k = 0.4167 0.5000 0.4167 ( 1420 PWs) bands (ev): -4.0619 -4.0619 -4.0557 -4.0557 -1.7678 -1.7678 -1.4135 -1.4135 -1.3952 -1.3952 2.0780 2.0780 8.0165 8.0165 9.8134 9.8134 10.1404 10.1404 10.7017 10.7017 12.2969 12.2969 13.7482 13.7482 14.4030 14.4030 30.0569 30.0569 k = 0.4091 0.5000 0.4091 ( 1420 PWs) bands (ev): -4.0627 -4.0627 -4.0554 -4.0554 -1.7668 -1.7668 -1.4185 -1.4185 -1.3972 -1.3972 2.0707 2.0707 7.8853 7.8853 9.7430 9.7430 10.1380 10.1380 10.7248 10.7248 12.3825 12.3825 13.8949 13.8949 14.6216 14.6216 29.8043 29.8043 k = 0.4015 0.5000 0.4015 ( 1418 PWs) bands (ev): -4.0634 -4.0634 -4.0550 -4.0550 -1.7657 -1.7657 -1.4238 -1.4238 -1.3994 -1.3994 2.0622 2.0622 7.7499 7.7499 9.6764 9.6764 10.1434 10.1434 10.7501 10.7501 12.4660 12.4660 14.0500 14.0500 14.8478 14.8478 29.5480 29.5480 k = 0.3939 0.5000 0.3939 ( 1418 PWs) bands (ev): -4.0642 -4.0642 -4.0547 -4.0547 -1.7645 -1.7645 -1.4293 -1.4293 -1.4017 -1.4017 2.0521 2.0521 7.6114 7.6114 9.6141 9.6141 10.1557 10.1557 10.7776 10.7776 12.5481 12.5481 14.2123 14.2123 15.0808 15.0808 29.2893 29.2893 k = 0.3864 0.5000 0.3864 ( 1418 PWs) bands (ev): -4.0649 -4.0649 -4.0544 -4.0544 -1.7633 -1.7633 -1.4350 -1.4350 -1.4042 -1.4042 2.0404 2.0404 7.4710 7.4710 9.5565 9.5565 10.1743 10.1743 10.8072 10.8072 12.6297 12.6297 14.3808 14.3808 15.3197 15.3197 29.0292 29.0292 k = 0.3788 0.5000 0.3788 ( 1422 PWs) bands (ev): -4.0657 -4.0657 -4.0541 -4.0541 -1.7620 -1.7620 -1.4408 -1.4408 -1.4068 -1.4068 2.0269 2.0269 7.3295 7.3295 9.5042 9.5042 10.1987 10.1987 10.8389 10.8389 12.7115 12.7115 14.5543 14.5543 15.5640 15.5640 28.7688 28.7688 k = 0.3712 0.5000 0.3712 ( 1422 PWs) bands (ev): -4.0665 -4.0665 -4.0538 -4.0538 -1.7605 -1.7605 -1.4467 -1.4467 -1.4095 -1.4095 2.0116 2.0116 7.1877 7.1877 9.4576 9.4576 10.2282 10.2282 10.8728 10.8728 12.7940 12.7940 14.7321 14.7321 15.8132 15.8132 28.5088 28.5088 k = 0.3636 0.5000 0.3636 ( 1422 PWs) bands (ev): -4.0673 -4.0673 -4.0535 -4.0535 -1.7591 -1.7591 -1.4526 -1.4526 -1.4124 -1.4124 1.9942 1.9942 7.0461 7.0461 9.4169 9.4169 10.2626 10.2626 10.9087 10.9087 12.8777 12.8777 14.9132 14.9132 16.0668 16.0668 28.2500 28.2500 k = 0.3561 0.5000 0.3561 ( 1426 PWs) bands (ev): -4.0681 -4.0681 -4.0532 -4.0532 -1.7575 -1.7575 -1.4585 -1.4585 -1.4153 -1.4153 1.9747 1.9747 6.9054 6.9054 9.3824 9.3824 10.3015 10.3015 10.9467 10.9467 12.9630 12.9630 15.0969 15.0969 16.3243 16.3243 27.9932 27.9932 k = 0.3485 0.5000 0.3485 ( 1426 PWs) bands (ev): -4.0688 -4.0688 -4.0530 -4.0530 -1.7559 -1.7559 -1.4643 -1.4643 -1.4184 -1.4184 1.9531 1.9531 6.7658 6.7658 9.3544 9.3544 10.3447 10.3447 10.9867 10.9867 13.0501 13.0501 15.2826 15.2826 16.5854 16.5854 27.7389 27.7389 k = 0.3409 0.5000 0.3409 ( 1426 PWs) bands (ev): -4.0696 -4.0696 -4.0528 -4.0528 -1.7543 -1.7543 -1.4700 -1.4700 -1.4216 -1.4216 1.9292 1.9292 6.6278 6.6278 9.3330 9.3330 10.3919 10.3919 11.0288 11.0288 13.1393 13.1393 15.4696 15.4696 16.8496 16.8496 27.4878 27.4878 k = 0.3333 0.5000 0.3333 ( 1426 PWs) bands (ev): -4.0703 -4.0703 -4.0526 -4.0526 -1.7526 -1.7526 -1.4755 -1.4755 -1.4248 -1.4248 1.9030 1.9030 6.4916 6.4916 9.3183 9.3183 10.4430 10.4430 11.0728 11.0728 13.2306 13.2306 15.6572 15.6572 17.1165 17.1165 27.2406 27.2406 k = 0.3258 0.5000 0.3258 ( 1422 PWs) bands (ev): -4.0709 -4.0709 -4.0524 -4.0524 -1.7508 -1.7508 -1.4809 -1.4809 -1.4282 -1.4282 1.8744 1.8744 6.3575 6.3575 9.3105 9.3105 10.4979 10.4979 11.1189 11.1189 13.3242 13.3242 15.8448 15.8448 17.3858 17.3858 26.9977 26.9977 k = 0.3182 0.5000 0.3182 ( 1422 PWs) bands (ev): -4.0715 -4.0715 -4.0523 -4.0523 -1.7491 -1.7491 -1.4860 -1.4860 -1.4316 -1.4316 1.8435 1.8435 6.2257 6.2257 9.3096 9.3096 10.5564 10.5564 11.1670 11.1670 13.4201 13.4201 16.0317 16.0317 17.6570 17.6570 26.7600 26.7600 k = 0.3106 0.5000 0.3106 ( 1422 PWs) bands (ev): -4.0720 -4.0720 -4.0522 -4.0522 -1.7473 -1.7473 -1.4908 -1.4908 -1.4351 -1.4351 1.8103 1.8103 6.0963 6.0963 9.3156 9.3156 10.6184 10.6184 11.2171 11.2171 13.5184 13.5184 16.2170 16.2170 17.9297 17.9297 26.5280 26.5280 k = 0.3030 0.5000 0.3030 ( 1426 PWs) bands (ev): -4.0725 -4.0725 -4.0522 -4.0522 -1.7454 -1.7454 -1.4953 -1.4953 -1.4387 -1.4387 1.7748 1.7748 5.9695 5.9695 9.3285 9.3285 10.6840 10.6840 11.2691 11.2691 13.6192 13.6192 16.4000 16.4000 18.2034 18.2034 26.3024 26.3024 k = 0.2955 0.5000 0.2955 ( 1426 PWs) bands (ev): -4.0730 -4.0730 -4.0522 -4.0522 -1.7436 -1.7436 -1.4995 -1.4995 -1.4424 -1.4424 1.7370 1.7370 5.8455 5.8455 9.3484 9.3484 10.7530 10.7530 11.3231 11.3231 13.7223 13.7223 16.5798 16.5798 18.4775 18.4775 26.0834 26.0834 k = 0.2879 0.5000 0.2879 ( 1422 PWs) bands (ev): -4.0733 -4.0733 -4.0522 -4.0522 -1.7417 -1.7417 -1.5033 -1.5033 -1.4461 -1.4461 1.6971 1.6971 5.7243 5.7243 9.3751 9.3751 10.8254 10.8254 11.3789 11.3789 13.8277 13.8277 16.7554 16.7554 18.7513 18.7513 25.8702 25.8702 k = 0.2803 0.5000 0.2803 ( 1426 PWs) bands (ev): -4.0736 -4.0736 -4.0523 -4.0523 -1.7399 -1.7399 -1.5067 -1.5067 -1.4498 -1.4498 1.6550 1.6550 5.6060 5.6060 9.4086 9.4086 10.9011 10.9011 11.4367 11.4367 13.9354 13.9354 16.9257 16.9257 19.0241 19.0241 25.6572 25.6572 k = 0.2727 0.5000 0.2727 ( 1426 PWs) bands (ev): -4.0739 -4.0739 -4.0523 -4.0523 -1.7380 -1.7380 -1.5096 -1.5096 -1.4536 -1.4536 1.6111 1.6111 5.4907 5.4907 9.4487 9.4487 10.9801 10.9801 11.4963 11.4963 14.0454 14.0454 17.0895 17.0895 19.2949 19.2949 25.4324 25.4324 k = 0.2652 0.5000 0.2652 ( 1430 PWs) bands (ev): -4.0741 -4.0741 -4.0524 -4.0524 -1.7360 -1.7360 -1.5122 -1.5122 -1.4574 -1.4574 1.5653 1.5653 5.3785 5.3785 9.4954 9.4954 11.0623 11.0623 11.5578 11.5578 14.1575 14.1575 17.2454 17.2454 19.5624 19.5624 25.1985 25.1985 k = 0.2576 0.5000 0.2576 ( 1432 PWs) bands (ev): -4.0742 -4.0742 -4.0525 -4.0525 -1.7341 -1.7341 -1.5143 -1.5143 -1.4613 -1.4613 1.5177 1.5177 5.2695 5.2695 9.5485 9.5485 11.1478 11.1478 11.6210 11.6210 14.2716 14.2716 17.3919 17.3919 19.8253 19.8253 24.9631 24.9631 k = 0.2500 0.5000 0.2500 ( 1432 PWs) bands (ev): -4.0744 -4.0744 -4.0526 -4.0526 -1.7320 -1.7320 -1.5160 -1.5160 -1.4651 -1.4651 1.4686 1.4686 5.1635 5.1635 9.6078 9.6078 11.2364 11.2364 11.6861 11.6861 14.3877 14.3877 17.5274 17.5274 20.0817 20.0817 24.7287 24.7288 k = 0.2424 0.5000 0.2424 ( 1432 PWs) bands (ev): -4.0744 -4.0744 -4.0527 -4.0527 -1.7299 -1.7299 -1.5173 -1.5173 -1.4689 -1.4689 1.4182 1.4182 5.0609 5.0609 9.6733 9.6733 11.3282 11.3282 11.7529 11.7529 14.5055 14.5055 17.6503 17.6503 20.3291 20.3291 24.4965 24.4965 k = 0.2348 0.5000 0.2348 ( 1422 PWs) bands (ev): -4.0745 -4.0745 -4.0528 -4.0528 -1.7277 -1.7277 -1.5181 -1.5181 -1.4727 -1.4727 1.3664 1.3664 4.9614 4.9614 9.7447 9.7447 11.4229 11.4229 11.8215 11.8215 14.6249 14.6249 17.7589 17.7589 20.5647 20.5647 24.2667 24.2667 k = 0.2273 0.5000 0.2273 ( 1426 PWs) bands (ev): -4.0746 -4.0746 -4.0528 -4.0528 -1.7254 -1.7254 -1.5186 -1.5186 -1.4764 -1.4764 1.3136 1.3136 4.8652 4.8652 9.8219 9.8219 11.5206 11.5206 11.8919 11.8919 14.7458 14.7458 17.8515 17.8515 20.7847 20.7847 24.0397 24.0397 k = 0.2197 0.5000 0.2197 ( 1424 PWs) bands (ev): -4.0747 -4.0747 -4.0528 -4.0528 -1.7229 -1.7229 -1.5187 -1.5187 -1.4801 -1.4801 1.2599 1.2599 4.7723 4.7723 9.9047 9.9047 11.6211 11.6211 11.9640 11.9640 14.8679 14.8679 17.9266 17.9266 20.9844 20.9844 23.8157 23.8157 k = 0.2121 0.5000 0.2121 ( 1424 PWs) bands (ev): -4.0748 -4.0748 -4.0527 -4.0527 -1.7203 -1.7203 -1.5185 -1.5185 -1.4837 -1.4837 1.2055 1.2055 4.6827 4.6827 9.9929 9.9929 11.7242 11.7242 12.0380 12.0380 14.9910 14.9910 17.9830 17.9830 21.1583 21.1583 23.5950 23.5950 k = 0.2045 0.5000 0.2045 ( 1424 PWs) bands (ev): -4.0749 -4.0749 -4.0525 -4.0525 -1.7176 -1.7176 -1.5180 -1.5180 -1.4872 -1.4872 1.1505 1.1505 4.5964 4.5964 10.0863 10.0863 11.8297 11.8297 12.1139 12.1139 15.1148 15.1148 18.0197 18.0197 21.3007 21.3007 23.3776 23.3776 k = 0.1970 0.5000 0.1970 ( 1432 PWs) bands (ev): -4.0751 -4.0751 -4.0522 -4.0522 -1.7146 -1.7146 -1.5172 -1.5172 -1.4904 -1.4904 1.0951 1.0951 4.5134 4.5134 10.1849 10.1849 11.9371 11.9371 12.1921 12.1921 15.2388 15.2388 18.0363 18.0363 21.4055 21.4055 23.1639 23.1639 k = 0.1894 0.5000 0.1894 ( 1432 PWs) bands (ev): -4.0754 -4.0754 -4.0518 -4.0518 -1.7115 -1.7115 -1.5164 -1.5164 -1.4934 -1.4934 1.0396 1.0396 4.4338 4.4338 10.2883 10.2883 12.0459 12.0459 12.2729 12.2729 15.3629 15.3629 18.0331 18.0331 21.4683 21.4683 22.9541 22.9541 k = 0.1818 0.5000 0.1818 ( 1430 PWs) bands (ev): -4.0757 -4.0757 -4.0513 -4.0513 -1.7082 -1.7082 -1.5155 -1.5155 -1.4960 -1.4960 0.9840 0.9840 4.3575 4.3575 10.3964 10.3964 12.1550 12.1550 12.3572 12.3572 15.4862 15.4862 18.0106 18.0106 21.4870 21.4870 22.7482 22.7482 k = 0.1742 0.5000 0.1742 ( 1434 PWs) bands (ev): -4.0761 -4.0761 -4.0507 -4.0507 -1.7046 -1.7046 -1.5148 -1.5148 -1.4980 -1.4980 0.9287 0.9287 4.2844 4.2844 10.5090 10.5090 12.2629 12.2629 12.4463 12.4463 15.6083 15.6083 17.9703 17.9703 21.4627 21.4627 22.5465 22.5465 k = 0.1667 0.5000 0.1667 ( 1434 PWs) bands (ev): -4.0766 -4.0766 -4.0500 -4.0500 -1.7009 -1.7009 -1.5147 -1.5147 -1.4991 -1.4991 0.8736 0.8736 4.2147 4.2147 10.6260 10.6260 12.3677 12.3677 12.5417 12.5417 15.7283 15.7283 17.9139 17.9139 21.3993 21.3993 22.3492 22.3492 k = 0.1591 0.5000 0.1591 ( 1434 PWs) bands (ev): -4.0772 -4.0772 -4.0491 -4.0491 -1.6970 -1.6970 -1.5152 -1.5152 -1.4990 -1.4990 0.8191 0.8191 4.1482 4.1482 10.7471 10.7471 12.4676 12.4676 12.6452 12.6452 15.8448 15.8448 17.8438 17.8438 21.3026 21.3026 22.1565 22.1565 k = 0.1515 0.5000 0.1515 ( 1430 PWs) bands (ev): -4.0778 -4.0778 -4.0482 -4.0482 -1.6930 -1.6930 -1.5164 -1.5164 -1.4980 -1.4980 0.7654 0.7654 4.0851 4.0851 10.8722 10.8722 12.5618 12.5618 12.7570 12.7570 15.9564 15.9564 17.7630 17.7630 21.1788 21.1788 21.9686 21.9686 k = 0.1439 0.5000 0.1439 ( 1422 PWs) bands (ev): -4.0785 -4.0785 -4.0473 -4.0473 -1.6888 -1.6888 -1.5179 -1.5179 -1.4961 -1.4961 0.7125 0.7125 4.0252 4.0252 11.0012 11.0012 12.6510 12.6510 12.8762 12.8762 16.0605 16.0605 17.6752 17.6752 21.0340 21.0340 21.7859 21.7859 k = 0.1364 0.5000 0.1364 ( 1430 PWs) bands (ev): -4.0792 -4.0792 -4.0462 -4.0462 -1.6846 -1.6846 -1.5195 -1.5195 -1.4938 -1.4938 0.6606 0.6606 3.9685 3.9685 11.1337 11.1337 12.7362 12.7362 13.0013 13.0013 16.1537 16.1537 17.5852 17.5852 20.8736 20.8736 21.6087 21.6087 k = 0.1288 0.5000 0.1288 ( 1430 PWs) bands (ev): -4.0799 -4.0799 -4.0452 -4.0452 -1.6803 -1.6803 -1.5211 -1.5211 -1.4910 -1.4910 0.6101 0.6101 3.9150 3.9150 11.2697 11.2697 12.8183 12.8183 13.1308 13.1308 16.2307 16.2307 17.4992 17.4992 20.7021 20.7021 21.4373 21.4373 k = 0.1212 0.5000 0.1212 ( 1430 PWs) bands (ev): -4.0807 -4.0807 -4.0441 -4.0441 -1.6761 -1.6761 -1.5224 -1.5224 -1.4880 -1.4880 0.5609 0.5609 3.8648 3.8648 11.4090 11.4090 12.8980 12.8980 13.2638 13.2638 16.2843 16.2843 17.4255 17.4255 20.5232 20.5232 21.2720 21.2720 k = 0.1136 0.5000 0.1136 ( 1430 PWs) bands (ev): -4.0814 -4.0814 -4.0430 -4.0430 -1.6720 -1.6720 -1.5236 -1.5236 -1.4847 -1.4847 0.5134 0.5134 3.8177 3.8177 11.5513 11.5513 12.9753 12.9753 13.3992 13.3992 16.3057 16.3057 17.3735 17.3735 20.3400 20.3400 21.1133 21.1133 k = 0.1061 0.5000 0.1061 ( 1426 PWs) bands (ev): -4.0822 -4.0822 -4.0419 -4.0419 -1.6680 -1.6680 -1.5245 -1.5245 -1.4813 -1.4813 0.4677 0.4677 3.7739 3.7739 11.6964 11.6964 13.0505 13.0505 13.5365 13.5365 16.2880 16.2880 17.3504 17.3504 20.1554 20.1554 20.9616 20.9616 k = 0.0985 0.5000 0.0985 ( 1426 PWs) bands (ev): -4.0830 -4.0830 -4.0408 -4.0408 -1.6643 -1.6643 -1.5251 -1.5251 -1.4777 -1.4777 0.4239 0.4239 3.7331 3.7331 11.8441 11.8441 13.1232 13.1232 13.6748 13.6748 16.2305 16.2305 17.3571 17.3571 19.9719 19.9719 20.8172 20.8172 k = 0.0909 0.5000 0.0909 ( 1426 PWs) bands (ev): -4.0837 -4.0837 -4.0397 -4.0397 -1.6608 -1.6608 -1.5255 -1.5255 -1.4740 -1.4740 0.3824 0.3824 3.6955 3.6955 11.9941 11.9941 13.1933 13.1933 13.8134 13.8134 16.1393 16.1393 17.3875 17.3875 19.7918 19.7918 20.6807 20.6807 k = 0.0833 0.5000 0.0833 ( 1424 PWs) bands (ev): -4.0844 -4.0844 -4.0387 -4.0387 -1.6576 -1.6576 -1.5256 -1.5256 -1.4702 -1.4702 0.3432 0.3432 3.6609 3.6609 12.1460 12.1460 13.2605 13.2605 13.9514 13.9514 16.0232 16.0232 17.4322 17.4322 19.6176 19.6176 20.5525 20.5525 k = 0.0758 0.5000 0.0758 ( 1424 PWs) bands (ev): -4.0851 -4.0851 -4.0377 -4.0377 -1.6547 -1.6547 -1.5254 -1.5254 -1.4664 -1.4664 0.3065 0.3065 3.6295 3.6295 12.2995 12.2995 13.3247 13.3247 14.0876 14.0876 15.8902 15.8902 17.4824 17.4824 19.4520 19.4520 20.4330 20.4330 k = 0.0682 0.5000 0.0682 ( 1428 PWs) bands (ev): -4.0857 -4.0857 -4.0368 -4.0368 -1.6522 -1.6522 -1.5251 -1.5251 -1.4625 -1.4625 0.2726 0.2726 3.6011 3.6011 12.4539 12.4539 13.3854 13.3854 14.2207 14.2207 15.7465 15.7465 17.5310 17.5310 19.2981 19.2981 20.3228 20.3228 k = 0.0606 0.5000 0.0606 ( 1428 PWs) bands (ev): -4.0863 -4.0863 -4.0360 -4.0360 -1.6500 -1.6500 -1.5246 -1.5246 -1.4588 -1.4588 0.2417 0.2417 3.5757 3.5757 12.6086 12.6086 13.4426 13.4426 14.3485 14.3485 15.5970 15.5970 17.5723 17.5723 19.1590 19.1590 20.2224 20.2224 k = 0.0530 0.5000 0.0530 ( 1428 PWs) bands (ev): -4.0868 -4.0868 -4.0352 -4.0352 -1.6482 -1.6482 -1.5240 -1.5240 -1.4552 -1.4552 0.2139 0.2139 3.5534 3.5534 12.7624 12.7624 13.4962 13.4962 14.4682 14.4682 15.4462 15.4462 17.6019 17.6019 19.0381 19.0381 20.1323 20.1323 k = 0.0455 0.5000 0.0455 ( 1416 PWs) bands (ev): -4.0872 -4.0872 -4.0345 -4.0345 -1.6467 -1.6467 -1.5234 -1.5234 -1.4518 -1.4518 0.1894 0.1894 3.5341 3.5341 12.9136 12.9136 13.5467 13.5467 14.5744 14.5744 15.2996 15.2996 17.6170 17.6170 18.9383 18.9383 20.0530 20.0530 k = 0.0379 0.5000 0.0379 ( 1416 PWs) bands (ev): -4.0876 -4.0876 -4.0339 -4.0339 -1.6455 -1.6455 -1.5228 -1.5228 -1.4488 -1.4488 0.1683 0.1683 3.5178 3.5178 13.0591 13.0591 13.5953 13.5953 14.6566 14.6566 15.1680 15.1680 17.6169 17.6169 18.8610 18.8610 19.9850 19.9850 k = 0.0303 0.5000 0.0303 ( 1416 PWs) bands (ev): -4.0880 -4.0880 -4.0335 -4.0335 -1.6445 -1.6445 -1.5222 -1.5222 -1.4462 -1.4462 0.1508 0.1508 3.5044 3.5044 13.1941 13.1941 13.6441 13.6441 14.6909 14.6909 15.0752 15.0752 17.6040 17.6040 18.8054 18.8054 19.9286 19.9286 k = 0.0227 0.5000 0.0227 ( 1422 PWs) bands (ev): -4.0882 -4.0882 -4.0331 -4.0331 -1.6438 -1.6438 -1.5218 -1.5218 -1.4440 -1.4440 0.1371 0.1371 3.4941 3.4941 13.3103 13.3103 13.6971 13.6971 14.6517 14.6517 15.0480 15.0480 17.5833 17.5833 18.7687 18.7687 19.8843 19.8843 k = 0.0152 0.5000 0.0152 ( 1422 PWs) bands (ev): -4.0884 -4.0884 -4.0328 -4.0328 -1.6433 -1.6433 -1.5214 -1.5214 -1.4424 -1.4424 0.1272 0.1272 3.4867 3.4867 13.3973 13.3973 13.7563 13.7563 14.5661 14.5661 15.0641 15.0641 17.5617 17.5617 18.7466 18.7466 19.8525 19.8525 k = 0.0076 0.5000 0.0076 ( 1422 PWs) bands (ev): -4.0885 -4.0885 -4.0326 -4.0326 -1.6430 -1.6430 -1.5212 -1.5212 -1.4414 -1.4414 0.1213 0.1213 3.4822 3.4822 13.4486 13.4486 13.8121 13.8121 14.4859 14.4859 15.0850 15.0850 17.5457 17.5457 18.7351 18.7351 19.8333 19.8333 k = 0.0000 0.5000-0.0000 ( 1422 PWs) bands (ev): -4.0886 -4.0886 -4.0326 -4.0326 -1.6429 -1.6429 -1.5211 -1.5211 -1.4411 -1.4411 0.1193 0.1193 3.4808 3.4808 13.4651 13.4651 13.8369 13.8369 14.4523 14.4523 15.0933 15.0933 17.5398 17.5398 18.7317 18.7317 19.8268 19.8268 k = 0.5000 0.5000-0.0000 ( 1452 PWs) bands (ev): -4.1059 -4.1059 -4.0627 -4.0627 -1.8118 -1.8118 -1.5712 -1.5712 -1.3518 -1.3518 2.0088 2.0088 6.5521 6.5521 7.2766 7.2766 7.6051 7.6051 13.8950 13.8950 18.6703 18.6703 19.9879 19.9879 21.5485 21.5485 21.6918 21.6918 k = 0.5000 0.5000 0.0106 ( 1416 PWs) bands (ev): -4.1058 -4.1058 -4.0627 -4.0627 -1.8117 -1.8117 -1.5710 -1.5710 -1.3520 -1.3520 2.0089 2.0089 6.5535 6.5535 7.2785 7.2785 7.6071 7.6071 13.8891 13.8891 18.6578 18.6578 19.9728 19.9728 21.5231 21.5231 21.7015 21.7015 k = 0.5000 0.5000 0.0213 ( 1416 PWs) bands (ev): -4.1056 -4.1056 -4.0626 -4.0626 -1.8114 -1.8114 -1.5706 -1.5706 -1.3524 -1.3524 2.0092 2.0092 6.5575 6.5575 7.2843 7.2843 7.6128 7.6128 13.8715 13.8715 18.6207 18.6207 19.9280 19.9280 21.4487 21.4487 21.7305 21.7305 k = 0.5000 0.5000 0.0319 ( 1416 PWs) bands (ev): -4.1053 -4.1053 -4.0624 -4.0624 -1.8108 -1.8108 -1.5698 -1.5698 -1.3532 -1.3532 2.0096 2.0096 6.5641 6.5641 7.2940 7.2940 7.6224 7.6224 13.8424 13.8424 18.5601 18.5601 19.8557 19.8557 21.3313 21.3313 21.7785 21.7785 k = 0.5000 0.5000 0.0426 ( 1416 PWs) bands (ev): -4.1049 -4.1049 -4.0621 -4.0621 -1.8101 -1.8101 -1.5687 -1.5687 -1.3542 -1.3542 2.0102 2.0102 6.5735 6.5735 7.3075 7.3075 7.6359 7.6359 13.8023 13.8023 18.4776 18.4776 19.7588 19.7588 21.1781 21.1781 21.8449 21.8449 k = 0.5000 0.5000 0.0532 ( 1416 PWs) bands (ev): -4.1043 -4.1043 -4.0618 -4.0618 -1.8091 -1.8091 -1.5673 -1.5673 -1.3555 -1.3555 2.0110 2.0110 6.5855 6.5855 7.3248 7.3248 7.6531 7.6531 13.7519 13.7519 18.3754 18.3754 19.6406 19.6406 20.9967 20.9967 21.9290 21.9290 k = 0.5000 0.5000 0.0638 ( 1416 PWs) bands (ev): -4.1036 -4.1036 -4.0614 -4.0614 -1.8079 -1.8079 -1.5656 -1.5656 -1.3571 -1.3571 2.0119 2.0119 6.6002 6.6002 7.3460 7.3460 7.6742 7.6742 13.6918 13.6918 18.2557 18.2557 19.5045 19.5045 20.7938 20.7938 22.0301 22.0301 k = 0.5000 0.5000 0.0745 ( 1420 PWs) bands (ev): -4.1028 -4.1028 -4.0610 -4.0610 -1.8066 -1.8066 -1.5635 -1.5635 -1.3589 -1.3589 2.0130 2.0130 6.6175 6.6175 7.3709 7.3709 7.6990 7.6990 13.6229 13.6229 18.1207 18.1207 19.3537 19.3537 20.5748 20.5748 22.1473 22.1473 k = 0.5000 0.5000 0.0851 ( 1420 PWs) bands (ev): -4.1019 -4.1019 -4.0605 -4.0605 -1.8051 -1.8051 -1.5612 -1.5612 -1.3609 -1.3609 2.0143 2.0143 6.6376 6.6376 7.3997 7.3997 7.7275 7.7275 13.5461 13.5461 17.9727 17.9727 19.1910 19.1910 20.3441 20.3441 22.2799 22.2799 k = 0.5000 0.5000 0.0957 ( 1420 PWs) bands (ev): -4.1009 -4.1009 -4.0600 -4.0600 -1.8034 -1.8034 -1.5585 -1.5585 -1.3632 -1.3632 2.0157 2.0157 6.6604 6.6604 7.4322 7.4322 7.7598 7.7598 13.4622 13.4622 17.8137 17.8137 19.0187 19.0187 20.1048 20.1048 22.4268 22.4268 k = 0.5000 0.5000 0.1064 ( 1416 PWs) bands (ev): -4.0997 -4.0997 -4.0595 -4.0595 -1.8016 -1.8016 -1.5556 -1.5556 -1.3655 -1.3655 2.0173 2.0173 6.6858 6.6858 7.4684 7.4684 7.7957 7.7957 13.3721 13.3721 17.6453 17.6453 18.8388 18.8388 19.8596 19.8596 22.5872 22.5872 k = 0.5000 0.5000 0.1170 ( 1416 PWs) bands (ev): -4.0985 -4.0985 -4.0589 -4.0589 -1.7996 -1.7996 -1.5523 -1.5523 -1.3681 -1.3681 2.0190 2.0190 6.7140 6.7140 7.5084 7.5084 7.8353 7.8353 13.2768 13.2768 17.4693 17.4693 18.6531 18.6531 19.6103 19.6103 22.7603 22.7603 k = 0.5000 0.5000 0.1277 ( 1416 PWs) bands (ev): -4.0973 -4.0973 -4.0583 -4.0583 -1.7976 -1.7976 -1.5487 -1.5487 -1.3707 -1.3707 2.0209 2.0209 6.7449 6.7449 7.5520 7.5520 7.8785 7.8785 13.1771 13.1771 17.2869 17.2869 18.4628 18.4628 19.3585 19.3585 22.9451 22.9451 k = 0.5000 0.5000 0.1383 ( 1416 PWs) bands (ev): -4.0959 -4.0959 -4.0577 -4.0577 -1.7955 -1.7955 -1.5448 -1.5448 -1.3734 -1.3734 2.0230 2.0230 6.7785 6.7785 7.5992 7.5992 7.9251 7.9251 13.0737 13.0737 17.0993 17.0993 18.2690 18.2690 19.1053 19.1053 23.1410 23.1410 k = 0.5000 0.5000 0.1489 ( 1416 PWs) bands (ev): -4.0945 -4.0945 -4.0571 -4.0571 -1.7933 -1.7933 -1.5406 -1.5406 -1.3761 -1.3761 2.0252 2.0252 6.8148 6.8148 7.6500 7.6500 7.9753 7.9753 12.9674 12.9674 16.9075 16.9075 18.0728 18.0728 18.8518 18.8518 23.3471 23.3471 k = 0.5000 0.5000 0.1596 ( 1416 PWs) bands (ev): -4.0930 -4.0930 -4.0566 -4.0566 -1.7911 -1.7911 -1.5362 -1.5362 -1.3788 -1.3788 2.0275 2.0275 6.8539 6.8539 7.7044 7.7044 8.0289 8.0289 12.8590 12.8590 16.7123 16.7123 17.8748 17.8748 18.5986 18.5986 23.5627 23.5627 k = 0.5000 0.5000 0.1702 ( 1428 PWs) bands (ev): -4.0914 -4.0914 -4.0560 -4.0560 -1.7888 -1.7888 -1.5315 -1.5315 -1.3815 -1.3815 2.0299 2.0299 6.8957 6.8957 7.7623 7.7623 8.0859 8.0859 12.7491 12.7491 16.5146 16.5146 17.6757 17.6757 18.3464 18.3464 23.7873 23.7873 k = 0.5000 0.5000 0.1809 ( 1428 PWs) bands (ev): -4.0899 -4.0899 -4.0555 -4.0555 -1.7866 -1.7866 -1.5265 -1.5265 -1.3840 -1.3840 2.0325 2.0325 6.9401 6.9401 7.8236 7.8236 8.1462 8.1462 12.6384 12.6384 16.3149 16.3149 17.4761 17.4761 18.0957 18.0957 24.0201 24.0201 k = 0.5000 0.5000 0.1915 ( 1428 PWs) bands (ev): -4.0883 -4.0883 -4.0550 -4.0550 -1.7845 -1.7845 -1.5212 -1.5212 -1.3865 -1.3865 2.0352 2.0352 6.9873 6.9873 7.8884 7.8884 8.2098 8.2098 12.5272 12.5272 16.1137 16.1137 17.2763 17.2763 17.8469 17.8469 24.2608 24.2608 k = 0.5000 0.5000 0.2021 ( 1428 PWs) bands (ev): -4.0866 -4.0866 -4.0546 -4.0546 -1.7824 -1.7824 -1.5158 -1.5158 -1.3889 -1.3889 2.0380 2.0380 7.0373 7.0373 7.9565 7.9565 8.2765 8.2765 12.4162 12.4162 15.9117 15.9117 17.0767 17.0767 17.6005 17.6005 24.5086 24.5086 k = 0.5000 0.5000 0.2128 ( 1420 PWs) bands (ev): -4.0850 -4.0850 -4.0542 -4.0542 -1.7803 -1.7803 -1.5101 -1.5101 -1.3910 -1.3910 2.0409 2.0409 7.0898 7.0898 8.0279 8.0279 8.3463 8.3463 12.3059 12.3059 15.7091 15.7091 16.8778 16.8778 17.3566 17.3566 24.7633 24.7633 k = 0.5000 0.5000 0.2234 ( 1428 PWs) bands (ev): -4.0833 -4.0833 -4.0539 -4.0539 -1.7785 -1.7785 -1.5042 -1.5042 -1.3930 -1.3930 2.0438 2.0438 7.1451 7.1451 8.1025 8.1025 8.4190 8.4190 12.1966 12.1966 15.5064 15.5064 16.6798 16.6798 17.1157 17.1157 25.0242 25.0242 k = 0.5000 0.5000 0.2340 ( 1428 PWs) bands (ev): -4.0817 -4.0817 -4.0536 -4.0536 -1.7767 -1.7767 -1.4982 -1.4982 -1.3947 -1.3947 2.0469 2.0469 7.2029 7.2029 8.1803 8.1803 8.4947 8.4947 12.0888 12.0888 15.3039 15.3039 16.4830 16.4830 16.8779 16.8779 25.2911 25.2911 k = 0.5000 0.5000 0.2447 ( 1428 PWs) bands (ev): -4.0800 -4.0800 -4.0534 -4.0534 -1.7751 -1.7751 -1.4920 -1.4920 -1.3962 -1.3962 2.0500 2.0500 7.2633 7.2633 8.2613 8.2613 8.5733 8.5733 11.9828 11.9828 15.1019 15.1019 16.2875 16.2875 16.6435 16.6435 25.5635 25.5635 k = 0.5000 0.5000 0.2553 ( 1420 PWs) bands (ev): -4.0784 -4.0784 -4.0533 -4.0533 -1.7736 -1.7736 -1.4857 -1.4857 -1.3974 -1.3974 2.0532 2.0532 7.3263 7.3263 8.3452 8.3452 8.6545 8.6545 11.8790 11.8790 14.9008 14.9008 16.0937 16.0937 16.4127 16.4127 25.8411 25.8411 k = 0.5000 0.5000 0.2660 ( 1420 PWs) bands (ev): -4.0768 -4.0768 -4.0532 -4.0532 -1.7723 -1.7723 -1.4794 -1.4794 -1.3984 -1.3984 2.0564 2.0564 7.3917 7.3917 8.4322 8.4322 8.7383 8.7383 11.7777 11.7777 14.7008 14.7008 15.9018 15.9018 16.1857 16.1857 26.1234 26.1234 k = 0.5000 0.5000 0.2766 ( 1420 PWs) bands (ev): -4.0753 -4.0753 -4.0532 -4.0532 -1.7712 -1.7712 -1.4729 -1.4729 -1.3991 -1.3991 2.0596 2.0596 7.4594 7.4594 8.5220 8.5220 8.8246 8.8246 11.6791 11.6791 14.5021 14.5021 15.7119 15.7119 15.9627 15.9627 26.4102 26.4102 k = 0.5000 0.5000 0.2872 ( 1420 PWs) bands (ev): -4.0738 -4.0738 -4.0532 -4.0532 -1.7703 -1.7703 -1.4665 -1.4665 -1.3995 -1.3995 2.0629 2.0629 7.5294 7.5294 8.6147 8.6147 8.9131 8.9131 11.5835 11.5835 14.3051 14.3051 15.5243 15.5243 15.7439 15.7439 26.7012 26.7012 k = 0.5000 0.5000 0.2979 ( 1412 PWs) bands (ev): -4.0723 -4.0723 -4.0533 -4.0533 -1.7696 -1.7696 -1.4600 -1.4600 -1.3996 -1.3996 2.0661 2.0661 7.6015 7.6015 8.7100 8.7100 9.0039 9.0039 11.4912 11.4912 14.1099 14.1099 15.3391 15.3391 15.5295 15.5295 26.9959 26.9959 k = 0.5000 0.5000 0.3085 ( 1420 PWs) bands (ev): -4.0709 -4.0709 -4.0534 -4.0534 -1.7691 -1.7691 -1.4536 -1.4536 -1.3995 -1.3995 2.0693 2.0693 7.6756 7.6756 8.8080 8.8080 9.0966 9.0966 11.4023 11.4023 13.9169 13.9169 15.1567 15.1567 15.3198 15.3198 27.2941 27.2941 k = 0.5000 0.5000 0.3191 ( 1420 PWs) bands (ev): -4.0695 -4.0695 -4.0536 -4.0536 -1.7687 -1.7687 -1.4473 -1.4473 -1.3991 -1.3991 2.0725 2.0725 7.7514 7.7514 8.9085 8.9085 9.1911 9.1911 11.3172 11.3172 13.7262 13.7262 14.9772 14.9772 15.1150 15.1150 27.5953 27.5953 k = 0.5000 0.5000 0.3298 ( 1412 PWs) bands (ev): -4.0682 -4.0682 -4.0539 -4.0539 -1.7685 -1.7685 -1.4411 -1.4411 -1.3985 -1.3985 2.0756 2.0756 7.8288 7.8288 9.0114 9.0114 9.2871 9.2871 11.2360 11.2360 13.5382 13.5382 14.8009 14.8009 14.9154 14.9154 27.8992 27.8992 k = 0.5000 0.5000 0.3404 ( 1412 PWs) bands (ev): -4.0670 -4.0670 -4.0541 -4.0541 -1.7685 -1.7685 -1.4351 -1.4351 -1.3978 -1.3978 2.0786 2.0786 7.9074 7.9074 9.1165 9.1165 9.3843 9.3843 11.1589 11.1589 13.3531 13.3531 14.6282 14.6282 14.7212 14.7212 28.2054 28.2054 k = 0.5000 0.5000 0.3511 ( 1412 PWs) bands (ev): -4.0658 -4.0658 -4.0544 -4.0544 -1.7686 -1.7686 -1.4292 -1.4292 -1.3968 -1.3968 2.0816 2.0816 7.9870 7.9870 9.2237 9.2237 9.4825 9.4825 11.0861 11.0861 13.1712 13.1712 14.4592 14.4592 14.5329 14.5329 28.5134 28.5134 k = 0.5000 0.5000 0.3617 ( 1412 PWs) bands (ev): -4.0647 -4.0647 -4.0547 -4.0547 -1.7688 -1.7688 -1.4236 -1.4236 -1.3957 -1.3957 2.0844 2.0844 8.0670 8.0670 9.3328 9.3328 9.5811 9.5811 11.0177 11.0177 12.9927 12.9927 14.2946 14.2946 14.3508 14.3508 28.8227 28.8227 k = 0.5000 0.5000 0.3723 ( 1416 PWs) bands (ev): -4.0637 -4.0637 -4.0551 -4.0551 -1.7691 -1.7691 -1.4182 -1.4182 -1.3946 -1.3946 2.0872 2.0872 8.1471 8.1471 9.4436 9.4436 9.6798 9.6798 10.9540 10.9540 12.8179 12.8179 14.1346 14.1346 14.1755 14.1755 29.1325 29.1325 k = 0.5000 0.5000 0.3830 ( 1416 PWs) bands (ev): -4.0628 -4.0628 -4.0554 -4.0554 -1.7694 -1.7694 -1.4131 -1.4131 -1.3933 -1.3933 2.0897 2.0897 8.2266 8.2266 9.5559 9.5559 9.7779 9.7779 10.8950 10.8950 12.6472 12.6472 13.9799 13.9799 14.0076 14.0076 29.4422 29.4422 k = 0.5000 0.5000 0.3936 ( 1416 PWs) bands (ev): -4.0619 -4.0619 -4.0557 -4.0557 -1.7698 -1.7698 -1.4083 -1.4083 -1.3921 -1.3921 2.0922 2.0922 8.3049 8.3049 9.6694 9.6694 9.8747 9.8747 10.8410 10.8410 12.4808 12.4808 13.8312 13.8312 13.8478 13.8478 29.7508 29.7508 k = 0.5000 0.5000 0.4043 ( 1416 PWs) bands (ev): -4.0611 -4.0611 -4.0561 -4.0561 -1.7703 -1.7703 -1.4039 -1.4039 -1.3908 -1.3908 2.0944 2.0944 8.3811 8.3811 9.7838 9.7838 9.9693 9.9693 10.7922 10.7922 12.3192 12.3192 13.6892 13.6892 13.6970 13.6970 30.0569 30.0569 k = 0.5000 0.5000 0.4149 ( 1416 PWs) bands (ev): -4.0604 -4.0604 -4.0564 -4.0564 -1.7707 -1.7707 -1.3999 -1.3999 -1.3896 -1.3896 2.0965 2.0965 8.4544 8.4544 9.8987 9.8987 10.0607 10.0607 10.7487 10.7487 12.1627 12.1627 13.5551 13.5551 13.5562 13.5562 30.3587 30.3587 k = 0.5000 0.5000 0.4255 ( 1416 PWs) bands (ev): -4.0598 -4.0598 -4.0567 -4.0567 -1.7712 -1.7712 -1.3963 -1.3963 -1.3884 -1.3884 2.0983 2.0983 8.5237 8.5237 10.0135 10.0135 10.1473 10.1473 10.7109 10.7109 12.0119 12.0119 13.4266 13.4266 13.4299 13.4299 30.6540 30.6540 k = 0.5000 0.5000 0.4362 ( 1416 PWs) bands (ev): -4.0592 -4.0592 -4.0569 -4.0569 -1.7716 -1.7716 -1.3931 -1.3931 -1.3873 -1.3873 2.0999 2.0999 8.5877 8.5877 10.1274 10.1274 10.2274 10.2274 10.6790 10.6790 11.8674 11.8674 13.3094 13.3094 13.3153 13.3153 30.9388 30.9388 k = 0.5000 0.5000 0.4468 ( 1416 PWs) bands (ev): -4.0588 -4.0588 -4.0572 -4.0572 -1.7720 -1.7720 -1.3904 -1.3904 -1.3864 -1.3864 2.1013 2.1013 8.6452 8.6452 10.2393 10.2393 10.2989 10.2989 10.6537 10.6537 11.7301 11.7301 13.2064 13.2064 13.2128 13.2128 31.2073 31.2073 k = 0.5000 0.5000 0.4574 ( 1416 PWs) bands (ev): -4.0584 -4.0584 -4.0574 -4.0574 -1.7723 -1.7723 -1.3881 -1.3881 -1.3855 -1.3855 2.1025 2.1025 8.6948 8.6948 10.3474 10.3474 10.3591 10.3591 10.6356 10.6356 11.6018 11.6018 13.1190 13.1190 13.1246 13.1246 31.4491 31.4491 k = 0.5000 0.5000 0.4681 ( 1400 PWs) bands (ev): -4.0581 -4.0581 -4.0575 -4.0575 -1.7726 -1.7726 -1.3863 -1.3863 -1.3849 -1.3849 2.1034 2.1034 8.7351 8.7351 10.4054 10.4054 10.4484 10.4484 10.6253 10.6253 11.4854 11.4854 13.0488 13.0488 13.0528 13.0528 31.6462 31.6462 k = 0.5000 0.5000 0.4787 ( 1392 PWs) bands (ev): -4.0579 -4.0579 -4.0576 -4.0576 -1.7728 -1.7728 -1.3851 -1.3851 -1.3844 -1.3844 2.1041 2.1041 8.7650 8.7650 10.4362 10.4362 10.5362 10.5362 10.6220 10.6220 11.3868 11.3868 12.9974 12.9974 12.9995 12.9995 31.7774 31.7774 k = 0.5000 0.5000 0.4894 ( 1376 PWs) bands (ev): -4.0577 -4.0577 -4.0577 -4.0577 -1.7729 -1.7729 -1.3843 -1.3843 -1.3841 -1.3841 2.1045 2.1045 8.7833 8.7833 10.4527 10.4527 10.5999 10.5999 10.6230 10.6230 11.3167 11.3167 12.9660 12.9660 12.9666 12.9666 31.8431 31.8431 k = 0.5000 0.5000 0.5000 ( 1376 PWs) bands (ev): -4.0577 -4.0577 -4.0577 -4.0577 -1.7729 -1.7729 -1.3840 -1.3840 -1.3840 -1.3840 2.1046 2.1046 8.7895 8.7895 10.4577 10.4577 10.6240 10.6240 10.6240 10.6240 11.2905 11.2905 12.9555 12.9555 12.9555 12.9555 31.8622 31.8622 Writing output data file PbSe.save init_run : 0.10s CPU 0.20s WALL ( 1 calls) electrons : 36.83s CPU 37.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 36.82s CPU 37.90s 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 : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 360 calls) cegterg : 33.43s CPU 34.24s WALL ( 431 calls) Called by sum_band: Called by *egterg: h_psi : 12.85s CPU 13.33s WALL ( 6271 calls) s_psi : 0.45s CPU 0.50s WALL ( 6271 calls) g_psi : 0.04s CPU 0.04s WALL ( 5480 calls) cdiaghg : 19.33s CPU 19.69s WALL ( 5840 calls) cegterg:over : 1.02s CPU 1.02s WALL ( 5480 calls) cegterg:upda : 0.85s CPU 0.75s WALL ( 5480 calls) cegterg:last : 0.32s CPU 0.36s WALL ( 978 calls) cdiaghg:chol : 1.06s CPU 0.98s WALL ( 5840 calls) cdiaghg:inve : 0.50s CPU 0.49s WALL ( 5840 calls) cdiaghg:para : 1.10s CPU 1.15s WALL ( 11680 calls) Called by h_psi: h_psi:vloc : 11.67s CPU 12.11s WALL ( 6271 calls) h_psi:vnl : 1.14s CPU 1.20s WALL ( 6271 calls) add_vuspsi : 0.57s CPU 0.63s WALL ( 6271 calls) General routines calbec : 0.55s CPU 0.55s WALL ( 6271 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.14s CPU 11.54s WALL ( 345288 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.13s WALL ( 720 calls) Parallel routines fft_scatter : 6.32s CPU 6.49s WALL ( 345311 calls) PWSCF : 43.85s CPU 52.94s WALL This run was terminated on: 21: 5:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=