Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:17:29 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: ./YTl.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 28 20 6 690 392 68 Max 29 21 7 693 410 71 Sum 1041 725 221 24885 14531 2517 bravais-lattice index = 14 lattice parameter (alat) = 7.0884 a.u. unit-cell volume = 356.1539 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.088362 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 Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 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 Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) Y 11.00 88.90590 Y( 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= 325 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0030769 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0030769 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0030769 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0030769 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0030769 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0030769 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0030769 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0030769 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0030769 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0030769 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0030769 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0030769 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0030769 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0030769 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0030769 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0030769 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0030769 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0030769 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0030769 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0030769 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0030769 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0030769 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0030769 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0030769 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0030769 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0030769 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0030769 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0030769 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0030769 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0030769 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0030769 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0030769 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0030769 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0030769 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0030769 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0030769 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0030769 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0030769 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0030769 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0030769 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0030769 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0030769 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0030769 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0030769 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0030769 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0030769 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0030769 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0030769 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0030769 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0030769 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0030769 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0030769 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0030769 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0030769 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0030769 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0030769 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0030769 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0030769 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0030769 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0030769 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0030769 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0030769 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0030769 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0030769 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0030769 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0030769 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0030769 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0030769 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0030769 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0030769 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0030769 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0030769 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0030769 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0030769 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0030769 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0030769 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0030769 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0030769 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0030769 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0030769 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0030769 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0030769 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030769 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030769 k( 88) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0030769 k( 89) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0030769 k( 90) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0030769 k( 91) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0030769 k( 92) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0030769 k( 93) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0030769 k( 94) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0030769 k( 95) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0030769 k( 96) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0030769 k( 97) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0030769 k( 98) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0030769 k( 99) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030769 k( 100) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0030769 k( 101) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0030769 k( 102) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0030769 k( 103) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0030769 k( 104) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0030769 k( 105) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0030769 k( 106) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0030769 k( 107) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030769 k( 108) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0030769 k( 109) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0030769 k( 110) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0030769 k( 111) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030769 k( 112) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0030769 k( 113) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0030769 k( 114) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0030769 k( 115) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0030769 k( 116) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0030769 k( 117) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030769 k( 118) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0030769 k( 119) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0030769 k( 120) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0030769 k( 121) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0030769 k( 122) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0030769 k( 123) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030769 k( 124) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0030769 k( 125) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0030769 k( 126) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0030769 k( 127) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030769 k( 128) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0030769 k( 129) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0030769 k( 130) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0030769 k( 131) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0030769 k( 132) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0030769 k( 133) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0030769 k( 134) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0030769 k( 135) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030769 k( 136) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0030769 k( 137) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030769 k( 138) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0030769 k( 139) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0030769 k( 140) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0030769 k( 141) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0030769 k( 142) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0030769 k( 143) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0030769 k( 144) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0030769 k( 145) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0030769 k( 146) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0030769 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 149) = ( 0.0068493 0.0068493 0.0068493), wk = 0.0030769 k( 150) = ( 0.0136986 0.0136986 0.0136986), wk = 0.0030769 k( 151) = ( 0.0205479 0.0205479 0.0205479), wk = 0.0030769 k( 152) = ( 0.0273973 0.0273973 0.0273973), wk = 0.0030769 k( 153) = ( 0.0342466 0.0342466 0.0342466), wk = 0.0030769 k( 154) = ( 0.0410959 0.0410959 0.0410959), wk = 0.0030769 k( 155) = ( 0.0479452 0.0479452 0.0479452), wk = 0.0030769 k( 156) = ( 0.0547945 0.0547945 0.0547945), wk = 0.0030769 k( 157) = ( 0.0616438 0.0616438 0.0616438), wk = 0.0030769 k( 158) = ( 0.0684932 0.0684932 0.0684931), wk = 0.0030769 k( 159) = ( 0.0753425 0.0753425 0.0753425), wk = 0.0030769 k( 160) = ( 0.0821918 0.0821918 0.0821918), wk = 0.0030769 k( 161) = ( 0.0890411 0.0890411 0.0890411), wk = 0.0030769 k( 162) = ( 0.0958904 0.0958904 0.0958904), wk = 0.0030769 k( 163) = ( 0.1027397 0.1027397 0.1027397), wk = 0.0030769 k( 164) = ( 0.1095890 0.1095890 0.1095890), wk = 0.0030769 k( 165) = ( 0.1164384 0.1164384 0.1164384), wk = 0.0030769 k( 166) = ( 0.1232877 0.1232877 0.1232877), wk = 0.0030769 k( 167) = ( 0.1301370 0.1301370 0.1301370), wk = 0.0030769 k( 168) = ( 0.1369863 0.1369863 0.1369863), wk = 0.0030769 k( 169) = ( 0.1438356 0.1438356 0.1438356), wk = 0.0030769 k( 170) = ( 0.1506849 0.1506849 0.1506849), wk = 0.0030769 k( 171) = ( 0.1575342 0.1575342 0.1575342), wk = 0.0030769 k( 172) = ( 0.1643836 0.1643836 0.1643836), wk = 0.0030769 k( 173) = ( 0.1712329 0.1712329 0.1712329), wk = 0.0030769 k( 174) = ( 0.1780822 0.1780822 0.1780822), wk = 0.0030769 k( 175) = ( 0.1849315 0.1849315 0.1849315), wk = 0.0030769 k( 176) = ( 0.1917808 0.1917808 0.1917808), wk = 0.0030769 k( 177) = ( 0.1986301 0.1986301 0.1986301), wk = 0.0030769 k( 178) = ( 0.2054795 0.2054794 0.2054794), wk = 0.0030769 k( 179) = ( 0.2123288 0.2123288 0.2123288), wk = 0.0030769 k( 180) = ( 0.2191781 0.2191781 0.2191781), wk = 0.0030769 k( 181) = ( 0.2260274 0.2260274 0.2260274), wk = 0.0030769 k( 182) = ( 0.2328767 0.2328767 0.2328767), wk = 0.0030769 k( 183) = ( 0.2397260 0.2397260 0.2397260), wk = 0.0030769 k( 184) = ( 0.2465753 0.2465753 0.2465753), wk = 0.0030769 k( 185) = ( 0.2534247 0.2534247 0.2534247), wk = 0.0030769 k( 186) = ( 0.2602740 0.2602740 0.2602740), wk = 0.0030769 k( 187) = ( 0.2671233 0.2671233 0.2671233), wk = 0.0030769 k( 188) = ( 0.2739726 0.2739726 0.2739726), wk = 0.0030769 k( 189) = ( 0.2808219 0.2808219 0.2808219), wk = 0.0030769 k( 190) = ( 0.2876712 0.2876712 0.2876712), wk = 0.0030769 k( 191) = ( 0.2945205 0.2945205 0.2945205), wk = 0.0030769 k( 192) = ( 0.3013699 0.3013699 0.3013699), wk = 0.0030769 k( 193) = ( 0.3082192 0.3082192 0.3082192), wk = 0.0030769 k( 194) = ( 0.3150685 0.3150685 0.3150685), wk = 0.0030769 k( 195) = ( 0.3219178 0.3219178 0.3219178), wk = 0.0030769 k( 196) = ( 0.3287671 0.3287671 0.3287671), wk = 0.0030769 k( 197) = ( 0.3356164 0.3356164 0.3356164), wk = 0.0030769 k( 198) = ( 0.3424658 0.3424657 0.3424657), wk = 0.0030769 k( 199) = ( 0.3493151 0.3493151 0.3493151), wk = 0.0030769 k( 200) = ( 0.3561644 0.3561644 0.3561644), wk = 0.0030769 k( 201) = ( 0.3630137 0.3630137 0.3630137), wk = 0.0030769 k( 202) = ( 0.3698630 0.3698630 0.3698630), wk = 0.0030769 k( 203) = ( 0.3767123 0.3767123 0.3767123), wk = 0.0030769 k( 204) = ( 0.3835616 0.3835616 0.3835616), wk = 0.0030769 k( 205) = ( 0.3904110 0.3904110 0.3904110), wk = 0.0030769 k( 206) = ( 0.3972603 0.3972603 0.3972603), wk = 0.0030769 k( 207) = ( 0.4041096 0.4041096 0.4041096), wk = 0.0030769 k( 208) = ( 0.4109589 0.4109589 0.4109589), wk = 0.0030769 k( 209) = ( 0.4178082 0.4178082 0.4178082), wk = 0.0030769 k( 210) = ( 0.4246575 0.4246575 0.4246575), wk = 0.0030769 k( 211) = ( 0.4315068 0.4315068 0.4315068), wk = 0.0030769 k( 212) = ( 0.4383562 0.4383562 0.4383562), wk = 0.0030769 k( 213) = ( 0.4452055 0.4452055 0.4452055), wk = 0.0030769 k( 214) = ( 0.4520548 0.4520548 0.4520548), wk = 0.0030769 k( 215) = ( 0.4589041 0.4589041 0.4589041), wk = 0.0030769 k( 216) = ( 0.4657534 0.4657534 0.4657534), wk = 0.0030769 k( 217) = ( 0.4726027 0.4726027 0.4726027), wk = 0.0030769 k( 218) = ( 0.4794521 0.4794520 0.4794520), wk = 0.0030769 k( 219) = ( 0.4863014 0.4863014 0.4863014), wk = 0.0030769 k( 220) = ( 0.4931507 0.4931507 0.4931507), wk = 0.0030769 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 223) = ( 0.4916667 0.5000000 0.4916667), wk = 0.0030769 k( 224) = ( 0.4833333 0.5000000 0.4833333), wk = 0.0030769 k( 225) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0030769 k( 226) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0030769 k( 227) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0030769 k( 228) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0030769 k( 229) = ( 0.4416667 0.5000000 0.4416667), wk = 0.0030769 k( 230) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0030769 k( 231) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0030769 k( 232) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0030769 k( 233) = ( 0.4083333 0.5000000 0.4083333), wk = 0.0030769 k( 234) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0030769 k( 235) = ( 0.3916667 0.5000000 0.3916667), wk = 0.0030769 k( 236) = ( 0.3833333 0.5000000 0.3833333), wk = 0.0030769 k( 237) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0030769 k( 238) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0030769 k( 239) = ( 0.3583333 0.5000000 0.3583333), wk = 0.0030769 k( 240) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0030769 k( 241) = ( 0.3416667 0.5000000 0.3416667), wk = 0.0030769 k( 242) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0030769 k( 243) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0030769 k( 244) = ( 0.3166667 0.5000000 0.3166667), wk = 0.0030769 k( 245) = ( 0.3083333 0.5000000 0.3083333), wk = 0.0030769 k( 246) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0030769 k( 247) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0030769 k( 248) = ( 0.2833333 0.5000000 0.2833333), wk = 0.0030769 k( 249) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0030769 k( 250) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0030769 k( 251) = ( 0.2583333 0.5000000 0.2583333), wk = 0.0030769 k( 252) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0030769 k( 253) = ( 0.2416667 0.5000000 0.2416667), wk = 0.0030769 k( 254) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0030769 k( 255) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0030769 k( 256) = ( 0.2166667 0.5000000 0.2166667), wk = 0.0030769 k( 257) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0030769 k( 258) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0030769 k( 259) = ( 0.1916667 0.5000000 0.1916667), wk = 0.0030769 k( 260) = ( 0.1833333 0.5000000 0.1833333), wk = 0.0030769 k( 261) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0030769 k( 262) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0030769 k( 263) = ( 0.1583333 0.5000000 0.1583333), wk = 0.0030769 k( 264) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0030769 k( 265) = ( 0.1416667 0.5000000 0.1416667), wk = 0.0030769 k( 266) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0030769 k( 267) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0030769 k( 268) = ( 0.1166667 0.5000000 0.1166667), wk = 0.0030769 k( 269) = ( 0.1083333 0.5000000 0.1083333), wk = 0.0030769 k( 270) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0030769 k( 271) = ( 0.0916667 0.5000000 0.0916667), wk = 0.0030769 k( 272) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0030769 k( 273) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0030769 k( 274) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0030769 k( 275) = ( 0.0583333 0.5000000 0.0583333), wk = 0.0030769 k( 276) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0030769 k( 277) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0030769 k( 278) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0030769 k( 279) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0030769 k( 280) = ( 0.0166667 0.5000000 0.0166667), wk = 0.0030769 k( 281) = ( 0.0083333 0.5000000 0.0083333), wk = 0.0030769 k( 282) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 283) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030769 k( 284) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0030769 k( 285) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0030769 k( 286) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0030769 k( 287) = ( 0.5000000 0.5000000 0.0476190), wk = 0.0030769 k( 288) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0030769 k( 289) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0030769 k( 290) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0030769 k( 291) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0030769 k( 292) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0030769 k( 293) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0030769 k( 294) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0030769 k( 295) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0030769 k( 296) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0030769 k( 297) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0030769 k( 298) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0030769 k( 299) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0030769 k( 300) = ( 0.5000000 0.5000000 0.2023809), wk = 0.0030769 k( 301) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0030769 k( 302) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0030769 k( 303) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0030769 k( 304) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030769 k( 305) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0030769 k( 306) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0030769 k( 307) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0030769 k( 308) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0030769 k( 309) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0030769 k( 310) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0030769 k( 311) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0030769 k( 312) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0030769 k( 313) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0030769 k( 314) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0030769 k( 315) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0030769 k( 316) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0030769 k( 317) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0030769 k( 318) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0030769 k( 319) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0030769 k( 320) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0030769 k( 321) = ( 0.5000000 0.5000000 0.4523809), wk = 0.0030769 k( 322) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0030769 k( 323) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0030769 k( 324) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0030769 k( 325) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0000000 0.0119048 0.0000000), wk = 0.0030769 k( 3) = ( 0.0000000 0.0238095 0.0000000), wk = 0.0030769 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0030769 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0030769 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0030769 k( 7) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0030769 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0030769 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0030769 k( 10) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0030769 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0030769 k( 12) = ( 0.0000000 0.1309524 0.0000000), wk = 0.0030769 k( 13) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0030769 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0030769 k( 15) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0030769 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0030769 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0030769 k( 18) = ( 0.0000000 0.2023810 0.0000000), wk = 0.0030769 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0030769 k( 20) = ( 0.0000000 0.2261905 0.0000000), wk = 0.0030769 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0030769 k( 22) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0030769 k( 23) = ( 0.0000000 0.2619048 0.0000000), wk = 0.0030769 k( 24) = ( 0.0000000 0.2738095 0.0000000), wk = 0.0030769 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0030769 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0030769 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0030769 k( 28) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0030769 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0030769 k( 30) = ( 0.0000000 0.3452381 0.0000000), wk = 0.0030769 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0030769 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0030769 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0030769 k( 34) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0030769 k( 35) = ( 0.0000000 0.4047619 0.0000000), wk = 0.0030769 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0030769 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0030769 k( 38) = ( 0.0000000 0.4404762 0.0000000), wk = 0.0030769 k( 39) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0030769 k( 40) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0030769 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0030769 k( 42) = ( 0.0000000 0.4880952 0.0000000), wk = 0.0030769 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 45) = ( 0.0119048 0.5000000 0.0000000), wk = 0.0030769 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0030769 k( 47) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0030769 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0030769 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0030769 k( 50) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0030769 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0030769 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0030769 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0030769 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0030769 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0030769 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0030769 k( 57) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0030769 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0030769 k( 59) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0030769 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0030769 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0030769 k( 62) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0030769 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0030769 k( 64) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0030769 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0030769 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0030769 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0030769 k( 68) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0030769 k( 69) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0030769 k( 70) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0030769 k( 71) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0030769 k( 72) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0030769 k( 73) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0030769 k( 74) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0030769 k( 75) = ( 0.3690476 0.5000000 0.0000000), wk = 0.0030769 k( 76) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0030769 k( 77) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0030769 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0030769 k( 79) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0030769 k( 80) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0030769 k( 81) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0030769 k( 82) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0030769 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0030769 k( 84) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0030769 k( 85) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0030769 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 88) = ( 0.4916667 0.4916667 0.0000000), wk = 0.0030769 k( 89) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0030769 k( 90) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0030769 k( 91) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0030769 k( 92) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0030769 k( 93) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0030769 k( 94) = ( 0.4416667 0.4416667 0.0000000), wk = 0.0030769 k( 95) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0030769 k( 96) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0030769 k( 97) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0030769 k( 98) = ( 0.4083333 0.4083333 0.0000000), wk = 0.0030769 k( 99) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030769 k( 100) = ( 0.3916667 0.3916667 0.0000000), wk = 0.0030769 k( 101) = ( 0.3833333 0.3833333 0.0000000), wk = 0.0030769 k( 102) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0030769 k( 103) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0030769 k( 104) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0030769 k( 105) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0030769 k( 106) = ( 0.3416667 0.3416667 0.0000000), wk = 0.0030769 k( 107) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030769 k( 108) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0030769 k( 109) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0030769 k( 110) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0030769 k( 111) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0030769 k( 112) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0030769 k( 113) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0030769 k( 114) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0030769 k( 115) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0030769 k( 116) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0030769 k( 117) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030769 k( 118) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0030769 k( 119) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0030769 k( 120) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0030769 k( 121) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0030769 k( 122) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0030769 k( 123) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030769 k( 124) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0030769 k( 125) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0030769 k( 126) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0030769 k( 127) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030769 k( 128) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0030769 k( 129) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0030769 k( 130) = ( 0.1416667 0.1416667 0.0000000), wk = 0.0030769 k( 131) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0030769 k( 132) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0030769 k( 133) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0030769 k( 134) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0030769 k( 135) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030769 k( 136) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0030769 k( 137) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0030769 k( 138) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0030769 k( 139) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0030769 k( 140) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0030769 k( 141) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0030769 k( 142) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0030769 k( 143) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0030769 k( 144) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0030769 k( 145) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0030769 k( 146) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0030769 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 149) = ( 0.0068493 0.0068493 0.0068493), wk = 0.0030769 k( 150) = ( 0.0136986 0.0136986 0.0136986), wk = 0.0030769 k( 151) = ( 0.0205479 0.0205479 0.0205479), wk = 0.0030769 k( 152) = ( 0.0273973 0.0273973 0.0273973), wk = 0.0030769 k( 153) = ( 0.0342466 0.0342466 0.0342466), wk = 0.0030769 k( 154) = ( 0.0410959 0.0410959 0.0410959), wk = 0.0030769 k( 155) = ( 0.0479452 0.0479452 0.0479452), wk = 0.0030769 k( 156) = ( 0.0547945 0.0547945 0.0547945), wk = 0.0030769 k( 157) = ( 0.0616438 0.0616438 0.0616438), wk = 0.0030769 k( 158) = ( 0.0684932 0.0684932 0.0684932), wk = 0.0030769 k( 159) = ( 0.0753425 0.0753425 0.0753425), wk = 0.0030769 k( 160) = ( 0.0821918 0.0821918 0.0821918), wk = 0.0030769 k( 161) = ( 0.0890411 0.0890411 0.0890411), wk = 0.0030769 k( 162) = ( 0.0958904 0.0958904 0.0958904), wk = 0.0030769 k( 163) = ( 0.1027397 0.1027397 0.1027397), wk = 0.0030769 k( 164) = ( 0.1095890 0.1095890 0.1095890), wk = 0.0030769 k( 165) = ( 0.1164384 0.1164384 0.1164384), wk = 0.0030769 k( 166) = ( 0.1232877 0.1232877 0.1232877), wk = 0.0030769 k( 167) = ( 0.1301370 0.1301370 0.1301370), wk = 0.0030769 k( 168) = ( 0.1369863 0.1369863 0.1369863), wk = 0.0030769 k( 169) = ( 0.1438356 0.1438356 0.1438356), wk = 0.0030769 k( 170) = ( 0.1506849 0.1506849 0.1506849), wk = 0.0030769 k( 171) = ( 0.1575342 0.1575342 0.1575342), wk = 0.0030769 k( 172) = ( 0.1643836 0.1643836 0.1643836), wk = 0.0030769 k( 173) = ( 0.1712329 0.1712329 0.1712329), wk = 0.0030769 k( 174) = ( 0.1780822 0.1780822 0.1780822), wk = 0.0030769 k( 175) = ( 0.1849315 0.1849315 0.1849315), wk = 0.0030769 k( 176) = ( 0.1917808 0.1917808 0.1917808), wk = 0.0030769 k( 177) = ( 0.1986301 0.1986301 0.1986301), wk = 0.0030769 k( 178) = ( 0.2054795 0.2054795 0.2054795), wk = 0.0030769 k( 179) = ( 0.2123288 0.2123288 0.2123288), wk = 0.0030769 k( 180) = ( 0.2191781 0.2191781 0.2191781), wk = 0.0030769 k( 181) = ( 0.2260274 0.2260274 0.2260274), wk = 0.0030769 k( 182) = ( 0.2328767 0.2328767 0.2328767), wk = 0.0030769 k( 183) = ( 0.2397260 0.2397260 0.2397260), wk = 0.0030769 k( 184) = ( 0.2465753 0.2465753 0.2465753), wk = 0.0030769 k( 185) = ( 0.2534247 0.2534247 0.2534247), wk = 0.0030769 k( 186) = ( 0.2602740 0.2602740 0.2602740), wk = 0.0030769 k( 187) = ( 0.2671233 0.2671233 0.2671233), wk = 0.0030769 k( 188) = ( 0.2739726 0.2739726 0.2739726), wk = 0.0030769 k( 189) = ( 0.2808219 0.2808219 0.2808219), wk = 0.0030769 k( 190) = ( 0.2876712 0.2876712 0.2876712), wk = 0.0030769 k( 191) = ( 0.2945205 0.2945205 0.2945205), wk = 0.0030769 k( 192) = ( 0.3013699 0.3013699 0.3013699), wk = 0.0030769 k( 193) = ( 0.3082192 0.3082192 0.3082192), wk = 0.0030769 k( 194) = ( 0.3150685 0.3150685 0.3150685), wk = 0.0030769 k( 195) = ( 0.3219178 0.3219178 0.3219178), wk = 0.0030769 k( 196) = ( 0.3287671 0.3287671 0.3287671), wk = 0.0030769 k( 197) = ( 0.3356164 0.3356164 0.3356164), wk = 0.0030769 k( 198) = ( 0.3424658 0.3424658 0.3424658), wk = 0.0030769 k( 199) = ( 0.3493151 0.3493151 0.3493151), wk = 0.0030769 k( 200) = ( 0.3561644 0.3561644 0.3561644), wk = 0.0030769 k( 201) = ( 0.3630137 0.3630137 0.3630137), wk = 0.0030769 k( 202) = ( 0.3698630 0.3698630 0.3698630), wk = 0.0030769 k( 203) = ( 0.3767123 0.3767123 0.3767123), wk = 0.0030769 k( 204) = ( 0.3835616 0.3835616 0.3835616), wk = 0.0030769 k( 205) = ( 0.3904110 0.3904110 0.3904110), wk = 0.0030769 k( 206) = ( 0.3972603 0.3972603 0.3972603), wk = 0.0030769 k( 207) = ( 0.4041096 0.4041096 0.4041096), wk = 0.0030769 k( 208) = ( 0.4109589 0.4109589 0.4109589), wk = 0.0030769 k( 209) = ( 0.4178082 0.4178082 0.4178082), wk = 0.0030769 k( 210) = ( 0.4246575 0.4246575 0.4246575), wk = 0.0030769 k( 211) = ( 0.4315068 0.4315068 0.4315068), wk = 0.0030769 k( 212) = ( 0.4383562 0.4383562 0.4383562), wk = 0.0030769 k( 213) = ( 0.4452055 0.4452055 0.4452055), wk = 0.0030769 k( 214) = ( 0.4520548 0.4520548 0.4520548), wk = 0.0030769 k( 215) = ( 0.4589041 0.4589041 0.4589041), wk = 0.0030769 k( 216) = ( 0.4657534 0.4657534 0.4657534), wk = 0.0030769 k( 217) = ( 0.4726027 0.4726027 0.4726027), wk = 0.0030769 k( 218) = ( 0.4794521 0.4794521 0.4794521), wk = 0.0030769 k( 219) = ( 0.4863014 0.4863014 0.4863014), wk = 0.0030769 k( 220) = ( 0.4931507 0.4931507 0.4931507), wk = 0.0030769 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 223) = ( 0.4916667 0.5000000 0.4916667), wk = 0.0030769 k( 224) = ( 0.4833333 0.5000000 0.4833333), wk = 0.0030769 k( 225) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0030769 k( 226) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0030769 k( 227) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0030769 k( 228) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0030769 k( 229) = ( 0.4416667 0.5000000 0.4416667), wk = 0.0030769 k( 230) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0030769 k( 231) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0030769 k( 232) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0030769 k( 233) = ( 0.4083333 0.5000000 0.4083333), wk = 0.0030769 k( 234) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0030769 k( 235) = ( 0.3916667 0.5000000 0.3916667), wk = 0.0030769 k( 236) = ( 0.3833333 0.5000000 0.3833333), wk = 0.0030769 k( 237) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0030769 k( 238) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0030769 k( 239) = ( 0.3583333 0.5000000 0.3583333), wk = 0.0030769 k( 240) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0030769 k( 241) = ( 0.3416667 0.5000000 0.3416667), wk = 0.0030769 k( 242) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0030769 k( 243) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0030769 k( 244) = ( 0.3166667 0.5000000 0.3166667), wk = 0.0030769 k( 245) = ( 0.3083333 0.5000000 0.3083333), wk = 0.0030769 k( 246) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0030769 k( 247) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0030769 k( 248) = ( 0.2833333 0.5000000 0.2833333), wk = 0.0030769 k( 249) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0030769 k( 250) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0030769 k( 251) = ( 0.2583333 0.5000000 0.2583333), wk = 0.0030769 k( 252) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0030769 k( 253) = ( 0.2416667 0.5000000 0.2416667), wk = 0.0030769 k( 254) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0030769 k( 255) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0030769 k( 256) = ( 0.2166667 0.5000000 0.2166667), wk = 0.0030769 k( 257) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0030769 k( 258) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0030769 k( 259) = ( 0.1916667 0.5000000 0.1916667), wk = 0.0030769 k( 260) = ( 0.1833333 0.5000000 0.1833333), wk = 0.0030769 k( 261) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0030769 k( 262) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0030769 k( 263) = ( 0.1583333 0.5000000 0.1583333), wk = 0.0030769 k( 264) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0030769 k( 265) = ( 0.1416667 0.5000000 0.1416667), wk = 0.0030769 k( 266) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0030769 k( 267) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0030769 k( 268) = ( 0.1166667 0.5000000 0.1166667), wk = 0.0030769 k( 269) = ( 0.1083333 0.5000000 0.1083333), wk = 0.0030769 k( 270) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0030769 k( 271) = ( 0.0916667 0.5000000 0.0916667), wk = 0.0030769 k( 272) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0030769 k( 273) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0030769 k( 274) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0030769 k( 275) = ( 0.0583333 0.5000000 0.0583333), wk = 0.0030769 k( 276) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0030769 k( 277) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0030769 k( 278) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0030769 k( 279) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0030769 k( 280) = ( 0.0166667 0.5000000 0.0166667), wk = 0.0030769 k( 281) = ( 0.0083333 0.5000000 0.0083333), wk = 0.0030769 k( 282) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 283) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 284) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0030769 k( 285) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0030769 k( 286) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0030769 k( 287) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0030769 k( 288) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0030769 k( 289) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0030769 k( 290) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0030769 k( 291) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0030769 k( 292) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0030769 k( 293) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0030769 k( 294) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0030769 k( 295) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0030769 k( 296) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0030769 k( 297) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0030769 k( 298) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0030769 k( 299) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0030769 k( 300) = ( 0.5000000 0.5000000 0.2023810), wk = 0.0030769 k( 301) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0030769 k( 302) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0030769 k( 303) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0030769 k( 304) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030769 k( 305) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0030769 k( 306) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0030769 k( 307) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0030769 k( 308) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0030769 k( 309) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0030769 k( 310) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0030769 k( 311) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0030769 k( 312) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0030769 k( 313) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0030769 k( 314) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0030769 k( 315) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0030769 k( 316) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0030769 k( 317) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0030769 k( 318) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0030769 k( 319) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0030769 k( 320) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0030769 k( 321) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0030769 k( 322) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0030769 k( 323) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0030769 k( 324) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0030769 k( 325) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 Dense grid: 24885 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 14531 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 106, 32) NL pseudopotentials 0.05 Mb ( 53, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 693) G-vector shells 0.00 Mb ( 190) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.21 Mb ( 106, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.07 Mb ( 68, 2, 32) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./YTl.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.7 secs Computing kpt #: 9 total cpu time spent up to now is 3.8 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.2 secs Computing kpt #: 13 total cpu time spent up to now is 4.3 secs Computing kpt #: 14 total cpu time spent up to now is 4.4 secs Computing kpt #: 15 total cpu time spent up to now is 4.5 secs Computing kpt #: 16 total cpu time spent up to now is 4.6 secs Computing kpt #: 17 total cpu time spent up to now is 4.7 secs Computing kpt #: 18 total cpu time spent up to now is 4.8 secs Computing kpt #: 19 total cpu time spent up to now is 4.9 secs Computing kpt #: 20 total cpu time spent up to now is 5.0 secs Computing kpt #: 21 total cpu time spent up to now is 5.1 secs Computing kpt #: 22 total cpu time spent up to now is 5.2 secs Computing kpt #: 23 total cpu time spent up to now is 5.3 secs Computing kpt #: 24 total cpu time spent up to now is 5.4 secs Computing kpt #: 25 total cpu time spent up to now is 5.5 secs Computing kpt #: 26 total cpu time spent up to now is 5.6 secs Computing kpt #: 27 total cpu time spent up to now is 5.7 secs Computing kpt #: 28 total cpu time spent up to now is 5.8 secs Computing kpt #: 29 total cpu time spent up to now is 5.9 secs Computing kpt #: 30 total cpu time spent up to now is 6.0 secs Computing kpt #: 31 total cpu time spent up to now is 6.1 secs Computing kpt #: 32 total cpu time spent up to now is 6.2 secs Computing kpt #: 33 total cpu time spent up to now is 6.3 secs Computing kpt #: 34 total cpu time spent up to now is 6.4 secs Computing kpt #: 35 total cpu time spent up to now is 6.5 secs Computing kpt #: 36 total cpu time spent up to now is 6.7 secs Computing kpt #: 37 total cpu time spent up to now is 6.8 secs Computing kpt #: 38 total cpu time spent up to now is 6.9 secs Computing kpt #: 39 total cpu time spent up to now is 7.0 secs Computing kpt #: 40 total cpu time spent up to now is 7.1 secs Computing kpt #: 41 total cpu time spent up to now is 7.2 secs Computing kpt #: 42 total cpu time spent up to now is 7.3 secs Computing kpt #: 43 total cpu time spent up to now is 7.4 secs Computing kpt #: 44 total cpu time spent up to now is 7.5 secs Computing kpt #: 45 total cpu time spent up to now is 7.6 secs Computing kpt #: 46 total cpu time spent up to now is 7.7 secs Computing kpt #: 47 total cpu time spent up to now is 7.8 secs Computing kpt #: 48 total cpu time spent up to now is 7.9 secs Computing kpt #: 49 total cpu time spent up to now is 8.0 secs Computing kpt #: 50 total cpu time spent up to now is 8.1 secs Computing kpt #: 51 total cpu time spent up to now is 8.2 secs Computing kpt #: 52 total cpu time spent up to now is 8.3 secs Computing kpt #: 53 total cpu time spent up to now is 8.4 secs Computing kpt #: 54 total cpu time spent up to now is 8.5 secs Computing kpt #: 55 total cpu time spent up to now is 8.6 secs Computing kpt #: 56 total cpu time spent up to now is 8.7 secs Computing kpt #: 57 total cpu time spent up to now is 8.8 secs Computing kpt #: 58 total cpu time spent up to now is 8.9 secs Computing kpt #: 59 total cpu time spent up to now is 9.0 secs Computing kpt #: 60 total cpu time spent up to now is 9.1 secs Computing kpt #: 61 total cpu time spent up to now is 9.2 secs Computing kpt #: 62 total cpu time spent up to now is 9.3 secs Computing kpt #: 63 total cpu time spent up to now is 9.4 secs Computing kpt #: 64 total cpu time spent up to now is 9.5 secs Computing kpt #: 65 total cpu time spent up to now is 9.7 secs Computing kpt #: 66 total cpu time spent up to now is 9.8 secs Computing kpt #: 67 total cpu time spent up to now is 9.9 secs Computing kpt #: 68 total cpu time spent up to now is 10.0 secs Computing kpt #: 69 total cpu time spent up to now is 10.1 secs Computing kpt #: 70 total cpu time spent up to now is 10.3 secs Computing kpt #: 71 total cpu time spent up to now is 10.4 secs Computing kpt #: 72 total cpu time spent up to now is 10.6 secs Computing kpt #: 73 total cpu time spent up to now is 10.7 secs Computing kpt #: 74 total cpu time spent up to now is 10.9 secs Computing kpt #: 75 total cpu time spent up to now is 11.1 secs Computing kpt #: 76 total cpu time spent up to now is 11.2 secs Computing kpt #: 77 total cpu time spent up to now is 11.4 secs Computing kpt #: 78 total cpu time spent up to now is 11.6 secs Computing kpt #: 79 total cpu time spent up to now is 11.7 secs Computing kpt #: 80 total cpu time spent up to now is 11.9 secs Computing kpt #: 81 total cpu time spent up to now is 12.1 secs Computing kpt #: 82 total cpu time spent up to now is 12.2 secs Computing kpt #: 83 total cpu time spent up to now is 12.4 secs Computing kpt #: 84 total cpu time spent up to now is 12.5 secs Computing kpt #: 85 total cpu time spent up to now is 12.7 secs Computing kpt #: 86 total cpu time spent up to now is 12.8 secs Computing kpt #: 87 total cpu time spent up to now is 13.0 secs Computing kpt #: 88 total cpu time spent up to now is 13.1 secs Computing kpt #: 89 total cpu time spent up to now is 13.3 secs Computing kpt #: 90 total cpu time spent up to now is 13.4 secs Computing kpt #: 91 total cpu time spent up to now is 13.6 secs Computing kpt #: 92 total cpu time spent up to now is 13.7 secs Computing kpt #: 93 total cpu time spent up to now is 13.9 secs Computing kpt #: 94 total cpu time spent up to now is 14.1 secs Computing kpt #: 95 total cpu time spent up to now is 14.2 secs Computing kpt #: 96 total cpu time spent up to now is 14.4 secs Computing kpt #: 97 total cpu time spent up to now is 14.5 secs Computing kpt #: 98 total cpu time spent up to now is 14.7 secs Computing kpt #: 99 total cpu time spent up to now is 14.8 secs Computing kpt #: 100 total cpu time spent up to now is 15.0 secs Computing kpt #: 101 total cpu time spent up to now is 15.1 secs Computing kpt #: 102 total cpu time spent up to now is 15.2 secs Computing kpt #: 103 total cpu time spent up to now is 15.4 secs Computing kpt #: 104 total cpu time spent up to now is 15.5 secs Computing kpt #: 105 total cpu time spent up to now is 15.6 secs Computing kpt #: 106 total cpu time spent up to now is 15.7 secs Computing kpt #: 107 total cpu time spent up to now is 15.9 secs Computing kpt #: 108 total cpu time spent up to now is 16.0 secs Computing kpt #: 109 total cpu time spent up to now is 16.1 secs Computing kpt #: 110 total cpu time spent up to now is 16.2 secs Computing kpt #: 111 total cpu time spent up to now is 16.4 secs Computing kpt #: 112 total cpu time spent up to now is 16.5 secs Computing kpt #: 113 total cpu time spent up to now is 16.6 secs Computing kpt #: 114 total cpu time spent up to now is 16.7 secs Computing kpt #: 115 total cpu time spent up to now is 16.9 secs Computing kpt #: 116 total cpu time spent up to now is 17.0 secs Computing kpt #: 117 total cpu time spent up to now is 17.1 secs Computing kpt #: 118 total cpu time spent up to now is 17.2 secs Computing kpt #: 119 total cpu time spent up to now is 17.4 secs Computing kpt #: 120 total cpu time spent up to now is 17.5 secs Computing kpt #: 121 total cpu time spent up to now is 17.6 secs Computing kpt #: 122 total cpu time spent up to now is 17.7 secs Computing kpt #: 123 total cpu time spent up to now is 17.9 secs Computing kpt #: 124 total cpu time spent up to now is 18.0 secs Computing kpt #: 125 total cpu time spent up to now is 18.1 secs Computing kpt #: 126 total cpu time spent up to now is 18.2 secs Computing kpt #: 127 total cpu time spent up to now is 18.4 secs Computing kpt #: 128 total cpu time spent up to now is 18.5 secs Computing kpt #: 129 total cpu time spent up to now is 18.6 secs Computing kpt #: 130 total cpu time spent up to now is 18.8 secs Computing kpt #: 131 total cpu time spent up to now is 18.9 secs Computing kpt #: 132 total cpu time spent up to now is 19.1 secs Computing kpt #: 133 total cpu time spent up to now is 19.2 secs Computing kpt #: 134 total cpu time spent up to now is 19.3 secs Computing kpt #: 135 total cpu time spent up to now is 19.5 secs Computing kpt #: 136 total cpu time spent up to now is 19.6 secs Computing kpt #: 137 total cpu time spent up to now is 19.7 secs Computing kpt #: 138 total cpu time spent up to now is 19.9 secs Computing kpt #: 139 total cpu time spent up to now is 20.0 secs Computing kpt #: 140 total cpu time spent up to now is 20.2 secs Computing kpt #: 141 total cpu time spent up to now is 20.3 secs Computing kpt #: 142 total cpu time spent up to now is 20.5 secs Computing kpt #: 143 total cpu time spent up to now is 20.6 secs Computing kpt #: 144 total cpu time spent up to now is 20.7 secs Computing kpt #: 145 total cpu time spent up to now is 20.9 secs Computing kpt #: 146 total cpu time spent up to now is 21.1 secs Computing kpt #: 147 total cpu time spent up to now is 21.2 secs Computing kpt #: 148 total cpu time spent up to now is 21.3 secs Computing kpt #: 149 total cpu time spent up to now is 21.4 secs Computing kpt #: 150 total cpu time spent up to now is 21.6 secs Computing kpt #: 151 total cpu time spent up to now is 21.7 secs Computing kpt #: 152 total cpu time spent up to now is 21.9 secs Computing kpt #: 153 total cpu time spent up to now is 22.0 secs Computing kpt #: 154 total cpu time spent up to now is 22.2 secs Computing kpt #: 155 total cpu time spent up to now is 22.3 secs Computing kpt #: 156 total cpu time spent up to now is 22.4 secs Computing kpt #: 157 total cpu time spent up to now is 22.6 secs Computing kpt #: 158 total cpu time spent up to now is 22.7 secs Computing kpt #: 159 total cpu time spent up to now is 22.9 secs Computing kpt #: 160 total cpu time spent up to now is 23.0 secs Computing kpt #: 161 total cpu time spent up to now is 23.2 secs Computing kpt #: 162 total cpu time spent up to now is 23.3 secs Computing kpt #: 163 total cpu time spent up to now is 23.4 secs Computing kpt #: 164 total cpu time spent up to now is 23.6 secs Computing kpt #: 165 total cpu time spent up to now is 23.7 secs Computing kpt #: 166 total cpu time spent up to now is 23.9 secs Computing kpt #: 167 total cpu time spent up to now is 24.0 secs Computing kpt #: 168 total cpu time spent up to now is 24.1 secs Computing kpt #: 169 total cpu time spent up to now is 24.2 secs Computing kpt #: 170 total cpu time spent up to now is 24.4 secs Computing kpt #: 171 total cpu time spent up to now is 24.5 secs Computing kpt #: 172 total cpu time spent up to now is 24.6 secs Computing kpt #: 173 total cpu time spent up to now is 24.7 secs Computing kpt #: 174 total cpu time spent up to now is 24.9 secs Computing kpt #: 175 total cpu time spent up to now is 25.0 secs Computing kpt #: 176 total cpu time spent up to now is 25.1 secs Computing kpt #: 177 total cpu time spent up to now is 25.2 secs Computing kpt #: 178 total cpu time spent up to now is 25.3 secs Computing kpt #: 179 total cpu time spent up to now is 25.4 secs Computing kpt #: 180 total cpu time spent up to now is 25.6 secs Computing kpt #: 181 total cpu time spent up to now is 25.7 secs Computing kpt #: 182 total cpu time spent up to now is 25.8 secs Computing kpt #: 183 total cpu time spent up to now is 25.9 secs Computing kpt #: 184 total cpu time spent up to now is 26.0 secs Computing kpt #: 185 total cpu time spent up to now is 26.1 secs Computing kpt #: 186 total cpu time spent up to now is 26.2 secs Computing kpt #: 187 total cpu time spent up to now is 26.3 secs Computing kpt #: 188 total cpu time spent up to now is 26.4 secs Computing kpt #: 189 total cpu time spent up to now is 26.5 secs Computing kpt #: 190 total cpu time spent up to now is 26.7 secs Computing kpt #: 191 total cpu time spent up to now is 26.8 secs Computing kpt #: 192 total cpu time spent up to now is 26.9 secs Computing kpt #: 193 total cpu time spent up to now is 27.0 secs Computing kpt #: 194 total cpu time spent up to now is 27.1 secs Computing kpt #: 195 total cpu time spent up to now is 27.2 secs Computing kpt #: 196 total cpu time spent up to now is 27.3 secs Computing kpt #: 197 total cpu time spent up to now is 27.4 secs Computing kpt #: 198 total cpu time spent up to now is 27.5 secs Computing kpt #: 199 total cpu time spent up to now is 27.7 secs Computing kpt #: 200 total cpu time spent up to now is 27.8 secs Computing kpt #: 201 total cpu time spent up to now is 27.9 secs Computing kpt #: 202 total cpu time spent up to now is 28.0 secs Computing kpt #: 203 total cpu time spent up to now is 28.1 secs Computing kpt #: 204 total cpu time spent up to now is 28.2 secs Computing kpt #: 205 total cpu time spent up to now is 28.4 secs Computing kpt #: 206 total cpu time spent up to now is 28.5 secs Computing kpt #: 207 total cpu time spent up to now is 28.6 secs Computing kpt #: 208 total cpu time spent up to now is 28.7 secs Computing kpt #: 209 total cpu time spent up to now is 28.8 secs Computing kpt #: 210 total cpu time spent up to now is 29.0 secs Computing kpt #: 211 total cpu time spent up to now is 29.1 secs Computing kpt #: 212 total cpu time spent up to now is 29.2 secs Computing kpt #: 213 total cpu time spent up to now is 29.3 secs Computing kpt #: 214 total cpu time spent up to now is 29.5 secs Computing kpt #: 215 total cpu time spent up to now is 29.6 secs Computing kpt #: 216 total cpu time spent up to now is 29.7 secs Computing kpt #: 217 total cpu time spent up to now is 29.9 secs Computing kpt #: 218 total cpu time spent up to now is 30.0 secs Computing kpt #: 219 total cpu time spent up to now is 30.2 secs Computing kpt #: 220 total cpu time spent up to now is 30.3 secs Computing kpt #: 221 total cpu time spent up to now is 30.5 secs Computing kpt #: 222 total cpu time spent up to now is 30.6 secs Computing kpt #: 223 total cpu time spent up to now is 30.8 secs Computing kpt #: 224 total cpu time spent up to now is 30.9 secs Computing kpt #: 225 total cpu time spent up to now is 31.1 secs Computing kpt #: 226 total cpu time spent up to now is 31.2 secs Computing kpt #: 227 total cpu time spent up to now is 31.4 secs Computing kpt #: 228 total cpu time spent up to now is 31.5 secs Computing kpt #: 229 total cpu time spent up to now is 31.7 secs Computing kpt #: 230 total cpu time spent up to now is 31.8 secs Computing kpt #: 231 total cpu time spent up to now is 32.0 secs Computing kpt #: 232 total cpu time spent up to now is 32.2 secs Computing kpt #: 233 total cpu time spent up to now is 32.3 secs Computing kpt #: 234 total cpu time spent up to now is 32.4 secs Computing kpt #: 235 total cpu time spent up to now is 32.6 secs Computing kpt #: 236 total cpu time spent up to now is 32.7 secs Computing kpt #: 237 total cpu time spent up to now is 32.8 secs Computing kpt #: 238 total cpu time spent up to now is 33.0 secs Computing kpt #: 239 total cpu time spent up to now is 33.1 secs Computing kpt #: 240 total cpu time spent up to now is 33.2 secs Computing kpt #: 241 total cpu time spent up to now is 33.3 secs Computing kpt #: 242 total cpu time spent up to now is 33.4 secs Computing kpt #: 243 total cpu time spent up to now is 33.6 secs Computing kpt #: 244 total cpu time spent up to now is 33.7 secs Computing kpt #: 245 total cpu time spent up to now is 33.8 secs Computing kpt #: 246 total cpu time spent up to now is 33.9 secs Computing kpt #: 247 total cpu time spent up to now is 34.0 secs Computing kpt #: 248 total cpu time spent up to now is 34.1 secs Computing kpt #: 249 total cpu time spent up to now is 34.2 secs Computing kpt #: 250 total cpu time spent up to now is 34.3 secs Computing kpt #: 251 total cpu time spent up to now is 34.4 secs Computing kpt #: 252 total cpu time spent up to now is 34.5 secs Computing kpt #: 253 total cpu time spent up to now is 34.6 secs Computing kpt #: 254 total cpu time spent up to now is 34.7 secs Computing kpt #: 255 total cpu time spent up to now is 34.8 secs Computing kpt #: 256 total cpu time spent up to now is 34.9 secs Computing kpt #: 257 total cpu time spent up to now is 35.1 secs Computing kpt #: 258 total cpu time spent up to now is 35.2 secs Computing kpt #: 259 total cpu time spent up to now is 35.3 secs Computing kpt #: 260 total cpu time spent up to now is 35.4 secs Computing kpt #: 261 total cpu time spent up to now is 35.6 secs Computing kpt #: 262 total cpu time spent up to now is 35.8 secs Computing kpt #: 263 total cpu time spent up to now is 35.9 secs Computing kpt #: 264 total cpu time spent up to now is 36.1 secs Computing kpt #: 265 total cpu time spent up to now is 36.2 secs Computing kpt #: 266 total cpu time spent up to now is 36.3 secs Computing kpt #: 267 total cpu time spent up to now is 36.4 secs Computing kpt #: 268 total cpu time spent up to now is 36.5 secs Computing kpt #: 269 total cpu time spent up to now is 36.6 secs Computing kpt #: 270 total cpu time spent up to now is 36.7 secs Computing kpt #: 271 total cpu time spent up to now is 36.8 secs Computing kpt #: 272 total cpu time spent up to now is 36.9 secs Computing kpt #: 273 total cpu time spent up to now is 37.0 secs Computing kpt #: 274 total cpu time spent up to now is 37.1 secs Computing kpt #: 275 total cpu time spent up to now is 37.2 secs Computing kpt #: 276 total cpu time spent up to now is 37.3 secs Computing kpt #: 277 total cpu time spent up to now is 37.4 secs Computing kpt #: 278 total cpu time spent up to now is 37.5 secs Computing kpt #: 279 total cpu time spent up to now is 37.6 secs Computing kpt #: 280 total cpu time spent up to now is 37.7 secs Computing kpt #: 281 total cpu time spent up to now is 37.8 secs Computing kpt #: 282 total cpu time spent up to now is 37.9 secs Computing kpt #: 283 total cpu time spent up to now is 38.0 secs Computing kpt #: 284 total cpu time spent up to now is 38.2 secs Computing kpt #: 285 total cpu time spent up to now is 38.3 secs Computing kpt #: 286 total cpu time spent up to now is 38.5 secs Computing kpt #: 287 total cpu time spent up to now is 38.6 secs Computing kpt #: 288 total cpu time spent up to now is 38.7 secs Computing kpt #: 289 total cpu time spent up to now is 38.9 secs Computing kpt #: 290 total cpu time spent up to now is 39.0 secs Computing kpt #: 291 total cpu time spent up to now is 39.1 secs Computing kpt #: 292 total cpu time spent up to now is 39.2 secs Computing kpt #: 293 total cpu time spent up to now is 39.3 secs Computing kpt #: 294 total cpu time spent up to now is 39.4 secs Computing kpt #: 295 total cpu time spent up to now is 39.6 secs Computing kpt #: 296 total cpu time spent up to now is 39.7 secs Computing kpt #: 297 total cpu time spent up to now is 39.8 secs Computing kpt #: 298 total cpu time spent up to now is 39.9 secs Computing kpt #: 299 total cpu time spent up to now is 40.0 secs Computing kpt #: 300 total cpu time spent up to now is 40.1 secs Computing kpt #: 301 total cpu time spent up to now is 40.2 secs Computing kpt #: 302 total cpu time spent up to now is 40.3 secs Computing kpt #: 303 total cpu time spent up to now is 40.5 secs Computing kpt #: 304 total cpu time spent up to now is 40.6 secs Computing kpt #: 305 total cpu time spent up to now is 40.7 secs Computing kpt #: 306 total cpu time spent up to now is 40.8 secs Computing kpt #: 307 total cpu time spent up to now is 41.0 secs Computing kpt #: 308 total cpu time spent up to now is 41.1 secs Computing kpt #: 309 total cpu time spent up to now is 41.2 secs Computing kpt #: 310 total cpu time spent up to now is 41.4 secs Computing kpt #: 311 total cpu time spent up to now is 41.5 secs Computing kpt #: 312 total cpu time spent up to now is 41.8 secs Computing kpt #: 313 total cpu time spent up to now is 41.9 secs Computing kpt #: 314 total cpu time spent up to now is 42.0 secs Computing kpt #: 315 total cpu time spent up to now is 42.2 secs Computing kpt #: 316 total cpu time spent up to now is 42.3 secs Computing kpt #: 317 total cpu time spent up to now is 42.5 secs Computing kpt #: 318 total cpu time spent up to now is 42.6 secs Computing kpt #: 319 total cpu time spent up to now is 42.8 secs Computing kpt #: 320 total cpu time spent up to now is 42.9 secs Computing kpt #: 321 total cpu time spent up to now is 43.1 secs Computing kpt #: 322 total cpu time spent up to now is 43.2 secs Computing kpt #: 323 total cpu time spent up to now is 43.4 secs Computing kpt #: 324 total cpu time spent up to now is 43.6 secs Computing kpt #: 325 total cpu time spent up to now is 43.7 secs ethr = 4.17E-08, avg # of iterations = 15.8 total cpu time spent up to now is 43.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1839 PWs) bands (ev): -30.6747 -30.6747 -11.5939 -11.5939 -10.1444 -10.1444 -10.1444 -10.1444 -0.4198 -0.4198 -0.4198 -0.4198 1.6735 1.6735 1.6735 1.6735 1.8466 1.8466 3.3894 3.3894 12.2509 12.2509 12.2509 12.2509 14.3011 14.3011 15.8576 15.8576 15.8576 15.8576 15.9692 15.9692 k = 0.0000 0.0119-0.0000 ( 1839 PWs) bands (ev): -30.6747 -30.6747 -11.5940 -11.5940 -10.1446 -10.1446 -10.1444 -10.1444 -0.4198 -0.4198 -0.4197 -0.4197 1.6735 1.6735 1.6737 1.6737 1.8466 1.8466 3.3912 3.3912 12.2490 12.2490 12.2511 12.2511 14.2954 14.2954 15.8124 15.8124 15.8296 15.8296 15.9084 15.9084 k = 0.0000 0.0238-0.0000 ( 1835 PWs) bands (ev): -30.6747 -30.6747 -11.5942 -11.5942 -10.1453 -10.1453 -10.1443 -10.1443 -0.4198 -0.4198 -0.4193 -0.4193 1.6737 1.6737 1.6743 1.6743 1.8464 1.8464 3.3966 3.3966 12.2430 12.2430 12.2516 12.2516 14.2787 14.2787 15.7102 15.7102 15.7684 15.7684 15.8978 15.8978 k = 0.0000 0.0357-0.0000 ( 1823 PWs) bands (ev): -30.6746 -30.6746 -11.5946 -11.5946 -10.1464 -10.1464 -10.1442 -10.1442 -0.4196 -0.4196 -0.4187 -0.4187 1.6739 1.6739 1.6754 1.6754 1.8462 1.8462 3.4056 3.4056 12.2325 12.2325 12.2525 12.2525 14.2521 14.2521 15.6000 15.6000 15.6900 15.6900 15.8951 15.8951 k = 0.0000 0.0476-0.0000 ( 1823 PWs) bands (ev): -30.6744 -30.6744 -11.5952 -11.5952 -10.1480 -10.1480 -10.1441 -10.1441 -0.4195 -0.4195 -0.4178 -0.4178 1.6742 1.6742 1.6768 1.6768 1.8459 1.8459 3.4182 3.4182 12.2171 12.2171 12.2537 12.2537 14.2174 14.2174 15.4896 15.4896 15.5995 15.5995 15.8933 15.8933 k = 0.0000 0.0595-0.0000 ( 1827 PWs) bands (ev): -30.6743 -30.6743 -11.5959 -11.5959 -10.1500 -10.1500 -10.1439 -10.1439 -0.4194 -0.4194 -0.4168 -0.4168 1.6745 1.6745 1.6786 1.6786 1.8455 1.8455 3.4343 3.4343 12.1959 12.1959 12.2552 12.2552 14.1765 14.1765 15.3803 15.3803 15.5006 15.5006 15.8917 15.8917 k = 0.0000 0.0714-0.0000 ( 1819 PWs) bands (ev): -30.6741 -30.6741 -11.5967 -11.5967 -10.1524 -10.1524 -10.1436 -10.1436 -0.4191 -0.4191 -0.4155 -0.4155 1.6750 1.6750 1.6808 1.6808 1.8450 1.8450 3.4540 3.4540 12.1680 12.1680 12.2570 12.2570 14.1315 14.1315 15.2727 15.2727 15.3969 15.3969 15.8900 15.8900 k = 0.0000 0.0833-0.0000 ( 1819 PWs) bands (ev): -30.6738 -30.6738 -11.5977 -11.5977 -10.1552 -10.1552 -10.1434 -10.1434 -0.4189 -0.4189 -0.4140 -0.4140 1.6755 1.6755 1.6833 1.6833 1.8444 1.8444 3.4773 3.4773 12.1322 12.1322 12.2592 12.2592 14.0845 14.0845 15.1669 15.1669 15.2918 15.2918 15.8881 15.8881 k = 0.0000 0.0952-0.0000 ( 1819 PWs) bands (ev): -30.6736 -30.6736 -11.5989 -11.5989 -10.1584 -10.1584 -10.1431 -10.1431 -0.4187 -0.4187 -0.4123 -0.4123 1.6761 1.6761 1.6863 1.6863 1.8437 1.8437 3.5040 3.5040 12.0876 12.0876 12.2617 12.2617 14.0370 14.0370 15.0630 15.0630 15.1885 15.1885 15.8860 15.8860 k = 0.0000 0.1071-0.0000 ( 1811 PWs) bands (ev): -30.6733 -30.6733 -11.6002 -11.6002 -10.1619 -10.1619 -10.1427 -10.1427 -0.4184 -0.4184 -0.4104 -0.4104 1.6768 1.6768 1.6895 1.6895 1.8430 1.8430 3.5343 3.5343 12.0331 12.0331 12.2644 12.2644 13.9904 13.9904 14.9613 14.9613 15.0897 15.0897 15.8837 15.8837 k = 0.0000 0.1190-0.0000 ( 1811 PWs) bands (ev): -30.6730 -30.6730 -11.6016 -11.6016 -10.1658 -10.1658 -10.1423 -10.1423 -0.4181 -0.4181 -0.4083 -0.4083 1.6775 1.6775 1.6931 1.6931 1.8422 1.8422 3.5680 3.5680 11.9679 11.9679 12.2674 12.2674 13.9454 13.9454 14.8616 14.8616 14.9979 14.9979 15.8811 15.8811 k = 0.0000 0.1310-0.0000 ( 1823 PWs) bands (ev): -30.6726 -30.6726 -11.6032 -11.6032 -10.1700 -10.1700 -10.1419 -10.1419 -0.4177 -0.4177 -0.4061 -0.4061 1.6782 1.6782 1.6970 1.6970 1.8413 1.8413 3.6052 3.6052 11.8914 11.8914 12.2707 12.2707 13.9021 13.9021 14.7642 14.7642 14.9156 14.9156 15.8784 15.8784 k = 0.0000 0.1429-0.0000 ( 1823 PWs) bands (ev): -30.6723 -30.6723 -11.6049 -11.6049 -10.1744 -10.1744 -10.1415 -10.1415 -0.4174 -0.4174 -0.4038 -0.4038 1.6790 1.6790 1.7011 1.7011 1.8404 1.8404 3.6458 3.6458 11.8037 11.8037 12.2743 12.2743 13.8600 13.8600 14.6691 14.6691 14.8450 14.8450 15.8755 15.8755 k = 0.0000 0.1548-0.0000 ( 1823 PWs) bands (ev): -30.6719 -30.6719 -11.6067 -11.6067 -10.1791 -10.1791 -10.1411 -10.1411 -0.4170 -0.4170 -0.4013 -0.4013 1.6798 1.6798 1.7055 1.7055 1.8394 1.8394 3.6897 3.6897 11.7050 11.7050 12.2781 12.2781 13.8181 13.8181 14.5763 14.5763 14.7883 14.7883 15.8724 15.8724 k = 0.0000 0.1667-0.0000 ( 1815 PWs) bands (ev): -30.6714 -30.6714 -11.6086 -11.6086 -10.1840 -10.1840 -10.1406 -10.1406 -0.4166 -0.4166 -0.3987 -0.3987 1.6807 1.6807 1.7102 1.7102 1.8384 1.8384 3.7369 3.7369 11.5958 11.5958 12.2821 12.2821 13.7753 13.7753 14.4860 14.4860 14.7470 14.7470 15.8691 15.8691 k = 0.0000 0.1786-0.0000 ( 1823 PWs) bands (ev): -30.6710 -30.6710 -11.6106 -11.6106 -10.1892 -10.1892 -10.1401 -10.1401 -0.4162 -0.4162 -0.3960 -0.3960 1.6816 1.6816 1.7150 1.7150 1.8374 1.8374 3.7874 3.7874 11.4771 11.4771 12.2863 12.2863 13.7305 13.7305 14.3982 14.3982 14.7224 14.7224 15.8657 15.8657 k = 0.0000 0.1905-0.0000 ( 1823 PWs) bands (ev): -30.6706 -30.6706 -11.6127 -11.6127 -10.1944 -10.1944 -10.1396 -10.1396 -0.4157 -0.4157 -0.3933 -0.3933 1.6826 1.6826 1.7201 1.7201 1.8363 1.8363 3.8411 3.8411 11.3499 11.3499 12.2907 12.2907 13.6829 13.6829 14.3130 14.3130 14.7148 14.7148 15.8622 15.8622 k = 0.0000 0.2024-0.0000 ( 1823 PWs) bands (ev): -30.6701 -30.6701 -11.6149 -11.6149 -10.1998 -10.1998 -10.1390 -10.1390 -0.4153 -0.4153 -0.3905 -0.3905 1.6835 1.6835 1.7252 1.7252 1.8352 1.8352 3.8978 3.8978 11.2153 11.2153 12.2953 12.2953 13.6325 13.6325 14.2305 14.2305 14.7237 14.7237 15.8586 15.8586 k = 0.0000 0.2143-0.0000 ( 1823 PWs) bands (ev): -30.6696 -30.6696 -11.6171 -11.6171 -10.2053 -10.2053 -10.1385 -10.1385 -0.4148 -0.4148 -0.3877 -0.3877 1.6845 1.6845 1.7306 1.7306 1.8342 1.8342 3.9577 3.9577 11.0746 11.0746 12.3000 12.3000 13.5795 13.5795 14.1507 14.1507 14.7484 14.7484 15.8549 15.8549 k = 0.0000 0.2262-0.0000 ( 1823 PWs) bands (ev): -30.6691 -30.6691 -11.6194 -11.6194 -10.2109 -10.2109 -10.1379 -10.1379 -0.4143 -0.4143 -0.3848 -0.3848 1.6854 1.6854 1.7360 1.7360 1.8331 1.8331 4.0204 4.0204 10.9287 10.9287 12.3048 12.3048 13.5248 13.5248 14.0736 14.0736 14.7873 14.7873 15.8511 15.8511 k = 0.0000 0.2381-0.0000 ( 1815 PWs) bands (ev): -30.6686 -30.6686 -11.6217 -11.6217 -10.2164 -10.2164 -10.1373 -10.1373 -0.4139 -0.4139 -0.3820 -0.3820 1.6864 1.6864 1.7415 1.7415 1.8321 1.8321 4.0861 4.0861 10.7789 10.7789 12.3097 12.3097 13.4690 13.4690 13.9994 13.9994 14.8390 14.8390 15.8473 15.8473 k = 0.0000 0.2500-0.0000 ( 1815 PWs) bands (ev): -30.6682 -30.6682 -11.6241 -11.6241 -10.2220 -10.2220 -10.1368 -10.1368 -0.4134 -0.4134 -0.3791 -0.3791 1.6873 1.6873 1.7470 1.7470 1.8310 1.8310 4.1544 4.1544 10.6260 10.6260 12.3146 12.3146 13.4130 13.4130 13.9281 13.9281 14.9021 14.9021 15.8435 15.8435 k = 0.0000 0.2619-0.0000 ( 1815 PWs) bands (ev): -30.6677 -30.6677 -11.6265 -11.6265 -10.2275 -10.2275 -10.1362 -10.1362 -0.4129 -0.4129 -0.3763 -0.3763 1.6882 1.6882 1.7525 1.7525 1.8300 1.8300 4.2253 4.2253 10.4710 10.4710 12.3196 12.3196 13.3573 13.3573 13.8597 13.8597 14.9753 14.9753 15.8397 15.8397 k = 0.0000 0.2738-0.0000 ( 1811 PWs) bands (ev): -30.6672 -30.6672 -11.6289 -11.6289 -10.2329 -10.2329 -10.1356 -10.1356 -0.4124 -0.4124 -0.3736 -0.3736 1.6891 1.6891 1.7580 1.7580 1.8291 1.8291 4.2987 4.2987 10.3148 10.3148 12.3246 12.3246 13.3027 13.3027 13.7943 13.7943 15.0574 15.0574 15.8359 15.8359 k = 0.0000 0.2857-0.0000 ( 1811 PWs) bands (ev): -30.6667 -30.6667 -11.6313 -11.6313 -10.2383 -10.2383 -10.1351 -10.1351 -0.4120 -0.4120 -0.3709 -0.3709 1.6899 1.6899 1.7634 1.7634 1.8281 1.8281 4.3743 4.3743 10.1580 10.1580 12.3295 12.3295 13.2494 13.2494 13.7319 13.7319 15.1473 15.1473 15.8321 15.8321 k = 0.0000 0.2976-0.0000 ( 1803 PWs) bands (ev): -30.6662 -30.6662 -11.6337 -11.6337 -10.2435 -10.2435 -10.1345 -10.1345 -0.4115 -0.4115 -0.3683 -0.3683 1.6908 1.6908 1.7688 1.7688 1.8272 1.8272 4.4520 4.4520 10.0015 10.0015 12.3344 12.3344 13.1980 13.1980 13.6727 13.6727 15.2440 15.2440 15.8285 15.8285 k = 0.0000 0.3095-0.0000 ( 1811 PWs) bands (ev): -30.6657 -30.6657 -11.6360 -11.6360 -10.2486 -10.2486 -10.1340 -10.1340 -0.4111 -0.4111 -0.3658 -0.3658 1.6915 1.6915 1.7741 1.7741 1.8264 1.8264 4.5314 4.5314 9.8459 9.8459 12.3392 12.3392 13.1487 13.1487 13.6166 13.6166 15.3468 15.3468 15.8249 15.8249 k = 0.0000 0.3214-0.0000 ( 1815 PWs) bands (ev): -30.6653 -30.6653 -11.6383 -11.6383 -10.2535 -10.2535 -10.1335 -10.1335 -0.4107 -0.4107 -0.3634 -0.3634 1.6923 1.6923 1.7791 1.7791 1.8256 1.8256 4.6124 4.6124 9.6920 9.6920 12.3439 12.3439 13.1017 13.1017 13.5636 13.5636 15.4547 15.4547 15.8214 15.8214 k = 0.0000 0.3333-0.0000 ( 1815 PWs) bands (ev): -30.6649 -30.6649 -11.6405 -11.6405 -10.2582 -10.2582 -10.1330 -10.1330 -0.4102 -0.4102 -0.3611 -0.3611 1.6930 1.6930 1.7841 1.7841 1.8248 1.8248 4.6946 4.6946 9.5403 9.5403 12.3485 12.3485 13.0572 13.0572 13.5139 13.5139 15.5670 15.5670 15.8180 15.8180 k = 0.0000 0.3452-0.0000 ( 1815 PWs) bands (ev): -30.6644 -30.6644 -11.6427 -11.6427 -10.2627 -10.2627 -10.1325 -10.1325 -0.4099 -0.4099 -0.3589 -0.3589 1.6936 1.6936 1.7888 1.7888 1.8241 1.8241 4.7776 4.7776 9.3916 9.3916 12.3529 12.3529 13.0154 13.0154 13.4675 13.4675 15.6829 15.6829 15.8148 15.8148 k = 0.0000 0.3571-0.0000 ( 1815 PWs) bands (ev): -30.6641 -30.6641 -11.6447 -11.6447 -10.2669 -10.2669 -10.1320 -10.1320 -0.4095 -0.4095 -0.3569 -0.3569 1.6942 1.6942 1.7932 1.7932 1.8235 1.8235 4.8609 4.8609 9.2466 9.2466 12.3571 12.3571 12.9763 12.9763 13.4243 13.4243 15.8013 15.8013 15.8117 15.8117 k = 0.0000 0.3690-0.0000 ( 1815 PWs) bands (ev): -30.6637 -30.6637 -11.6467 -11.6467 -10.2709 -10.2709 -10.1316 -10.1316 -0.4091 -0.4091 -0.3550 -0.3550 1.6947 1.6947 1.7975 1.7975 1.8229 1.8229 4.9440 4.9440 9.1061 9.1061 12.3611 12.3611 12.9401 12.9401 13.3845 13.3845 15.8089 15.8089 15.9214 15.9214 k = 0.0000 0.3810-0.0000 ( 1815 PWs) bands (ev): -30.6633 -30.6633 -11.6485 -11.6485 -10.2745 -10.2745 -10.1312 -10.1312 -0.4088 -0.4088 -0.3532 -0.3532 1.6952 1.6952 1.8014 1.8014 1.8224 1.8224 5.0261 5.0261 8.9710 8.9710 12.3648 12.3648 12.9068 12.9068 13.3481 13.3481 15.8062 15.8062 16.0421 16.0421 k = 0.0000 0.3929-0.0000 ( 1819 PWs) bands (ev): -30.6630 -30.6630 -11.6502 -11.6502 -10.2779 -10.2779 -10.1308 -10.1308 -0.4085 -0.4085 -0.3516 -0.3516 1.6957 1.6957 1.8051 1.8051 1.8219 1.8219 5.1066 5.1066 8.8422 8.8422 12.3683 12.3683 12.8765 12.8765 13.3150 13.3150 15.8037 15.8037 16.1620 16.1620 k = 0.0000 0.4048-0.0000 ( 1819 PWs) bands (ev): -30.6627 -30.6627 -11.6518 -11.6518 -10.2809 -10.2809 -10.1305 -10.1305 -0.4082 -0.4082 -0.3502 -0.3502 1.6961 1.6961 1.8084 1.8084 1.8215 1.8215 5.1844 5.1844 8.7207 8.7207 12.3714 12.3714 12.8493 12.8493 13.2853 13.2853 15.8015 15.8015 16.2798 16.2798 k = 0.0000 0.4167-0.0000 ( 1827 PWs) bands (ev): -30.6625 -30.6625 -11.6532 -11.6532 -10.2837 -10.2837 -10.1302 -10.1302 -0.4080 -0.4080 -0.3489 -0.3489 1.6964 1.6964 1.8114 1.8114 1.8211 1.8211 5.2585 5.2585 8.6079 8.6079 12.3743 12.3743 12.8252 12.8252 13.2591 13.2591 15.7995 15.7995 16.3935 16.3935 k = 0.0000 0.4286-0.0000 ( 1823 PWs) bands (ev): -30.6622 -30.6622 -11.6544 -11.6544 -10.2861 -10.2861 -10.1299 -10.1299 -0.4078 -0.4078 -0.3478 -0.3478 1.6967 1.6967 1.8140 1.8140 1.8208 1.8208 5.3275 5.3275 8.5051 8.5051 12.3768 12.3768 12.8042 12.8042 13.2363 13.2363 15.7977 15.7977 16.5010 16.5010 k = 0.0000 0.4405-0.0000 ( 1820 PWs) bands (ev): -30.6620 -30.6620 -11.6554 -11.6554 -10.2881 -10.2881 -10.1297 -10.1297 -0.4076 -0.4076 -0.3468 -0.3468 1.6969 1.6969 1.8162 1.8162 1.8205 1.8205 5.3900 5.3900 8.4139 8.4139 12.3789 12.3789 12.7865 12.7865 13.2171 13.2171 15.7962 15.7962 16.6000 16.6000 k = 0.0000 0.4524-0.0000 ( 1820 PWs) bands (ev): -30.6619 -30.6619 -11.6563 -11.6563 -10.2898 -10.2898 -10.1295 -10.1295 -0.4074 -0.4074 -0.3460 -0.3460 1.6971 1.6971 1.8181 1.8181 1.8203 1.8203 5.4444 5.4444 8.3360 8.3360 12.3807 12.3807 12.7719 12.7719 13.2013 13.2013 15.7949 15.7949 16.6873 16.6873 k = 0.0000 0.4643-0.0000 ( 1820 PWs) bands (ev): -30.6617 -30.6617 -11.6570 -11.6570 -10.2911 -10.2911 -10.1294 -10.1294 -0.4073 -0.4073 -0.3454 -0.3454 1.6973 1.6973 1.8196 1.8196 1.8201 1.8201 5.4890 5.4890 8.2730 8.2730 12.3821 12.3821 12.7605 12.7605 13.1890 13.1890 15.7939 15.7939 16.7601 16.7601 k = 0.0000 0.4762-0.0000 ( 1820 PWs) bands (ev): -30.6617 -30.6617 -11.6575 -11.6575 -10.2920 -10.2920 -10.1292 -10.1292 -0.4072 -0.4072 -0.3449 -0.3449 1.6974 1.6974 1.8200 1.8200 1.8206 1.8206 5.5222 5.5222 8.2266 8.2266 12.3831 12.3831 12.7524 12.7524 13.1802 13.1802 15.7932 15.7932 16.8150 16.8150 k = 0.0000 0.4881-0.0000 ( 1820 PWs) bands (ev): -30.6616 -30.6616 -11.6578 -11.6578 -10.2926 -10.2926 -10.1292 -10.1292 -0.4072 -0.4072 -0.3447 -0.3447 1.6975 1.6975 1.8200 1.8200 1.8212 1.8212 5.5428 5.5428 8.1981 8.1981 12.3837 12.3837 12.7475 12.7475 13.1749 13.1749 15.7928 15.7928 16.8493 16.8493 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): -30.6616 -30.6616 -11.6579 -11.6579 -10.2928 -10.2928 -10.1292 -10.1292 -0.4072 -0.4072 -0.3446 -0.3446 1.6975 1.6975 1.8199 1.8199 1.8214 1.8214 5.5497 5.5497 8.1885 8.1885 12.3839 12.3839 12.7459 12.7459 13.1731 13.1731 15.7926 15.7926 16.8609 16.8609 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): -30.6616 -30.6616 -11.6579 -11.6579 -10.2928 -10.2928 -10.1292 -10.1292 -0.4072 -0.4072 -0.3446 -0.3446 1.6975 1.6975 1.8199 1.8199 1.8214 1.8214 5.5497 5.5497 8.1885 8.1885 12.3839 12.3839 12.7459 12.7459 13.1731 13.1731 15.7926 15.7926 16.8609 16.8609 k = 0.0119 0.5000-0.0000 ( 1822 PWs) bands (ev): -30.6616 -30.6616 -11.6579 -11.6579 -10.2928 -10.2928 -10.1293 -10.1293 -0.4071 -0.4071 -0.3446 -0.3446 1.6976 1.6976 1.8197 1.8197 1.8215 1.8215 5.5502 5.5502 8.1909 8.1909 12.3854 12.3854 12.7454 12.7454 13.1726 13.1726 15.7908 15.7908 16.8609 16.8609 k = 0.0238 0.5000-0.0000 ( 1822 PWs) bands (ev): -30.6615 -30.6615 -11.6581 -11.6581 -10.2928 -10.2928 -10.1297 -10.1297 -0.4071 -0.4071 -0.3448 -0.3448 1.6977 1.6977 1.8190 1.8190 1.8216 1.8216 5.5515 5.5515 8.1980 8.1980 12.3899 12.3899 12.7436 12.7436 13.1712 13.1712 15.7850 15.7850 16.8610 16.8610 k = 0.0357 0.5000-0.0000 ( 1822 PWs) bands (ev): -30.6614 -30.6614 -11.6583 -11.6583 -10.2929 -10.2929 -10.1304 -10.1304 -0.4070 -0.4070 -0.3450 -0.3450 1.6979 1.6979 1.8178 1.8178 1.8220 1.8220 5.5537 5.5537 8.2099 8.2099 12.3974 12.3974 12.7403 12.7403 13.1693 13.1693 15.7756 15.7756 16.8610 16.8610 k = 0.0476 0.5000-0.0000 ( 1822 PWs) bands (ev): -30.6613 -30.6613 -11.6586 -11.6586 -10.2930 -10.2930 -10.1313 -10.1313 -0.4069 -0.4069 -0.3454 -0.3454 1.6982 1.6982 1.8162 1.8162 1.8224 1.8224 5.5569 5.5569 8.2264 8.2264 12.4078 12.4078 12.7348 12.7348 13.1676 13.1676 15.7625 15.7625 16.8609 16.8609 k = 0.0595 0.5000-0.0000 ( 1822 PWs) bands (ev): -30.6612 -30.6612 -11.6590 -11.6590 -10.2932 -10.2932 -10.1324 -10.1324 -0.4067 -0.4067 -0.3458 -0.3458 1.6986 1.6986 1.8140 1.8140 1.8231 1.8231 5.5609 5.5609 8.2477 8.2477 12.4210 12.4210 12.7261 12.7261 13.1672 13.1672 15.7459 15.7459 16.8608 16.8608 k = 0.0714 0.5000-0.0000 ( 1826 PWs) bands (ev): -30.6610 -30.6610 -11.6595 -11.6595 -10.2934 -10.2934 -10.1338 -10.1338 -0.4066 -0.4066 -0.3464 -0.3464 1.6990 1.6990 1.8115 1.8115 1.8239 1.8239 5.5658 5.5658 8.2735 8.2735 12.4369 12.4369 12.7134 12.7134 13.1690 13.1690 15.7260 15.7260 16.8606 16.8606 k = 0.0833 0.5000-0.0000 ( 1826 PWs) bands (ev): -30.6608 -30.6608 -11.6600 -11.6600 -10.2937 -10.2937 -10.1354 -10.1354 -0.4064 -0.4064 -0.3470 -0.3470 1.6995 1.6995 1.8084 1.8084 1.8248 1.8248 5.5716 5.5716 8.3040 8.3040 12.4555 12.4555 12.6957 12.6957 13.1741 13.1741 15.7031 15.7031 16.8602 16.8602 k = 0.0952 0.5000-0.0000 ( 1824 PWs) bands (ev): -30.6605 -30.6605 -11.6606 -11.6606 -10.2940 -10.2940 -10.1372 -10.1372 -0.4062 -0.4062 -0.3477 -0.3477 1.7000 1.7000 1.8050 1.8050 1.8260 1.8260 5.5784 5.5784 8.3389 8.3389 12.4763 12.4763 12.6724 12.6724 13.1834 13.1834 15.6774 15.6774 16.8595 16.8595 k = 0.1071 0.5000-0.0000 ( 1816 PWs) bands (ev): -30.6602 -30.6602 -11.6614 -11.6614 -10.2944 -10.2944 -10.1391 -10.1391 -0.4060 -0.4060 -0.3484 -0.3484 1.7006 1.7006 1.8013 1.8013 1.8274 1.8274 5.5860 5.5860 8.3782 8.3782 12.4994 12.4994 12.6432 12.6432 13.1974 13.1974 15.6491 15.6491 16.8585 16.8585 k = 0.1190 0.5000-0.0000 ( 1816 PWs) bands (ev): -30.6599 -30.6599 -11.6622 -11.6622 -10.2949 -10.2949 -10.1411 -10.1411 -0.4059 -0.4059 -0.3493 -0.3493 1.7011 1.7011 1.7971 1.7971 1.8289 1.8289 5.5947 5.5947 8.4218 8.4218 12.5240 12.5240 12.6082 12.6082 13.2164 13.2164 15.6186 15.6186 16.8570 16.8570 k = 0.1310 0.5000-0.0000 ( 1822 PWs) bands (ev): -30.6596 -30.6596 -11.6630 -11.6630 -10.2955 -10.2955 -10.1433 -10.1433 -0.4057 -0.4057 -0.3502 -0.3502 1.7016 1.7016 1.7926 1.7926 1.8307 1.8307 5.6042 5.6042 8.4697 8.4697 12.5460 12.5460 12.5717 12.5717 13.2403 13.2403 15.5860 15.5860 16.8550 16.8550 k = 0.1429 0.5000-0.0000 ( 1826 PWs) bands (ev): -30.6593 -30.6593 -11.6640 -11.6640 -10.2962 -10.2962 -10.1456 -10.1456 -0.4056 -0.4056 -0.3512 -0.3512 1.7020 1.7020 1.7879 1.7879 1.8327 1.8327 5.6147 5.6147 8.5216 8.5216 12.5161 12.5161 12.5830 12.5830 13.2690 13.2690 15.5518 15.5518 16.8523 16.8523 k = 0.1548 0.5000-0.0000 ( 1816 PWs) bands (ev): -30.6589 -30.6589 -11.6650 -11.6650 -10.2970 -10.2970 -10.1479 -10.1479 -0.4055 -0.4055 -0.3522 -0.3522 1.7025 1.7025 1.7829 1.7829 1.8350 1.8350 5.6261 5.6261 8.5776 8.5776 12.4651 12.4651 12.6116 12.6116 13.3022 13.3022 15.5161 15.5161 16.8490 16.8490 k = 0.1667 0.5000-0.0000 ( 1816 PWs) bands (ev): -30.6585 -30.6585 -11.6661 -11.6661 -10.2979 -10.2979 -10.1502 -10.1502 -0.4055 -0.4055 -0.3532 -0.3532 1.7028 1.7028 1.7776 1.7776 1.8375 1.8375 5.6385 5.6385 8.6374 8.6374 12.4089 12.4089 12.6416 12.6416 13.3396 13.3396 15.4793 15.4793 16.8448 16.8448 k = 0.1786 0.5000-0.0000 ( 1820 PWs) bands (ev): -30.6581 -30.6581 -11.6672 -11.6672 -10.2990 -10.2990 -10.1525 -10.1525 -0.4055 -0.4055 -0.3543 -0.3543 1.7030 1.7030 1.7722 1.7722 1.8402 1.8402 5.6518 5.6518 8.7010 8.7010 12.3485 12.3485 12.6722 12.6722 13.3809 13.3809 15.4417 15.4417 16.8397 16.8397 k = 0.1905 0.5000-0.0000 ( 1820 PWs) bands (ev): -30.6577 -30.6577 -11.6684 -11.6684 -10.3002 -10.3002 -10.1548 -10.1548 -0.4056 -0.4056 -0.3554 -0.3554 1.7031 1.7031 1.7667 1.7667 1.8432 1.8432 5.6660 5.6660 8.7681 8.7681 12.2846 12.2846 12.7027 12.7027 13.4258 13.4258 15.4034 15.4034 16.8336 16.8336 k = 0.2024 0.5000-0.0000 ( 1822 PWs) bands (ev): -30.6572 -30.6572 -11.6696 -11.6696 -10.3015 -10.3015 -10.1570 -10.1570 -0.4058 -0.4058 -0.3565 -0.3565 1.7031 1.7031 1.7610 1.7610 1.8464 1.8464 5.6811 5.6811 8.8386 8.8386 12.2178 12.2178 12.7326 12.7326 13.4739 13.4739 15.3649 15.3649 16.8265 16.8265 k = 0.2143 0.5000-0.0000 ( 1822 PWs) bands (ev): -30.6568 -30.6568 -11.6709 -11.6709 -10.3030 -10.3030 -10.1591 -10.1591 -0.4060 -0.4060 -0.3577 -0.3577 1.7029 1.7029 1.7554 1.7554 1.8498 1.8498 5.6971 5.6971 8.9124 8.9124 12.1486 12.1486 12.7613 12.7613 13.5252 13.5252 15.3262 15.3262 16.8185 16.8185 k = 0.2262 0.5000-0.0000 ( 1826 PWs) bands (ev): -30.6563 -30.6563 -11.6723 -11.6723 -10.3046 -10.3046 -10.1611 -10.1611 -0.4063 -0.4063 -0.3588 -0.3588 1.7025 1.7025 1.7497 1.7497 1.8533 1.8533 5.7139 5.7139 8.9893 8.9893 12.0774 12.0774 12.7883 12.7883 13.5792 13.5792 15.2876 15.2876 16.8096 16.8096 k = 0.2381 0.5000-0.0000 ( 1826 PWs) bands (ev): -30.6559 -30.6559 -11.6736 -11.6736 -10.3063 -10.3063 -10.1630 -10.1630 -0.4066 -0.4066 -0.3600 -0.3600 1.7020 1.7020 1.7441 1.7441 1.8571 1.8571 5.7314 5.7314 9.0690 9.0690 12.0048 12.0048 12.8128 12.8128 13.6358 13.6358 15.2493 15.2493 16.8001 16.8001 k = 0.2500 0.5000-0.0000 ( 1818 PWs) bands (ev): -30.6554 -30.6554 -11.6750 -11.6750 -10.3082 -10.3082 -10.1647 -10.1647 -0.4070 -0.4070 -0.3611 -0.3611 1.7012 1.7012 1.7386 1.7386 1.8611 1.8611 5.7497 5.7497 9.1513 9.1513 11.9312 11.9312 12.8341 12.8341 13.6946 13.6946 15.2116 15.2116 16.7903 16.7903 k = 0.2619 0.5000-0.0000 ( 1826 PWs) bands (ev): -30.6550 -30.6550 -11.6764 -11.6764 -10.3101 -10.3101 -10.1663 -10.1663 -0.4075 -0.4075 -0.3622 -0.3622 1.7002 1.7002 1.7334 1.7334 1.8651 1.8651 5.7687 5.7687 9.2361 9.2361 11.8572 11.8572 12.8517 12.8517 13.7556 13.7556 15.1746 15.1746 16.7806 16.7806 k = 0.2738 0.5000-0.0000 ( 1826 PWs) bands (ev): -30.6545 -30.6545 -11.6779 -11.6779 -10.3122 -10.3122 -10.1678 -10.1678 -0.4081 -0.4081 -0.3633 -0.3633 1.6988 1.6988 1.7285 1.7285 1.8693 1.8693 5.7882 5.7882 9.3230 9.3230 11.7832 11.7832 12.8649 12.8649 13.8182 13.8182 15.1385 15.1385 16.7714 16.7714 k = 0.2857 0.5000-0.0000 ( 1822 PWs) bands (ev): -30.6540 -30.6540 -11.6793 -11.6793 -10.3144 -10.3144 -10.1691 -10.1691 -0.4086 -0.4086 -0.3643 -0.3643 1.6970 1.6970 1.7240 1.7240 1.8735 1.8735 5.8082 5.8082 9.4118 9.4118 11.7097 11.7097 12.8730 12.8730 13.8824 13.8824 15.1034 15.1034 16.7635 16.7635 k = 0.2976 0.5000-0.0000 ( 1820 PWs) bands (ev): -30.6536 -30.6536 -11.6807 -11.6807 -10.3166 -10.3166 -10.1702 -10.1702 -0.4093 -0.4093 -0.3654 -0.3654 1.6947 1.6947 1.7201 1.7201 1.8778 1.8778 5.8286 5.8286 9.5021 9.5021 11.6373 11.6373 12.8754 12.8754 13.9478 13.9478 15.0696 15.0696 16.7573 16.7573 k = 0.3095 0.5000-0.0000 ( 1820 PWs) bands (ev): -30.6532 -30.6532 -11.6821 -11.6821 -10.3188 -10.3188 -10.1713 -10.1713 -0.4100 -0.4100 -0.3664 -0.3664 1.6920 1.6920 1.7167 1.7167 1.8820 1.8820 5.8492 5.8492 9.5936 9.5936 11.5665 11.5665 12.8716 12.8716 14.0139 14.0139 15.0370 15.0370 16.7536 16.7536 k = 0.3214 0.5000-0.0000 ( 1812 PWs) bands (ev): -30.6527 -30.6527 -11.6834 -11.6834 -10.3211 -10.3211 -10.1721 -10.1721 -0.4107 -0.4107 -0.3673 -0.3673 1.6888 1.6888 1.7140 1.7140 1.8862 1.8862 5.8699 5.8699 9.6859 9.6859 11.4979 11.4979 12.8613 12.8613 14.0806 14.0806 15.0059 15.0059 16.7528 16.7528 k = 0.3333 0.5000-0.0000 ( 1812 PWs) bands (ev): -30.6523 -30.6523 -11.6848 -11.6848 -10.3234 -10.3234 -10.1729 -10.1729 -0.4114 -0.4114 -0.3682 -0.3682 1.6853 1.6853 1.7117 1.7117 1.8903 1.8903 5.8906 5.8906 9.7784 9.7784 11.4321 11.4321 12.8443 12.8443 14.1473 14.1473 14.9763 14.9763 16.7554 16.7554 k = 0.3452 0.5000-0.0000 ( 1816 PWs) bands (ev): -30.6519 -30.6519 -11.6861 -11.6861 -10.3256 -10.3256 -10.1735 -10.1735 -0.4122 -0.4122 -0.3691 -0.3691 1.6816 1.6816 1.7099 1.7099 1.8943 1.8943 5.9110 5.9110 9.8705 9.8705 11.3697 11.3697 12.8205 12.8205 14.2137 14.2137 14.9483 14.9483 16.7614 16.7614 k = 0.3571 0.5000-0.0000 ( 1812 PWs) bands (ev): -30.6516 -30.6516 -11.6873 -11.6873 -10.3278 -10.3278 -10.1740 -10.1740 -0.4129 -0.4129 -0.3699 -0.3699 1.6779 1.6779 1.7083 1.7083 1.8982 1.8982 5.9311 5.9311 9.9616 9.9616 11.3115 11.3115 12.7901 12.7901 14.2792 14.2792 14.9221 14.9221 16.7710 16.7710 k = 0.3690 0.5000-0.0000 ( 1812 PWs) bands (ev): -30.6512 -30.6512 -11.6885 -11.6885 -10.3299 -10.3299 -10.1744 -10.1744 -0.4136 -0.4136 -0.3707 -0.3707 1.6742 1.6742 1.7070 1.7070 1.9019 1.9019 5.9506 5.9506 10.0506 10.0506 11.2583 11.2583 12.7534 12.7534 14.3434 14.3434 14.8978 14.8978 16.7827 16.7827 k = 0.3810 0.5000-0.0000 ( 1812 PWs) bands (ev): -30.6509 -30.6509 -11.6896 -11.6896 -10.3319 -10.3319 -10.1748 -10.1748 -0.4143 -0.4143 -0.3714 -0.3714 1.6706 1.6706 1.7059 1.7059 1.9054 1.9054 5.9693 5.9693 10.1365 10.1365 11.2112 11.2112 12.7110 12.7110 14.4056 14.4056 14.8754 14.8754 16.7768 16.7768 k = 0.3929 0.5000-0.0000 ( 1808 PWs) bands (ev): -30.6506 -30.6506 -11.6907 -11.6907 -10.3337 -10.3337 -10.1750 -10.1750 -0.4150 -0.4150 -0.3721 -0.3721 1.6673 1.6673 1.7050 1.7050 1.9086 1.9086 5.9870 5.9870 10.2178 10.2178 11.1712 11.1712 12.6639 12.6639 14.4652 14.4652 14.8549 14.8549 16.7415 16.7415 k = 0.4048 0.5000-0.0000 ( 1808 PWs) bands (ev): -30.6503 -30.6503 -11.6916 -11.6916 -10.3354 -10.3354 -10.1752 -10.1752 -0.4156 -0.4156 -0.3727 -0.3727 1.6642 1.6642 1.7041 1.7041 1.9116 1.9116 6.0036 6.0036 10.2928 10.2928 11.1396 11.1396 12.6130 12.6130 14.5215 14.5215 14.8364 14.8364 16.7077 16.7077 k = 0.4167 0.5000-0.0000 ( 1808 PWs) bands (ev): -30.6501 -30.6501 -11.6925 -11.6925 -10.3370 -10.3370 -10.1754 -10.1754 -0.4162 -0.4162 -0.3732 -0.3732 1.6614 1.6614 1.7034 1.7034 1.9143 1.9143 6.0188 6.0188 10.3595 10.3595 11.1175 11.1175 12.5597 12.5597 14.5737 14.5737 14.8201 14.8201 16.6776 16.6776 k = 0.4286 0.5000-0.0000 ( 1798 PWs) bands (ev): -30.6498 -30.6498 -11.6932 -11.6932 -10.3384 -10.3384 -10.1755 -10.1755 -0.4167 -0.4167 -0.3737 -0.3737 1.6590 1.6590 1.7028 1.7028 1.9166 1.9166 6.0325 6.0325 10.4160 10.4160 11.1059 11.1059 12.5057 12.5057 14.6211 14.6211 14.8058 14.8058 16.6515 16.6515 k = 0.4405 0.5000-0.0000 ( 1798 PWs) bands (ev): -30.6497 -30.6497 -11.6939 -11.6939 -10.3396 -10.3396 -10.1756 -10.1756 -0.4171 -0.4171 -0.3741 -0.3741 1.6568 1.6568 1.7023 1.7023 1.9187 1.9187 6.0443 6.0443 10.4611 10.4611 11.1048 11.1048 12.4529 12.4529 14.6629 14.6629 14.7938 14.7938 16.6295 16.6295 k = 0.4524 0.5000-0.0000 ( 1800 PWs) bands (ev): -30.6495 -30.6495 -11.6944 -11.6944 -10.3406 -10.3406 -10.1757 -10.1757 -0.4175 -0.4175 -0.3745 -0.3745 1.6551 1.6551 1.7018 1.7018 1.9204 1.9204 6.0543 6.0543 10.4943 10.4943 11.1125 11.1125 12.4038 12.4038 14.6982 14.6982 14.7841 14.7841 16.6116 16.6116 k = 0.4643 0.5000-0.0000 ( 1792 PWs) bands (ev): -30.6494 -30.6494 -11.6948 -11.6948 -10.3413 -10.3413 -10.1757 -10.1757 -0.4178 -0.4178 -0.3747 -0.3747 1.6537 1.6537 1.7015 1.7015 1.9217 1.9217 6.0622 6.0622 10.5170 10.5170 11.1258 11.1258 12.3610 12.3610 14.7262 14.7262 14.7769 14.7769 16.5976 16.5976 k = 0.4762 0.5000-0.0000 ( 1784 PWs) bands (ev): -30.6493 -30.6493 -11.6951 -11.6951 -10.3419 -10.3419 -10.1757 -10.1757 -0.4180 -0.4180 -0.3749 -0.3749 1.6527 1.6527 1.7013 1.7013 1.9227 1.9227 6.0680 6.0680 10.5310 10.5310 11.1401 11.1401 12.3275 12.3275 14.7455 14.7455 14.7729 14.7729 16.5877 16.5877 k = 0.4881 0.5000-0.0000 ( 1772 PWs) bands (ev): -30.6492 -30.6492 -11.6953 -11.6953 -10.3422 -10.3422 -10.1757 -10.1757 -0.4181 -0.4181 -0.3750 -0.3750 1.6521 1.6521 1.7012 1.7012 1.9233 1.9233 6.0715 6.0715 10.5384 10.5384 11.1510 11.1510 12.3060 12.3060 14.7549 14.7549 14.7730 14.7730 16.5818 16.5818 k = 0.5000 0.5000-0.0000 ( 1772 PWs) bands (ev): -30.6492 -30.6492 -11.6953 -11.6953 -10.3423 -10.3423 -10.1757 -10.1757 -0.4181 -0.4181 -0.3750 -0.3750 1.6519 1.6519 1.7011 1.7011 1.9235 1.9235 6.0726 6.0726 10.5407 10.5407 11.1550 11.1550 12.2986 12.2986 14.7569 14.7569 14.7742 14.7742 16.5798 16.5798 k = 0.5000 0.5000-0.0000 ( 1772 PWs) bands (ev): -30.6492 -30.6492 -11.6953 -11.6953 -10.3423 -10.3423 -10.1757 -10.1757 -0.4181 -0.4181 -0.3750 -0.3750 1.6519 1.6519 1.7011 1.7011 1.9235 1.9235 6.0726 6.0726 10.5407 10.5407 11.1550 11.1550 12.2986 12.2986 14.7569 14.7569 14.7742 14.7742 16.5798 16.5798 k = 0.4917 0.4917-0.0000 ( 1772 PWs) bands (ev): -30.6492 -30.6492 -11.6953 -11.6953 -10.3422 -10.3422 -10.1757 -10.1757 -0.4181 -0.4181 -0.3750 -0.3750 1.6521 1.6521 1.7012 1.7012 1.9233 1.9233 6.0715 6.0715 10.5385 10.5385 11.1510 11.1510 12.3059 12.3059 14.7551 14.7551 14.7728 14.7728 16.5817 16.5817 k = 0.4833 0.4833-0.0000 ( 1792 PWs) bands (ev): -30.6493 -30.6493 -11.6951 -11.6951 -10.3419 -10.3419 -10.1757 -10.1757 -0.4180 -0.4180 -0.3749 -0.3749 1.6527 1.6527 1.7013 1.7013 1.9227 1.9227 6.0680 6.0680 10.5318 10.5318 11.1398 11.1398 12.3271 12.3271 14.7474 14.7474 14.7713 14.7713 16.5875 16.5875 k = 0.4750 0.4750-0.0000 ( 1792 PWs) bands (ev): -30.6494 -30.6494 -11.6948 -11.6948 -10.3414 -10.3414 -10.1757 -10.1757 -0.4178 -0.4178 -0.3747 -0.3747 1.6537 1.6537 1.7015 1.7015 1.9217 1.9217 6.0622 6.0622 10.5204 10.5204 11.1232 11.1232 12.3605 12.3605 14.7313 14.7313 14.7724 14.7724 16.5968 16.5968 k = 0.4667 0.4667-0.0000 ( 1804 PWs) bands (ev): -30.6495 -30.6495 -11.6944 -11.6944 -10.3406 -10.3406 -10.1757 -10.1757 -0.4175 -0.4175 -0.3745 -0.3745 1.6550 1.6550 1.7018 1.7018 1.9204 1.9204 6.0540 6.0540 10.5040 10.5040 11.1039 11.1039 12.4037 12.4037 14.7078 14.7078 14.7756 14.7756 16.6095 16.6095 k = 0.4583 0.4583-0.0000 ( 1804 PWs) bands (ev): -30.6497 -30.6497 -11.6939 -11.6939 -10.3396 -10.3396 -10.1756 -10.1756 -0.4172 -0.4172 -0.3742 -0.3742 1.6568 1.6568 1.7022 1.7022 1.9187 1.9187 6.0432 6.0432 10.4827 10.4827 11.0844 11.0844 12.4541 12.4541 14.6782 14.6782 14.7803 14.7803 16.6250 16.6250 k = 0.4500 0.4500-0.0000 ( 1800 PWs) bands (ev): -30.6498 -30.6498 -11.6932 -11.6932 -10.3384 -10.3384 -10.1756 -10.1756 -0.4167 -0.4167 -0.3738 -0.3738 1.6589 1.6589 1.7027 1.7027 1.9167 1.9167 6.0298 6.0298 10.4567 10.4567 11.0670 11.0670 12.5094 12.5094 14.6433 14.6433 14.7863 14.7863 16.6427 16.6427 k = 0.4417 0.4417-0.0000 ( 1798 PWs) bands (ev): -30.6500 -30.6500 -11.6924 -11.6924 -10.3369 -10.3369 -10.1755 -10.1755 -0.4162 -0.4162 -0.3734 -0.3734 1.6613 1.6613 1.7032 1.7032 1.9143 1.9143 6.0136 6.0136 10.4265 10.4265 11.0533 11.0533 12.5674 12.5674 14.6039 14.6039 14.7935 14.7935 16.6616 16.6616 k = 0.4333 0.4333-0.0000 ( 1802 PWs) bands (ev): -30.6503 -30.6503 -11.6915 -11.6915 -10.3353 -10.3353 -10.1754 -10.1754 -0.4156 -0.4156 -0.3729 -0.3729 1.6641 1.6641 1.7039 1.7039 1.9116 1.9116 5.9945 5.9945 10.3931 10.3931 11.0440 11.0440 12.6263 12.6263 14.5610 14.5610 14.8018 14.8018 16.6806 16.6806 k = 0.4250 0.4250-0.0000 ( 1808 PWs) bands (ev): -30.6506 -30.6506 -11.6905 -11.6905 -10.3334 -10.3334 -10.1753 -10.1753 -0.4150 -0.4150 -0.3724 -0.3724 1.6672 1.6672 1.7045 1.7045 1.9085 1.9085 5.9723 5.9723 10.3580 10.3580 11.0394 11.0394 12.6846 12.6846 14.5154 14.5154 14.8113 14.8113 16.6981 16.6981 k = 0.4167 0.4167-0.0000 ( 1804 PWs) bands (ev): -30.6509 -30.6509 -11.6894 -11.6894 -10.3313 -10.3313 -10.1752 -10.1752 -0.4143 -0.4143 -0.3719 -0.3719 1.6706 1.6706 1.7053 1.7053 1.9052 1.9052 5.9468 5.9468 10.3225 10.3225 11.0393 11.0393 12.7412 12.7412 14.4677 14.4677 14.8220 14.8220 16.7111 16.7111 k = 0.4083 0.4083-0.0000 ( 1804 PWs) bands (ev): -30.6512 -30.6512 -11.6882 -11.6882 -10.3290 -10.3290 -10.1751 -10.1751 -0.4136 -0.4136 -0.3713 -0.3713 1.6743 1.6743 1.7060 1.7060 1.9015 1.9015 5.9179 5.9179 10.2880 10.2880 11.0434 11.0434 12.7950 12.7950 14.4187 14.4187 14.8337 14.8337 16.7094 16.7094 k = 0.4000 0.4000-0.0000 ( 1800 PWs) bands (ev): -30.6516 -30.6516 -11.6868 -11.6868 -10.3265 -10.3265 -10.1749 -10.1749 -0.4129 -0.4129 -0.3708 -0.3708 1.6782 1.6782 1.7069 1.7069 1.8976 1.8976 5.8855 5.8855 10.2559 10.2559 11.0513 11.0513 12.8455 12.8455 14.3691 14.3691 14.8465 14.8465 16.6839 16.6839 k = 0.3917 0.3917-0.0000 ( 1810 PWs) bands (ev): -30.6520 -30.6520 -11.6854 -11.6854 -10.3238 -10.3238 -10.1747 -10.1747 -0.4121 -0.4121 -0.3702 -0.3702 1.6823 1.6823 1.7077 1.7077 1.8934 1.8934 5.8495 5.8495 10.2272 10.2272 11.0625 11.0625 12.8919 12.8919 14.3195 14.3195 14.8603 14.8603 16.6497 16.6497 k = 0.3833 0.3833-0.0000 ( 1814 PWs) bands (ev): -30.6524 -30.6524 -11.6838 -11.6838 -10.3209 -10.3209 -10.1745 -10.1745 -0.4114 -0.4114 -0.3697 -0.3697 1.6865 1.6865 1.7086 1.7086 1.8890 1.8890 5.8098 5.8098 10.2031 10.2031 11.0767 11.0767 12.9341 12.9341 14.2703 14.2703 14.8752 14.8752 16.6131 16.6131 k = 0.3750 0.3750-0.0000 ( 1814 PWs) bands (ev): -30.6529 -30.6529 -11.6822 -11.6822 -10.3178 -10.3178 -10.1743 -10.1743 -0.4106 -0.4106 -0.3692 -0.3692 1.6909 1.6909 1.7096 1.7096 1.8843 1.8843 5.7663 5.7663 10.1843 10.1843 11.0934 11.0934 12.9717 12.9717 14.2221 14.2221 14.8912 14.8912 16.5754 16.5754 k = 0.3667 0.3667-0.0000 ( 1826 PWs) bands (ev): -30.6534 -30.6534 -11.6804 -11.6804 -10.3146 -10.3146 -10.1740 -10.1740 -0.4099 -0.4099 -0.3688 -0.3688 1.6953 1.6953 1.7108 1.7108 1.8794 1.8794 5.7192 5.7192 10.1713 10.1713 11.1125 11.1125 13.0046 13.0046 14.1753 14.1753 14.9081 14.9081 16.5371 16.5371 k = 0.3583 0.3583-0.0000 ( 1820 PWs) bands (ev): -30.6539 -30.6539 -11.6786 -11.6786 -10.3111 -10.3111 -10.1737 -10.1737 -0.4091 -0.4091 -0.3684 -0.3684 1.6995 1.6995 1.7122 1.7122 1.8743 1.8743 5.6684 5.6684 10.1647 10.1647 11.1337 11.1337 13.0329 13.0329 14.1303 14.1303 14.9261 14.9261 16.4986 16.4986 k = 0.3500 0.3500-0.0000 ( 1817 PWs) bands (ev): -30.6544 -30.6544 -11.6766 -11.6766 -10.3074 -10.3074 -10.1733 -10.1733 -0.4084 -0.4084 -0.3681 -0.3681 1.7031 1.7031 1.7142 1.7142 1.8691 1.8691 5.6142 5.6142 10.1648 10.1648 11.1567 11.1567 13.0567 13.0567 14.0874 14.0874 14.9451 14.9451 16.4601 16.4601 k = 0.3417 0.3417-0.0000 ( 1817 PWs) bands (ev): -30.6549 -30.6549 -11.6746 -11.6746 -10.3036 -10.3036 -10.1730 -10.1730 -0.4077 -0.4077 -0.3679 -0.3679 1.7059 1.7059 1.7171 1.7171 1.8638 1.8638 5.5565 5.5565 10.1718 10.1718 11.1815 11.1815 13.0760 13.0760 14.0469 14.0469 14.9650 14.9650 16.4217 16.4217 k = 0.3333 0.3333-0.0000 ( 1817 PWs) bands (ev): -30.6555 -30.6555 -11.6725 -11.6725 -10.2996 -10.2996 -10.1726 -10.1726 -0.4070 -0.4070 -0.3677 -0.3677 1.7078 1.7078 1.7210 1.7210 1.8583 1.8583 5.4957 5.4957 10.1859 10.1859 11.2078 11.2078 13.0912 13.0912 14.0090 14.0090 14.9859 14.9859 16.3836 16.3836 k = 0.3250 0.3250-0.0000 ( 1813 PWs) bands (ev): -30.6560 -30.6560 -11.6703 -11.6703 -10.2955 -10.2955 -10.1721 -10.1721 -0.4064 -0.4064 -0.3677 -0.3677 1.7090 1.7090 1.7254 1.7254 1.8527 1.8527 5.4320 5.4320 10.2071 10.2071 11.2355 11.2355 13.1026 13.1026 13.9741 13.9741 15.0077 15.0077 16.3460 16.3460 k = 0.3167 0.3167-0.0000 ( 1813 PWs) bands (ev): -30.6566 -30.6566 -11.6680 -11.6680 -10.2912 -10.2912 -10.1716 -10.1716 -0.4058 -0.4058 -0.3677 -0.3677 1.7097 1.7097 1.7302 1.7302 1.8471 1.8471 5.3656 5.3656 10.2353 10.2353 11.2646 11.2646 13.1103 13.1103 13.9423 13.9423 15.0303 15.0303 16.3088 16.3088 k = 0.3083 0.3083-0.0000 ( 1813 PWs) bands (ev): -30.6572 -30.6572 -11.6657 -11.6657 -10.2868 -10.2868 -10.1711 -10.1711 -0.4053 -0.4053 -0.3679 -0.3679 1.7102 1.7102 1.7350 1.7350 1.8414 1.8414 5.2969 5.2969 10.2704 10.2704 11.2948 11.2948 13.1149 13.1149 13.9137 13.9137 15.0538 15.0538 16.2723 16.2723 k = 0.3000 0.3000-0.0000 ( 1819 PWs) bands (ev): -30.6579 -30.6579 -11.6633 -11.6633 -10.2822 -10.2822 -10.1705 -10.1705 -0.4049 -0.4049 -0.3682 -0.3682 1.7104 1.7104 1.7399 1.7399 1.8358 1.8358 5.2261 5.2261 10.3122 10.3122 11.3261 11.3261 13.1167 13.1167 13.8885 13.8885 15.0781 15.0781 16.2363 16.2363 k = 0.2917 0.2917-0.0000 ( 1827 PWs) bands (ev): -30.6585 -30.6585 -11.6608 -11.6608 -10.2775 -10.2775 -10.1699 -10.1699 -0.4046 -0.4046 -0.3686 -0.3686 1.7105 1.7105 1.7446 1.7446 1.8302 1.8302 5.1535 5.1535 10.3606 10.3606 11.3584 11.3584 13.1160 13.1160 13.8669 13.8669 15.1032 15.1032 16.2010 16.2010 k = 0.2833 0.2833-0.0000 ( 1827 PWs) bands (ev): -30.6592 -30.6592 -11.6583 -11.6583 -10.2727 -10.2727 -10.1693 -10.1693 -0.4043 -0.4043 -0.3692 -0.3692 1.7105 1.7105 1.7492 1.7492 1.8248 1.8248 5.0795 5.0795 10.4151 10.4151 11.3916 11.3916 13.1133 13.1133 13.8490 13.8490 15.1290 15.1290 16.1665 16.1665 k = 0.2750 0.2750-0.0000 ( 1831 PWs) bands (ev): -30.6598 -30.6598 -11.6558 -11.6558 -10.2678 -10.2678 -10.1686 -10.1686 -0.4041 -0.4041 -0.3699 -0.3699 1.7103 1.7103 1.7534 1.7534 1.8197 1.8197 5.0045 5.0045 10.4756 10.4756 11.4257 11.4257 13.1090 13.1090 13.8348 13.8348 15.1555 15.1555 16.1326 16.1326 k = 0.2667 0.2667-0.0000 ( 1827 PWs) bands (ev): -30.6605 -30.6605 -11.6532 -11.6532 -10.2628 -10.2628 -10.1678 -10.1678 -0.4040 -0.4040 -0.3707 -0.3707 1.7099 1.7099 1.7572 1.7572 1.8149 1.8149 4.9286 4.9286 10.5417 10.5417 11.4605 11.4605 13.1035 13.1035 13.8246 13.8246 15.1826 15.1826 16.0994 16.0994 k = 0.2583 0.2583-0.0000 ( 1833 PWs) bands (ev): -30.6611 -30.6611 -11.6506 -11.6506 -10.2578 -10.2578 -10.1671 -10.1671 -0.4039 -0.4039 -0.3717 -0.3717 1.7094 1.7094 1.7602 1.7602 1.8107 1.8107 4.8523 4.8523 10.6129 10.6129 11.4961 11.4961 13.0972 13.0972 13.8182 13.8182 15.2104 15.2104 16.0669 16.0669 k = 0.2500 0.2500-0.0000 ( 1835 PWs) bands (ev): -30.6618 -30.6618 -11.6479 -11.6479 -10.2527 -10.2527 -10.1663 -10.1663 -0.4040 -0.4040 -0.3729 -0.3729 1.7088 1.7088 1.7623 1.7623 1.8074 1.8074 4.7759 4.7759 10.6889 10.6889 11.5322 11.5322 13.0906 13.0906 13.8159 13.8159 15.2386 15.2386 16.0351 16.0351 k = 0.2417 0.2417-0.0000 ( 1831 PWs) bands (ev): -30.6625 -30.6625 -11.6452 -11.6452 -10.2475 -10.2475 -10.1654 -10.1654 -0.4041 -0.4041 -0.3741 -0.3741 1.7081 1.7081 1.7632 1.7632 1.8052 1.8052 4.6996 4.6996 10.7692 10.7692 11.5690 11.5690 13.0841 13.0841 13.8177 13.8177 15.2673 15.2673 16.0040 16.0040 k = 0.2333 0.2333-0.0000 ( 1831 PWs) bands (ev): -30.6631 -30.6631 -11.6425 -11.6425 -10.2423 -10.2423 -10.1646 -10.1646 -0.4043 -0.4043 -0.3755 -0.3755 1.7072 1.7072 1.7625 1.7625 1.8044 1.8044 4.6237 4.6237 10.8533 10.8533 11.6064 11.6064 13.0783 13.0783 13.8236 13.8236 15.2964 15.2964 15.9736 15.9736 k = 0.2250 0.2250-0.0000 ( 1829 PWs) bands (ev): -30.6638 -30.6638 -11.6399 -11.6399 -10.2370 -10.2370 -10.1637 -10.1637 -0.4046 -0.4046 -0.3770 -0.3770 1.7063 1.7063 1.7605 1.7605 1.8049 1.8049 4.5484 4.5484 10.9405 10.9405 11.6442 11.6442 13.0735 13.0735 13.8337 13.8337 15.3259 15.3259 15.9438 15.9438 k = 0.2167 0.2167-0.0000 ( 1825 PWs) bands (ev): -30.6645 -30.6645 -11.6372 -11.6372 -10.2318 -10.2318 -10.1627 -10.1627 -0.4049 -0.4049 -0.3786 -0.3786 1.7052 1.7052 1.7574 1.7574 1.8064 1.8064 4.4741 4.4741 11.0303 11.0303 11.6825 11.6825 13.0705 13.0705 13.8481 13.8481 15.3556 15.3556 15.9147 15.9147 k = 0.2083 0.2083-0.0000 ( 1825 PWs) bands (ev): -30.6651 -30.6651 -11.6345 -11.6345 -10.2265 -10.2265 -10.1618 -10.1618 -0.4053 -0.4053 -0.3803 -0.3803 1.7040 1.7040 1.7535 1.7535 1.8086 1.8086 4.4010 4.4010 11.1217 11.1217 11.7212 11.7212 13.0699 13.0699 13.8667 13.8667 15.3855 15.3855 15.8863 15.8863 k = 0.2000 0.2000-0.0000 ( 1825 PWs) bands (ev): -30.6658 -30.6658 -11.6319 -11.6319 -10.2213 -10.2213 -10.1608 -10.1608 -0.4058 -0.4058 -0.3822 -0.3822 1.7027 1.7027 1.7491 1.7491 1.8112 1.8112 4.3293 4.3293 11.2140 11.2140 11.7603 11.7603 13.0722 13.0722 13.8897 13.8897 15.4154 15.4154 15.8585 15.8585 k = 0.1917 0.1917-0.0000 ( 1829 PWs) bands (ev): -30.6664 -30.6664 -11.6293 -11.6293 -10.2162 -10.2162 -10.1599 -10.1599 -0.4064 -0.4064 -0.3841 -0.3841 1.7013 1.7013 1.7444 1.7444 1.8139 1.8139 4.2591 4.2591 11.3061 11.3061 11.7997 11.7997 13.0784 13.0784 13.9171 13.9171 15.4454 15.4454 15.8314 15.8314 k = 0.1833 0.1833-0.0000 ( 1825 PWs) bands (ev): -30.6670 -30.6670 -11.6267 -11.6267 -10.2110 -10.2110 -10.1589 -10.1589 -0.4070 -0.4070 -0.3861 -0.3861 1.6999 1.6999 1.7396 1.7396 1.8168 1.8168 4.1907 4.1907 11.3969 11.3969 11.8394 11.8394 13.0894 13.0894 13.9490 13.9490 15.4752 15.4752 15.8052 15.8052 k = 0.1750 0.1750-0.0000 ( 1833 PWs) bands (ev): -30.6676 -30.6676 -11.6242 -11.6242 -10.2060 -10.2060 -10.1579 -10.1579 -0.4077 -0.4077 -0.3882 -0.3882 1.6983 1.6983 1.7347 1.7347 1.8196 1.8196 4.1243 4.1243 11.4852 11.4852 11.8794 11.8794 13.1060 13.1060 13.9853 13.9853 15.5048 15.5048 15.7798 15.7798 k = 0.1667 0.1667-0.0000 ( 1831 PWs) bands (ev): -30.6682 -30.6682 -11.6217 -11.6217 -10.2011 -10.2011 -10.1569 -10.1569 -0.4084 -0.4084 -0.3903 -0.3903 1.6968 1.6968 1.7298 1.7298 1.8223 1.8223 4.0601 4.0601 11.5697 11.5697 11.9193 11.9193 13.1294 13.1294 14.0263 14.0263 15.5341 15.5341 15.7553 15.7553 k = 0.1583 0.1583-0.0000 ( 1833 PWs) bands (ev): -30.6688 -30.6688 -11.6193 -11.6193 -10.1962 -10.1962 -10.1559 -10.1559 -0.4091 -0.4091 -0.3924 -0.3924 1.6951 1.6951 1.7251 1.7251 1.8249 1.8249 3.9981 3.9981 11.6493 11.6493 11.9590 11.9590 13.1605 13.1605 14.0719 14.0719 15.5629 15.5629 15.7320 15.7320 k = 0.1500 0.1500-0.0000 ( 1837 PWs) bands (ev): -30.6694 -30.6694 -11.6169 -11.6169 -10.1915 -10.1915 -10.1549 -10.1549 -0.4099 -0.4099 -0.3946 -0.3946 1.6935 1.6935 1.7204 1.7204 1.8273 1.8273 3.9386 3.9386 11.7230 11.7230 11.9979 11.9979 13.2002 13.2002 14.1223 14.1223 15.5910 15.5910 15.7101 15.7101 k = 0.1417 0.1417-0.0000 ( 1833 PWs) bands (ev): -30.6699 -30.6699 -11.6146 -11.6146 -10.1869 -10.1869 -10.1540 -10.1540 -0.4107 -0.4107 -0.3968 -0.3968 1.6918 1.6918 1.7158 1.7158 1.8297 1.8297 3.8816 3.8816 11.7901 11.7901 12.0354 12.0354 13.2491 13.2491 14.1777 14.1777 15.6178 15.6178 15.6902 15.6902 k = 0.1333 0.1333-0.0000 ( 1833 PWs) bands (ev): -30.6704 -30.6704 -11.6125 -11.6125 -10.1825 -10.1825 -10.1530 -10.1530 -0.4115 -0.4115 -0.3989 -0.3989 1.6902 1.6902 1.7114 1.7114 1.8318 1.8318 3.8273 3.8273 11.8506 11.8506 12.0708 12.0708 13.3074 13.3074 14.2383 14.2383 15.6408 15.6408 15.6749 15.6749 k = 0.1250 0.1250-0.0000 ( 1829 PWs) bands (ev): -30.6709 -30.6709 -11.6104 -11.6104 -10.1782 -10.1782 -10.1521 -10.1521 -0.4123 -0.4123 -0.4011 -0.4011 1.6885 1.6885 1.7072 1.7072 1.8338 1.8338 3.7759 3.7759 11.9047 11.9047 12.1031 12.1031 13.3747 13.3747 14.3044 14.3044 15.6441 15.6441 15.6804 15.6804 k = 0.1167 0.1167-0.0000 ( 1833 PWs) bands (ev): -30.6714 -30.6714 -11.6084 -11.6084 -10.1742 -10.1742 -10.1512 -10.1512 -0.4131 -0.4131 -0.4032 -0.4032 1.6869 1.6869 1.7031 1.7031 1.8357 1.8357 3.7273 3.7273 11.9531 11.9531 12.1319 12.1319 13.4499 13.4499 14.3762 14.3762 15.6321 15.6321 15.7022 15.7022 k = 0.1083 0.1083-0.0000 ( 1825 PWs) bands (ev): -30.6718 -30.6718 -11.6065 -11.6065 -10.1703 -10.1703 -10.1503 -10.1503 -0.4139 -0.4139 -0.4052 -0.4052 1.6853 1.6853 1.6993 1.6993 1.8373 1.8373 3.6817 3.6817 11.9965 11.9965 12.1567 12.1567 13.5316 13.5316 14.4541 14.4541 15.6201 15.6201 15.7256 15.7256 k = 0.1000 0.1000-0.0000 ( 1829 PWs) bands (ev): -30.6722 -30.6722 -11.6047 -11.6047 -10.1667 -10.1667 -10.1495 -10.1495 -0.4146 -0.4146 -0.4071 -0.4071 1.6838 1.6838 1.6957 1.6957 1.8388 1.8388 3.6392 3.6392 12.0354 12.0354 12.1776 12.1776 13.6176 13.6176 14.5386 14.5386 15.6105 15.6105 15.7482 15.7482 k = 0.0917 0.0917-0.0000 ( 1827 PWs) bands (ev): -30.6726 -30.6726 -11.6030 -11.6030 -10.1633 -10.1633 -10.1488 -10.1488 -0.4154 -0.4154 -0.4090 -0.4090 1.6823 1.6823 1.6923 1.6923 1.8402 1.8402 3.5999 3.5999 12.0705 12.0705 12.1948 12.1948 13.7059 13.7059 14.6298 14.6298 15.6041 15.6041 15.7697 15.7697 k = 0.0833 0.0833-0.0000 ( 1821 PWs) bands (ev): -30.6730 -30.6730 -11.6015 -11.6015 -10.1601 -10.1601 -10.1480 -10.1480 -0.4161 -0.4161 -0.4107 -0.4107 1.6809 1.6809 1.6892 1.6892 1.8414 1.8414 3.5638 3.5638 12.1020 12.1020 12.2086 12.2086 13.7941 13.7941 14.7282 14.7282 15.6015 15.6015 15.7899 15.7899 k = 0.0750 0.0750-0.0000 ( 1825 PWs) bands (ev): -30.6733 -30.6733 -11.6001 -11.6001 -10.1572 -10.1572 -10.1474 -10.1474 -0.4167 -0.4167 -0.4123 -0.4123 1.6796 1.6796 1.6863 1.6863 1.8425 1.8425 3.5310 3.5310 12.1303 12.1303 12.2197 12.2197 13.8799 13.8799 14.8337 14.8337 15.6035 15.6035 15.8086 15.8086 k = 0.0667 0.0667-0.0000 ( 1825 PWs) bands (ev): -30.6736 -30.6736 -11.5988 -11.5988 -10.1546 -10.1546 -10.1468 -10.1468 -0.4173 -0.4173 -0.4138 -0.4138 1.6784 1.6784 1.6836 1.6836 1.8434 1.8434 3.5015 3.5015 12.1555 12.1555 12.2283 12.2283 13.9613 13.9613 14.9461 14.9461 15.6106 15.6106 15.8257 15.8257 k = 0.0583 0.0583-0.0000 ( 1829 PWs) bands (ev): -30.6739 -30.6739 -11.5977 -11.5977 -10.1522 -10.1522 -10.1462 -10.1462 -0.4179 -0.4179 -0.4152 -0.4152 1.6773 1.6773 1.6813 1.6813 1.8442 1.8442 3.4754 3.4754 12.1778 12.1778 12.2350 12.2350 14.0366 14.0366 15.0647 15.0647 15.6235 15.6235 15.8411 15.8411 k = 0.0500 0.0500-0.0000 ( 1825 PWs) bands (ev): -30.6741 -30.6741 -11.5967 -11.5967 -10.1502 -10.1502 -10.1457 -10.1457 -0.4184 -0.4184 -0.4164 -0.4164 1.6763 1.6763 1.6793 1.6793 1.8449 1.8449 3.4526 3.4526 12.1971 12.1971 12.2401 12.2401 14.1042 14.1042 15.1887 15.1887 15.6428 15.6428 15.8546 15.8546 k = 0.0417 0.0417-0.0000 ( 1825 PWs) bands (ev): -30.6743 -30.6743 -11.5958 -11.5958 -10.1484 -10.1484 -10.1453 -10.1453 -0.4188 -0.4188 -0.4174 -0.4174 1.6755 1.6755 1.6775 1.6775 1.8454 1.8454 3.4334 3.4334 12.2135 12.2135 12.2439 12.2439 14.1630 14.1630 15.3164 15.3164 15.6688 15.6688 15.8664 15.8664 k = 0.0333 0.0333-0.0000 ( 1825 PWs) bands (ev): -30.6744 -30.6744 -11.5952 -11.5952 -10.1470 -10.1470 -10.1450 -10.1450 -0.4192 -0.4192 -0.4183 -0.4183 1.6748 1.6748 1.6761 1.6761 1.8459 1.8459 3.4176 3.4176 12.2269 12.2269 12.2467 12.2467 14.2120 14.2120 15.4460 15.4460 15.7019 15.7019 15.8763 15.8763 k = 0.0250 0.0250-0.0000 ( 1829 PWs) bands (ev): -30.6746 -30.6746 -11.5946 -11.5946 -10.1458 -10.1458 -10.1447 -10.1447 -0.4195 -0.4195 -0.4189 -0.4189 1.6742 1.6742 1.6750 1.6750 1.8462 1.8462 3.4053 3.4053 12.2374 12.2374 12.2486 12.2486 14.2508 14.2508 15.5752 15.5752 15.7415 15.7415 15.8845 15.8845 k = 0.0167 0.0167-0.0000 ( 1831 PWs) bands (ev): -30.6747 -30.6747 -11.5942 -11.5942 -10.1450 -10.1450 -10.1445 -10.1445 -0.4197 -0.4197 -0.4194 -0.4194 1.6738 1.6738 1.6742 1.6742 1.8465 1.8465 3.3965 3.3965 12.2449 12.2449 12.2500 12.2500 14.2787 14.2787 15.7004 15.7004 15.7865 15.7865 15.8920 15.8920 k = 0.0083 0.0083-0.0000 ( 1839 PWs) bands (ev): -30.6747 -30.6747 -11.5940 -11.5940 -10.1446 -10.1446 -10.1444 -10.1444 -0.4198 -0.4198 -0.4197 -0.4197 1.6736 1.6736 1.6737 1.6737 1.8466 1.8466 3.3912 3.3912 12.2494 12.2494 12.2507 12.2507 14.2955 14.2955 15.8116 15.8116 15.8320 15.8320 15.9059 15.9059 k = 0.0000 0.0000 0.0000 ( 1839 PWs) bands (ev): -30.6747 -30.6747 -11.5939 -11.5939 -10.1444 -10.1444 -10.1444 -10.1444 -0.4198 -0.4198 -0.4198 -0.4198 1.6735 1.6735 1.6735 1.6735 1.8466 1.8466 3.3894 3.3894 12.2509 12.2509 12.2509 12.2509 14.3011 14.3011 15.8576 15.8576 15.8576 15.8576 15.9692 15.9692 k = 0.0000 0.0000 0.0000 ( 1839 PWs) bands (ev): -30.6747 -30.6747 -11.5939 -11.5939 -10.1444 -10.1444 -10.1444 -10.1444 -0.4198 -0.4198 -0.4198 -0.4198 1.6735 1.6735 1.6735 1.6735 1.8466 1.8466 3.3894 3.3894 12.2509 12.2509 12.2509 12.2509 14.3011 14.3011 15.8576 15.8576 15.8576 15.8576 15.9692 15.9692 k = 0.0068 0.0068 0.0068 ( 1839 PWs) bands (ev): -30.6747 -30.6747 -11.5940 -11.5940 -10.1445 -10.1445 -10.1445 -10.1445 -0.4198 -0.4198 -0.4197 -0.4197 1.6736 1.6736 1.6736 1.6736 1.8466 1.8466 3.3912 3.3912 12.2496 12.2496 12.2505 12.2505 14.2954 14.2954 15.8147 15.8147 15.8266 15.8266 15.9070 15.9070 k = 0.0137 0.0137 0.0137 ( 1833 PWs) bands (ev): -30.6747 -30.6747 -11.5942 -11.5942 -10.1449 -10.1449 -10.1447 -10.1447 -0.4196 -0.4196 -0.4195 -0.4195 1.6740 1.6740 1.6740 1.6740 1.8464 1.8464 3.3966 3.3966 12.2457 12.2457 12.2491 12.2491 14.2782 14.2782 15.7058 15.7058 15.7690 15.7690 15.9048 15.9048 k = 0.0205 0.0205 0.0205 ( 1827 PWs) bands (ev): -30.6746 -30.6746 -11.5946 -11.5946 -10.1454 -10.1454 -10.1452 -10.1452 -0.4193 -0.4193 -0.4190 -0.4190 1.6745 1.6745 1.6747 1.6747 1.8462 1.8462 3.4055 3.4055 12.2393 12.2393 12.2468 12.2468 14.2493 14.2493 15.5854 15.5854 15.7057 15.7057 15.9172 15.9172 k = 0.0274 0.0274 0.0274 ( 1821 PWs) bands (ev): -30.6744 -30.6744 -11.5952 -11.5952 -10.1462 -10.1462 -10.1458 -10.1458 -0.4189 -0.4189 -0.4185 -0.4185 1.6753 1.6753 1.6756 1.6756 1.8459 1.8459 3.4180 3.4180 12.2303 12.2303 12.2437 12.2437 14.2083 14.2083 15.4649 15.4649 15.6405 15.6405 15.9365 15.9365 k = 0.0342 0.0342 0.0342 ( 1821 PWs) bands (ev): -30.6743 -30.6743 -11.5959 -11.5959 -10.1473 -10.1473 -10.1465 -10.1465 -0.4184 -0.4184 -0.4177 -0.4177 1.6763 1.6763 1.6768 1.6768 1.8454 1.8454 3.4340 3.4340 12.2189 12.2189 12.2397 12.2397 14.1552 14.1552 15.3481 15.3481 15.5744 15.5744 15.9615 15.9615 k = 0.0411 0.0411 0.0411 ( 1827 PWs) bands (ev): -30.6741 -30.6741 -11.5967 -11.5967 -10.1485 -10.1485 -10.1475 -10.1475 -0.4178 -0.4178 -0.4169 -0.4169 1.6776 1.6776 1.6781 1.6781 1.8448 1.8448 3.4535 3.4535 12.2051 12.2051 12.2349 12.2349 14.0901 14.0901 15.2374 15.2374 15.5076 15.5076 15.9917 15.9917 k = 0.0479 0.0479 0.0479 ( 1821 PWs) bands (ev): -30.6738 -30.6738 -11.5977 -11.5977 -10.1500 -10.1500 -10.1486 -10.1486 -0.4171 -0.4171 -0.4159 -0.4159 1.6790 1.6790 1.6798 1.6798 1.8441 1.8441 3.4764 3.4764 12.1892 12.1892 12.2294 12.2294 14.0133 14.0133 15.1342 15.1342 15.4402 15.4402 16.0267 16.0267 k = 0.0548 0.0548 0.0548 ( 1815 PWs) bands (ev): -30.6736 -30.6736 -11.5989 -11.5989 -10.1517 -10.1517 -10.1499 -10.1499 -0.4163 -0.4163 -0.4147 -0.4147 1.6807 1.6807 1.6816 1.6816 1.8433 1.8433 3.5029 3.5029 12.1711 12.1711 12.2232 12.2232 13.9261 13.9261 15.0391 15.0391 15.3724 15.3724 16.0660 16.0660 k = 0.0616 0.0616 0.0616 ( 1815 PWs) bands (ev): -30.6733 -30.6733 -11.6002 -11.6002 -10.1536 -10.1536 -10.1513 -10.1513 -0.4154 -0.4154 -0.4135 -0.4135 1.6825 1.6825 1.6836 1.6836 1.8423 1.8423 3.5327 3.5327 12.1511 12.1511 12.2164 12.2164 13.8300 13.8300 14.9517 14.9517 15.3041 15.3041 16.1093 16.1093 k = 0.0685 0.0685 0.0685 ( 1818 PWs) bands (ev): -30.6729 -30.6729 -11.6016 -11.6016 -10.1556 -10.1556 -10.1529 -10.1529 -0.4144 -0.4144 -0.4122 -0.4122 1.6846 1.6846 1.6858 1.6858 1.8411 1.8411 3.5658 3.5658 12.1291 12.1291 12.2091 12.2091 13.7268 13.7268 14.8713 14.8713 15.2353 15.2353 16.1559 16.1559 k = 0.0753 0.0753 0.0753 ( 1818 PWs) bands (ev): -30.6726 -30.6726 -11.6031 -11.6031 -10.1579 -10.1579 -10.1546 -10.1546 -0.4133 -0.4133 -0.4108 -0.4108 1.6869 1.6869 1.6882 1.6882 1.8397 1.8397 3.6023 3.6023 12.1053 12.1053 12.2013 12.2013 13.6189 13.6189 14.7969 14.7969 15.1662 15.1662 16.2055 16.2055 k = 0.0822 0.0822 0.0822 ( 1818 PWs) bands (ev): -30.6722 -30.6722 -11.6048 -11.6048 -10.1603 -10.1603 -10.1565 -10.1565 -0.4122 -0.4122 -0.4094 -0.4094 1.6893 1.6893 1.6907 1.6907 1.8382 1.8382 3.6419 3.6419 12.0798 12.0798 12.1930 12.1930 13.5080 13.5080 14.7274 14.7274 15.0967 15.0967 16.2572 16.2572 k = 0.0890 0.0890 0.0890 ( 1818 PWs) bands (ev): -30.6717 -30.6717 -11.6066 -11.6066 -10.1628 -10.1628 -10.1586 -10.1586 -0.4109 -0.4109 -0.4079 -0.4079 1.6920 1.6920 1.6934 1.6934 1.8364 1.8364 3.6847 3.6847 12.0525 12.0525 12.1844 12.1844 13.3962 13.3962 14.6618 14.6618 15.0270 15.0270 16.3102 16.3102 k = 0.0959 0.0959 0.0959 ( 1824 PWs) bands (ev): -30.6713 -30.6713 -11.6086 -11.6086 -10.1655 -10.1655 -10.1608 -10.1608 -0.4096 -0.4096 -0.4064 -0.4064 1.6948 1.6948 1.6962 1.6962 1.8345 1.8345 3.7305 3.7305 12.0236 12.0236 12.1754 12.1754 13.2849 13.2849 14.5993 14.5993 14.9572 14.9572 16.3635 16.3635 k = 0.1027 0.1027 0.1027 ( 1830 PWs) bands (ev): -30.6708 -30.6708 -11.6106 -11.6106 -10.1684 -10.1684 -10.1631 -10.1631 -0.4082 -0.4082 -0.4048 -0.4048 1.6978 1.6978 1.6991 1.6991 1.8323 1.8323 3.7793 3.7793 11.9931 11.9931 12.1660 12.1660 13.1755 13.1755 14.5394 14.5394 14.8875 14.8875 16.4155 16.4155 k = 0.1096 0.1096 0.1096 ( 1830 PWs) bands (ev): -30.6703 -30.6703 -11.6127 -11.6127 -10.1714 -10.1714 -10.1656 -10.1656 -0.4068 -0.4068 -0.4033 -0.4033 1.7009 1.7009 1.7021 1.7021 1.8299 1.8299 3.8309 3.8309 11.9610 11.9610 12.1562 12.1562 13.0692 13.0692 14.4817 14.4817 14.8180 14.8180 16.4644 16.4644 k = 0.1164 0.1164 0.1164 ( 1830 PWs) bands (ev): -30.6697 -30.6697 -11.6150 -11.6150 -10.1744 -10.1744 -10.1681 -10.1681 -0.4053 -0.4053 -0.4018 -0.4018 1.7043 1.7043 1.7053 1.7053 1.8272 1.8272 3.8852 3.8852 11.9272 11.9272 12.1461 12.1461 12.9667 12.9667 14.4259 14.4259 14.7490 14.7490 16.5081 16.5081 k = 0.1233 0.1233 0.1233 ( 1830 PWs) bands (ev): -30.6692 -30.6692 -11.6173 -11.6173 -10.1776 -10.1776 -10.1709 -10.1709 -0.4037 -0.4037 -0.4003 -0.4003 1.7078 1.7078 1.7085 1.7085 1.8243 1.8243 3.9421 3.9421 11.8918 11.8918 12.1354 12.1354 12.8689 12.8689 14.3721 14.3721 14.6806 14.6806 16.5446 16.5446 k = 0.1301 0.1301 0.1301 ( 1833 PWs) bands (ev): -30.6686 -30.6686 -11.6197 -11.6197 -10.1809 -10.1809 -10.1737 -10.1737 -0.4021 -0.4021 -0.3988 -0.3988 1.7114 1.7114 1.7119 1.7119 1.8212 1.8212 4.0015 4.0015 11.8547 11.8547 12.1243 12.1243 12.7762 12.7762 14.3201 14.3201 14.6133 14.6133 16.5734 16.5734 k = 0.1370 0.1370 0.1370 ( 1827 PWs) bands (ev): -30.6679 -30.6679 -11.6222 -11.6222 -10.1842 -10.1842 -10.1766 -10.1766 -0.4004 -0.4004 -0.3974 -0.3974 1.7152 1.7152 1.7153 1.7153 1.8179 1.8179 4.0632 4.0632 11.8160 11.8160 12.1125 12.1125 12.6891 12.6891 14.2702 14.2702 14.5473 14.5473 16.5950 16.5950 k = 0.1438 0.1438 0.1438 ( 1827 PWs) bands (ev): -30.6673 -30.6673 -11.6247 -11.6247 -10.1876 -10.1876 -10.1797 -10.1797 -0.3987 -0.3987 -0.3961 -0.3961 1.7189 1.7189 1.7191 1.7191 1.8143 1.8143 4.1271 4.1271 11.7759 11.7759 12.0998 12.0998 12.6079 12.6079 14.2226 14.2226 14.4829 14.4829 16.6104 16.6104 k = 0.1507 0.1507 0.1507 ( 1827 PWs) bands (ev): -30.6666 -30.6666 -11.6273 -11.6273 -10.1911 -10.1911 -10.1828 -10.1828 -0.3969 -0.3969 -0.3949 -0.3949 1.7225 1.7225 1.7232 1.7232 1.8104 1.8104 4.1930 4.1930 11.7343 11.7343 12.0862 12.0862 12.5325 12.5325 14.1774 14.1774 14.4205 14.4205 16.6208 16.6208 k = 0.1575 0.1575 0.1575 ( 1827 PWs) bands (ev): -30.6660 -30.6660 -11.6300 -11.6300 -10.1946 -10.1946 -10.1860 -10.1860 -0.3951 -0.3951 -0.3937 -0.3937 1.7262 1.7262 1.7274 1.7274 1.8063 1.8063 4.2607 4.2607 11.6916 11.6916 12.0714 12.0714 12.4631 12.4631 14.1349 14.1349 14.3606 14.3606 16.6270 16.6270 k = 0.1644 0.1644 0.1644 ( 1821 PWs) bands (ev): -30.6653 -30.6653 -11.6327 -11.6327 -10.1981 -10.1981 -10.1893 -10.1893 -0.3933 -0.3933 -0.3926 -0.3926 1.7299 1.7299 1.7317 1.7317 1.8021 1.8021 4.3302 4.3302 11.6478 11.6478 12.0552 12.0552 12.3996 12.3996 14.0955 14.0955 14.3036 14.3036 16.6294 16.6294 k = 0.1712 0.1712 0.1712 ( 1821 PWs) bands (ev): -30.6645 -30.6645 -11.6355 -11.6355 -10.2017 -10.2017 -10.1927 -10.1927 -0.3916 -0.3916 -0.3915 -0.3915 1.7338 1.7338 1.7362 1.7362 1.7976 1.7976 4.4012 4.4012 11.6033 11.6033 12.0374 12.0374 12.3417 12.3417 14.0595 14.0595 14.2499 14.2499 16.6279 16.6279 k = 0.1781 0.1781 0.1781 ( 1827 PWs) bands (ev): -30.6638 -30.6638 -11.6384 -11.6384 -10.2053 -10.2053 -10.1962 -10.1962 -0.3907 -0.3907 -0.3897 -0.3897 1.7377 1.7377 1.7407 1.7407 1.7929 1.7929 4.4736 4.4736 11.5582 11.5582 12.0176 12.0176 12.2895 12.2895 14.0271 14.0271 14.2000 14.2000 16.6226 16.6226 k = 0.1849 0.1849 0.1849 ( 1833 PWs) bands (ev): -30.6631 -30.6631 -11.6412 -11.6412 -10.2089 -10.2089 -10.1998 -10.1998 -0.3899 -0.3899 -0.3878 -0.3878 1.7417 1.7417 1.7453 1.7453 1.7881 1.7881 4.5472 4.5472 11.5126 11.5126 11.9956 11.9956 12.2426 12.2426 13.9986 13.9986 14.1543 14.1543 16.6131 16.6131 k = 0.1918 0.1918 0.1918 ( 1827 PWs) bands (ev): -30.6623 -30.6623 -11.6441 -11.6441 -10.2125 -10.2125 -10.2034 -10.2034 -0.3892 -0.3892 -0.3860 -0.3860 1.7457 1.7457 1.7501 1.7501 1.7831 1.7831 4.6219 4.6219 11.4667 11.4667 11.9711 11.9711 12.2011 12.2011 13.9743 13.9743 14.1134 14.1134 16.5990 16.5990 k = 0.1986 0.1986 0.1986 ( 1818 PWs) bands (ev): -30.6615 -30.6615 -11.6470 -11.6470 -10.2161 -10.2161 -10.2070 -10.2070 -0.3885 -0.3885 -0.3841 -0.3841 1.7497 1.7497 1.7550 1.7550 1.7782 1.7782 4.6976 4.6976 11.4205 11.4205 11.9439 11.9439 12.1649 12.1649 13.9544 13.9544 14.0775 14.0775 16.5799 16.5799 k = 0.2055 0.2055 0.2055 ( 1830 PWs) bands (ev): -30.6608 -30.6608 -11.6500 -11.6500 -10.2197 -10.2197 -10.2107 -10.2107 -0.3880 -0.3880 -0.3822 -0.3822 1.7536 1.7536 1.7599 1.7599 1.7733 1.7733 4.7740 4.7740 11.3738 11.3738 11.9138 11.9138 12.1341 12.1341 13.9391 13.9391 14.0471 14.0471 16.5550 16.5550 k = 0.2123 0.2123 0.2123 ( 1830 PWs) bands (ev): -30.6600 -30.6600 -11.6529 -11.6529 -10.2233 -10.2233 -10.2144 -10.2144 -0.3874 -0.3874 -0.3804 -0.3804 1.7568 1.7568 1.7649 1.7649 1.7691 1.7691 4.8510 4.8510 11.3265 11.3265 11.8807 11.8807 12.1088 12.1088 13.9286 13.9286 14.0225 14.0225 16.5238 16.5238 k = 0.2192 0.2192 0.2192 ( 1830 PWs) bands (ev): -30.6592 -30.6592 -11.6559 -11.6559 -10.2269 -10.2269 -10.2182 -10.2182 -0.3870 -0.3870 -0.3785 -0.3785 1.7573 1.7573 1.7676 1.7676 1.7700 1.7700 4.9285 4.9285 11.2784 11.2784 11.8443 11.8443 12.0891 12.0891 13.9230 13.9230 14.0040 14.0040 16.4855 16.4855 k = 0.2260 0.2260 0.2260 ( 1830 PWs) bands (ev): -30.6584 -30.6584 -11.6588 -11.6588 -10.2304 -10.2304 -10.2220 -10.2220 -0.3866 -0.3866 -0.3767 -0.3767 1.7538 1.7538 1.7702 1.7702 1.7752 1.7752 5.0065 5.0065 11.2294 11.2294 11.8048 11.8048 12.0753 12.0753 13.9223 13.9223 13.9917 13.9917 16.4395 16.4395 k = 0.2329 0.2329 0.2329 ( 1818 PWs) bands (ev): -30.6575 -30.6575 -11.6618 -11.6618 -10.2339 -10.2339 -10.2258 -10.2258 -0.3861 -0.3861 -0.3748 -0.3748 1.7490 1.7490 1.7743 1.7743 1.7805 1.7805 5.0847 5.0847 11.1791 11.1791 11.7621 11.7621 12.0675 12.0675 13.9266 13.9266 13.9857 13.9857 16.3851 16.3851 k = 0.2397 0.2397 0.2397 ( 1818 PWs) bands (ev): -30.6567 -30.6567 -11.6648 -11.6648 -10.2374 -10.2374 -10.2296 -10.2296 -0.3857 -0.3857 -0.3730 -0.3730 1.7438 1.7438 1.7788 1.7788 1.7859 1.7859 5.1632 5.1632 11.1274 11.1274 11.7163 11.7163 12.0656 12.0656 13.9359 13.9359 13.9861 13.9861 16.3217 16.3217 k = 0.2466 0.2466 0.2466 ( 1824 PWs) bands (ev): -30.6559 -30.6559 -11.6677 -11.6677 -10.2409 -10.2409 -10.2335 -10.2335 -0.3854 -0.3854 -0.3712 -0.3712 1.7385 1.7385 1.7836 1.7836 1.7912 1.7912 5.2418 5.2418 11.0743 11.0743 11.6676 11.6676 12.0696 12.0696 13.9501 13.9501 13.9927 13.9927 16.2492 16.2492 k = 0.2534 0.2534 0.2534 ( 1824 PWs) bands (ev): -30.6551 -30.6551 -11.6707 -11.6707 -10.2444 -10.2444 -10.2373 -10.2373 -0.3850 -0.3850 -0.3694 -0.3694 1.7332 1.7332 1.7885 1.7885 1.7967 1.7967 5.3204 5.3204 11.0197 11.0197 11.6163 11.6163 12.0792 12.0792 13.9692 13.9692 14.0055 14.0055 16.1673 16.1673 k = 0.2603 0.2603 0.2603 ( 1806 PWs) bands (ev): -30.6543 -30.6543 -11.6736 -11.6736 -10.2477 -10.2477 -10.2411 -10.2411 -0.3845 -0.3845 -0.3676 -0.3676 1.7280 1.7280 1.7935 1.7935 1.8023 1.8023 5.3991 5.3991 10.9637 10.9637 11.5626 11.5626 12.0942 12.0942 13.9931 13.9931 14.0243 14.0243 16.0764 16.0764 k = 0.2671 0.2671 0.2671 ( 1806 PWs) bands (ev): -30.6535 -30.6535 -11.6765 -11.6765 -10.2511 -10.2511 -10.2449 -10.2449 -0.3840 -0.3840 -0.3659 -0.3659 1.7228 1.7228 1.7987 1.7987 1.8078 1.8078 5.4778 5.4778 10.9063 10.9063 11.5068 11.5068 12.1139 12.1139 14.0216 14.0216 14.0489 14.0489 15.9771 15.9771 k = 0.2740 0.2740 0.2740 ( 1806 PWs) bands (ev): -30.6527 -30.6527 -11.6794 -11.6794 -10.2544 -10.2544 -10.2486 -10.2486 -0.3835 -0.3835 -0.3642 -0.3642 1.7178 1.7178 1.8039 1.8039 1.8134 1.8134 5.5565 5.5565 10.8478 10.8478 11.4491 11.4491 12.1377 12.1377 14.0546 14.0546 14.0791 14.0791 15.8705 15.8705 k = 0.2808 0.2808 0.2808 ( 1803 PWs) bands (ev): -30.6519 -30.6519 -11.6823 -11.6823 -10.2577 -10.2577 -10.2524 -10.2524 -0.3829 -0.3829 -0.3625 -0.3625 1.7130 1.7130 1.8093 1.8093 1.8191 1.8191 5.6352 5.6352 10.7884 10.7884 11.3901 11.3901 12.1646 12.1646 14.0921 14.0921 14.1147 14.1147 15.7579 15.7579 k = 0.2877 0.2877 0.2877 ( 1809 PWs) bands (ev): -30.6511 -30.6511 -11.6851 -11.6851 -10.2610 -10.2610 -10.2561 -10.2561 -0.3822 -0.3822 -0.3609 -0.3609 1.7084 1.7084 1.8147 1.8147 1.8247 1.8247 5.7139 5.7139 10.7281 10.7281 11.3298 11.3298 12.1934 12.1934 14.1339 14.1339 14.1553 14.1553 15.6413 15.6413 k = 0.2945 0.2945 0.2945 ( 1803 PWs) bands (ev): -30.6503 -30.6503 -11.6879 -11.6879 -10.2642 -10.2642 -10.2597 -10.2597 -0.3813 -0.3813 -0.3593 -0.3593 1.7039 1.7039 1.8202 1.8202 1.8304 1.8304 5.7927 5.7927 10.6674 10.6674 11.2688 11.2688 12.2228 12.2228 14.1798 14.1798 14.2008 14.2008 15.5228 15.5228 k = 0.3014 0.3014 0.3014 ( 1803 PWs) bands (ev): -30.6496 -30.6496 -11.6907 -11.6907 -10.2673 -10.2673 -10.2634 -10.2634 -0.3804 -0.3804 -0.3577 -0.3577 1.6997 1.6997 1.8258 1.8258 1.8361 1.8361 5.8716 5.8716 10.6063 10.6063 11.2072 11.2072 12.2510 12.2510 14.2296 14.2296 14.2508 14.2508 15.4050 15.4050 k = 0.3082 0.3082 0.3082 ( 1809 PWs) bands (ev): -30.6488 -30.6488 -11.6934 -11.6934 -10.2705 -10.2705 -10.2669 -10.2669 -0.3794 -0.3794 -0.3561 -0.3561 1.6957 1.6957 1.8314 1.8314 1.8418 1.8418 5.9506 5.9506 10.5452 10.5452 11.1454 11.1454 12.2762 12.2762 14.2833 14.2833 14.3052 14.3052 15.2908 15.2908 k = 0.3151 0.3151 0.3151 ( 1815 PWs) bands (ev): -30.6481 -30.6481 -11.6961 -11.6961 -10.2736 -10.2736 -10.2704 -10.2704 -0.3782 -0.3782 -0.3546 -0.3546 1.6920 1.6920 1.8371 1.8371 1.8475 1.8475 6.0299 6.0299 10.4842 10.4842 11.0836 11.0836 12.2958 12.2958 14.3406 14.3406 14.3638 14.3638 15.1833 15.1833 k = 0.3219 0.3219 0.3219 ( 1815 PWs) bands (ev): -30.6473 -30.6473 -11.6988 -11.6988 -10.2766 -10.2766 -10.2738 -10.2738 -0.3769 -0.3769 -0.3531 -0.3531 1.6885 1.6885 1.8428 1.8428 1.8532 1.8532 6.1095 6.1095 10.4236 10.4236 11.0221 11.0221 12.3075 12.3075 14.4015 14.4015 14.4262 14.4262 15.0859 15.0859 k = 0.3288 0.3288 0.3288 ( 1818 PWs) bands (ev): -30.6466 -30.6466 -11.7014 -11.7014 -10.2796 -10.2796 -10.2772 -10.2772 -0.3754 -0.3754 -0.3517 -0.3517 1.6853 1.6853 1.8486 1.8486 1.8588 1.8588 6.1895 6.1895 10.3635 10.3635 10.9612 10.9612 12.3084 12.3084 14.4657 14.4657 14.4923 14.4923 15.0021 15.0021 k = 0.3356 0.3356 0.3356 ( 1812 PWs) bands (ev): -30.6459 -30.6459 -11.7039 -11.7039 -10.2825 -10.2825 -10.2804 -10.2804 -0.3738 -0.3738 -0.3503 -0.3503 1.6823 1.6823 1.8544 1.8544 1.8645 1.8645 6.2700 6.2700 10.3041 10.3041 10.9011 10.9011 12.2959 12.2959 14.5331 14.5331 14.5620 14.5620 14.9351 14.9351 k = 0.3425 0.3425 0.3425 ( 1812 PWs) bands (ev): -30.6452 -30.6452 -11.7064 -11.7064 -10.2853 -10.2853 -10.2836 -10.2836 -0.3721 -0.3721 -0.3489 -0.3489 1.6796 1.6796 1.8602 1.8602 1.8700 1.8700 6.3511 6.3511 10.2457 10.2457 10.8420 10.8420 12.2680 12.2680 14.6034 14.6034 14.6349 14.6349 14.8878 14.8878 k = 0.3493 0.3493 0.3493 ( 1821 PWs) bands (ev): -30.6446 -30.6446 -11.7088 -11.7088 -10.2881 -10.2881 -10.2867 -10.2867 -0.3703 -0.3703 -0.3476 -0.3476 1.6771 1.6771 1.8659 1.8659 1.8755 1.8755 6.4328 6.4328 10.1882 10.1882 10.7841 10.7841 12.2232 12.2232 14.6761 14.6761 14.7110 14.7110 14.8622 14.8622 k = 0.3562 0.3562 0.3562 ( 1821 PWs) bands (ev): -30.6439 -30.6439 -11.7111 -11.7111 -10.2908 -10.2908 -10.2897 -10.2897 -0.3683 -0.3683 -0.3464 -0.3464 1.6750 1.6750 1.8716 1.8716 1.8809 1.8809 6.5153 6.5153 10.1321 10.1321 10.7276 10.7276 12.1611 12.1611 14.7503 14.7503 14.7900 14.7900 14.8601 14.8601 k = 0.3630 0.3630 0.3630 ( 1809 PWs) bands (ev): -30.6433 -30.6433 -11.7134 -11.7134 -10.2935 -10.2935 -10.2926 -10.2926 -0.3662 -0.3662 -0.3451 -0.3451 1.6730 1.6730 1.8774 1.8774 1.8862 1.8862 6.5986 6.5986 10.0772 10.0772 10.6726 10.6726 12.0824 12.0824 14.8228 14.8228 14.8718 14.8718 14.8839 14.8839 k = 0.3699 0.3699 0.3699 ( 1808 PWs) bands (ev): -30.6427 -30.6427 -11.7156 -11.7156 -10.2960 -10.2960 -10.2954 -10.2954 -0.3641 -0.3641 -0.3440 -0.3440 1.6713 1.6713 1.8830 1.8830 1.8914 1.8914 6.6828 6.6828 10.0238 10.0238 10.6194 10.6194 11.9888 11.9888 14.8873 14.8873 14.9386 14.9386 14.9562 14.9562 k = 0.3767 0.3767 0.3767 ( 1814 PWs) bands (ev): -30.6422 -30.6422 -11.7177 -11.7177 -10.2985 -10.2985 -10.2980 -10.2980 -0.3619 -0.3619 -0.3428 -0.3428 1.6698 1.6698 1.8885 1.8885 1.8965 1.8965 6.7679 6.7679 9.9719 9.9719 10.5680 10.5680 11.8823 11.8823 14.9507 14.9507 15.0151 15.0151 15.0430 15.0430 k = 0.3836 0.3836 0.3836 ( 1814 PWs) bands (ev): -30.6416 -30.6416 -11.7197 -11.7197 -10.3009 -10.3009 -10.3006 -10.3006 -0.3596 -0.3596 -0.3418 -0.3418 1.6686 1.6686 1.8940 1.8940 1.9014 1.9014 6.8540 6.8540 9.9216 9.9216 10.5187 10.5187 11.7655 11.7655 15.0241 15.0241 15.0999 15.0999 15.1321 15.1321 k = 0.3904 0.3904 0.3904 ( 1814 PWs) bands (ev): -30.6411 -30.6411 -11.7217 -11.7217 -10.3032 -10.3032 -10.3030 -10.3030 -0.3573 -0.3573 -0.3407 -0.3407 1.6675 1.6675 1.8993 1.8993 1.9061 1.9061 6.9411 6.9411 9.8729 9.8729 10.4715 10.4715 11.6406 11.6406 15.1089 15.1089 15.1890 15.1890 15.2234 15.2234 k = 0.3973 0.3973 0.3973 ( 1817 PWs) bands (ev): -30.6406 -30.6406 -11.7235 -11.7235 -10.3054 -10.3054 -10.3053 -10.3053 -0.3549 -0.3549 -0.3398 -0.3398 1.6666 1.6666 1.9044 1.9044 1.9107 1.9107 7.0291 7.0291 9.8259 9.8259 10.4265 10.4265 11.5100 11.5100 15.2037 15.2037 15.2816 15.2816 15.3167 15.3167 k = 0.4041 0.4041 0.4041 ( 1820 PWs) bands (ev): -30.6401 -30.6401 -11.7253 -11.7253 -10.3075 -10.3075 -10.3075 -10.3075 -0.3526 -0.3526 -0.3388 -0.3388 1.6658 1.6658 1.9094 1.9094 1.9151 1.9151 7.1181 7.1181 9.7806 9.7806 10.3840 10.3840 11.3758 11.3758 15.3060 15.3060 15.3779 15.3779 15.4119 15.4119 k = 0.4110 0.4110 0.4110 ( 1820 PWs) bands (ev): -30.6397 -30.6397 -11.7269 -11.7269 -10.3095 -10.3095 -10.3095 -10.3095 -0.3503 -0.3503 -0.3380 -0.3380 1.6652 1.6652 1.9141 1.9141 1.9193 1.9193 7.2079 7.2079 9.7369 9.7369 10.3439 10.3439 11.2399 11.2399 15.4128 15.4128 15.4787 15.4787 15.5087 15.5087 k = 0.4178 0.4178 0.4178 ( 1814 PWs) bands (ev): -30.6393 -30.6393 -11.7285 -11.7285 -10.3115 -10.3115 -10.3114 -10.3114 -0.3480 -0.3480 -0.3372 -0.3372 1.6648 1.6648 1.9187 1.9187 1.9232 1.9232 7.2983 7.2983 9.6947 9.6947 10.3065 10.3065 11.1040 11.1040 15.5208 15.5208 15.5857 15.5857 15.6071 15.6071 k = 0.4247 0.4247 0.4247 ( 1808 PWs) bands (ev): -30.6389 -30.6389 -11.7299 -11.7299 -10.3132 -10.3132 -10.3131 -10.3131 -0.3458 -0.3458 -0.3364 -0.3364 1.6645 1.6645 1.9230 1.9230 1.9269 1.9269 7.3891 7.3891 9.6539 9.6539 10.2717 10.2717 10.9698 10.9698 15.6272 15.6272 15.6994 15.6994 15.7068 15.7068 k = 0.4315 0.4315 0.4315 ( 1814 PWs) bands (ev): -30.6385 -30.6385 -11.7312 -11.7312 -10.3148 -10.3148 -10.3147 -10.3147 -0.3437 -0.3437 -0.3357 -0.3357 1.6642 1.6642 1.9270 1.9270 1.9303 1.9303 7.4799 7.4799 9.6143 9.6143 10.2396 10.2396 10.8389 10.8389 15.7314 15.7314 15.8077 15.8077 15.8185 15.8185 k = 0.4384 0.4384 0.4384 ( 1814 PWs) bands (ev): -30.6382 -30.6382 -11.7324 -11.7324 -10.3163 -10.3163 -10.3162 -10.3162 -0.3417 -0.3417 -0.3351 -0.3351 1.6640 1.6640 1.9307 1.9307 1.9335 1.9335 7.5702 7.5702 9.5756 9.5756 10.2104 10.2104 10.7129 10.7129 15.8344 15.8344 15.9095 15.9095 15.9402 15.9402 k = 0.4452 0.4452 0.4452 ( 1820 PWs) bands (ev): -30.6379 -30.6379 -11.7335 -11.7335 -10.3177 -10.3177 -10.3175 -10.3175 -0.3399 -0.3399 -0.3346 -0.3346 1.6639 1.6639 1.9340 1.9340 1.9363 1.9363 7.6594 7.6594 9.5376 9.5376 10.1841 10.1841 10.5936 10.5936 15.9365 15.9365 16.0121 16.0121 16.0618 16.0618 k = 0.4521 0.4521 0.4521 ( 1820 PWs) bands (ev): -30.6377 -30.6377 -11.7345 -11.7345 -10.3188 -10.3188 -10.3187 -10.3187 -0.3382 -0.3382 -0.3341 -0.3341 1.6639 1.6639 1.9371 1.9371 1.9389 1.9389 7.7464 7.7464 9.5000 9.5000 10.1607 10.1607 10.4826 10.4826 16.0378 16.0378 16.1150 16.1150 16.1806 16.1806 k = 0.4589 0.4589 0.4589 ( 1820 PWs) bands (ev): -30.6375 -30.6375 -11.7353 -11.7353 -10.3199 -10.3199 -10.3198 -10.3198 -0.3367 -0.3367 -0.3336 -0.3336 1.6638 1.6638 1.9398 1.9398 1.9411 1.9411 7.8301 7.8301 9.4627 9.4627 10.1403 10.1403 10.3820 10.3820 16.1381 16.1381 16.2179 16.2179 16.2942 16.2942 k = 0.4658 0.4658 0.4658 ( 1835 PWs) bands (ev): -30.6373 -30.6373 -11.7361 -11.7361 -10.3207 -10.3207 -10.3207 -10.3207 -0.3355 -0.3355 -0.3333 -0.3333 1.6638 1.6638 1.9420 1.9420 1.9430 1.9430 7.9086 7.9086 9.4260 9.4260 10.1230 10.1230 10.2936 10.2936 16.2363 16.2363 16.3201 16.3201 16.3997 16.3997 k = 0.4726 0.4726 0.4726 ( 1844 PWs) bands (ev): -30.6371 -30.6371 -11.7367 -11.7367 -10.3215 -10.3215 -10.3214 -10.3214 -0.3344 -0.3344 -0.3330 -0.3330 1.6638 1.6638 1.9439 1.9439 1.9445 1.9445 7.9797 7.9797 9.3908 9.3908 10.1088 10.1088 10.2192 10.2192 16.3307 16.3307 16.4206 16.4206 16.4945 16.4945 k = 0.4795 0.4795 0.4795 ( 1856 PWs) bands (ev): -30.6370 -30.6370 -11.7371 -11.7371 -10.3220 -10.3220 -10.3220 -10.3220 -0.3336 -0.3336 -0.3328 -0.3328 1.6638 1.6638 1.9454 1.9454 1.9458 1.9458 8.0405 8.0405 9.3587 9.3587 10.0977 10.0977 10.1603 10.1603 16.4182 16.4182 16.5174 16.5174 16.5759 16.5759 k = 0.4863 0.4863 0.4863 ( 1856 PWs) bands (ev): -30.6369 -30.6369 -11.7375 -11.7375 -10.3224 -10.3224 -10.3224 -10.3224 -0.3330 -0.3330 -0.3326 -0.3326 1.6639 1.6639 1.9465 1.9465 1.9466 1.9466 8.0876 8.0876 9.3324 9.3324 10.0898 10.0898 10.1177 10.1177 16.4929 16.4929 16.6062 16.6062 16.6414 16.6414 k = 0.4932 0.4932 0.4932 ( 1856 PWs) bands (ev): -30.6369 -30.6369 -11.7377 -11.7377 -10.3227 -10.3227 -10.3227 -10.3227 -0.3326 -0.3326 -0.3325 -0.3325 1.6639 1.6639 1.9471 1.9471 1.9472 1.9472 8.1177 8.1177 9.3149 9.3149 10.0850 10.0850 10.0920 10.0920 16.5450 16.5450 16.6765 16.6765 16.6877 16.6877 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): -30.6369 -30.6369 -11.7377 -11.7377 -10.3227 -10.3227 -10.3227 -10.3227 -0.3325 -0.3325 -0.3325 -0.3325 1.6639 1.6639 1.9473 1.9473 1.9473 1.9473 8.1281 8.1281 9.3087 9.3087 10.0834 10.0834 10.0834 10.0834 16.5639 16.5639 16.7057 16.7057 16.7057 16.7057 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): -30.6369 -30.6369 -11.7377 -11.7377 -10.3227 -10.3227 -10.3227 -10.3227 -0.3325 -0.3325 -0.3325 -0.3325 1.6639 1.6639 1.9473 1.9473 1.9473 1.9473 8.1281 8.1281 9.3087 9.3087 10.0834 10.0834 10.0834 10.0834 16.5639 16.5639 16.7057 16.7057 16.7057 16.7057 k = 0.4917 0.5000 0.4917 ( 1856 PWs) bands (ev): -30.6369 -30.6369 -11.7377 -11.7377 -10.3227 -10.3227 -10.3226 -10.3226 -0.3326 -0.3326 -0.3325 -0.3325 1.6639 1.6639 1.9471 1.9471 1.9472 1.9472 8.1179 8.1179 9.3148 9.3148 10.0849 10.0849 10.0920 10.0920 16.5445 16.5445 16.6724 16.6724 16.6940 16.6940 k = 0.4833 0.5000 0.4833 ( 1856 PWs) bands (ev): -30.6369 -30.6369 -11.7375 -11.7375 -10.3226 -10.3226 -10.3222 -10.3222 -0.3329 -0.3329 -0.3326 -0.3326 1.6639 1.6639 1.9463 1.9463 1.9469 1.9469 8.0882 8.0882 9.3321 9.3321 10.0893 10.0893 10.1177 10.1177 16.4858 16.4858 16.5960 16.5960 16.6693 16.6693 k = 0.4750 0.5000 0.4750 ( 1856 PWs) bands (ev): -30.6370 -30.6370 -11.7372 -11.7372 -10.3225 -10.3225 -10.3215 -10.3215 -0.3335 -0.3335 -0.3328 -0.3328 1.6638 1.6638 1.9449 1.9449 1.9463 1.9463 8.0416 8.0416 9.3580 9.3580 10.0966 10.0966 10.1603 10.1603 16.3965 16.3965 16.4999 16.4999 16.6425 16.6425 k = 0.4667 0.5000 0.4667 ( 1836 PWs) bands (ev): -30.6371 -30.6371 -11.7367 -11.7367 -10.3223 -10.3223 -10.3206 -10.3206 -0.3343 -0.3343 -0.3330 -0.3330 1.6638 1.6638 1.9431 1.9431 1.9455 1.9455 7.9817 7.9817 9.3894 9.3894 10.1067 10.1067 10.2196 10.2196 16.2910 16.2910 16.3914 16.3914 16.6137 16.6137 k = 0.4583 0.5000 0.4583 ( 1828 PWs) bands (ev): -30.6373 -30.6373 -11.7361 -11.7361 -10.3221 -10.3221 -10.3194 -10.3194 -0.3353 -0.3353 -0.3334 -0.3334 1.6638 1.6638 1.9407 1.9407 1.9445 1.9445 7.9117 7.9117 9.4236 9.4236 10.1197 10.1197 10.2946 10.2946 16.1782 16.1782 16.2739 16.2739 16.5811 16.5811 k = 0.4500 0.5000 0.4500 ( 1828 PWs) bands (ev): -30.6375 -30.6375 -11.7354 -11.7354 -10.3218 -10.3218 -10.3179 -10.3179 -0.3366 -0.3366 -0.3338 -0.3338 1.6638 1.6638 1.9378 1.9378 1.9432 1.9432 7.8345 7.8345 9.4589 9.4589 10.1353 10.1353 10.3842 10.3842 16.0620 16.0620 16.1502 16.1502 16.5439 16.5439 k = 0.4417 0.5000 0.4417 ( 1820 PWs) bands (ev): -30.6377 -30.6377 -11.7345 -11.7345 -10.3214 -10.3214 -10.3162 -10.3162 -0.3380 -0.3380 -0.3342 -0.3342 1.6638 1.6638 1.9344 1.9344 1.9418 1.9418 7.7524 7.7524 9.4943 9.4943 10.1536 10.1536 10.4868 10.4868 15.9441 15.9441 16.0227 16.0227 16.5019 16.5019 k = 0.4333 0.5000 0.4333 ( 1820 PWs) bands (ev): -30.6379 -30.6379 -11.7336 -11.7336 -10.3211 -10.3211 -10.3143 -10.3143 -0.3397 -0.3397 -0.3347 -0.3347 1.6638 1.6638 1.9305 1.9305 1.9401 1.9401 7.6673 7.6673 9.5293 9.5293 10.1744 10.1744 10.6008 10.6008 15.8252 15.8252 15.8936 15.8936 16.4555 16.4555 k = 0.4250 0.5000 0.4250 ( 1820 PWs) bands (ev): -30.6382 -30.6382 -11.7325 -11.7325 -10.3206 -10.3206 -10.3121 -10.3121 -0.3415 -0.3415 -0.3353 -0.3353 1.6639 1.6639 1.9263 1.9263 1.9382 1.9382 7.5804 7.5804 9.5639 9.5639 10.1976 10.1976 10.7246 10.7246 15.7052 15.7052 15.7650 15.7650 16.4048 16.4048 k = 0.4167 0.5000 0.4167 ( 1824 PWs) bands (ev): -30.6385 -30.6385 -11.7314 -11.7314 -10.3202 -10.3202 -10.3097 -10.3097 -0.3435 -0.3435 -0.3360 -0.3360 1.6640 1.6640 1.9215 1.9215 1.9362 1.9362 7.4928 7.4928 9.5981 9.5981 10.2231 10.2231 10.8567 10.8567 15.5838 15.5838 15.6390 15.6390 16.3503 16.3503 k = 0.4083 0.5000 0.4083 ( 1816 PWs) bands (ev): -30.6388 -30.6388 -11.7301 -11.7301 -10.3197 -10.3197 -10.3070 -10.3070 -0.3456 -0.3456 -0.3367 -0.3367 1.6641 1.6641 1.9165 1.9165 1.9340 1.9340 7.4053 7.4053 9.6319 9.6319 10.2508 10.2508 10.9960 10.9960 15.4611 15.4611 15.5170 15.5170 16.2926 16.2926 k = 0.4000 0.5000 0.4000 ( 1820 PWs) bands (ev): -30.6392 -30.6392 -11.7287 -11.7287 -10.3191 -10.3191 -10.3041 -10.3041 -0.3479 -0.3479 -0.3374 -0.3374 1.6643 1.6643 1.9110 1.9110 1.9316 1.9316 7.3184 7.3184 9.6653 9.6653 10.2806 10.2806 11.1414 11.1414 15.3383 15.3383 15.3989 15.3989 16.2319 16.2319 k = 0.3917 0.5000 0.3917 ( 1824 PWs) bands (ev): -30.6396 -30.6396 -11.7272 -11.7272 -10.3185 -10.3185 -10.3010 -10.3010 -0.3502 -0.3502 -0.3382 -0.3382 1.6646 1.6646 1.9052 1.9052 1.9290 1.9290 7.2326 7.2326 9.6981 9.6981 10.3124 10.3124 11.2919 11.2919 15.2171 15.2171 15.2842 15.2842 16.1688 16.1688 k = 0.3833 0.5000 0.3833 ( 1824 PWs) bands (ev): -30.6400 -30.6400 -11.7257 -11.7257 -10.3179 -10.3179 -10.2977 -10.2977 -0.3527 -0.3527 -0.3391 -0.3391 1.6650 1.6650 1.8991 1.8991 1.9263 1.9263 7.1483 7.1483 9.7301 9.7301 10.3462 10.3462 11.4469 11.4469 15.0993 15.0993 15.1722 15.1722 16.1037 16.1037 k = 0.3750 0.5000 0.3750 ( 1812 PWs) bands (ev): -30.6405 -30.6405 -11.7240 -11.7240 -10.3173 -10.3173 -10.2942 -10.2942 -0.3552 -0.3552 -0.3399 -0.3399 1.6655 1.6655 1.8928 1.8928 1.9235 1.9235 7.0658 7.0658 9.7607 9.7607 10.3820 10.3820 11.6056 11.6056 14.9862 14.9862 15.0625 15.0625 16.0372 16.0372 k = 0.3667 0.5000 0.3667 ( 1816 PWs) bands (ev): -30.6409 -30.6409 -11.7223 -11.7223 -10.3166 -10.3166 -10.2905 -10.2905 -0.3577 -0.3577 -0.3408 -0.3408 1.6660 1.6660 1.8863 1.8863 1.9205 1.9205 6.9851 6.9851 9.7896 9.7896 10.4197 10.4197 11.7673 11.7673 14.8790 14.8790 14.9549 14.9549 15.9697 15.9697 k = 0.3583 0.5000 0.3583 ( 1808 PWs) bands (ev): -30.6414 -30.6414 -11.7205 -11.7205 -10.3159 -10.3159 -10.2866 -10.2866 -0.3603 -0.3603 -0.3417 -0.3417 1.6668 1.6668 1.8796 1.8796 1.9175 1.9175 6.9066 6.9066 9.8159 9.8159 10.4595 10.4595 11.9316 11.9316 14.7785 14.7785 14.8494 14.8494 15.9017 15.9017 k = 0.3500 0.5000 0.3500 ( 1808 PWs) bands (ev): -30.6420 -30.6420 -11.7186 -11.7186 -10.3152 -10.3152 -10.2826 -10.2826 -0.3629 -0.3629 -0.3427 -0.3427 1.6676 1.6676 1.8727 1.8727 1.9143 1.9143 6.8303 6.8303 9.8391 9.8391 10.5015 10.5015 12.0977 12.0977 14.6854 14.6854 14.7461 14.7461 15.8338 15.8338 k = 0.3417 0.5000 0.3417 ( 1808 PWs) bands (ev): -30.6425 -30.6425 -11.7167 -11.7167 -10.3144 -10.3144 -10.2784 -10.2784 -0.3655 -0.3655 -0.3436 -0.3436 1.6686 1.6686 1.8657 1.8657 1.9111 1.9111 6.7563 6.7563 9.8583 9.8583 10.5458 10.5458 12.2649 12.2649 14.5999 14.5999 14.6456 14.6456 15.7666 15.7666 k = 0.3333 0.5000 0.3333 ( 1810 PWs) bands (ev): -30.6430 -30.6430 -11.7147 -11.7147 -10.3137 -10.3137 -10.2740 -10.2740 -0.3681 -0.3681 -0.3446 -0.3446 1.6698 1.6698 1.8587 1.8587 1.9078 1.9078 6.6847 6.6847 9.8728 9.8728 10.5927 10.5927 12.4326 12.4326 14.5196 14.5196 14.5511 14.5511 15.7008 15.7008 k = 0.3250 0.5000 0.3250 ( 1810 PWs) bands (ev): -30.6436 -30.6436 -11.7127 -11.7127 -10.3129 -10.3129 -10.2696 -10.2696 -0.3707 -0.3707 -0.3455 -0.3455 1.6711 1.6711 1.8516 1.8516 1.9044 1.9044 6.6156 6.6156 9.8818 9.8818 10.6424 10.6424 12.5998 12.5998 14.4340 14.4340 14.4737 14.4737 15.6373 15.6373 k = 0.3167 0.5000 0.3167 ( 1808 PWs) bands (ev): -30.6442 -30.6442 -11.7106 -11.7106 -10.3121 -10.3121 -10.2650 -10.2650 -0.3731 -0.3731 -0.3465 -0.3465 1.6726 1.6726 1.8445 1.8445 1.9010 1.9010 6.5490 6.5490 9.8846 9.8846 10.6948 10.6948 12.7655 12.7655 14.3411 14.3411 14.4157 14.4157 15.5770 15.5770 k = 0.3083 0.5000 0.3083 ( 1808 PWs) bands (ev): -30.6448 -30.6448 -11.7085 -11.7085 -10.3113 -10.3113 -10.2603 -10.2603 -0.3756 -0.3756 -0.3474 -0.3474 1.6743 1.6743 1.8374 1.8374 1.8976 1.8976 6.4849 6.4849 9.8809 9.8809 10.7501 10.7501 12.9284 12.9284 14.2477 14.2477 14.3711 14.3711 15.5213 15.5213 k = 0.3000 0.5000 0.3000 ( 1818 PWs) bands (ev): -30.6454 -30.6454 -11.7064 -11.7064 -10.3105 -10.3105 -10.2555 -10.2555 -0.3779 -0.3779 -0.3483 -0.3483 1.6761 1.6761 1.8304 1.8304 1.8941 1.8941 6.4233 6.4233 9.8702 9.8702 10.8084 10.8084 13.0868 13.0868 14.1555 14.1555 14.3382 14.3382 15.4717 15.4717 k = 0.2917 0.5000 0.2917 ( 1814 PWs) bands (ev): -30.6460 -30.6460 -11.7043 -11.7043 -10.3097 -10.3097 -10.2506 -10.2506 -0.3802 -0.3802 -0.3492 -0.3492 1.6781 1.6781 1.8235 1.8235 1.8906 1.8906 6.3642 6.3642 9.8525 9.8525 10.8694 10.8694 13.2385 13.2385 14.0650 14.0650 14.3167 14.3167 15.4304 15.4304 k = 0.2833 0.5000 0.2833 ( 1808 PWs) bands (ev): -30.6467 -30.6467 -11.7022 -11.7022 -10.3089 -10.3089 -10.2457 -10.2457 -0.3823 -0.3823 -0.3500 -0.3500 1.6804 1.6804 1.8168 1.8168 1.8872 1.8872 6.3076 6.3076 9.8277 9.8277 10.9332 10.9332 13.3807 13.3807 13.9764 13.9764 14.3065 14.3065 15.4000 15.4000 k = 0.2750 0.5000 0.2750 ( 1804 PWs) bands (ev): -30.6473 -30.6473 -11.7000 -11.7000 -10.3081 -10.3081 -10.2407 -10.2407 -0.3843 -0.3843 -0.3508 -0.3508 1.6828 1.6828 1.8102 1.8102 1.8837 1.8837 6.2536 6.2536 9.7960 9.7960 10.9995 10.9995 13.5102 13.5102 13.8898 13.8898 14.3072 14.3072 15.3838 15.3838 k = 0.2667 0.5000 0.2667 ( 1804 PWs) bands (ev): -30.6479 -30.6479 -11.6979 -11.6979 -10.3073 -10.3073 -10.2356 -10.2356 -0.3862 -0.3862 -0.3516 -0.3516 1.6854 1.6854 1.8038 1.8038 1.8803 1.8803 6.2020 6.2020 9.7578 9.7578 11.0681 11.0681 13.6229 13.6229 13.8055 13.8055 14.3184 14.3184 15.3855 15.3855 k = 0.2583 0.5000 0.2583 ( 1802 PWs) bands (ev): -30.6486 -30.6486 -11.6957 -11.6957 -10.3066 -10.3066 -10.2306 -10.2306 -0.3880 -0.3880 -0.3523 -0.3523 1.6881 1.6881 1.7977 1.7977 1.8769 1.8769 6.1529 6.1529 9.7136 9.7136 11.1388 11.1388 13.7069 13.7069 13.7320 13.7320 14.3393 14.3393 15.4089 15.4089 k = 0.2500 0.5000 0.2500 ( 1800 PWs) bands (ev): -30.6492 -30.6492 -11.6936 -11.6936 -10.3058 -10.3058 -10.2255 -10.2255 -0.3897 -0.3897 -0.3529 -0.3529 1.6910 1.6910 1.7919 1.7919 1.8736 1.8736 6.1062 6.1062 9.6639 9.6639 11.2114 11.2114 13.6403 13.6403 13.7885 13.7885 14.3691 14.3691 15.4567 15.4567 k = 0.2417 0.5000 0.2417 ( 1806 PWs) bands (ev): -30.6499 -30.6499 -11.6915 -11.6915 -10.3050 -10.3050 -10.2205 -10.2205 -0.3913 -0.3913 -0.3535 -0.3535 1.6939 1.6939 1.7864 1.7864 1.8703 1.8703 6.0618 6.0618 9.6093 9.6093 11.2855 11.2855 13.5624 13.5624 13.8351 13.8351 14.4066 14.4066 15.5299 15.5299 k = 0.2333 0.5000 0.2333 ( 1806 PWs) bands (ev): -30.6505 -30.6505 -11.6895 -11.6895 -10.3043 -10.3043 -10.2154 -10.2154 -0.3927 -0.3927 -0.3540 -0.3540 1.6970 1.6970 1.7813 1.7813 1.8671 1.8671 6.0198 6.0198 9.5505 9.5505 11.3610 11.3610 13.4863 13.4863 13.8600 13.8600 14.4511 14.4511 15.6273 15.6273 k = 0.2250 0.5000 0.2250 ( 1802 PWs) bands (ev): -30.6512 -30.6512 -11.6875 -11.6875 -10.3035 -10.3035 -10.2104 -10.2104 -0.3940 -0.3940 -0.3544 -0.3544 1.7000 1.7000 1.7766 1.7766 1.8639 1.8639 5.9800 5.9800 9.4881 9.4881 11.4376 11.4376 13.4123 13.4123 13.8655 13.8655 14.5018 14.5018 15.7460 15.7460 k = 0.2167 0.5000 0.2167 ( 1810 PWs) bands (ev): -30.6518 -30.6518 -11.6855 -11.6855 -10.3028 -10.3028 -10.2054 -10.2054 -0.3952 -0.3952 -0.3548 -0.3548 1.7029 1.7029 1.7725 1.7725 1.8609 1.8609 5.9425 5.9425 9.4229 9.4229 11.5149 11.5149 13.3406 13.3406 13.8552 13.8552 14.5581 14.5581 15.8819 15.8819 k = 0.2083 0.5000 0.2083 ( 1810 PWs) bands (ev): -30.6524 -30.6524 -11.6835 -11.6835 -10.3021 -10.3021 -10.2005 -10.2005 -0.3963 -0.3963 -0.3550 -0.3550 1.7057 1.7057 1.7689 1.7689 1.8579 1.8579 5.9072 5.9072 9.3554 9.3554 11.5928 11.5928 13.2712 13.2712 13.8326 13.8326 14.6194 14.6194 16.0314 16.0314 k = 0.2000 0.5000 0.2000 ( 1802 PWs) bands (ev): -30.6530 -30.6530 -11.6816 -11.6816 -10.3014 -10.3014 -10.1956 -10.1956 -0.3973 -0.3973 -0.3551 -0.3551 1.7083 1.7083 1.7662 1.7662 1.8550 1.8550 5.8740 5.8740 9.2863 9.2863 11.6709 11.6709 13.2041 13.2041 13.8008 13.8008 14.6848 14.6848 16.1908 16.1908 k = 0.1917 0.5000 0.1917 ( 1814 PWs) bands (ev): -30.6537 -30.6537 -11.6798 -11.6798 -10.3008 -10.3008 -10.1909 -10.1909 -0.3983 -0.3983 -0.3552 -0.3552 1.7103 1.7103 1.7642 1.7642 1.8522 1.8522 5.8428 5.8428 9.2162 9.2162 11.7489 11.7489 13.1394 13.1394 13.7623 13.7623 14.7535 14.7535 16.3573 16.3573 k = 0.1833 0.5000 0.1833 ( 1810 PWs) bands (ev): -30.6543 -30.6543 -11.6780 -11.6780 -10.3001 -10.3001 -10.1862 -10.1862 -0.3991 -0.3991 -0.3551 -0.3551 1.7118 1.7118 1.7632 1.7632 1.8496 1.8496 5.8137 5.8137 9.1456 9.1456 11.8266 11.8266 13.0771 13.0771 13.7194 13.7194 14.8247 14.8247 16.5285 16.5285 k = 0.1750 0.5000 0.1750 ( 1810 PWs) bands (ev): -30.6548 -30.6548 -11.6763 -11.6763 -10.2995 -10.2995 -10.1817 -10.1817 -0.3999 -0.3999 -0.3550 -0.3550 1.7127 1.7127 1.7632 1.7632 1.8470 1.8470 5.7865 5.7865 9.0750 9.0750 11.9036 11.9036 13.0172 13.0172 13.6735 13.6735 14.8974 14.8974 16.7012 16.7012 k = 0.1667 0.5000 0.1667 ( 1810 PWs) bands (ev): -30.6554 -30.6554 -11.6746 -11.6746 -10.2989 -10.2989 -10.1772 -10.1772 -0.4006 -0.4006 -0.3548 -0.3548 1.7130 1.7130 1.7643 1.7643 1.8445 1.8445 5.7611 5.7611 9.0050 9.0050 11.9797 11.9797 12.9598 12.9598 13.6260 13.6260 14.9708 14.9708 16.8652 16.8652 k = 0.1583 0.5000 0.1583 ( 1810 PWs) bands (ev): -30.6560 -30.6560 -11.6730 -11.6730 -10.2983 -10.2983 -10.1729 -10.1729 -0.4013 -0.4013 -0.3544 -0.3544 1.7127 1.7127 1.7662 1.7662 1.8422 1.8422 5.7376 5.7376 8.9359 8.9359 12.0544 12.0544 12.9050 12.9050 13.5778 13.5778 15.0441 15.0441 16.9394 16.9394 k = 0.1500 0.5000 0.1500 ( 1806 PWs) bands (ev): -30.6565 -30.6565 -11.6715 -11.6715 -10.2978 -10.2978 -10.1688 -10.1688 -0.4018 -0.4018 -0.3540 -0.3540 1.7120 1.7120 1.7688 1.7688 1.8400 1.8400 5.7158 5.7158 8.8682 8.8682 12.1275 12.1275 12.8528 12.8528 13.5298 13.5298 15.1166 15.1166 16.9366 16.9366 k = 0.1417 0.5000 0.1417 ( 1806 PWs) bands (ev): -30.6570 -30.6570 -11.6701 -11.6701 -10.2972 -10.2972 -10.1648 -10.1648 -0.4024 -0.4024 -0.3535 -0.3535 1.7109 1.7109 1.7720 1.7720 1.8380 1.8380 5.6956 5.6956 8.8022 8.8022 12.1984 12.1984 12.8031 12.8031 13.4828 13.4828 15.1873 15.1873 16.9267 16.9267 k = 0.1333 0.5000 0.1333 ( 1814 PWs) bands (ev): -30.6575 -30.6575 -11.6687 -11.6687 -10.2967 -10.2967 -10.1609 -10.1609 -0.4030 -0.4030 -0.3530 -0.3530 1.7097 1.7097 1.7756 1.7756 1.8360 1.8360 5.6771 5.6771 8.7383 8.7383 12.2669 12.2669 12.7560 12.7560 13.4373 13.4373 15.2558 15.2558 16.9162 16.9162 k = 0.1250 0.5000 0.1250 ( 1806 PWs) bands (ev): -30.6580 -30.6580 -11.6674 -11.6674 -10.2963 -10.2963 -10.1573 -10.1573 -0.4034 -0.4034 -0.3523 -0.3523 1.7084 1.7084 1.7795 1.7795 1.8342 1.8342 5.6601 5.6601 8.6767 8.6767 12.3325 12.3325 12.7117 12.7117 13.3938 13.3938 15.3214 15.3214 16.9063 16.9063 k = 0.1167 0.5000 0.1167 ( 1810 PWs) bands (ev): -30.6584 -30.6584 -11.6662 -11.6662 -10.2958 -10.2958 -10.1538 -10.1538 -0.4039 -0.4039 -0.3517 -0.3517 1.7071 1.7071 1.7836 1.7836 1.8325 1.8325 5.6445 5.6445 8.6179 8.6179 12.3947 12.3947 12.6700 12.6700 13.3529 13.3529 15.3836 15.3836 16.8974 16.8974 k = 0.1083 0.5000 0.1083 ( 1810 PWs) bands (ev): -30.6588 -30.6588 -11.6651 -11.6651 -10.2954 -10.2954 -10.1505 -10.1505 -0.4043 -0.4043 -0.3510 -0.3510 1.7058 1.7058 1.7876 1.7876 1.8309 1.8309 5.6304 5.6304 8.5620 8.5620 12.4530 12.4530 12.6311 12.6311 13.3152 13.3152 15.4418 15.4418 16.8895 16.8895 k = 0.1000 0.5000 0.1000 ( 1810 PWs) bands (ev): -30.6592 -30.6592 -11.6640 -11.6640 -10.2950 -10.2950 -10.1475 -10.1475 -0.4047 -0.4047 -0.3502 -0.3502 1.7045 1.7045 1.7917 1.7917 1.8295 1.8295 5.6176 5.6176 8.5094 8.5094 12.5069 12.5069 12.5951 12.5951 13.2809 13.2809 15.4958 15.4958 16.8827 16.8827 k = 0.0917 0.5000 0.0917 ( 1810 PWs) bands (ev): -30.6596 -30.6596 -11.6630 -11.6630 -10.2947 -10.2947 -10.1446 -10.1446 -0.4051 -0.4051 -0.3495 -0.3495 1.7034 1.7034 1.7956 1.7956 1.8281 1.8281 5.6061 5.6061 8.4601 8.4601 12.5535 12.5535 12.5640 12.5640 13.2508 13.2508 15.5453 15.5453 16.8771 16.8771 k = 0.0833 0.5000 0.0833 ( 1822 PWs) bands (ev): -30.6599 -30.6599 -11.6622 -11.6622 -10.2943 -10.2943 -10.1420 -10.1420 -0.4055 -0.4055 -0.3488 -0.3488 1.7023 1.7023 1.7994 1.7994 1.8269 1.8269 5.5958 5.5958 8.4145 8.4145 12.5305 12.5305 12.5998 12.5998 13.2251 13.2251 15.5902 15.5902 16.8725 16.8725 k = 0.0750 0.5000 0.0750 ( 1822 PWs) bands (ev): -30.6602 -30.6602 -11.6613 -11.6613 -10.2940 -10.2940 -10.1396 -10.1396 -0.4058 -0.4058 -0.3481 -0.3481 1.7014 1.7014 1.8030 1.8030 1.8258 1.8258 5.5866 5.5866 8.3726 8.3726 12.5029 12.5029 12.6371 12.6371 13.2042 13.2042 15.6303 15.6303 16.8689 16.8689 k = 0.0667 0.5000 0.0667 ( 1822 PWs) bands (ev): -30.6605 -30.6605 -11.6606 -11.6606 -10.2938 -10.2938 -10.1375 -10.1375 -0.4060 -0.4060 -0.3475 -0.3475 1.7005 1.7005 1.8064 1.8064 1.8249 1.8249 5.5786 5.5786 8.3348 8.3348 12.4781 12.4781 12.6683 12.6683 13.1884 13.1884 15.6657 15.6657 16.8661 16.8661 k = 0.0583 0.5000 0.0583 ( 1826 PWs) bands (ev): -30.6608 -30.6608 -11.6600 -11.6600 -10.2935 -10.2935 -10.1355 -10.1355 -0.4063 -0.4063 -0.3468 -0.3468 1.6998 1.6998 1.8094 1.8094 1.8240 1.8240 5.5717 5.5717 8.3010 8.3010 12.4561 12.4561 12.6931 12.6931 13.1775 13.1775 15.6965 15.6965 16.8641 16.8641 k = 0.0500 0.5000 0.0500 ( 1828 PWs) bands (ev): -30.6610 -30.6610 -11.6594 -11.6594 -10.2933 -10.2933 -10.1339 -10.1339 -0.4065 -0.4065 -0.3463 -0.3463 1.6992 1.6992 1.8121 1.8121 1.8233 1.8233 5.5657 5.5657 8.2715 8.2715 12.4370 12.4370 12.7119 12.7119 13.1711 13.1711 15.7227 15.7227 16.8628 16.8628 k = 0.0417 0.5000 0.0417 ( 1820 PWs) bands (ev): -30.6612 -30.6612 -11.6590 -11.6590 -10.2932 -10.2932 -10.1324 -10.1324 -0.4067 -0.4067 -0.3458 -0.3458 1.6987 1.6987 1.8145 1.8145 1.8227 1.8227 5.5608 5.5608 8.2463 8.2463 12.4208 12.4208 12.7254 12.7254 13.1683 13.1683 15.7445 15.7445 16.8619 16.8619 k = 0.0333 0.5000 0.0333 ( 1820 PWs) bands (ev): -30.6613 -30.6613 -11.6586 -11.6586 -10.2930 -10.2930 -10.1313 -10.1313 -0.4069 -0.4069 -0.3454 -0.3454 1.6982 1.6982 1.8164 1.8164 1.8222 1.8222 5.5568 5.5568 8.2256 8.2256 12.4075 12.4075 12.7345 12.7345 13.1682 13.1682 15.7621 15.7621 16.8614 16.8614 k = 0.0250 0.5000 0.0250 ( 1820 PWs) bands (ev): -30.6614 -30.6614 -11.6583 -11.6583 -10.2929 -10.2929 -10.1303 -10.1303 -0.4070 -0.4070 -0.3450 -0.3450 1.6979 1.6979 1.8180 1.8180 1.8219 1.8219 5.5537 5.5537 8.2094 8.2094 12.3972 12.3972 12.7403 12.7403 13.1695 13.1695 15.7756 15.7756 16.8611 16.8611 k = 0.0167 0.5000 0.0167 ( 1820 PWs) bands (ev): -30.6615 -30.6615 -11.6581 -11.6581 -10.2928 -10.2928 -10.1297 -10.1297 -0.4071 -0.4071 -0.3448 -0.3448 1.6977 1.6977 1.8191 1.8191 1.8216 1.8216 5.5515 5.5515 8.1978 8.1978 12.3898 12.3898 12.7437 12.7437 13.1712 13.1712 15.7851 15.7851 16.8610 16.8610 k = 0.0083 0.5000 0.0083 ( 1824 PWs) bands (ev): -30.6616 -30.6616 -11.6579 -11.6579 -10.2928 -10.2928 -10.1293 -10.1293 -0.4071 -0.4071 -0.3447 -0.3447 1.6976 1.6976 1.8197 1.8197 1.8215 1.8215 5.5502 5.5502 8.1908 8.1908 12.3854 12.3854 12.7454 12.7454 13.1726 13.1726 15.7908 15.7908 16.8609 16.8609 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): -30.6616 -30.6616 -11.6579 -11.6579 -10.2928 -10.2928 -10.1292 -10.1292 -0.4072 -0.4072 -0.3446 -0.3446 1.6975 1.6975 1.8199 1.8199 1.8214 1.8214 5.5497 5.5497 8.1885 8.1885 12.3839 12.3839 12.7459 12.7459 13.1731 13.1731 15.7926 15.7926 16.8609 16.8609 k = 0.5000 0.5000-0.0000 ( 1772 PWs) bands (ev): -30.6492 -30.6492 -11.6953 -11.6953 -10.3423 -10.3423 -10.1757 -10.1757 -0.4181 -0.4181 -0.3750 -0.3750 1.6519 1.6519 1.7011 1.7011 1.9235 1.9235 6.0726 6.0726 10.5407 10.5407 11.1550 11.1550 12.2986 12.2986 14.7569 14.7569 14.7742 14.7742 16.5798 16.5798 k = 0.5000 0.5000 0.0119 ( 1772 PWs) bands (ev): -30.6492 -30.6492 -11.6954 -11.6954 -10.3423 -10.3423 -10.1760 -10.1760 -0.4180 -0.4180 -0.3750 -0.3750 1.6520 1.6520 1.7015 1.7015 1.9235 1.9235 6.0740 6.0740 10.5389 10.5389 11.1530 11.1530 12.3016 12.3016 14.7593 14.7593 14.7767 14.7767 16.5523 16.5523 k = 0.5000 0.5000 0.0238 ( 1796 PWs) bands (ev): -30.6492 -30.6492 -11.6956 -11.6956 -10.3423 -10.3423 -10.1766 -10.1766 -0.4177 -0.4177 -0.3748 -0.3748 1.6520 1.6520 1.7024 1.7024 1.9235 1.9235 6.0780 6.0780 10.5335 10.5335 11.1471 11.1471 12.3107 12.3107 14.7664 14.7664 14.7841 14.7841 16.4746 16.4746 k = 0.5000 0.5000 0.0357 ( 1796 PWs) bands (ev): -30.6491 -30.6491 -11.6958 -11.6958 -10.3421 -10.3421 -10.1777 -10.1777 -0.4170 -0.4170 -0.3745 -0.3745 1.6522 1.6522 1.7040 1.7040 1.9236 1.9236 6.0847 6.0847 10.5246 10.5246 11.1374 11.1374 12.3259 12.3259 14.7782 14.7782 14.7965 14.7965 16.3577 16.3577 k = 0.5000 0.5000 0.0476 ( 1804 PWs) bands (ev): -30.6490 -30.6490 -11.6962 -11.6962 -10.3419 -10.3419 -10.1793 -10.1793 -0.4161 -0.4161 -0.3740 -0.3740 1.6524 1.6524 1.7063 1.7063 1.9238 1.9238 6.0941 6.0941 10.5122 10.5122 11.1239 11.1239 12.3470 12.3470 14.7946 14.7946 14.8137 14.8137 16.2129 16.2129 k = 0.5000 0.5000 0.0595 ( 1804 PWs) bands (ev): -30.6488 -30.6488 -11.6967 -11.6967 -10.3417 -10.3417 -10.1812 -10.1812 -0.4149 -0.4149 -0.3735 -0.3735 1.6526 1.6526 1.7092 1.7092 1.9240 1.9240 6.1062 6.1062 10.4966 10.4966 11.1068 11.1068 12.3742 12.3742 14.8155 14.8155 14.8356 14.8356 16.0491 16.0491 k = 0.5000 0.5000 0.0714 ( 1796 PWs) bands (ev): -30.6486 -30.6486 -11.6972 -11.6972 -10.3414 -10.3414 -10.1835 -10.1835 -0.4134 -0.4134 -0.3728 -0.3728 1.6529 1.6529 1.7128 1.7128 1.9242 1.9242 6.1211 6.1211 10.4778 10.4778 11.0864 11.0864 12.4075 12.4075 14.8406 14.8406 14.8620 14.8620 15.8723 15.8723 k = 0.5000 0.5000 0.0833 ( 1796 PWs) bands (ev): -30.6484 -30.6484 -11.6979 -11.6979 -10.3411 -10.3411 -10.1862 -10.1862 -0.4118 -0.4118 -0.3719 -0.3719 1.6533 1.6533 1.7170 1.7170 1.9245 1.9245 6.1386 6.1386 10.4560 10.4560 11.0628 11.0628 12.4466 12.4466 14.8696 14.8696 14.8928 14.8928 15.6867 15.6867 k = 0.5000 0.5000 0.0952 ( 1796 PWs) bands (ev): -30.6482 -30.6482 -11.6986 -11.6986 -10.3407 -10.3407 -10.1893 -10.1893 -0.4099 -0.4099 -0.3710 -0.3710 1.6537 1.6537 1.7217 1.7217 1.9249 1.9249 6.1590 6.1590 10.4315 10.4315 11.0363 11.0363 12.4918 12.4918 14.9019 14.9019 14.9275 14.9275 15.4953 15.4953 k = 0.5000 0.5000 0.1071 ( 1800 PWs) bands (ev): -30.6479 -30.6479 -11.6995 -11.6995 -10.3402 -10.3402 -10.1928 -10.1928 -0.4078 -0.4078 -0.3700 -0.3700 1.6541 1.6541 1.7270 1.7270 1.9253 1.9253 6.1821 6.1821 10.4045 10.4045 11.0072 11.0072 12.5428 12.5428 14.9356 14.9356 14.9662 14.9662 15.3018 15.3018 k = 0.5000 0.5000 0.1190 ( 1800 PWs) bands (ev): -30.6476 -30.6476 -11.7004 -11.7004 -10.3397 -10.3397 -10.1966 -10.1966 -0.4055 -0.4055 -0.3689 -0.3689 1.6546 1.6546 1.7328 1.7328 1.9257 1.9257 6.2080 6.2080 10.3752 10.3752 10.9758 10.9758 12.5997 12.5997 14.9584 14.9584 15.0084 15.0084 15.1195 15.1195 k = 0.5000 0.5000 0.1310 ( 1800 PWs) bands (ev): -30.6473 -30.6473 -11.7014 -11.7014 -10.3392 -10.3392 -10.2006 -10.2006 -0.4030 -0.4030 -0.3677 -0.3677 1.6551 1.6551 1.7392 1.7392 1.9262 1.9262 6.2367 6.2367 10.3438 10.3438 10.9423 10.9423 12.6624 12.6624 14.8631 14.8631 15.0540 15.0540 15.0565 15.0565 k = 0.5000 0.5000 0.1429 ( 1800 PWs) bands (ev): -30.6469 -30.6469 -11.7025 -11.7025 -10.3387 -10.3387 -10.2050 -10.2050 -0.4004 -0.4004 -0.3664 -0.3664 1.6556 1.6556 1.7460 1.7460 1.9267 1.9267 6.2682 6.2682 10.3107 10.3107 10.9070 10.9070 12.7309 12.7309 14.6716 14.6716 15.0916 15.0916 15.1027 15.1027 k = 0.5000 0.5000 0.1548 ( 1800 PWs) bands (ev): -30.6465 -30.6465 -11.7037 -11.7037 -10.3381 -10.3381 -10.2096 -10.2096 -0.3976 -0.3976 -0.3650 -0.3650 1.6561 1.6561 1.7533 1.7533 1.9273 1.9273 6.3026 6.3026 10.2760 10.2760 10.8703 10.8703 12.8051 12.8051 14.4694 14.4694 15.1394 15.1394 15.1542 15.1542 k = 0.5000 0.5000 0.1667 ( 1816 PWs) bands (ev): -30.6462 -30.6462 -11.7050 -11.7050 -10.3375 -10.3375 -10.2144 -10.2144 -0.3947 -0.3947 -0.3636 -0.3636 1.6566 1.6566 1.7609 1.7609 1.9279 1.9279 6.3399 6.3399 10.2400 10.2400 10.8323 10.8323 12.8850 12.8850 14.2649 14.2649 15.1921 15.1921 15.2082 15.2082 k = 0.5000 0.5000 0.1786 ( 1808 PWs) bands (ev): -30.6457 -30.6457 -11.7063 -11.7063 -10.3368 -10.3368 -10.2194 -10.2194 -0.3917 -0.3917 -0.3621 -0.3621 1.6572 1.6572 1.7690 1.7690 1.9286 1.9286 6.3801 6.3801 10.2029 10.2029 10.7935 10.7935 12.9704 12.9704 14.0599 14.0599 15.2481 15.2481 15.2646 15.2646 k = 0.5000 0.5000 0.1905 ( 1808 PWs) bands (ev): -30.6453 -30.6453 -11.7077 -11.7077 -10.3361 -10.3361 -10.2246 -10.2246 -0.3886 -0.3886 -0.3606 -0.3606 1.6577 1.6577 1.7773 1.7773 1.9293 1.9293 6.4232 6.4232 10.1651 10.1651 10.7539 10.7539 13.0614 13.0614 13.8552 13.8552 15.3068 15.3068 15.3230 15.3230 k = 0.5000 0.5000 0.2024 ( 1808 PWs) bands (ev): -30.6449 -30.6449 -11.7091 -11.7091 -10.3355 -10.3355 -10.2299 -10.2299 -0.3855 -0.3855 -0.3591 -0.3591 1.6582 1.6582 1.7859 1.7859 1.9301 1.9301 6.4693 6.4693 10.1266 10.1266 10.7140 10.7140 13.1578 13.1578 13.6511 13.6511 15.3679 15.3679 15.3833 15.3833 k = 0.5000 0.5000 0.2143 ( 1808 PWs) bands (ev): -30.6444 -30.6444 -11.7106 -11.7106 -10.3347 -10.3347 -10.2353 -10.2353 -0.3823 -0.3823 -0.3575 -0.3575 1.6587 1.6587 1.7948 1.7948 1.9309 1.9309 6.5183 6.5183 10.0878 10.0878 10.6739 10.6739 13.2595 13.2595 13.4483 13.4483 15.4309 15.4309 15.4451 15.4451 k = 0.5000 0.5000 0.2262 ( 1808 PWs) bands (ev): -30.6440 -30.6440 -11.7121 -11.7121 -10.3340 -10.3340 -10.2408 -10.2408 -0.3791 -0.3791 -0.3559 -0.3559 1.6592 1.6592 1.8038 1.8038 1.9317 1.9317 6.5703 6.5703 10.0488 10.0488 10.6339 10.6339 13.2469 13.2469 13.3665 13.3665 15.4958 15.4958 15.5083 15.5083 k = 0.5000 0.5000 0.2381 ( 1800 PWs) bands (ev): -30.6435 -30.6435 -11.7136 -11.7136 -10.3333 -10.3333 -10.2463 -10.2463 -0.3758 -0.3758 -0.3543 -0.3543 1.6597 1.6597 1.8129 1.8129 1.9326 1.9326 6.6252 6.6252 10.0098 10.0098 10.5942 10.5942 13.0474 13.0474 13.4787 13.4787 15.5621 15.5621 15.5725 15.5725 k = 0.5000 0.5000 0.2500 ( 1800 PWs) bands (ev): -30.6430 -30.6430 -11.7152 -11.7152 -10.3325 -10.3325 -10.2518 -10.2518 -0.3726 -0.3726 -0.3527 -0.3527 1.6602 1.6602 1.8222 1.8222 1.9335 1.9335 6.6832 6.6832 9.9710 9.9710 10.5549 10.5549 12.8500 12.8500 13.5959 13.5959 15.6297 15.6297 15.6375 15.6375 k = 0.5000 0.5000 0.2619 ( 1800 PWs) bands (ev): -30.6426 -30.6426 -11.7168 -11.7168 -10.3318 -10.3318 -10.2573 -10.2573 -0.3694 -0.3694 -0.3511 -0.3511 1.6606 1.6606 1.8314 1.8314 1.9344 1.9344 6.7440 6.7440 9.9326 9.9326 10.5163 10.5163 12.6550 12.6550 13.7180 13.7180 15.6982 15.6982 15.7031 15.7031 k = 0.5000 0.5000 0.2738 ( 1796 PWs) bands (ev): -30.6421 -30.6421 -11.7184 -11.7184 -10.3311 -10.3311 -10.2627 -10.2627 -0.3663 -0.3663 -0.3495 -0.3495 1.6610 1.6610 1.8406 1.8406 1.9353 1.9353 6.8078 6.8078 9.8946 9.8946 10.4785 10.4785 12.4627 12.4627 13.8450 13.8450 15.7675 15.7675 15.7689 15.7689 k = 0.5000 0.5000 0.2857 ( 1800 PWs) bands (ev): -30.6417 -30.6417 -11.7200 -11.7200 -10.3304 -10.3304 -10.2680 -10.2680 -0.3632 -0.3632 -0.3480 -0.3480 1.6614 1.6614 1.8498 1.8498 1.9363 1.9363 6.8745 6.8745 9.8572 9.8572 10.4418 10.4418 12.2733 12.2733 13.9765 13.9765 15.8348 15.8348 15.8372 15.8372 k = 0.5000 0.5000 0.2976 ( 1800 PWs) bands (ev): -30.6412 -30.6412 -11.7215 -11.7215 -10.3296 -10.3296 -10.2732 -10.2732 -0.3602 -0.3602 -0.3465 -0.3465 1.6617 1.6617 1.8588 1.8588 1.9372 1.9372 6.9440 6.9440 9.8206 9.8206 10.4062 10.4062 12.0873 12.0873 14.1126 14.1126 15.9004 15.9004 15.9070 15.9070 k = 0.5000 0.5000 0.3095 ( 1812 PWs) bands (ev): -30.6408 -30.6408 -11.7231 -11.7231 -10.3290 -10.3290 -10.2783 -10.2783 -0.3573 -0.3573 -0.3451 -0.3451 1.6620 1.6620 1.8675 1.8675 1.9382 1.9382 7.0162 7.0162 9.7847 9.7847 10.3720 10.3720 11.9049 11.9049 14.2530 14.2530 15.9653 15.9653 15.9767 15.9767 k = 0.5000 0.5000 0.3214 ( 1812 PWs) bands (ev): -30.6404 -30.6404 -11.7246 -11.7246 -10.3283 -10.3283 -10.2832 -10.2832 -0.3546 -0.3546 -0.3436 -0.3436 1.6623 1.6623 1.8761 1.8761 1.9391 1.9391 7.0910 7.0910 9.7496 9.7496 10.3392 10.3392 11.7265 11.7265 14.3975 14.3975 16.0294 16.0294 16.0458 16.0458 k = 0.5000 0.5000 0.3333 ( 1812 PWs) bands (ev): -30.6399 -30.6399 -11.7261 -11.7261 -10.3276 -10.3276 -10.2879 -10.2879 -0.3519 -0.3519 -0.3423 -0.3423 1.6625 1.6625 1.8844 1.8844 1.9400 1.9400 7.1683 7.1683 9.7154 9.7154 10.3080 10.3080 11.5525 11.5525 14.5459 14.5459 16.0922 16.0922 16.1141 16.1141 k = 0.5000 0.5000 0.3452 ( 1820 PWs) bands (ev): -30.6396 -30.6396 -11.7275 -11.7275 -10.3270 -10.3270 -10.2924 -10.2924 -0.3494 -0.3494 -0.3410 -0.3410 1.6628 1.6628 1.8923 1.8923 1.9409 1.9409 7.2479 7.2479 9.6819 9.6819 10.2784 10.2784 11.3834 11.3834 14.6980 14.6980 16.1534 16.1534 16.1811 16.1811 k = 0.5000 0.5000 0.3571 ( 1820 PWs) bands (ev): -30.6392 -30.6392 -11.7289 -11.7289 -10.3264 -10.3264 -10.2966 -10.2966 -0.3470 -0.3470 -0.3398 -0.3398 1.6630 1.6630 1.8999 1.8999 1.9417 1.9417 7.3295 7.3295 9.6492 9.6492 10.2507 10.2507 11.2197 11.2197 14.8535 14.8535 16.2126 16.2126 16.2464 16.2464 k = 0.5000 0.5000 0.3690 ( 1820 PWs) bands (ev): -30.6388 -30.6388 -11.7302 -11.7302 -10.3259 -10.3259 -10.3006 -10.3006 -0.3447 -0.3447 -0.3387 -0.3387 1.6631 1.6631 1.9070 1.9070 1.9426 1.9426 7.4127 7.4127 9.6170 9.6170 10.2248 10.2248 11.0623 11.0623 15.0121 15.0121 16.2694 16.2694 16.3096 16.3096 k = 0.5000 0.5000 0.3810 ( 1820 PWs) bands (ev): -30.6385 -30.6385 -11.7314 -11.7314 -10.3253 -10.3253 -10.3043 -10.3043 -0.3427 -0.3427 -0.3376 -0.3376 1.6633 1.6633 1.9137 1.9137 1.9433 1.9433 7.4972 7.4972 9.5852 9.5852 10.2009 10.2009 10.9118 10.9118 15.1735 15.1735 16.3234 16.3234 16.3700 16.3700 k = 0.5000 0.5000 0.3929 ( 1820 PWs) bands (ev): -30.6382 -30.6382 -11.7326 -11.7326 -10.3249 -10.3249 -10.3077 -10.3077 -0.3408 -0.3408 -0.3367 -0.3367 1.6634 1.6634 1.9198 1.9198 1.9441 1.9441 7.5824 7.5824 9.5535 9.5535 10.1790 10.1790 10.7694 10.7694 15.3371 15.3371 16.3742 16.3742 16.4273 16.4273 k = 0.5000 0.5000 0.4048 ( 1820 PWs) bands (ev): -30.6379 -30.6379 -11.7336 -11.7336 -10.3244 -10.3244 -10.3108 -10.3108 -0.3390 -0.3390 -0.3358 -0.3358 1.6635 1.6635 1.9255 1.9255 1.9447 1.9447 7.6674 7.6674 9.5215 9.5215 10.1593 10.1593 10.6362 10.6362 15.5025 15.5025 16.4214 16.4214 16.4808 16.4808 k = 0.5000 0.5000 0.4167 ( 1820 PWs) bands (ev): -30.6377 -30.6377 -11.7345 -11.7345 -10.3240 -10.3240 -10.3135 -10.3135 -0.3375 -0.3375 -0.3350 -0.3350 1.6636 1.6636 1.9305 1.9305 1.9453 1.9453 7.7512 7.7512 9.4891 9.4891 10.1417 10.1417 10.5138 10.5138 15.6689 15.6689 16.4645 16.4645 16.5300 16.5300 k = 0.5000 0.5000 0.4286 ( 1828 PWs) bands (ev): -30.6375 -30.6375 -11.7354 -11.7354 -10.3237 -10.3237 -10.3159 -10.3159 -0.3362 -0.3362 -0.3344 -0.3344 1.6637 1.6637 1.9349 1.9349 1.9458 1.9458 7.8326 7.8326 9.4560 9.4560 10.1264 10.1264 10.4039 10.4039 15.8355 15.8355 16.5033 16.5033 16.5742 16.5742 k = 0.5000 0.5000 0.4405 ( 1828 PWs) bands (ev): -30.6373 -30.6373 -11.7361 -11.7361 -10.3234 -10.3234 -10.3180 -10.3180 -0.3350 -0.3350 -0.3338 -0.3338 1.6638 1.6638 1.9387 1.9387 1.9463 1.9463 7.9096 7.9096 9.4225 9.4225 10.1134 10.1134 10.3080 10.3080 16.0010 16.0010 16.5375 16.5375 16.6129 16.6129 k = 0.5000 0.5000 0.4524 ( 1836 PWs) bands (ev): -30.6371 -30.6371 -11.7367 -11.7367 -10.3232 -10.3232 -10.3197 -10.3197 -0.3341 -0.3341 -0.3333 -0.3333 1.6638 1.6638 1.9418 1.9418 1.9467 1.9467 7.9798 7.9798 9.3893 9.3893 10.1026 10.1026 10.2279 10.2279 16.1633 16.1633 16.5672 16.5672 16.6455 16.6455 k = 0.5000 0.5000 0.4643 ( 1852 PWs) bands (ev): -30.6370 -30.6370 -11.7371 -11.7371 -10.3230 -10.3230 -10.3210 -10.3210 -0.3334 -0.3334 -0.3330 -0.3330 1.6638 1.6638 1.9442 1.9442 1.9470 1.9470 8.0403 8.0403 9.3583 9.3583 10.0942 10.0942 10.1648 10.1648 16.3182 16.3182 16.5936 16.5936 16.6715 16.6715 k = 0.5000 0.5000 0.4762 ( 1856 PWs) bands (ev): -30.6369 -30.6369 -11.7375 -11.7375 -10.3229 -10.3229 -10.3220 -10.3220 -0.3329 -0.3329 -0.3327 -0.3327 1.6639 1.6639 1.9459 1.9459 1.9472 1.9472 8.0874 8.0874 9.3324 9.3324 10.0882 10.0882 10.1196 10.1196 16.4546 16.4546 16.6221 16.6221 16.6904 16.6904 k = 0.5000 0.5000 0.4881 ( 1856 PWs) bands (ev): -30.6369 -30.6369 -11.7377 -11.7377 -10.3228 -10.3228 -10.3226 -10.3226 -0.3326 -0.3326 -0.3325 -0.3325 1.6639 1.6639 1.9470 1.9470 1.9473 1.9473 8.1177 8.1177 9.3149 9.3149 10.0846 10.0846 10.0925 10.0925 16.5414 16.5414 16.6689 16.6689 16.7019 16.7019 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): -30.6369 -30.6369 -11.7377 -11.7377 -10.3227 -10.3227 -10.3227 -10.3227 -0.3325 -0.3325 -0.3325 -0.3325 1.6639 1.6639 1.9473 1.9473 1.9473 1.9473 8.1281 8.1281 9.3087 9.3087 10.0834 10.0834 10.0834 10.0834 16.5639 16.5639 16.7057 16.7057 16.7057 16.7057 Writing output data file YTl.save init_run : 0.48s CPU 0.60s WALL ( 1 calls) electrons : 39.87s CPU 41.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 39.86s CPU 41.28s 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 : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.02s WALL ( 325 calls) cegterg : 36.08s CPU 36.89s WALL ( 370 calls) Called by sum_band: Called by *egterg: h_psi : 16.30s CPU 16.79s WALL ( 5842 calls) s_psi : 1.00s CPU 0.96s WALL ( 5842 calls) g_psi : 0.07s CPU 0.05s WALL ( 5147 calls) cdiaghg : 18.07s CPU 18.63s WALL ( 5472 calls) cegterg:over : 1.26s CPU 1.28s WALL ( 5147 calls) cegterg:upda : 0.84s CPU 0.90s WALL ( 5147 calls) cegterg:last : 0.52s CPU 0.56s WALL ( 1020 calls) cdiaghg:chol : 0.84s CPU 0.93s WALL ( 5472 calls) cdiaghg:inve : 0.40s CPU 0.41s WALL ( 5472 calls) cdiaghg:para : 1.19s CPU 1.11s WALL ( 10944 calls) Called by h_psi: h_psi:vloc : 14.04s CPU 14.43s WALL ( 5842 calls) h_psi:vnl : 2.24s CPU 2.33s WALL ( 5842 calls) add_vuspsi : 1.20s CPU 1.27s WALL ( 5842 calls) General routines calbec : 1.01s CPU 1.05s WALL ( 5842 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.90s CPU 13.30s WALL ( 410632 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.14s WALL ( 650 calls) Parallel routines fft_scatter : 8.01s CPU 8.30s WALL ( 410655 calls) PWSCF : 0m48.15s CPU 1m42.62s WALL This run was terminated on: 21:19:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=