Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3:12 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: ./ZrOs.save/ 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 22 18 5 486 354 61 Max 23 19 6 491 367 66 Sum 821 665 213 17557 12965 2301 bravais-lattice index = 14 lattice parameter (alat) = 6.1662 a.u. unit-cell volume = 234.4486 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 270.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.166176 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Os read from file: /users/gautes/Pseudo/Os.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 1bcb72221b6b17e70f20dab4cda9aff7 Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1275 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 Zr 4.00 91.22400 Zr( 1.00) Os 16.00 190.23000 Os( 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= 375 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0000000 0.0102041 -0.0000000), wk = 0.0026667 k( 3) = ( 0.0000000 0.0204082 -0.0000000), wk = 0.0026667 k( 4) = ( 0.0000000 0.0306122 -0.0000000), wk = 0.0026667 k( 5) = ( 0.0000000 0.0408163 -0.0000000), wk = 0.0026667 k( 6) = ( 0.0000000 0.0510204 -0.0000000), wk = 0.0026667 k( 7) = ( 0.0000000 0.0612245 -0.0000000), wk = 0.0026667 k( 8) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0026667 k( 9) = ( 0.0000000 0.0816327 -0.0000000), wk = 0.0026667 k( 10) = ( 0.0000000 0.0918367 -0.0000000), wk = 0.0026667 k( 11) = ( 0.0000000 0.1020408 -0.0000000), wk = 0.0026667 k( 12) = ( 0.0000000 0.1122449 -0.0000000), wk = 0.0026667 k( 13) = ( 0.0000000 0.1224490 -0.0000000), wk = 0.0026667 k( 14) = ( 0.0000000 0.1326531 -0.0000000), wk = 0.0026667 k( 15) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0026667 k( 16) = ( 0.0000000 0.1530612 -0.0000000), wk = 0.0026667 k( 17) = ( 0.0000000 0.1632653 -0.0000000), wk = 0.0026667 k( 18) = ( 0.0000000 0.1734694 -0.0000000), wk = 0.0026667 k( 19) = ( 0.0000000 0.1836735 -0.0000000), wk = 0.0026667 k( 20) = ( 0.0000000 0.1938776 -0.0000000), wk = 0.0026667 k( 21) = ( 0.0000000 0.2040816 -0.0000000), wk = 0.0026667 k( 22) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0026667 k( 23) = ( 0.0000000 0.2244898 -0.0000000), wk = 0.0026667 k( 24) = ( 0.0000000 0.2346939 -0.0000000), wk = 0.0026667 k( 25) = ( 0.0000000 0.2448980 -0.0000000), wk = 0.0026667 k( 26) = ( 0.0000000 0.2551020 -0.0000000), wk = 0.0026667 k( 27) = ( 0.0000000 0.2653061 -0.0000000), wk = 0.0026667 k( 28) = ( 0.0000000 0.2755102 -0.0000000), wk = 0.0026667 k( 29) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0026667 k( 30) = ( 0.0000000 0.2959184 -0.0000000), wk = 0.0026667 k( 31) = ( 0.0000000 0.3061224 -0.0000000), wk = 0.0026667 k( 32) = ( 0.0000000 0.3163265 -0.0000000), wk = 0.0026667 k( 33) = ( 0.0000000 0.3265306 -0.0000000), wk = 0.0026667 k( 34) = ( 0.0000000 0.3367347 -0.0000000), wk = 0.0026667 k( 35) = ( 0.0000000 0.3469388 -0.0000000), wk = 0.0026667 k( 36) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0026667 k( 37) = ( 0.0000000 0.3673469 -0.0000000), wk = 0.0026667 k( 38) = ( 0.0000000 0.3775510 -0.0000000), wk = 0.0026667 k( 39) = ( 0.0000000 0.3877551 -0.0000000), wk = 0.0026667 k( 40) = ( 0.0000000 0.3979592 -0.0000000), wk = 0.0026667 k( 41) = ( 0.0000000 0.4081633 -0.0000000), wk = 0.0026667 k( 42) = ( 0.0000000 0.4183674 -0.0000000), wk = 0.0026667 k( 43) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0026667 k( 44) = ( 0.0000000 0.4387755 -0.0000000), wk = 0.0026667 k( 45) = ( 0.0000000 0.4489796 -0.0000000), wk = 0.0026667 k( 46) = ( 0.0000000 0.4591837 -0.0000000), wk = 0.0026667 k( 47) = ( 0.0000000 0.4693878 -0.0000000), wk = 0.0026667 k( 48) = ( 0.0000000 0.4795918 -0.0000000), wk = 0.0026667 k( 49) = ( 0.0000000 0.4897959 -0.0000000), wk = 0.0026667 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026667 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026667 k( 52) = ( 0.0102041 0.5000000 -0.0000000), wk = 0.0026667 k( 53) = ( 0.0204082 0.5000000 -0.0000000), wk = 0.0026667 k( 54) = ( 0.0306122 0.5000000 -0.0000000), wk = 0.0026667 k( 55) = ( 0.0408163 0.5000000 -0.0000000), wk = 0.0026667 k( 56) = ( 0.0510204 0.5000000 -0.0000000), wk = 0.0026667 k( 57) = ( 0.0612245 0.5000000 -0.0000000), wk = 0.0026667 k( 58) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0026667 k( 59) = ( 0.0816327 0.5000000 -0.0000000), wk = 0.0026667 k( 60) = ( 0.0918367 0.5000000 -0.0000000), wk = 0.0026667 k( 61) = ( 0.1020408 0.5000000 -0.0000000), wk = 0.0026667 k( 62) = ( 0.1122449 0.5000000 -0.0000000), wk = 0.0026667 k( 63) = ( 0.1224490 0.5000000 -0.0000000), wk = 0.0026667 k( 64) = ( 0.1326531 0.5000000 -0.0000000), wk = 0.0026667 k( 65) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0026667 k( 66) = ( 0.1530612 0.5000000 -0.0000000), wk = 0.0026667 k( 67) = ( 0.1632653 0.5000000 -0.0000000), wk = 0.0026667 k( 68) = ( 0.1734694 0.5000000 -0.0000000), wk = 0.0026667 k( 69) = ( 0.1836735 0.5000000 -0.0000000), wk = 0.0026667 k( 70) = ( 0.1938776 0.5000000 -0.0000000), wk = 0.0026667 k( 71) = ( 0.2040816 0.5000000 -0.0000000), wk = 0.0026667 k( 72) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026667 k( 73) = ( 0.2244898 0.5000000 -0.0000000), wk = 0.0026667 k( 74) = ( 0.2346939 0.5000000 -0.0000000), wk = 0.0026667 k( 75) = ( 0.2448980 0.5000000 -0.0000000), wk = 0.0026667 k( 76) = ( 0.2551020 0.5000000 -0.0000000), wk = 0.0026667 k( 77) = ( 0.2653061 0.5000000 -0.0000000), wk = 0.0026667 k( 78) = ( 0.2755102 0.5000000 -0.0000000), wk = 0.0026667 k( 79) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026667 k( 80) = ( 0.2959184 0.5000000 -0.0000000), wk = 0.0026667 k( 81) = ( 0.3061224 0.5000000 -0.0000000), wk = 0.0026667 k( 82) = ( 0.3163265 0.5000000 -0.0000000), wk = 0.0026667 k( 83) = ( 0.3265306 0.5000000 -0.0000000), wk = 0.0026667 k( 84) = ( 0.3367347 0.5000000 -0.0000000), wk = 0.0026667 k( 85) = ( 0.3469388 0.5000000 -0.0000000), wk = 0.0026667 k( 86) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0026667 k( 87) = ( 0.3673469 0.5000000 -0.0000000), wk = 0.0026667 k( 88) = ( 0.3775510 0.5000000 -0.0000000), wk = 0.0026667 k( 89) = ( 0.3877551 0.5000000 -0.0000000), wk = 0.0026667 k( 90) = ( 0.3979592 0.5000000 -0.0000000), wk = 0.0026667 k( 91) = ( 0.4081633 0.5000000 -0.0000000), wk = 0.0026667 k( 92) = ( 0.4183674 0.5000000 -0.0000000), wk = 0.0026667 k( 93) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0026667 k( 94) = ( 0.4387755 0.5000000 -0.0000000), wk = 0.0026667 k( 95) = ( 0.4489796 0.5000000 -0.0000000), wk = 0.0026667 k( 96) = ( 0.4591837 0.5000000 -0.0000000), wk = 0.0026667 k( 97) = ( 0.4693878 0.5000000 -0.0000000), wk = 0.0026667 k( 98) = ( 0.4795918 0.5000000 -0.0000000), wk = 0.0026667 k( 99) = ( 0.4897959 0.5000000 -0.0000000), wk = 0.0026667 k( 100) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 101) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 102) = ( 0.4927536 0.4927536 -0.0000000), wk = 0.0026667 k( 103) = ( 0.4855073 0.4855072 -0.0000000), wk = 0.0026667 k( 104) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0026667 k( 105) = ( 0.4710145 0.4710145 -0.0000000), wk = 0.0026667 k( 106) = ( 0.4637681 0.4637681 -0.0000000), wk = 0.0026667 k( 107) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0026667 k( 108) = ( 0.4492754 0.4492754 -0.0000000), wk = 0.0026667 k( 109) = ( 0.4420290 0.4420290 -0.0000000), wk = 0.0026667 k( 110) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0026667 k( 111) = ( 0.4275362 0.4275362 -0.0000000), wk = 0.0026667 k( 112) = ( 0.4202899 0.4202899 -0.0000000), wk = 0.0026667 k( 113) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0026667 k( 114) = ( 0.4057971 0.4057971 -0.0000000), wk = 0.0026667 k( 115) = ( 0.3985507 0.3985507 -0.0000000), wk = 0.0026667 k( 116) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0026667 k( 117) = ( 0.3840580 0.3840580 -0.0000000), wk = 0.0026667 k( 118) = ( 0.3768116 0.3768116 -0.0000000), wk = 0.0026667 k( 119) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0026667 k( 120) = ( 0.3623188 0.3623188 -0.0000000), wk = 0.0026667 k( 121) = ( 0.3550725 0.3550725 -0.0000000), wk = 0.0026667 k( 122) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0026667 k( 123) = ( 0.3405797 0.3405797 -0.0000000), wk = 0.0026667 k( 124) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026667 k( 125) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0026667 k( 126) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0026667 k( 127) = ( 0.3115942 0.3115942 -0.0000000), wk = 0.0026667 k( 128) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0026667 k( 129) = ( 0.2971014 0.2971014 -0.0000000), wk = 0.0026667 k( 130) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0026667 k( 131) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0026667 k( 132) = ( 0.2753623 0.2753623 -0.0000000), wk = 0.0026667 k( 133) = ( 0.2681159 0.2681159 -0.0000000), wk = 0.0026667 k( 134) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0026667 k( 135) = ( 0.2536232 0.2536232 -0.0000000), wk = 0.0026667 k( 136) = ( 0.2463768 0.2463768 -0.0000000), wk = 0.0026667 k( 137) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0026667 k( 138) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0026667 k( 139) = ( 0.2246377 0.2246377 -0.0000000), wk = 0.0026667 k( 140) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0026667 k( 141) = ( 0.2101449 0.2101449 -0.0000000), wk = 0.0026667 k( 142) = ( 0.2028986 0.2028985 -0.0000000), wk = 0.0026667 k( 143) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0026667 k( 144) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0026667 k( 145) = ( 0.1811594 0.1811594 -0.0000000), wk = 0.0026667 k( 146) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0026667 k( 147) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026667 k( 148) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0026667 k( 149) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0026667 k( 150) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0026667 k( 151) = ( 0.1376812 0.1376812 -0.0000000), wk = 0.0026667 k( 152) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0026667 k( 153) = ( 0.1231884 0.1231884 -0.0000000), wk = 0.0026667 k( 154) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0026667 k( 155) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0026667 k( 156) = ( 0.1014493 0.1014493 -0.0000000), wk = 0.0026667 k( 157) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0026667 k( 158) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0026667 k( 159) = ( 0.0797101 0.0797101 -0.0000000), wk = 0.0026667 k( 160) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0026667 k( 161) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0026667 k( 162) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0026667 k( 163) = ( 0.0507246 0.0507246 -0.0000000), wk = 0.0026667 k( 164) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0026667 k( 165) = ( 0.0362319 0.0362319 -0.0000000), wk = 0.0026667 k( 166) = ( 0.0289855 0.0289855 -0.0000000), wk = 0.0026667 k( 167) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0026667 k( 168) = ( 0.0144928 0.0144927 -0.0000000), wk = 0.0026667 k( 169) = ( 0.0072464 0.0072464 -0.0000000), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 172) = ( 0.0059524 0.0059524 0.0059524), wk = 0.0026667 k( 173) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0026667 k( 174) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0026667 k( 175) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0026667 k( 176) = ( 0.0297619 0.0297619 0.0297619), wk = 0.0026667 k( 177) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0026667 k( 178) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0026667 k( 179) = ( 0.0476191 0.0476190 0.0476190), wk = 0.0026667 k( 180) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0026667 k( 181) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0026667 k( 182) = ( 0.0654762 0.0654762 0.0654762), wk = 0.0026667 k( 183) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0026667 k( 184) = ( 0.0773810 0.0773809 0.0773809), wk = 0.0026667 k( 185) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0026667 k( 186) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0026667 k( 187) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0026667 k( 188) = ( 0.1011905 0.1011905 0.1011905), wk = 0.0026667 k( 189) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0026667 k( 190) = ( 0.1130952 0.1130952 0.1130952), wk = 0.0026667 k( 191) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0026667 k( 192) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0026667 k( 193) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0026667 k( 194) = ( 0.1369048 0.1369048 0.1369048), wk = 0.0026667 k( 195) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0026667 k( 196) = ( 0.1488095 0.1488095 0.1488095), wk = 0.0026667 k( 197) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0026667 k( 198) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0026667 k( 199) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0026667 k( 200) = ( 0.1726190 0.1726190 0.1726190), wk = 0.0026667 k( 201) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0026667 k( 202) = ( 0.1845238 0.1845238 0.1845238), wk = 0.0026667 k( 203) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0026667 k( 204) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0026667 k( 205) = ( 0.2023810 0.2023809 0.2023809), wk = 0.0026667 k( 206) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0026667 k( 207) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0026667 k( 208) = ( 0.2202381 0.2202381 0.2202381), wk = 0.0026667 k( 209) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0026667 k( 210) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0026667 k( 211) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0026667 k( 212) = ( 0.2440476 0.2440476 0.2440476), wk = 0.0026667 k( 213) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026667 k( 214) = ( 0.2559524 0.2559524 0.2559524), wk = 0.0026667 k( 215) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0026667 k( 216) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0026667 k( 217) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0026667 k( 218) = ( 0.2797619 0.2797619 0.2797619), wk = 0.0026667 k( 219) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0026667 k( 220) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0026667 k( 221) = ( 0.2976190 0.2976190 0.2976190), wk = 0.0026667 k( 222) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0026667 k( 223) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0026667 k( 224) = ( 0.3154762 0.3154762 0.3154762), wk = 0.0026667 k( 225) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0026667 k( 226) = ( 0.3273810 0.3273809 0.3273809), wk = 0.0026667 k( 227) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0026667 k( 228) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0026667 k( 229) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0026667 k( 230) = ( 0.3511905 0.3511905 0.3511905), wk = 0.0026667 k( 231) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0026667 k( 232) = ( 0.3630952 0.3630952 0.3630952), wk = 0.0026667 k( 233) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0026667 k( 234) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0026667 k( 235) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0026667 k( 236) = ( 0.3869048 0.3869048 0.3869048), wk = 0.0026667 k( 237) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0026667 k( 238) = ( 0.3988095 0.3988095 0.3988095), wk = 0.0026667 k( 239) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0026667 k( 240) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0026667 k( 241) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0026667 k( 242) = ( 0.4226190 0.4226190 0.4226190), wk = 0.0026667 k( 243) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0026667 k( 244) = ( 0.4345238 0.4345238 0.4345238), wk = 0.0026667 k( 245) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0026667 k( 246) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0026667 k( 247) = ( 0.4523810 0.4523809 0.4523809), wk = 0.0026667 k( 248) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0026667 k( 249) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0026667 k( 250) = ( 0.4702381 0.4702381 0.4702381), wk = 0.0026667 k( 251) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0026667 k( 252) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0026667 k( 253) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0026667 k( 254) = ( 0.4940476 0.4940476 0.4940476), wk = 0.0026667 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 257) = ( 0.4927536 0.5000000 0.4927536), wk = 0.0026667 k( 258) = ( 0.4855073 0.5000000 0.4855072), wk = 0.0026667 k( 259) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0026667 k( 260) = ( 0.4710145 0.5000000 0.4710145), wk = 0.0026667 k( 261) = ( 0.4637681 0.5000000 0.4637681), wk = 0.0026667 k( 262) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0026667 k( 263) = ( 0.4492754 0.5000000 0.4492754), wk = 0.0026667 k( 264) = ( 0.4420290 0.5000000 0.4420290), wk = 0.0026667 k( 265) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0026667 k( 266) = ( 0.4275362 0.5000000 0.4275362), wk = 0.0026667 k( 267) = ( 0.4202899 0.5000000 0.4202899), wk = 0.0026667 k( 268) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0026667 k( 269) = ( 0.4057971 0.5000000 0.4057971), wk = 0.0026667 k( 270) = ( 0.3985507 0.5000000 0.3985507), wk = 0.0026667 k( 271) = ( 0.3913044 0.5000000 0.3913043), wk = 0.0026667 k( 272) = ( 0.3840580 0.5000000 0.3840580), wk = 0.0026667 k( 273) = ( 0.3768116 0.5000000 0.3768116), wk = 0.0026667 k( 274) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0026667 k( 275) = ( 0.3623188 0.5000000 0.3623188), wk = 0.0026667 k( 276) = ( 0.3550725 0.5000000 0.3550725), wk = 0.0026667 k( 277) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0026667 k( 278) = ( 0.3405797 0.5000000 0.3405797), wk = 0.0026667 k( 279) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0026667 k( 280) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0026667 k( 281) = ( 0.3188406 0.5000000 0.3188406), wk = 0.0026667 k( 282) = ( 0.3115942 0.5000000 0.3115942), wk = 0.0026667 k( 283) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0026667 k( 284) = ( 0.2971014 0.5000000 0.2971014), wk = 0.0026667 k( 285) = ( 0.2898551 0.5000000 0.2898551), wk = 0.0026667 k( 286) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0026667 k( 287) = ( 0.2753623 0.5000000 0.2753623), wk = 0.0026667 k( 288) = ( 0.2681159 0.5000000 0.2681159), wk = 0.0026667 k( 289) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0026667 k( 290) = ( 0.2536232 0.5000000 0.2536232), wk = 0.0026667 k( 291) = ( 0.2463768 0.5000000 0.2463768), wk = 0.0026667 k( 292) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0026667 k( 293) = ( 0.2318841 0.5000000 0.2318841), wk = 0.0026667 k( 294) = ( 0.2246377 0.5000000 0.2246377), wk = 0.0026667 k( 295) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0026667 k( 296) = ( 0.2101449 0.5000000 0.2101449), wk = 0.0026667 k( 297) = ( 0.2028986 0.5000000 0.2028985), wk = 0.0026667 k( 298) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0026667 k( 299) = ( 0.1884058 0.5000000 0.1884058), wk = 0.0026667 k( 300) = ( 0.1811594 0.5000000 0.1811594), wk = 0.0026667 k( 301) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0026667 k( 302) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0026667 k( 303) = ( 0.1594203 0.5000000 0.1594203), wk = 0.0026667 k( 304) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0026667 k( 305) = ( 0.1449275 0.5000000 0.1449275), wk = 0.0026667 k( 306) = ( 0.1376812 0.5000000 0.1376812), wk = 0.0026667 k( 307) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0026667 k( 308) = ( 0.1231884 0.5000000 0.1231884), wk = 0.0026667 k( 309) = ( 0.1159420 0.5000000 0.1159420), wk = 0.0026667 k( 310) = ( 0.1086957 0.5000000 0.1086956), wk = 0.0026667 k( 311) = ( 0.1014493 0.5000000 0.1014493), wk = 0.0026667 k( 312) = ( 0.0942029 0.5000000 0.0942029), wk = 0.0026667 k( 313) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0026667 k( 314) = ( 0.0797101 0.5000000 0.0797101), wk = 0.0026667 k( 315) = ( 0.0724638 0.5000000 0.0724638), wk = 0.0026667 k( 316) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0026667 k( 317) = ( 0.0579710 0.5000000 0.0579710), wk = 0.0026667 k( 318) = ( 0.0507246 0.5000000 0.0507246), wk = 0.0026667 k( 319) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0026667 k( 320) = ( 0.0362319 0.5000000 0.0362319), wk = 0.0026667 k( 321) = ( 0.0289855 0.5000000 0.0289855), wk = 0.0026667 k( 322) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0026667 k( 323) = ( 0.0144928 0.5000000 0.0144927), wk = 0.0026667 k( 324) = ( 0.0072464 0.5000000 0.0072464), wk = 0.0026667 k( 325) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026667 k( 326) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 327) = ( 0.5000000 0.5000000 0.0102041), wk = 0.0026667 k( 328) = ( 0.5000000 0.5000000 0.0204082), wk = 0.0026667 k( 329) = ( 0.5000000 0.5000000 0.0306122), wk = 0.0026667 k( 330) = ( 0.5000000 0.5000000 0.0408163), wk = 0.0026667 k( 331) = ( 0.5000000 0.5000000 0.0510204), wk = 0.0026667 k( 332) = ( 0.5000000 0.5000000 0.0612245), wk = 0.0026667 k( 333) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0026667 k( 334) = ( 0.5000000 0.5000000 0.0816326), wk = 0.0026667 k( 335) = ( 0.5000000 0.5000000 0.0918367), wk = 0.0026667 k( 336) = ( 0.5000000 0.5000000 0.1020408), wk = 0.0026667 k( 337) = ( 0.5000000 0.5000000 0.1122449), wk = 0.0026667 k( 338) = ( 0.5000000 0.5000000 0.1224490), wk = 0.0026667 k( 339) = ( 0.5000000 0.5000000 0.1326531), wk = 0.0026667 k( 340) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0026667 k( 341) = ( 0.5000000 0.5000000 0.1530612), wk = 0.0026667 k( 342) = ( 0.5000000 0.5000000 0.1632653), wk = 0.0026667 k( 343) = ( 0.5000000 0.5000000 0.1734694), wk = 0.0026667 k( 344) = ( 0.5000000 0.5000000 0.1836735), wk = 0.0026667 k( 345) = ( 0.5000000 0.5000000 0.1938775), wk = 0.0026667 k( 346) = ( 0.5000000 0.5000000 0.2040816), wk = 0.0026667 k( 347) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0026667 k( 348) = ( 0.5000000 0.5000000 0.2244898), wk = 0.0026667 k( 349) = ( 0.5000000 0.5000000 0.2346939), wk = 0.0026667 k( 350) = ( 0.5000000 0.5000000 0.2448980), wk = 0.0026667 k( 351) = ( 0.5000000 0.5000000 0.2551020), wk = 0.0026667 k( 352) = ( 0.5000000 0.5000000 0.2653061), wk = 0.0026667 k( 353) = ( 0.5000000 0.5000000 0.2755102), wk = 0.0026667 k( 354) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0026667 k( 355) = ( 0.5000000 0.5000000 0.2959184), wk = 0.0026667 k( 356) = ( 0.5000000 0.5000000 0.3061224), wk = 0.0026667 k( 357) = ( 0.5000000 0.5000000 0.3163265), wk = 0.0026667 k( 358) = ( 0.5000000 0.5000000 0.3265306), wk = 0.0026667 k( 359) = ( 0.5000000 0.5000000 0.3367347), wk = 0.0026667 k( 360) = ( 0.5000000 0.5000000 0.3469388), wk = 0.0026667 k( 361) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0026667 k( 362) = ( 0.5000000 0.5000000 0.3673469), wk = 0.0026667 k( 363) = ( 0.5000000 0.5000000 0.3775510), wk = 0.0026667 k( 364) = ( 0.5000000 0.5000000 0.3877551), wk = 0.0026667 k( 365) = ( 0.5000000 0.5000000 0.3979592), wk = 0.0026667 k( 366) = ( 0.5000000 0.5000000 0.4081633), wk = 0.0026667 k( 367) = ( 0.5000000 0.5000000 0.4183673), wk = 0.0026667 k( 368) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0026667 k( 369) = ( 0.5000000 0.5000000 0.4387755), wk = 0.0026667 k( 370) = ( 0.5000000 0.5000000 0.4489796), wk = 0.0026667 k( 371) = ( 0.5000000 0.5000000 0.4591837), wk = 0.0026667 k( 372) = ( 0.5000000 0.5000000 0.4693878), wk = 0.0026667 k( 373) = ( 0.5000000 0.5000000 0.4795918), wk = 0.0026667 k( 374) = ( 0.5000000 0.5000000 0.4897959), wk = 0.0026667 k( 375) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0000000 0.0102041 0.0000000), wk = 0.0026667 k( 3) = ( 0.0000000 0.0204082 0.0000000), wk = 0.0026667 k( 4) = ( 0.0000000 0.0306122 0.0000000), wk = 0.0026667 k( 5) = ( 0.0000000 0.0408163 0.0000000), wk = 0.0026667 k( 6) = ( 0.0000000 0.0510204 0.0000000), wk = 0.0026667 k( 7) = ( 0.0000000 0.0612245 0.0000000), wk = 0.0026667 k( 8) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0026667 k( 9) = ( 0.0000000 0.0816327 0.0000000), wk = 0.0026667 k( 10) = ( 0.0000000 0.0918367 0.0000000), wk = 0.0026667 k( 11) = ( 0.0000000 0.1020408 0.0000000), wk = 0.0026667 k( 12) = ( 0.0000000 0.1122449 0.0000000), wk = 0.0026667 k( 13) = ( 0.0000000 0.1224490 0.0000000), wk = 0.0026667 k( 14) = ( 0.0000000 0.1326531 0.0000000), wk = 0.0026667 k( 15) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0026667 k( 16) = ( 0.0000000 0.1530612 0.0000000), wk = 0.0026667 k( 17) = ( 0.0000000 0.1632653 0.0000000), wk = 0.0026667 k( 18) = ( 0.0000000 0.1734694 0.0000000), wk = 0.0026667 k( 19) = ( 0.0000000 0.1836735 0.0000000), wk = 0.0026667 k( 20) = ( 0.0000000 0.1938776 0.0000000), wk = 0.0026667 k( 21) = ( 0.0000000 0.2040816 0.0000000), wk = 0.0026667 k( 22) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0026667 k( 23) = ( 0.0000000 0.2244898 0.0000000), wk = 0.0026667 k( 24) = ( 0.0000000 0.2346939 0.0000000), wk = 0.0026667 k( 25) = ( 0.0000000 0.2448980 0.0000000), wk = 0.0026667 k( 26) = ( 0.0000000 0.2551020 0.0000000), wk = 0.0026667 k( 27) = ( 0.0000000 0.2653061 0.0000000), wk = 0.0026667 k( 28) = ( 0.0000000 0.2755102 0.0000000), wk = 0.0026667 k( 29) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0026667 k( 30) = ( 0.0000000 0.2959184 0.0000000), wk = 0.0026667 k( 31) = ( 0.0000000 0.3061224 0.0000000), wk = 0.0026667 k( 32) = ( 0.0000000 0.3163265 0.0000000), wk = 0.0026667 k( 33) = ( 0.0000000 0.3265306 0.0000000), wk = 0.0026667 k( 34) = ( 0.0000000 0.3367347 0.0000000), wk = 0.0026667 k( 35) = ( 0.0000000 0.3469388 0.0000000), wk = 0.0026667 k( 36) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0026667 k( 37) = ( 0.0000000 0.3673469 0.0000000), wk = 0.0026667 k( 38) = ( 0.0000000 0.3775510 0.0000000), wk = 0.0026667 k( 39) = ( 0.0000000 0.3877551 0.0000000), wk = 0.0026667 k( 40) = ( 0.0000000 0.3979592 0.0000000), wk = 0.0026667 k( 41) = ( 0.0000000 0.4081633 0.0000000), wk = 0.0026667 k( 42) = ( 0.0000000 0.4183674 0.0000000), wk = 0.0026667 k( 43) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0026667 k( 44) = ( 0.0000000 0.4387755 0.0000000), wk = 0.0026667 k( 45) = ( 0.0000000 0.4489796 0.0000000), wk = 0.0026667 k( 46) = ( 0.0000000 0.4591837 0.0000000), wk = 0.0026667 k( 47) = ( 0.0000000 0.4693878 0.0000000), wk = 0.0026667 k( 48) = ( 0.0000000 0.4795918 0.0000000), wk = 0.0026667 k( 49) = ( 0.0000000 0.4897959 0.0000000), wk = 0.0026667 k( 50) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026667 k( 51) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026667 k( 52) = ( 0.0102041 0.5000000 0.0000000), wk = 0.0026667 k( 53) = ( 0.0204082 0.5000000 0.0000000), wk = 0.0026667 k( 54) = ( 0.0306122 0.5000000 0.0000000), wk = 0.0026667 k( 55) = ( 0.0408163 0.5000000 0.0000000), wk = 0.0026667 k( 56) = ( 0.0510204 0.5000000 0.0000000), wk = 0.0026667 k( 57) = ( 0.0612245 0.5000000 0.0000000), wk = 0.0026667 k( 58) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0026667 k( 59) = ( 0.0816327 0.5000000 0.0000000), wk = 0.0026667 k( 60) = ( 0.0918367 0.5000000 0.0000000), wk = 0.0026667 k( 61) = ( 0.1020408 0.5000000 0.0000000), wk = 0.0026667 k( 62) = ( 0.1122449 0.5000000 0.0000000), wk = 0.0026667 k( 63) = ( 0.1224490 0.5000000 0.0000000), wk = 0.0026667 k( 64) = ( 0.1326531 0.5000000 0.0000000), wk = 0.0026667 k( 65) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0026667 k( 66) = ( 0.1530612 0.5000000 0.0000000), wk = 0.0026667 k( 67) = ( 0.1632653 0.5000000 0.0000000), wk = 0.0026667 k( 68) = ( 0.1734694 0.5000000 0.0000000), wk = 0.0026667 k( 69) = ( 0.1836735 0.5000000 0.0000000), wk = 0.0026667 k( 70) = ( 0.1938776 0.5000000 0.0000000), wk = 0.0026667 k( 71) = ( 0.2040816 0.5000000 0.0000000), wk = 0.0026667 k( 72) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0026667 k( 73) = ( 0.2244898 0.5000000 0.0000000), wk = 0.0026667 k( 74) = ( 0.2346939 0.5000000 0.0000000), wk = 0.0026667 k( 75) = ( 0.2448980 0.5000000 0.0000000), wk = 0.0026667 k( 76) = ( 0.2551020 0.5000000 0.0000000), wk = 0.0026667 k( 77) = ( 0.2653061 0.5000000 0.0000000), wk = 0.0026667 k( 78) = ( 0.2755102 0.5000000 0.0000000), wk = 0.0026667 k( 79) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026667 k( 80) = ( 0.2959184 0.5000000 -0.0000000), wk = 0.0026667 k( 81) = ( 0.3061224 0.5000000 -0.0000000), wk = 0.0026667 k( 82) = ( 0.3163265 0.5000000 0.0000000), wk = 0.0026667 k( 83) = ( 0.3265306 0.5000000 0.0000000), wk = 0.0026667 k( 84) = ( 0.3367347 0.5000000 0.0000000), wk = 0.0026667 k( 85) = ( 0.3469388 0.5000000 0.0000000), wk = 0.0026667 k( 86) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0026667 k( 87) = ( 0.3673469 0.5000000 0.0000000), wk = 0.0026667 k( 88) = ( 0.3775510 0.5000000 0.0000000), wk = 0.0026667 k( 89) = ( 0.3877551 0.5000000 0.0000000), wk = 0.0026667 k( 90) = ( 0.3979592 0.5000000 0.0000000), wk = 0.0026667 k( 91) = ( 0.4081633 0.5000000 -0.0000000), wk = 0.0026667 k( 92) = ( 0.4183674 0.5000000 -0.0000000), wk = 0.0026667 k( 93) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0026667 k( 94) = ( 0.4387755 0.5000000 0.0000000), wk = 0.0026667 k( 95) = ( 0.4489796 0.5000000 0.0000000), wk = 0.0026667 k( 96) = ( 0.4591837 0.5000000 0.0000000), wk = 0.0026667 k( 97) = ( 0.4693878 0.5000000 0.0000000), wk = 0.0026667 k( 98) = ( 0.4795918 0.5000000 0.0000000), wk = 0.0026667 k( 99) = ( 0.4897959 0.5000000 0.0000000), wk = 0.0026667 k( 100) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026667 k( 101) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026667 k( 102) = ( 0.4927536 0.4927536 0.0000000), wk = 0.0026667 k( 103) = ( 0.4855073 0.4855073 0.0000000), wk = 0.0026667 k( 104) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0026667 k( 105) = ( 0.4710145 0.4710145 0.0000000), wk = 0.0026667 k( 106) = ( 0.4637681 0.4637681 0.0000000), wk = 0.0026667 k( 107) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0026667 k( 108) = ( 0.4492754 0.4492754 0.0000000), wk = 0.0026667 k( 109) = ( 0.4420290 0.4420290 0.0000000), wk = 0.0026667 k( 110) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0026667 k( 111) = ( 0.4275362 0.4275362 0.0000000), wk = 0.0026667 k( 112) = ( 0.4202899 0.4202899 0.0000000), wk = 0.0026667 k( 113) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0026667 k( 114) = ( 0.4057971 0.4057971 -0.0000000), wk = 0.0026667 k( 115) = ( 0.3985507 0.3985507 0.0000000), wk = 0.0026667 k( 116) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0026667 k( 117) = ( 0.3840580 0.3840580 0.0000000), wk = 0.0026667 k( 118) = ( 0.3768116 0.3768116 -0.0000000), wk = 0.0026667 k( 119) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0026667 k( 120) = ( 0.3623188 0.3623188 0.0000000), wk = 0.0026667 k( 121) = ( 0.3550725 0.3550725 0.0000000), wk = 0.0026667 k( 122) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0026667 k( 123) = ( 0.3405797 0.3405797 0.0000000), wk = 0.0026667 k( 124) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026667 k( 125) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0026667 k( 126) = ( 0.3188406 0.3188406 0.0000000), wk = 0.0026667 k( 127) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0026667 k( 128) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0026667 k( 129) = ( 0.2971014 0.2971014 0.0000000), wk = 0.0026667 k( 130) = ( 0.2898551 0.2898551 0.0000000), wk = 0.0026667 k( 131) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0026667 k( 132) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0026667 k( 133) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0026667 k( 134) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0026667 k( 135) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0026667 k( 136) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0026667 k( 137) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0026667 k( 138) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0026667 k( 139) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0026667 k( 140) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0026667 k( 141) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0026667 k( 142) = ( 0.2028986 0.2028986 -0.0000000), wk = 0.0026667 k( 143) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0026667 k( 144) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0026667 k( 145) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0026667 k( 146) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0026667 k( 147) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0026667 k( 148) = ( 0.1594203 0.1594203 0.0000000), wk = 0.0026667 k( 149) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0026667 k( 150) = ( 0.1449275 0.1449275 0.0000000), wk = 0.0026667 k( 151) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0026667 k( 152) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0026667 k( 153) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0026667 k( 154) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0026667 k( 155) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0026667 k( 156) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0026667 k( 157) = ( 0.0942029 0.0942029 0.0000000), wk = 0.0026667 k( 158) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0026667 k( 159) = ( 0.0797101 0.0797101 0.0000000), wk = 0.0026667 k( 160) = ( 0.0724638 0.0724638 0.0000000), wk = 0.0026667 k( 161) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0026667 k( 162) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0026667 k( 163) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0026667 k( 164) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0026667 k( 165) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0026667 k( 166) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0026667 k( 167) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0026667 k( 168) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0026667 k( 169) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 172) = ( 0.0059524 0.0059524 0.0059524), wk = 0.0026667 k( 173) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0026667 k( 174) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0026667 k( 175) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0026667 k( 176) = ( 0.0297619 0.0297619 0.0297619), wk = 0.0026667 k( 177) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0026667 k( 178) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0026667 k( 179) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0026667 k( 180) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0026667 k( 181) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0026667 k( 182) = ( 0.0654762 0.0654762 0.0654762), wk = 0.0026667 k( 183) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0026667 k( 184) = ( 0.0773810 0.0773810 0.0773810), wk = 0.0026667 k( 185) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0026667 k( 186) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0026667 k( 187) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0026667 k( 188) = ( 0.1011905 0.1011905 0.1011905), wk = 0.0026667 k( 189) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0026667 k( 190) = ( 0.1130952 0.1130952 0.1130952), wk = 0.0026667 k( 191) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0026667 k( 192) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0026667 k( 193) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0026667 k( 194) = ( 0.1369048 0.1369048 0.1369048), wk = 0.0026667 k( 195) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0026667 k( 196) = ( 0.1488095 0.1488095 0.1488095), wk = 0.0026667 k( 197) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0026667 k( 198) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0026667 k( 199) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0026667 k( 200) = ( 0.1726190 0.1726190 0.1726190), wk = 0.0026667 k( 201) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0026667 k( 202) = ( 0.1845238 0.1845238 0.1845238), wk = 0.0026667 k( 203) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0026667 k( 204) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0026667 k( 205) = ( 0.2023810 0.2023810 0.2023810), wk = 0.0026667 k( 206) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0026667 k( 207) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0026667 k( 208) = ( 0.2202381 0.2202381 0.2202381), wk = 0.0026667 k( 209) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0026667 k( 210) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0026667 k( 211) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0026667 k( 212) = ( 0.2440476 0.2440476 0.2440476), wk = 0.0026667 k( 213) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026667 k( 214) = ( 0.2559524 0.2559524 0.2559524), wk = 0.0026667 k( 215) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0026667 k( 216) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0026667 k( 217) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0026667 k( 218) = ( 0.2797619 0.2797619 0.2797619), wk = 0.0026667 k( 219) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0026667 k( 220) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0026667 k( 221) = ( 0.2976190 0.2976190 0.2976190), wk = 0.0026667 k( 222) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0026667 k( 223) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0026667 k( 224) = ( 0.3154762 0.3154762 0.3154762), wk = 0.0026667 k( 225) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0026667 k( 226) = ( 0.3273810 0.3273810 0.3273810), wk = 0.0026667 k( 227) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0026667 k( 228) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0026667 k( 229) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0026667 k( 230) = ( 0.3511905 0.3511905 0.3511905), wk = 0.0026667 k( 231) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0026667 k( 232) = ( 0.3630952 0.3630952 0.3630952), wk = 0.0026667 k( 233) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0026667 k( 234) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0026667 k( 235) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0026667 k( 236) = ( 0.3869048 0.3869048 0.3869048), wk = 0.0026667 k( 237) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0026667 k( 238) = ( 0.3988095 0.3988095 0.3988095), wk = 0.0026667 k( 239) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0026667 k( 240) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0026667 k( 241) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0026667 k( 242) = ( 0.4226190 0.4226190 0.4226190), wk = 0.0026667 k( 243) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0026667 k( 244) = ( 0.4345238 0.4345238 0.4345238), wk = 0.0026667 k( 245) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0026667 k( 246) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0026667 k( 247) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0026667 k( 248) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0026667 k( 249) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0026667 k( 250) = ( 0.4702381 0.4702381 0.4702381), wk = 0.0026667 k( 251) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0026667 k( 252) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0026667 k( 253) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0026667 k( 254) = ( 0.4940476 0.4940476 0.4940476), wk = 0.0026667 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 257) = ( 0.4927536 0.5000000 0.4927536), wk = 0.0026667 k( 258) = ( 0.4855073 0.5000000 0.4855073), wk = 0.0026667 k( 259) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0026667 k( 260) = ( 0.4710145 0.5000000 0.4710145), wk = 0.0026667 k( 261) = ( 0.4637681 0.5000000 0.4637681), wk = 0.0026667 k( 262) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0026667 k( 263) = ( 0.4492754 0.5000000 0.4492754), wk = 0.0026667 k( 264) = ( 0.4420290 0.5000000 0.4420290), wk = 0.0026667 k( 265) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0026667 k( 266) = ( 0.4275362 0.5000000 0.4275362), wk = 0.0026667 k( 267) = ( 0.4202899 0.5000000 0.4202899), wk = 0.0026667 k( 268) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0026667 k( 269) = ( 0.4057971 0.5000000 0.4057971), wk = 0.0026667 k( 270) = ( 0.3985507 0.5000000 0.3985507), wk = 0.0026667 k( 271) = ( 0.3913044 0.5000000 0.3913044), wk = 0.0026667 k( 272) = ( 0.3840580 0.5000000 0.3840580), wk = 0.0026667 k( 273) = ( 0.3768116 0.5000000 0.3768116), wk = 0.0026667 k( 274) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0026667 k( 275) = ( 0.3623188 0.5000000 0.3623188), wk = 0.0026667 k( 276) = ( 0.3550725 0.5000000 0.3550725), wk = 0.0026667 k( 277) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0026667 k( 278) = ( 0.3405797 0.5000000 0.3405797), wk = 0.0026667 k( 279) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0026667 k( 280) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0026667 k( 281) = ( 0.3188406 0.5000000 0.3188406), wk = 0.0026667 k( 282) = ( 0.3115942 0.5000000 0.3115942), wk = 0.0026667 k( 283) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0026667 k( 284) = ( 0.2971014 0.5000000 0.2971014), wk = 0.0026667 k( 285) = ( 0.2898551 0.5000000 0.2898551), wk = 0.0026667 k( 286) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0026667 k( 287) = ( 0.2753623 0.5000000 0.2753623), wk = 0.0026667 k( 288) = ( 0.2681159 0.5000000 0.2681159), wk = 0.0026667 k( 289) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0026667 k( 290) = ( 0.2536232 0.5000000 0.2536232), wk = 0.0026667 k( 291) = ( 0.2463768 0.5000000 0.2463768), wk = 0.0026667 k( 292) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0026667 k( 293) = ( 0.2318841 0.5000000 0.2318841), wk = 0.0026667 k( 294) = ( 0.2246377 0.5000000 0.2246377), wk = 0.0026667 k( 295) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0026667 k( 296) = ( 0.2101449 0.5000000 0.2101449), wk = 0.0026667 k( 297) = ( 0.2028986 0.5000000 0.2028986), wk = 0.0026667 k( 298) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0026667 k( 299) = ( 0.1884058 0.5000000 0.1884058), wk = 0.0026667 k( 300) = ( 0.1811594 0.5000000 0.1811594), wk = 0.0026667 k( 301) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0026667 k( 302) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0026667 k( 303) = ( 0.1594203 0.5000000 0.1594203), wk = 0.0026667 k( 304) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0026667 k( 305) = ( 0.1449275 0.5000000 0.1449275), wk = 0.0026667 k( 306) = ( 0.1376812 0.5000000 0.1376812), wk = 0.0026667 k( 307) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0026667 k( 308) = ( 0.1231884 0.5000000 0.1231884), wk = 0.0026667 k( 309) = ( 0.1159420 0.5000000 0.1159420), wk = 0.0026667 k( 310) = ( 0.1086957 0.5000000 0.1086957), wk = 0.0026667 k( 311) = ( 0.1014493 0.5000000 0.1014493), wk = 0.0026667 k( 312) = ( 0.0942029 0.5000000 0.0942029), wk = 0.0026667 k( 313) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0026667 k( 314) = ( 0.0797101 0.5000000 0.0797101), wk = 0.0026667 k( 315) = ( 0.0724638 0.5000000 0.0724638), wk = 0.0026667 k( 316) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0026667 k( 317) = ( 0.0579710 0.5000000 0.0579710), wk = 0.0026667 k( 318) = ( 0.0507246 0.5000000 0.0507246), wk = 0.0026667 k( 319) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0026667 k( 320) = ( 0.0362319 0.5000000 0.0362319), wk = 0.0026667 k( 321) = ( 0.0289855 0.5000000 0.0289855), wk = 0.0026667 k( 322) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0026667 k( 323) = ( 0.0144928 0.5000000 0.0144928), wk = 0.0026667 k( 324) = ( 0.0072464 0.5000000 0.0072464), wk = 0.0026667 k( 325) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026667 k( 326) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026667 k( 327) = ( 0.5000000 0.5000000 0.0102041), wk = 0.0026667 k( 328) = ( 0.5000000 0.5000000 0.0204082), wk = 0.0026667 k( 329) = ( 0.5000000 0.5000000 0.0306122), wk = 0.0026667 k( 330) = ( 0.5000000 0.5000000 0.0408163), wk = 0.0026667 k( 331) = ( 0.5000000 0.5000000 0.0510204), wk = 0.0026667 k( 332) = ( 0.5000000 0.5000000 0.0612245), wk = 0.0026667 k( 333) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0026667 k( 334) = ( 0.5000000 0.5000000 0.0816327), wk = 0.0026667 k( 335) = ( 0.5000000 0.5000000 0.0918367), wk = 0.0026667 k( 336) = ( 0.5000000 0.5000000 0.1020408), wk = 0.0026667 k( 337) = ( 0.5000000 0.5000000 0.1122449), wk = 0.0026667 k( 338) = ( 0.5000000 0.5000000 0.1224490), wk = 0.0026667 k( 339) = ( 0.5000000 0.5000000 0.1326531), wk = 0.0026667 k( 340) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0026667 k( 341) = ( 0.5000000 0.5000000 0.1530612), wk = 0.0026667 k( 342) = ( 0.5000000 0.5000000 0.1632653), wk = 0.0026667 k( 343) = ( 0.5000000 0.5000000 0.1734694), wk = 0.0026667 k( 344) = ( 0.5000000 0.5000000 0.1836735), wk = 0.0026667 k( 345) = ( 0.5000000 0.5000000 0.1938776), wk = 0.0026667 k( 346) = ( 0.5000000 0.5000000 0.2040816), wk = 0.0026667 k( 347) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0026667 k( 348) = ( 0.5000000 0.5000000 0.2244898), wk = 0.0026667 k( 349) = ( 0.5000000 0.5000000 0.2346939), wk = 0.0026667 k( 350) = ( 0.5000000 0.5000000 0.2448980), wk = 0.0026667 k( 351) = ( 0.5000000 0.5000000 0.2551020), wk = 0.0026667 k( 352) = ( 0.5000000 0.5000000 0.2653061), wk = 0.0026667 k( 353) = ( 0.5000000 0.5000000 0.2755102), wk = 0.0026667 k( 354) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0026667 k( 355) = ( 0.5000000 0.5000000 0.2959184), wk = 0.0026667 k( 356) = ( 0.5000000 0.5000000 0.3061224), wk = 0.0026667 k( 357) = ( 0.5000000 0.5000000 0.3163265), wk = 0.0026667 k( 358) = ( 0.5000000 0.5000000 0.3265306), wk = 0.0026667 k( 359) = ( 0.5000000 0.5000000 0.3367347), wk = 0.0026667 k( 360) = ( 0.5000000 0.5000000 0.3469388), wk = 0.0026667 k( 361) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0026667 k( 362) = ( 0.5000000 0.5000000 0.3673469), wk = 0.0026667 k( 363) = ( 0.5000000 0.5000000 0.3775510), wk = 0.0026667 k( 364) = ( 0.5000000 0.5000000 0.3877551), wk = 0.0026667 k( 365) = ( 0.5000000 0.5000000 0.3979592), wk = 0.0026667 k( 366) = ( 0.5000000 0.5000000 0.4081633), wk = 0.0026667 k( 367) = ( 0.5000000 0.5000000 0.4183674), wk = 0.0026667 k( 368) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0026667 k( 369) = ( 0.5000000 0.5000000 0.4387755), wk = 0.0026667 k( 370) = ( 0.5000000 0.5000000 0.4489796), wk = 0.0026667 k( 371) = ( 0.5000000 0.5000000 0.4591837), wk = 0.0026667 k( 372) = ( 0.5000000 0.5000000 0.4693878), wk = 0.0026667 k( 373) = ( 0.5000000 0.5000000 0.4795918), wk = 0.0026667 k( 374) = ( 0.5000000 0.5000000 0.4897959), wk = 0.0026667 k( 375) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 Dense grid: 17557 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 12965 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 100, 28) NL pseudopotentials 0.04 Mb ( 50, 50) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 491) G-vector shells 0.00 Mb ( 127) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 100, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.04 Mb ( 50, 2, 28) The potential is recalculated from file : ./ZrOs.save/charge-density.dat Starting wfc are 38 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.6 secs Computing kpt #: 7 total cpu time spent up to now is 2.7 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 2.9 secs Computing kpt #: 10 total cpu time spent up to now is 3.0 secs Computing kpt #: 11 total cpu time spent up to now is 3.1 secs Computing kpt #: 12 total cpu time spent up to now is 3.2 secs Computing kpt #: 13 total cpu time spent up to now is 3.3 secs Computing kpt #: 14 total cpu time spent up to now is 3.4 secs Computing kpt #: 15 total cpu time spent up to now is 3.5 secs Computing kpt #: 16 total cpu time spent up to now is 3.6 secs Computing kpt #: 17 total cpu time spent up to now is 3.7 secs Computing kpt #: 18 total cpu time spent up to now is 3.8 secs Computing kpt #: 19 total cpu time spent up to now is 3.9 secs Computing kpt #: 20 total cpu time spent up to now is 4.0 secs Computing kpt #: 21 total cpu time spent up to now is 4.1 secs Computing kpt #: 22 total cpu time spent up to now is 4.2 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.4 secs Computing kpt #: 25 total cpu time spent up to now is 4.5 secs Computing kpt #: 26 total cpu time spent up to now is 4.6 secs Computing kpt #: 27 total cpu time spent up to now is 4.7 secs Computing kpt #: 28 total cpu time spent up to now is 4.9 secs Computing kpt #: 29 total cpu time spent up to now is 5.0 secs Computing kpt #: 30 total cpu time spent up to now is 5.1 secs Computing kpt #: 31 total cpu time spent up to now is 5.2 secs Computing kpt #: 32 total cpu time spent up to now is 5.3 secs Computing kpt #: 33 total cpu time spent up to now is 5.4 secs Computing kpt #: 34 total cpu time spent up to now is 5.5 secs Computing kpt #: 35 total cpu time spent up to now is 5.5 secs Computing kpt #: 36 total cpu time spent up to now is 5.6 secs Computing kpt #: 37 total cpu time spent up to now is 5.7 secs Computing kpt #: 38 total cpu time spent up to now is 5.8 secs Computing kpt #: 39 total cpu time spent up to now is 5.9 secs Computing kpt #: 40 total cpu time spent up to now is 6.0 secs Computing kpt #: 41 total cpu time spent up to now is 6.1 secs Computing kpt #: 42 total cpu time spent up to now is 6.2 secs Computing kpt #: 43 total cpu time spent up to now is 6.3 secs Computing kpt #: 44 total cpu time spent up to now is 6.4 secs Computing kpt #: 45 total cpu time spent up to now is 6.5 secs Computing kpt #: 46 total cpu time spent up to now is 6.5 secs Computing kpt #: 47 total cpu time spent up to now is 6.6 secs Computing kpt #: 48 total cpu time spent up to now is 6.7 secs Computing kpt #: 49 total cpu time spent up to now is 6.8 secs Computing kpt #: 50 total cpu time spent up to now is 6.9 secs Computing kpt #: 51 total cpu time spent up to now is 6.9 secs Computing kpt #: 52 total cpu time spent up to now is 7.0 secs Computing kpt #: 53 total cpu time spent up to now is 7.1 secs Computing kpt #: 54 total cpu time spent up to now is 7.2 secs Computing kpt #: 55 total cpu time spent up to now is 7.3 secs Computing kpt #: 56 total cpu time spent up to now is 7.3 secs Computing kpt #: 57 total cpu time spent up to now is 7.4 secs Computing kpt #: 58 total cpu time spent up to now is 7.5 secs Computing kpt #: 59 total cpu time spent up to now is 7.6 secs Computing kpt #: 60 total cpu time spent up to now is 7.7 secs Computing kpt #: 61 total cpu time spent up to now is 7.7 secs Computing kpt #: 62 total cpu time spent up to now is 7.8 secs Computing kpt #: 63 total cpu time spent up to now is 7.9 secs Computing kpt #: 64 total cpu time spent up to now is 8.0 secs Computing kpt #: 65 total cpu time spent up to now is 8.1 secs Computing kpt #: 66 total cpu time spent up to now is 8.2 secs Computing kpt #: 67 total cpu time spent up to now is 8.2 secs Computing kpt #: 68 total cpu time spent up to now is 8.3 secs Computing kpt #: 69 total cpu time spent up to now is 8.4 secs Computing kpt #: 70 total cpu time spent up to now is 8.5 secs Computing kpt #: 71 total cpu time spent up to now is 8.6 secs Computing kpt #: 72 total cpu time spent up to now is 8.7 secs Computing kpt #: 73 total cpu time spent up to now is 8.8 secs Computing kpt #: 74 total cpu time spent up to now is 8.9 secs Computing kpt #: 75 total cpu time spent up to now is 9.0 secs Computing kpt #: 76 total cpu time spent up to now is 9.1 secs Computing kpt #: 77 total cpu time spent up to now is 9.3 secs Computing kpt #: 78 total cpu time spent up to now is 9.4 secs Computing kpt #: 79 total cpu time spent up to now is 9.5 secs Computing kpt #: 80 total cpu time spent up to now is 9.6 secs Computing kpt #: 81 total cpu time spent up to now is 9.7 secs Computing kpt #: 82 total cpu time spent up to now is 9.8 secs Computing kpt #: 83 total cpu time spent up to now is 9.9 secs Computing kpt #: 84 total cpu time spent up to now is 10.0 secs Computing kpt #: 85 total cpu time spent up to now is 10.2 secs Computing kpt #: 86 total cpu time spent up to now is 10.3 secs Computing kpt #: 87 total cpu time spent up to now is 10.4 secs Computing kpt #: 88 total cpu time spent up to now is 10.5 secs Computing kpt #: 89 total cpu time spent up to now is 10.7 secs Computing kpt #: 90 total cpu time spent up to now is 10.8 secs Computing kpt #: 91 total cpu time spent up to now is 10.9 secs Computing kpt #: 92 total cpu time spent up to now is 11.0 secs Computing kpt #: 93 total cpu time spent up to now is 11.2 secs Computing kpt #: 94 total cpu time spent up to now is 11.3 secs Computing kpt #: 95 total cpu time spent up to now is 11.4 secs Computing kpt #: 96 total cpu time spent up to now is 11.6 secs Computing kpt #: 97 total cpu time spent up to now is 11.7 secs Computing kpt #: 98 total cpu time spent up to now is 11.8 secs Computing kpt #: 99 total cpu time spent up to now is 11.9 secs Computing kpt #: 100 total cpu time spent up to now is 12.0 secs Computing kpt #: 101 total cpu time spent up to now is 12.1 secs Computing kpt #: 102 total cpu time spent up to now is 12.3 secs Computing kpt #: 103 total cpu time spent up to now is 12.4 secs Computing kpt #: 104 total cpu time spent up to now is 12.5 secs Computing kpt #: 105 total cpu time spent up to now is 12.6 secs Computing kpt #: 106 total cpu time spent up to now is 12.8 secs Computing kpt #: 107 total cpu time spent up to now is 12.9 secs Computing kpt #: 108 total cpu time spent up to now is 13.0 secs Computing kpt #: 109 total cpu time spent up to now is 13.2 secs Computing kpt #: 110 total cpu time spent up to now is 13.3 secs Computing kpt #: 111 total cpu time spent up to now is 13.4 secs Computing kpt #: 112 total cpu time spent up to now is 13.5 secs Computing kpt #: 113 total cpu time spent up to now is 13.7 secs Computing kpt #: 114 total cpu time spent up to now is 13.8 secs Computing kpt #: 115 total cpu time spent up to now is 13.9 secs Computing kpt #: 116 total cpu time spent up to now is 14.0 secs Computing kpt #: 117 total cpu time spent up to now is 14.1 secs Computing kpt #: 118 total cpu time spent up to now is 14.2 secs Computing kpt #: 119 total cpu time spent up to now is 14.3 secs Computing kpt #: 120 total cpu time spent up to now is 14.4 secs Computing kpt #: 121 total cpu time spent up to now is 14.5 secs Computing kpt #: 122 total cpu time spent up to now is 14.6 secs Computing kpt #: 123 total cpu time spent up to now is 14.7 secs Computing kpt #: 124 total cpu time spent up to now is 14.8 secs Computing kpt #: 125 total cpu time spent up to now is 14.9 secs Computing kpt #: 126 total cpu time spent up to now is 15.0 secs Computing kpt #: 127 total cpu time spent up to now is 15.1 secs Computing kpt #: 128 total cpu time spent up to now is 15.2 secs Computing kpt #: 129 total cpu time spent up to now is 15.3 secs Computing kpt #: 130 total cpu time spent up to now is 15.4 secs Computing kpt #: 131 total cpu time spent up to now is 15.5 secs Computing kpt #: 132 total cpu time spent up to now is 15.5 secs Computing kpt #: 133 total cpu time spent up to now is 15.6 secs Computing kpt #: 134 total cpu time spent up to now is 15.7 secs Computing kpt #: 135 total cpu time spent up to now is 15.8 secs Computing kpt #: 136 total cpu time spent up to now is 15.9 secs Computing kpt #: 137 total cpu time spent up to now is 16.0 secs Computing kpt #: 138 total cpu time spent up to now is 16.1 secs Computing kpt #: 139 total cpu time spent up to now is 16.2 secs Computing kpt #: 140 total cpu time spent up to now is 16.2 secs Computing kpt #: 141 total cpu time spent up to now is 16.3 secs Computing kpt #: 142 total cpu time spent up to now is 16.4 secs Computing kpt #: 143 total cpu time spent up to now is 16.5 secs Computing kpt #: 144 total cpu time spent up to now is 16.6 secs Computing kpt #: 145 total cpu time spent up to now is 16.7 secs Computing kpt #: 146 total cpu time spent up to now is 16.8 secs Computing kpt #: 147 total cpu time spent up to now is 16.9 secs Computing kpt #: 148 total cpu time spent up to now is 16.9 secs Computing kpt #: 149 total cpu time spent up to now is 17.0 secs Computing kpt #: 150 total cpu time spent up to now is 17.1 secs Computing kpt #: 151 total cpu time spent up to now is 17.2 secs Computing kpt #: 152 total cpu time spent up to now is 17.3 secs Computing kpt #: 153 total cpu time spent up to now is 17.4 secs Computing kpt #: 154 total cpu time spent up to now is 17.5 secs Computing kpt #: 155 total cpu time spent up to now is 17.6 secs Computing kpt #: 156 total cpu time spent up to now is 17.7 secs Computing kpt #: 157 total cpu time spent up to now is 17.8 secs Computing kpt #: 158 total cpu time spent up to now is 17.9 secs Computing kpt #: 159 total cpu time spent up to now is 18.0 secs Computing kpt #: 160 total cpu time spent up to now is 18.1 secs Computing kpt #: 161 total cpu time spent up to now is 18.2 secs Computing kpt #: 162 total cpu time spent up to now is 18.3 secs Computing kpt #: 163 total cpu time spent up to now is 18.4 secs Computing kpt #: 164 total cpu time spent up to now is 18.6 secs Computing kpt #: 165 total cpu time spent up to now is 18.7 secs Computing kpt #: 166 total cpu time spent up to now is 18.8 secs Computing kpt #: 167 total cpu time spent up to now is 18.9 secs Computing kpt #: 168 total cpu time spent up to now is 19.0 secs Computing kpt #: 169 total cpu time spent up to now is 19.1 secs Computing kpt #: 170 total cpu time spent up to now is 19.2 secs Computing kpt #: 171 total cpu time spent up to now is 19.3 secs Computing kpt #: 172 total cpu time spent up to now is 19.4 secs Computing kpt #: 173 total cpu time spent up to now is 19.5 secs Computing kpt #: 174 total cpu time spent up to now is 19.7 secs Computing kpt #: 175 total cpu time spent up to now is 19.8 secs Computing kpt #: 176 total cpu time spent up to now is 19.9 secs Computing kpt #: 177 total cpu time spent up to now is 20.0 secs Computing kpt #: 178 total cpu time spent up to now is 20.1 secs Computing kpt #: 179 total cpu time spent up to now is 20.2 secs Computing kpt #: 180 total cpu time spent up to now is 20.3 secs Computing kpt #: 181 total cpu time spent up to now is 20.4 secs Computing kpt #: 182 total cpu time spent up to now is 20.6 secs Computing kpt #: 183 total cpu time spent up to now is 20.7 secs Computing kpt #: 184 total cpu time spent up to now is 20.8 secs Computing kpt #: 185 total cpu time spent up to now is 20.9 secs Computing kpt #: 186 total cpu time spent up to now is 21.0 secs Computing kpt #: 187 total cpu time spent up to now is 21.1 secs Computing kpt #: 188 total cpu time spent up to now is 21.3 secs Computing kpt #: 189 total cpu time spent up to now is 21.4 secs Computing kpt #: 190 total cpu time spent up to now is 21.5 secs Computing kpt #: 191 total cpu time spent up to now is 21.6 secs Computing kpt #: 192 total cpu time spent up to now is 21.8 secs Computing kpt #: 193 total cpu time spent up to now is 21.9 secs Computing kpt #: 194 total cpu time spent up to now is 22.0 secs Computing kpt #: 195 total cpu time spent up to now is 22.1 secs Computing kpt #: 196 total cpu time spent up to now is 22.2 secs Computing kpt #: 197 total cpu time spent up to now is 22.4 secs Computing kpt #: 198 total cpu time spent up to now is 22.5 secs Computing kpt #: 199 total cpu time spent up to now is 22.6 secs Computing kpt #: 200 total cpu time spent up to now is 22.7 secs Computing kpt #: 201 total cpu time spent up to now is 22.8 secs Computing kpt #: 202 total cpu time spent up to now is 22.9 secs Computing kpt #: 203 total cpu time spent up to now is 23.1 secs Computing kpt #: 204 total cpu time spent up to now is 23.2 secs Computing kpt #: 205 total cpu time spent up to now is 23.3 secs Computing kpt #: 206 total cpu time spent up to now is 23.4 secs Computing kpt #: 207 total cpu time spent up to now is 23.5 secs Computing kpt #: 208 total cpu time spent up to now is 23.6 secs Computing kpt #: 209 total cpu time spent up to now is 23.8 secs Computing kpt #: 210 total cpu time spent up to now is 23.9 secs Computing kpt #: 211 total cpu time spent up to now is 24.0 secs Computing kpt #: 212 total cpu time spent up to now is 24.1 secs Computing kpt #: 213 total cpu time spent up to now is 24.3 secs Computing kpt #: 214 total cpu time spent up to now is 24.4 secs Computing kpt #: 215 total cpu time spent up to now is 24.5 secs Computing kpt #: 216 total cpu time spent up to now is 24.6 secs Computing kpt #: 217 total cpu time spent up to now is 24.7 secs Computing kpt #: 218 total cpu time spent up to now is 24.8 secs Computing kpt #: 219 total cpu time spent up to now is 24.9 secs Computing kpt #: 220 total cpu time spent up to now is 25.0 secs Computing kpt #: 221 total cpu time spent up to now is 25.1 secs Computing kpt #: 222 total cpu time spent up to now is 25.2 secs Computing kpt #: 223 total cpu time spent up to now is 25.3 secs Computing kpt #: 224 total cpu time spent up to now is 25.4 secs Computing kpt #: 225 total cpu time spent up to now is 25.4 secs Computing kpt #: 226 total cpu time spent up to now is 25.5 secs Computing kpt #: 227 total cpu time spent up to now is 25.6 secs Computing kpt #: 228 total cpu time spent up to now is 25.7 secs Computing kpt #: 229 total cpu time spent up to now is 25.8 secs Computing kpt #: 230 total cpu time spent up to now is 25.9 secs Computing kpt #: 231 total cpu time spent up to now is 25.9 secs Computing kpt #: 232 total cpu time spent up to now is 26.0 secs Computing kpt #: 233 total cpu time spent up to now is 26.1 secs Computing kpt #: 234 total cpu time spent up to now is 26.2 secs Computing kpt #: 235 total cpu time spent up to now is 26.3 secs Computing kpt #: 236 total cpu time spent up to now is 26.4 secs Computing kpt #: 237 total cpu time spent up to now is 26.5 secs Computing kpt #: 238 total cpu time spent up to now is 26.6 secs Computing kpt #: 239 total cpu time spent up to now is 26.6 secs Computing kpt #: 240 total cpu time spent up to now is 26.7 secs Computing kpt #: 241 total cpu time spent up to now is 26.8 secs Computing kpt #: 242 total cpu time spent up to now is 26.9 secs Computing kpt #: 243 total cpu time spent up to now is 27.0 secs Computing kpt #: 244 total cpu time spent up to now is 27.1 secs Computing kpt #: 245 total cpu time spent up to now is 27.3 secs Computing kpt #: 246 total cpu time spent up to now is 27.4 secs Computing kpt #: 247 total cpu time spent up to now is 27.5 secs Computing kpt #: 248 total cpu time spent up to now is 27.7 secs Computing kpt #: 249 total cpu time spent up to now is 27.8 secs Computing kpt #: 250 total cpu time spent up to now is 27.9 secs Computing kpt #: 251 total cpu time spent up to now is 28.1 secs Computing kpt #: 252 total cpu time spent up to now is 28.2 secs Computing kpt #: 253 total cpu time spent up to now is 28.3 secs Computing kpt #: 254 total cpu time spent up to now is 28.4 secs Computing kpt #: 255 total cpu time spent up to now is 28.5 secs Computing kpt #: 256 total cpu time spent up to now is 28.6 secs Computing kpt #: 257 total cpu time spent up to now is 28.7 secs Computing kpt #: 258 total cpu time spent up to now is 28.9 secs Computing kpt #: 259 total cpu time spent up to now is 29.0 secs Computing kpt #: 260 total cpu time spent up to now is 29.1 secs Computing kpt #: 261 total cpu time spent up to now is 29.2 secs Computing kpt #: 262 total cpu time spent up to now is 29.3 secs Computing kpt #: 263 total cpu time spent up to now is 29.5 secs Computing kpt #: 264 total cpu time spent up to now is 29.6 secs Computing kpt #: 265 total cpu time spent up to now is 29.7 secs Computing kpt #: 266 total cpu time spent up to now is 29.9 secs Computing kpt #: 267 total cpu time spent up to now is 30.0 secs Computing kpt #: 268 total cpu time spent up to now is 30.1 secs Computing kpt #: 269 total cpu time spent up to now is 30.2 secs Computing kpt #: 270 total cpu time spent up to now is 30.3 secs Computing kpt #: 271 total cpu time spent up to now is 30.4 secs Computing kpt #: 272 total cpu time spent up to now is 30.5 secs Computing kpt #: 273 total cpu time spent up to now is 30.5 secs Computing kpt #: 274 total cpu time spent up to now is 30.6 secs Computing kpt #: 275 total cpu time spent up to now is 30.7 secs Computing kpt #: 276 total cpu time spent up to now is 30.8 secs Computing kpt #: 277 total cpu time spent up to now is 30.9 secs Computing kpt #: 278 total cpu time spent up to now is 31.0 secs Computing kpt #: 279 total cpu time spent up to now is 31.1 secs Computing kpt #: 280 total cpu time spent up to now is 31.2 secs Computing kpt #: 281 total cpu time spent up to now is 31.3 secs Computing kpt #: 282 total cpu time spent up to now is 31.5 secs Computing kpt #: 283 total cpu time spent up to now is 31.6 secs Computing kpt #: 284 total cpu time spent up to now is 31.7 secs Computing kpt #: 285 total cpu time spent up to now is 31.9 secs Computing kpt #: 286 total cpu time spent up to now is 32.0 secs Computing kpt #: 287 total cpu time spent up to now is 32.1 secs Computing kpt #: 288 total cpu time spent up to now is 32.3 secs Computing kpt #: 289 total cpu time spent up to now is 32.4 secs Computing kpt #: 290 total cpu time spent up to now is 32.6 secs Computing kpt #: 291 total cpu time spent up to now is 32.7 secs Computing kpt #: 292 total cpu time spent up to now is 32.8 secs Computing kpt #: 293 total cpu time spent up to now is 33.0 secs Computing kpt #: 294 total cpu time spent up to now is 33.1 secs Computing kpt #: 295 total cpu time spent up to now is 33.2 secs Computing kpt #: 296 total cpu time spent up to now is 33.3 secs Computing kpt #: 297 total cpu time spent up to now is 33.4 secs Computing kpt #: 298 total cpu time spent up to now is 33.5 secs Computing kpt #: 299 total cpu time spent up to now is 33.7 secs Computing kpt #: 300 total cpu time spent up to now is 33.8 secs Computing kpt #: 301 total cpu time spent up to now is 33.9 secs Computing kpt #: 302 total cpu time spent up to now is 34.1 secs Computing kpt #: 303 total cpu time spent up to now is 34.2 secs Computing kpt #: 304 total cpu time spent up to now is 34.3 secs Computing kpt #: 305 total cpu time spent up to now is 34.4 secs Computing kpt #: 306 total cpu time spent up to now is 34.5 secs Computing kpt #: 307 total cpu time spent up to now is 34.7 secs Computing kpt #: 308 total cpu time spent up to now is 34.8 secs Computing kpt #: 309 total cpu time spent up to now is 34.9 secs Computing kpt #: 310 total cpu time spent up to now is 35.0 secs Computing kpt #: 311 total cpu time spent up to now is 35.1 secs Computing kpt #: 312 total cpu time spent up to now is 35.2 secs Computing kpt #: 313 total cpu time spent up to now is 35.3 secs Computing kpt #: 314 total cpu time spent up to now is 35.4 secs Computing kpt #: 315 total cpu time spent up to now is 35.4 secs Computing kpt #: 316 total cpu time spent up to now is 35.5 secs Computing kpt #: 317 total cpu time spent up to now is 35.6 secs Computing kpt #: 318 total cpu time spent up to now is 35.7 secs Computing kpt #: 319 total cpu time spent up to now is 35.8 secs Computing kpt #: 320 total cpu time spent up to now is 35.8 secs Computing kpt #: 321 total cpu time spent up to now is 35.9 secs Computing kpt #: 322 total cpu time spent up to now is 36.0 secs Computing kpt #: 323 total cpu time spent up to now is 36.1 secs Computing kpt #: 324 total cpu time spent up to now is 36.2 secs Computing kpt #: 325 total cpu time spent up to now is 36.2 secs Computing kpt #: 326 total cpu time spent up to now is 36.4 secs Computing kpt #: 327 total cpu time spent up to now is 36.5 secs Computing kpt #: 328 total cpu time spent up to now is 36.6 secs Computing kpt #: 329 total cpu time spent up to now is 36.7 secs Computing kpt #: 330 total cpu time spent up to now is 36.8 secs Computing kpt #: 331 total cpu time spent up to now is 36.9 secs Computing kpt #: 332 total cpu time spent up to now is 37.0 secs Computing kpt #: 333 total cpu time spent up to now is 37.1 secs Computing kpt #: 334 total cpu time spent up to now is 37.3 secs Computing kpt #: 335 total cpu time spent up to now is 37.4 secs Computing kpt #: 336 total cpu time spent up to now is 37.5 secs Computing kpt #: 337 total cpu time spent up to now is 37.6 secs Computing kpt #: 338 total cpu time spent up to now is 37.7 secs Computing kpt #: 339 total cpu time spent up to now is 37.8 secs Computing kpt #: 340 total cpu time spent up to now is 37.9 secs Computing kpt #: 341 total cpu time spent up to now is 38.0 secs Computing kpt #: 342 total cpu time spent up to now is 38.1 secs Computing kpt #: 343 total cpu time spent up to now is 38.2 secs Computing kpt #: 344 total cpu time spent up to now is 38.3 secs Computing kpt #: 345 total cpu time spent up to now is 38.4 secs Computing kpt #: 346 total cpu time spent up to now is 38.5 secs Computing kpt #: 347 total cpu time spent up to now is 38.6 secs Computing kpt #: 348 total cpu time spent up to now is 38.7 secs Computing kpt #: 349 total cpu time spent up to now is 38.8 secs Computing kpt #: 350 total cpu time spent up to now is 38.9 secs Computing kpt #: 351 total cpu time spent up to now is 39.0 secs Computing kpt #: 352 total cpu time spent up to now is 39.1 secs Computing kpt #: 353 total cpu time spent up to now is 39.2 secs Computing kpt #: 354 total cpu time spent up to now is 39.3 secs Computing kpt #: 355 total cpu time spent up to now is 39.4 secs Computing kpt #: 356 total cpu time spent up to now is 39.4 secs Computing kpt #: 357 total cpu time spent up to now is 39.5 secs Computing kpt #: 358 total cpu time spent up to now is 39.6 secs Computing kpt #: 359 total cpu time spent up to now is 39.7 secs Computing kpt #: 360 total cpu time spent up to now is 39.8 secs Computing kpt #: 361 total cpu time spent up to now is 40.0 secs Computing kpt #: 362 total cpu time spent up to now is 40.1 secs Computing kpt #: 363 total cpu time spent up to now is 40.2 secs Computing kpt #: 364 total cpu time spent up to now is 40.3 secs Computing kpt #: 365 total cpu time spent up to now is 40.4 secs Computing kpt #: 366 total cpu time spent up to now is 40.6 secs Computing kpt #: 367 total cpu time spent up to now is 40.7 secs Computing kpt #: 368 total cpu time spent up to now is 40.8 secs Computing kpt #: 369 total cpu time spent up to now is 40.9 secs Computing kpt #: 370 total cpu time spent up to now is 41.0 secs Computing kpt #: 371 total cpu time spent up to now is 41.1 secs Computing kpt #: 372 total cpu time spent up to now is 41.3 secs Computing kpt #: 373 total cpu time spent up to now is 41.4 secs Computing kpt #: 374 total cpu time spent up to now is 41.5 secs Computing kpt #: 375 total cpu time spent up to now is 41.6 secs ethr = 5.00E-08, avg # of iterations = 14.2 total cpu time spent up to now is 41.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): -69.5859 -69.5859 -37.9768 -37.9768 -25.7851 -25.7851 -25.7851 -25.7851 8.1168 8.1168 11.0473 11.0473 11.0473 11.0473 14.4691 14.4691 14.4691 14.4691 15.0052 15.0052 18.4065 18.4065 18.4065 18.4065 21.3853 21.3853 21.3853 21.3853 k = 0.0000 0.0102-0.0000 ( 1599 PWs) bands (ev): -69.5859 -69.5859 -37.9769 -37.9769 -25.7853 -25.7853 -25.7852 -25.7852 8.1190 8.1190 11.0482 11.0482 11.0488 11.0488 14.4687 14.4687 14.4695 14.4695 15.0053 15.0053 18.4036 18.4036 18.4075 18.4075 21.3712 21.3712 21.3809 21.3809 k = 0.0000 0.0204-0.0000 ( 1607 PWs) bands (ev): -69.5859 -69.5859 -37.9769 -37.9769 -25.7856 -25.7856 -25.7853 -25.7853 8.1257 8.1257 11.0515 11.0515 11.0540 11.0540 14.4680 14.4680 14.4708 14.4708 15.0057 15.0057 18.3951 18.3951 18.4104 18.4104 21.3306 21.3306 21.3675 21.3675 k = 0.0000 0.0306-0.0000 ( 1607 PWs) bands (ev): -69.5859 -69.5859 -37.9770 -37.9770 -25.7860 -25.7860 -25.7853 -25.7853 8.1368 8.1368 11.0571 11.0571 11.0626 11.0626 14.4670 14.4670 14.4730 14.4730 15.0065 15.0065 18.3809 18.3809 18.4154 18.4154 21.2662 21.2662 21.3438 21.3438 k = 0.0000 0.0408-0.0000 ( 1607 PWs) bands (ev): -69.5859 -69.5859 -37.9771 -37.9771 -25.7866 -25.7866 -25.7853 -25.7853 8.1523 8.1523 11.0648 11.0648 11.0746 11.0746 14.4655 14.4655 14.4762 14.4762 15.0076 15.0076 18.3611 18.3611 18.4222 18.4222 21.1819 21.1819 21.3075 21.3075 k = 0.0000 0.0510-0.0000 ( 1607 PWs) bands (ev): -69.5859 -69.5859 -37.9772 -37.9772 -25.7873 -25.7873 -25.7853 -25.7853 8.1722 8.1722 11.0748 11.0748 11.0900 11.0900 14.4636 14.4636 14.4801 14.4801 15.0092 15.0092 18.3358 18.3358 18.4309 18.4309 21.0817 21.0817 21.2563 21.2563 k = 0.0000 0.0612-0.0000 ( 1607 PWs) bands (ev): -69.5859 -69.5859 -37.9774 -37.9774 -25.7881 -25.7881 -25.7853 -25.7853 8.1965 8.1965 11.0869 11.0869 11.1087 11.1087 14.4613 14.4613 14.4849 14.4849 15.0113 15.0113 18.3051 18.3051 18.4413 18.4413 20.9693 20.9693 21.1886 21.1886 k = 0.0000 0.0714-0.0000 ( 1607 PWs) bands (ev): -69.5858 -69.5858 -37.9775 -37.9775 -25.7892 -25.7892 -25.7853 -25.7853 8.2251 8.2251 11.1012 11.1012 11.1306 11.1306 14.4587 14.4587 14.4903 14.4903 15.0139 15.0139 18.2692 18.2692 18.4534 18.4534 20.8480 20.8480 21.1051 21.1051 k = 0.0000 0.0816-0.0000 ( 1611 PWs) bands (ev): -69.5858 -69.5858 -37.9777 -37.9777 -25.7904 -25.7904 -25.7853 -25.7853 8.2580 8.2580 11.1177 11.1177 11.1557 11.1557 14.4557 14.4557 14.4965 14.4965 15.0171 15.0171 18.2281 18.2281 18.4668 18.4668 20.7200 20.7200 21.0079 21.0079 k = 0.0000 0.0918-0.0000 ( 1615 PWs) bands (ev): -69.5857 -69.5857 -37.9780 -37.9780 -25.7917 -25.7917 -25.7853 -25.7853 8.2952 8.2952 11.1364 11.1364 11.1839 11.1839 14.4524 14.4524 14.5032 14.5032 15.0210 15.0210 18.1820 18.1820 18.4817 18.4817 20.5876 20.5876 20.9001 20.9001 k = 0.0000 0.1020-0.0000 ( 1615 PWs) bands (ev): -69.5857 -69.5857 -37.9782 -37.9782 -25.7931 -25.7931 -25.7853 -25.7853 8.3366 8.3366 11.1572 11.1572 11.2151 11.2151 14.4489 14.4489 14.5104 14.5104 15.0257 15.0257 18.1312 18.1312 18.4976 18.4976 20.4523 20.4523 20.7841 20.7841 k = 0.0000 0.1122-0.0000 ( 1623 PWs) bands (ev): -69.5857 -69.5857 -37.9785 -37.9785 -25.7947 -25.7947 -25.7853 -25.7853 8.3821 8.3821 11.1801 11.1801 11.2491 11.2491 14.4451 14.4451 14.5179 14.5179 15.0314 15.0314 18.0757 18.0757 18.5144 18.5144 20.3153 20.3153 20.6623 20.6623 k = 0.0000 0.1224-0.0000 ( 1619 PWs) bands (ev): -69.5856 -69.5856 -37.9787 -37.9787 -25.7964 -25.7964 -25.7853 -25.7853 8.4316 8.4316 11.2052 11.2052 11.2859 11.2859 14.4413 14.4413 14.5258 14.5258 15.0381 15.0381 18.0159 18.0159 18.5317 18.5317 20.1777 20.1777 20.5363 20.5363 k = 0.0000 0.1327-0.0000 ( 1619 PWs) bands (ev): -69.5855 -69.5855 -37.9790 -37.9790 -25.7982 -25.7982 -25.7853 -25.7853 8.4852 8.4852 11.2323 11.2323 11.3254 11.3254 14.4373 14.4373 14.5340 14.5340 15.0460 15.0460 17.9520 17.9520 18.5491 18.5491 20.0403 20.0403 20.4074 20.4074 k = 0.0000 0.1429-0.0000 ( 1615 PWs) bands (ev): -69.5854 -69.5854 -37.9793 -37.9793 -25.8001 -25.8001 -25.7853 -25.7853 8.5427 8.5427 11.2615 11.2615 11.3674 11.3674 14.4332 14.4332 14.5422 14.5422 15.0552 15.0552 17.8841 17.8841 18.5663 18.5663 19.9039 19.9039 20.2767 20.2767 k = 0.0000 0.1531-0.0000 ( 1615 PWs) bands (ev): -69.5854 -69.5854 -37.9797 -37.9797 -25.8021 -25.8021 -25.7853 -25.7853 8.6040 8.6040 11.2927 11.2927 11.4116 11.4116 14.4291 14.4291 14.5505 14.5505 15.0657 15.0657 17.8125 17.8125 18.5824 18.5824 19.7693 19.7693 20.1450 20.1450 k = 0.0000 0.1633-0.0000 ( 1615 PWs) bands (ev): -69.5853 -69.5853 -37.9800 -37.9800 -25.8042 -25.8042 -25.7853 -25.7853 8.6691 8.6691 11.3259 11.3259 11.4579 11.4579 14.4249 14.4249 14.5588 14.5588 15.0776 15.0776 17.7374 17.7374 18.5969 18.5969 19.6371 19.6371 20.0130 20.0130 k = 0.0000 0.1735-0.0000 ( 1615 PWs) bands (ev): -69.5852 -69.5852 -37.9804 -37.9804 -25.8063 -25.8063 -25.7853 -25.7853 8.7377 8.7377 11.3611 11.3611 11.5062 11.5062 14.4208 14.4208 14.5669 14.5669 15.0911 15.0911 17.6591 17.6591 18.6087 18.6087 19.5082 19.5082 19.8812 19.8812 k = 0.0000 0.1837-0.0000 ( 1623 PWs) bands (ev): -69.5852 -69.5852 -37.9808 -37.9808 -25.8086 -25.8086 -25.7853 -25.7853 8.8099 8.8099 11.3982 11.3982 11.5563 11.5563 14.4168 14.4168 14.5748 14.5748 15.1060 15.1060 17.5778 17.5778 18.6165 18.6165 19.3838 19.3838 19.7502 19.7502 k = 0.0000 0.1939-0.0000 ( 1615 PWs) bands (ev): -69.5850 -69.5850 -37.9812 -37.9812 -25.8109 -25.8109 -25.7853 -25.7853 8.8855 8.8855 11.4373 11.4373 11.6079 11.6079 14.4130 14.4130 14.5826 14.5826 15.1226 15.1226 17.4939 17.4939 18.6184 18.6184 19.2653 19.2653 19.6204 19.6204 k = 0.0000 0.2041-0.0000 ( 1615 PWs) bands (ev): -69.5850 -69.5850 -37.9815 -37.9815 -25.8132 -25.8132 -25.7853 -25.7853 8.9644 8.9644 11.4781 11.4781 11.6608 11.6608 14.4092 14.4092 14.5902 14.5902 15.1408 15.1408 17.4075 17.4075 18.6117 18.6117 19.1550 19.1550 19.4921 19.4921 k = 0.0000 0.2143-0.0000 ( 1611 PWs) bands (ev): -69.5849 -69.5849 -37.9819 -37.9819 -25.8156 -25.8156 -25.7853 -25.7853 9.0464 9.0464 11.5208 11.5208 11.7148 11.7148 14.4057 14.4057 14.5976 14.5976 15.1605 15.1605 17.3190 17.3190 18.5926 18.5926 19.0562 19.0562 19.3655 19.3655 k = 0.0000 0.2245-0.0000 ( 1611 PWs) bands (ev): -69.5848 -69.5848 -37.9824 -37.9824 -25.8181 -25.8181 -25.7853 -25.7853 9.1313 9.1313 11.5652 11.5652 11.7696 11.7696 14.4024 14.4024 14.6048 14.6048 15.1817 15.1817 17.2285 17.2285 18.5569 18.5569 18.9725 18.9725 19.2410 19.2410 k = 0.0000 0.2347-0.0000 ( 1611 PWs) bands (ev): -69.5847 -69.5847 -37.9828 -37.9828 -25.8205 -25.8205 -25.7853 -25.7853 9.2190 9.2190 11.6112 11.6112 11.8250 11.8250 14.3993 14.3993 14.6118 14.6118 15.2043 15.2043 17.1363 17.1363 18.5019 18.5019 18.9058 18.9058 19.1189 19.1189 k = 0.0000 0.2449-0.0000 ( 1611 PWs) bands (ev): -69.5846 -69.5846 -37.9832 -37.9832 -25.8230 -25.8230 -25.7853 -25.7853 9.3094 9.3094 11.6589 11.6589 11.8807 11.8807 14.3965 14.3965 14.6187 14.6187 15.2283 15.2283 17.0428 17.0428 18.4296 18.4296 18.8536 18.8536 18.9993 18.9993 k = 0.0000 0.2551-0.0000 ( 1611 PWs) bands (ev): -69.5845 -69.5845 -37.9836 -37.9836 -25.8255 -25.8255 -25.7853 -25.7853 9.4022 9.4022 11.7080 11.7080 11.9364 11.9364 14.3939 14.3939 14.6256 14.6256 15.2534 15.2534 16.9482 16.9482 18.3451 18.3451 18.8102 18.8102 18.8824 18.8824 k = 0.0000 0.2653-0.0000 ( 1619 PWs) bands (ev): -69.5844 -69.5844 -37.9840 -37.9840 -25.8280 -25.8280 -25.7853 -25.7853 9.4972 9.4972 11.7586 11.7586 11.9918 11.9918 14.3915 14.3915 14.6323 14.6323 15.2796 15.2796 16.8527 16.8527 18.2540 18.2540 18.7684 18.7684 18.7696 18.7696 k = 0.0000 0.2755-0.0000 ( 1619 PWs) bands (ev): -69.5844 -69.5844 -37.9844 -37.9844 -25.8305 -25.8305 -25.7853 -25.7853 9.5942 9.5942 11.8105 11.8105 12.0467 12.0467 14.3894 14.3894 14.6392 14.6392 15.3066 15.3066 16.7566 16.7566 18.1600 18.1600 18.6575 18.6575 18.7276 18.7276 k = 0.0000 0.2857-0.0000 ( 1630 PWs) bands (ev): -69.5843 -69.5843 -37.9849 -37.9849 -25.8329 -25.8329 -25.7854 -25.7854 9.6929 9.6929 11.8636 11.8636 12.1008 12.1008 14.3875 14.3875 14.6461 14.6461 15.3343 15.3343 16.6603 16.6603 18.0656 18.0656 18.5499 18.5499 18.6815 18.6815 k = 0.0000 0.2959-0.0000 ( 1622 PWs) bands (ev): -69.5842 -69.5842 -37.9852 -37.9852 -25.8353 -25.8353 -25.7854 -25.7854 9.7932 9.7932 11.9178 11.9178 12.1535 12.1535 14.3860 14.3860 14.6532 14.6532 15.3626 15.3626 16.5641 16.5641 17.9726 17.9726 18.4456 18.4456 18.6301 18.6301 k = 0.0000 0.3061-0.0000 ( 1622 PWs) bands (ev): -69.5841 -69.5841 -37.9856 -37.9856 -25.8377 -25.8377 -25.7854 -25.7854 9.8945 9.8945 11.9730 11.9730 12.2049 12.2049 14.3844 14.3844 14.6605 14.6605 15.3911 15.3911 16.4683 16.4683 17.8818 17.8818 18.3450 18.3450 18.5726 18.5726 k = 0.0000 0.3163-0.0000 ( 1622 PWs) bands (ev): -69.5840 -69.5840 -37.9860 -37.9860 -25.8400 -25.8400 -25.7854 -25.7854 9.9968 9.9968 12.0289 12.0289 12.2544 12.2544 14.3830 14.3830 14.6679 14.6679 15.4196 15.4196 16.3734 16.3734 17.7939 17.7939 18.2481 18.2481 18.5091 18.5091 k = 0.0000 0.3265-0.0000 ( 1614 PWs) bands (ev): -69.5839 -69.5839 -37.9864 -37.9864 -25.8421 -25.8421 -25.7854 -25.7854 10.0995 10.0995 12.0854 12.0854 12.3019 12.3019 14.3816 14.3816 14.6757 14.6757 15.4477 15.4477 16.2797 16.2797 17.7095 17.7095 18.1550 18.1550 18.4401 18.4401 k = 0.0000 0.3367-0.0000 ( 1614 PWs) bands (ev): -69.5838 -69.5838 -37.9868 -37.9868 -25.8443 -25.8443 -25.7854 -25.7854 10.2024 10.2024 12.1423 12.1423 12.3469 12.3469 14.3802 14.3802 14.6836 14.6836 15.4749 15.4749 16.1879 16.1879 17.6290 17.6290 18.0660 18.0660 18.3663 18.3663 k = 0.0000 0.3469-0.0000 ( 1614 PWs) bands (ev): -69.5838 -69.5838 -37.9871 -37.9871 -25.8464 -25.8464 -25.7854 -25.7854 10.3049 10.3049 12.1994 12.1994 12.3892 12.3892 14.3786 14.3786 14.6918 14.6918 15.5006 15.5006 16.0988 16.0988 17.5528 17.5528 17.9812 17.9812 18.2885 18.2885 k = 0.0000 0.3571-0.0000 ( 1606 PWs) bands (ev): -69.5837 -69.5837 -37.9874 -37.9874 -25.8483 -25.8483 -25.7853 -25.7853 10.4066 10.4066 12.2563 12.2563 12.4285 12.4285 14.3770 14.3770 14.7003 14.7003 15.5238 15.5238 16.0135 16.0135 17.4810 17.4810 17.9007 17.9007 18.2081 18.2081 k = 0.0000 0.3673-0.0000 ( 1606 PWs) bands (ev): -69.5836 -69.5836 -37.9877 -37.9877 -25.8502 -25.8502 -25.7853 -25.7853 10.5070 10.5070 12.3128 12.3128 12.4646 12.4646 14.3751 14.3751 14.7090 14.7090 15.5425 15.5425 15.9340 15.9340 17.4141 17.4141 17.8247 17.8247 18.1260 18.1260 k = 0.0000 0.3776-0.0000 ( 1610 PWs) bands (ev): -69.5835 -69.5835 -37.9881 -37.9881 -25.8520 -25.8520 -25.7854 -25.7854 10.6054 10.6054 12.3685 12.3685 12.4971 12.4971 14.3729 14.3729 14.7179 14.7179 15.5535 15.5535 15.8639 15.8639 17.3523 17.3523 17.7534 17.7534 18.0436 18.0436 k = 0.0000 0.3878-0.0000 ( 1610 PWs) bands (ev): -69.5835 -69.5835 -37.9883 -37.9883 -25.8537 -25.8537 -25.7854 -25.7854 10.7013 10.7013 12.4230 12.4230 12.5261 12.5261 14.3705 14.3705 14.7270 14.7270 15.5507 15.5507 15.8094 15.8094 17.2957 17.2957 17.6869 17.6869 17.9619 17.9619 k = 0.0000 0.3980-0.0000 ( 1610 PWs) bands (ev): -69.5834 -69.5834 -37.9886 -37.9886 -25.8552 -25.8552 -25.7854 -25.7854 10.7939 10.7939 12.4759 12.4759 12.5513 12.5513 14.3677 14.3677 14.7364 14.7364 15.5277 15.5277 15.7772 15.7772 17.2446 17.2446 17.6254 17.6254 17.8821 17.8821 k = 0.0000 0.4082-0.0000 ( 1618 PWs) bands (ev): -69.5834 -69.5834 -37.9888 -37.9888 -25.8566 -25.8566 -25.7854 -25.7854 10.8824 10.8824 12.5266 12.5266 12.5728 12.5728 14.3647 14.3647 14.7459 14.7459 15.4854 15.4854 15.7665 15.7665 17.1991 17.1991 17.5691 17.5691 17.8054 17.8054 k = 0.0000 0.4184-0.0000 ( 1618 PWs) bands (ev): -69.5833 -69.5833 -37.9891 -37.9891 -25.8579 -25.8579 -25.7854 -25.7854 10.9660 10.9660 12.5746 12.5746 12.5905 12.5905 14.3614 14.3614 14.7557 14.7557 15.4324 15.4324 15.7694 15.7694 17.1593 17.1593 17.5181 17.5181 17.7327 17.7327 k = 0.0000 0.4286-0.0000 ( 1622 PWs) bands (ev): -69.5833 -69.5833 -37.9893 -37.9893 -25.8591 -25.8591 -25.7854 -25.7854 11.0435 11.0435 12.6046 12.6046 12.6192 12.6192 14.3581 14.3581 14.7655 14.7655 15.3763 15.3763 15.7785 15.7785 17.1253 17.1253 17.4726 17.4726 17.6651 17.6651 k = 0.0000 0.4388-0.0000 ( 1622 PWs) bands (ev): -69.5833 -69.5833 -37.9894 -37.9894 -25.8601 -25.8601 -25.7854 -25.7854 11.1141 11.1141 12.6153 12.6153 12.6599 12.6599 14.3548 14.3548 14.7754 14.7754 15.3216 15.3216 15.7897 15.7897 17.0968 17.0968 17.4328 17.4328 17.6036 17.6036 k = 0.0000 0.4490-0.0000 ( 1630 PWs) bands (ev): -69.5833 -69.5833 -37.9896 -37.9896 -25.8610 -25.8610 -25.7854 -25.7854 11.1765 11.1765 12.6231 12.6231 12.6959 12.6959 14.3515 14.3515 14.7852 14.7852 15.2710 15.2710 15.8009 15.8009 17.0739 17.0739 17.3988 17.3988 17.5491 17.5491 k = 0.0000 0.4592-0.0000 ( 1630 PWs) bands (ev): -69.5832 -69.5832 -37.9897 -37.9897 -25.8617 -25.8617 -25.7854 -25.7854 11.2297 11.2297 12.6284 12.6284 12.7265 12.7265 14.3486 14.3486 14.7946 14.7946 15.2264 15.2264 15.8111 15.8111 17.0561 17.0561 17.3708 17.3708 17.5026 17.5026 k = 0.0000 0.4694-0.0000 ( 1622 PWs) bands (ev): -69.5832 -69.5832 -37.9898 -37.9898 -25.8622 -25.8622 -25.7854 -25.7854 11.2725 11.2725 12.6317 12.6317 12.7512 12.7512 14.3463 14.3463 14.8033 14.8033 15.1894 15.1894 15.8197 15.8197 17.0430 17.0430 17.3489 17.3489 17.4651 17.4651 k = 0.0000 0.4796-0.0000 ( 1622 PWs) bands (ev): -69.5832 -69.5832 -37.9899 -37.9899 -25.8626 -25.8626 -25.7854 -25.7854 11.3039 11.3039 12.6336 12.6336 12.7693 12.7693 14.3444 14.3444 14.8104 14.8104 15.1614 15.1614 15.8260 15.8260 17.0342 17.0342 17.3331 17.3331 17.4375 17.4375 k = 0.0000 0.4898-0.0000 ( 1622 PWs) bands (ev): -69.5832 -69.5832 -37.9899 -37.9899 -25.8628 -25.8628 -25.7854 -25.7854 11.3232 11.3232 12.6345 12.6345 12.7803 12.7803 14.3432 14.3432 14.8152 14.8152 15.1439 15.1439 15.8298 15.8298 17.0292 17.0292 17.3237 17.3237 17.4206 17.4206 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): -69.5832 -69.5832 -37.9899 -37.9899 -25.8629 -25.8629 -25.7854 -25.7854 11.3296 11.3296 12.6348 12.6348 12.7840 12.7840 14.3428 14.3428 14.8169 14.8169 15.1379 15.1379 15.8311 15.8311 17.0275 17.0275 17.3205 17.3205 17.4149 17.4149 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): -69.5832 -69.5832 -37.9899 -37.9899 -25.8629 -25.8629 -25.7854 -25.7854 11.3296 11.3296 12.6348 12.6348 12.7840 12.7840 14.3428 14.3428 14.8169 14.8169 15.1379 15.1379 15.8311 15.8311 17.0275 17.0275 17.3205 17.3205 17.4149 17.4149 k = 0.0102 0.5000-0.0000 ( 1622 PWs) bands (ev): -69.5832 -69.5832 -37.9899 -37.9899 -25.8629 -25.8629 -25.7854 -25.7854 11.3300 11.3300 12.6339 12.6339 12.7840 12.7840 14.3397 14.3397 14.8083 14.8083 15.1511 15.1511 15.8205 15.8205 17.0337 17.0337 17.3155 17.3155 17.4290 17.4290 k = 0.0204 0.5000-0.0000 ( 1626 PWs) bands (ev): -69.5832 -69.5832 -37.9899 -37.9899 -25.8629 -25.8629 -25.7856 -25.7856 11.3311 11.3311 12.6313 12.6313 12.7841 12.7841 14.3307 14.3307 14.7861 14.7861 15.1867 15.1867 15.7900 15.7900 17.0484 17.0484 17.3117 17.3117 17.4627 17.4627 k = 0.0306 0.5000-0.0000 ( 1630 PWs) bands (ev): -69.5832 -69.5832 -37.9900 -37.9900 -25.8629 -25.8629 -25.7858 -25.7858 11.3328 11.3328 12.6268 12.6268 12.7846 12.7846 14.3169 14.3169 14.7562 14.7562 15.2372 15.2372 15.7436 15.7436 17.0616 17.0616 17.3253 17.3253 17.5065 17.5065 k = 0.0408 0.5000-0.0000 ( 1634 PWs) bands (ev): -69.5832 -69.5832 -37.9900 -37.9900 -25.8629 -25.8629 -25.7861 -25.7861 11.3350 11.3350 12.6200 12.6200 12.7856 12.7856 14.2996 14.2996 14.7232 14.7232 15.2950 15.2950 15.6875 15.6875 17.0640 17.0640 17.3646 17.3646 17.5571 17.5571 k = 0.0510 0.5000-0.0000 ( 1634 PWs) bands (ev): -69.5831 -69.5831 -37.9901 -37.9901 -25.8629 -25.8629 -25.7865 -25.7865 11.3373 11.3373 12.6108 12.6108 12.7875 12.7875 14.2805 14.2805 14.6890 14.6890 15.3502 15.3502 15.6321 15.6321 17.0553 17.0553 17.4273 17.4273 17.6137 17.6137 k = 0.0612 0.5000-0.0000 ( 1622 PWs) bands (ev): -69.5831 -69.5831 -37.9902 -37.9902 -25.8629 -25.8629 -25.7869 -25.7869 11.3396 11.3396 12.5988 12.5988 12.7908 12.7908 14.2612 14.2612 14.6549 14.6549 15.3797 15.3797 15.6014 15.6014 17.0397 17.0397 17.5048 17.5048 17.6769 17.6769 k = 0.0714 0.5000-0.0000 ( 1626 PWs) bands (ev): -69.5831 -69.5831 -37.9903 -37.9903 -25.8629 -25.8629 -25.7874 -25.7874 11.3415 11.3415 12.5836 12.5836 12.7958 12.7958 14.2427 14.2427 14.6214 14.6214 15.3530 15.3530 15.6268 15.6268 17.0212 17.0212 17.5888 17.5888 17.7485 17.7485 k = 0.0816 0.5000-0.0000 ( 1622 PWs) bands (ev): -69.5831 -69.5831 -37.9904 -37.9904 -25.8629 -25.8629 -25.7880 -25.7880 11.3426 11.3426 12.5649 12.5649 12.8032 12.8032 14.2256 14.2256 14.5895 14.5895 15.2866 15.2866 15.6927 15.6927 17.0021 17.0021 17.6723 17.6723 17.8314 17.8314 k = 0.0918 0.5000-0.0000 ( 1614 PWs) bands (ev): -69.5830 -69.5830 -37.9905 -37.9905 -25.8628 -25.8628 -25.7886 -25.7886 11.3424 11.3424 12.5426 12.5426 12.8135 12.8135 14.2099 14.2099 14.5603 14.5603 15.2055 15.2055 15.7747 15.7747 16.9835 16.9835 17.7508 17.7508 17.9271 17.9271 k = 0.1020 0.5000-0.0000 ( 1614 PWs) bands (ev): -69.5830 -69.5830 -37.9906 -37.9906 -25.8629 -25.8629 -25.7893 -25.7893 11.3407 11.3407 12.5165 12.5165 12.8272 12.8272 14.1945 14.1945 14.5358 14.5358 15.1188 15.1188 15.8639 15.8639 16.9662 16.9662 17.8239 17.8239 18.0342 18.0342 k = 0.1122 0.5000-0.0000 ( 1618 PWs) bands (ev): -69.5830 -69.5830 -37.9908 -37.9908 -25.8629 -25.8629 -25.7901 -25.7901 11.3369 11.3369 12.4867 12.4867 12.8450 12.8450 14.1775 14.1775 14.5184 14.5184 15.0299 15.0299 15.9572 15.9572 16.9506 16.9506 17.8930 17.8930 18.1496 18.1496 k = 0.1224 0.5000-0.0000 ( 1612 PWs) bands (ev): -69.5829 -69.5829 -37.9909 -37.9909 -25.8629 -25.8629 -25.7909 -25.7909 11.3308 11.3308 12.4533 12.4533 12.8673 12.8673 14.1568 14.1568 14.5107 14.5107 14.9406 14.9406 16.0529 16.0529 16.9372 16.9372 17.9597 17.9597 18.2708 18.2708 k = 0.1327 0.5000-0.0000 ( 1616 PWs) bands (ev): -69.5829 -69.5829 -37.9911 -37.9911 -25.8630 -25.8630 -25.7918 -25.7918 11.3221 11.3221 12.4165 12.4165 12.8944 12.8944 14.1306 14.1306 14.5144 14.5144 14.8522 14.8522 16.1498 16.1498 16.9263 16.9263 18.0246 18.0246 18.3960 18.3960 k = 0.1429 0.5000-0.0000 ( 1612 PWs) bands (ev): -69.5828 -69.5828 -37.9912 -37.9912 -25.8630 -25.8630 -25.7926 -25.7926 11.3105 11.3105 12.3767 12.3767 12.9269 12.9269 14.0983 14.0983 14.5297 14.5297 14.7659 14.7659 16.2470 16.2470 16.9185 16.9185 18.0880 18.0880 18.5241 18.5241 k = 0.1531 0.5000-0.0000 ( 1612 PWs) bands (ev): -69.5828 -69.5828 -37.9914 -37.9914 -25.8632 -25.8632 -25.7935 -25.7935 11.2960 11.2960 12.3342 12.3342 12.9647 12.9647 14.0606 14.0606 14.5525 14.5525 14.6856 14.6856 16.3431 16.3431 16.9147 16.9147 18.1498 18.1498 18.6543 18.6543 k = 0.1633 0.5000-0.0000 ( 1616 PWs) bands (ev): -69.5827 -69.5827 -37.9916 -37.9916 -25.8633 -25.8633 -25.7945 -25.7945 11.2785 11.2785 12.2894 12.2894 13.0080 13.0080 14.0184 14.0184 14.5535 14.5535 14.6399 14.6399 16.4362 16.4362 16.9166 16.9166 18.2099 18.2099 18.7859 18.7859 k = 0.1735 0.5000-0.0000 ( 1618 PWs) bands (ev): -69.5827 -69.5827 -37.9918 -37.9918 -25.8635 -25.8635 -25.7954 -25.7954 11.2582 11.2582 12.2428 12.2428 13.0566 13.0566 13.9731 13.9731 14.4913 14.4913 14.6694 14.6694 16.5232 16.5232 16.9268 16.9268 18.2681 18.2681 18.9185 18.9185 k = 0.1837 0.5000-0.0000 ( 1618 PWs) bands (ev): -69.5827 -69.5827 -37.9920 -37.9920 -25.8637 -25.8637 -25.7964 -25.7964 11.2351 11.2351 12.1948 12.1948 13.1102 13.1102 13.9259 13.9259 14.4146 14.4146 14.7243 14.7243 16.5993 16.5993 16.9498 16.9498 18.3240 18.3240 19.0518 19.0518 k = 0.1939 0.5000-0.0000 ( 1614 PWs) bands (ev): -69.5826 -69.5826 -37.9923 -37.9923 -25.8639 -25.8639 -25.7973 -25.7973 11.2096 11.2096 12.1457 12.1457 13.1684 13.1684 13.8779 13.8779 14.3379 14.3379 14.7898 14.7898 16.6589 16.6589 16.9912 16.9912 18.3773 18.3773 19.1853 19.1853 k = 0.2041 0.5000-0.0000 ( 1614 PWs) bands (ev): -69.5825 -69.5825 -37.9925 -37.9925 -25.8642 -25.8642 -25.7982 -25.7982 11.1817 11.1817 12.0960 12.0960 13.2297 13.2297 13.8303 13.8303 14.2634 14.2634 14.8631 14.8631 16.6996 16.6996 17.0529 17.0529 18.4274 18.4274 19.3189 19.3189 k = 0.2143 0.5000-0.0000 ( 1614 PWs) bands (ev): -69.5825 -69.5825 -37.9927 -37.9927 -25.8645 -25.8645 -25.7991 -25.7991 11.1520 11.1520 12.0459 12.0459 13.2924 13.2924 13.7850 13.7850 14.1924 14.1924 14.9429 14.9429 16.7245 16.7245 17.1316 17.1316 18.4741 18.4741 19.4521 19.4521 k = 0.2245 0.5000-0.0000 ( 1618 PWs) bands (ev): -69.5825 -69.5825 -37.9929 -37.9929 -25.8649 -25.8649 -25.8000 -25.8000 11.1206 11.1206 11.9959 11.9959 13.3526 13.3526 13.7447 13.7447 14.1263 14.1263 15.0284 15.0284 16.7393 16.7393 17.2211 17.2211 18.5168 18.5168 19.5848 19.5848 k = 0.2347 0.5000-0.0000 ( 1620 PWs) bands (ev): -69.5824 -69.5824 -37.9932 -37.9932 -25.8653 -25.8653 -25.8008 -25.8008 11.0878 11.0878 11.9461 11.9461 13.4033 13.4033 13.7144 13.7144 14.0674 14.0674 15.1189 15.1189 16.7484 16.7484 17.3169 17.3169 18.5552 18.5552 19.7166 19.7166 k = 0.2449 0.5000-0.0000 ( 1624 PWs) bands (ev): -69.5824 -69.5824 -37.9934 -37.9934 -25.8657 -25.8657 -25.8016 -25.8016 11.0540 11.0540 11.8968 11.8968 13.4329 13.4329 13.7007 13.7007 14.0211 14.0211 15.2138 15.2138 16.7544 16.7544 17.4161 17.4161 18.5888 18.5888 19.8473 19.8473 k = 0.2551 0.5000-0.0000 ( 1624 PWs) bands (ev): -69.5823 -69.5823 -37.9936 -37.9936 -25.8662 -25.8662 -25.8024 -25.8024 11.0195 11.0195 11.8483 11.8483 13.4335 13.4335 13.7011 13.7011 13.9977 13.9977 15.3127 15.3127 16.7587 16.7587 17.5170 17.5170 18.6173 18.6173 19.9766 19.9766 k = 0.2653 0.5000-0.0000 ( 1618 PWs) bands (ev): -69.5822 -69.5822 -37.9938 -37.9938 -25.8668 -25.8668 -25.8031 -25.8031 10.9846 10.9846 11.8007 11.8007 13.4110 13.4110 13.6956 13.6956 14.0115 14.0115 15.4149 15.4149 16.7622 16.7622 17.6183 17.6183 18.6403 18.6403 20.1042 20.1042 k = 0.2755 0.5000-0.0000 ( 1612 PWs) bands (ev): -69.5822 -69.5822 -37.9941 -37.9941 -25.8673 -25.8673 -25.8037 -25.8037 10.9495 10.9495 11.7543 11.7543 13.3763 13.3763 13.6710 13.6710 14.0647 14.0647 15.5201 15.5201 16.7652 16.7652 17.7193 17.7193 18.6574 18.6574 20.2298 20.2298 k = 0.2857 0.5000-0.0000 ( 1614 PWs) bands (ev): -69.5821 -69.5821 -37.9943 -37.9943 -25.8679 -25.8679 -25.8043 -25.8043 10.9145 10.9145 11.7090 11.7090 13.3362 13.3362 13.6325 13.6325 14.1452 14.1452 15.6275 15.6275 16.7680 16.7680 17.8192 17.8192 18.6682 18.6682 20.3531 20.3531 k = 0.2959 0.5000-0.0000 ( 1618 PWs) bands (ev): -69.5821 -69.5821 -37.9945 -37.9945 -25.8686 -25.8686 -25.8049 -25.8049 10.8798 10.8798 11.6652 11.6652 13.2939 13.2939 13.5878 13.5878 14.2422 14.2422 15.7368 15.7368 16.7707 16.7707 17.9174 17.9174 18.6727 18.6727 20.4738 20.4738 k = 0.3061 0.5000-0.0000 ( 1614 PWs) bands (ev): -69.5820 -69.5820 -37.9947 -37.9947 -25.8693 -25.8693 -25.8054 -25.8054 10.8456 10.8456 11.6230 11.6230 13.2511 13.2511 13.5411 13.5411 14.3495 14.3495 15.8474 15.8474 16.7735 16.7735 18.0131 18.0131 18.6708 18.6708 20.5915 20.5915 k = 0.3163 0.5000-0.0000 ( 1606 PWs) bands (ev): -69.5820 -69.5820 -37.9949 -37.9949 -25.8699 -25.8699 -25.8058 -25.8058 10.8122 10.8122 11.5823 11.5823 13.2089 13.2089 13.4945 13.4945 14.4643 14.4643 15.9587 15.9587 16.7766 16.7766 18.1053 18.1053 18.6629 18.6629 20.7059 20.7059 k = 0.3265 0.5000-0.0000 ( 1606 PWs) bands (ev): -69.5819 -69.5819 -37.9951 -37.9951 -25.8706 -25.8706 -25.8062 -25.8062 10.7797 10.7797 11.5435 11.5435 13.1677 13.1677 13.4490 13.4490 14.5846 14.5846 16.0701 16.0701 16.7797 16.7797 18.1926 18.1926 18.6496 18.6496 20.8166 20.8166 k = 0.3367 0.5000-0.0000 ( 1602 PWs) bands (ev): -69.5818 -69.5818 -37.9953 -37.9953 -25.8713 -25.8713 -25.8066 -25.8066 10.7483 10.7483 11.5064 11.5064 13.1279 13.1279 13.4052 13.4052 14.7095 14.7095 16.1810 16.1810 16.7831 16.7831 18.2723 18.2723 18.6334 18.6334 20.9231 20.9231 k = 0.3469 0.5000-0.0000 ( 1610 PWs) bands (ev): -69.5818 -69.5818 -37.9955 -37.9955 -25.8721 -25.8721 -25.8069 -25.8069 10.7180 10.7180 11.4712 11.4712 13.0898 13.0898 13.3634 13.3634 14.8381 14.8381 16.2905 16.2905 16.7868 16.7868 18.3380 18.3380 18.6197 18.6197 21.0249 21.0249 k = 0.3571 0.5000-0.0000 ( 1610 PWs) bands (ev): -69.5818 -69.5818 -37.9957 -37.9957 -25.8728 -25.8728 -25.8072 -25.8072 10.6892 10.6892 11.4381 11.4381 13.0535 13.0535 13.3239 13.3239 14.9699 14.9699 16.3977 16.3977 16.7911 16.7911 18.3778 18.3778 18.6204 18.6204 21.1215 21.1215 k = 0.3673 0.5000-0.0000 ( 1606 PWs) bands (ev): -69.5817 -69.5817 -37.9959 -37.9959 -25.8735 -25.8735 -25.8075 -25.8075 10.6618 10.6618 11.4070 11.4070 13.0193 13.0193 13.2868 13.2868 15.1044 15.1044 16.5013 16.5013 16.7965 16.7965 18.3793 18.3793 18.6476 18.6476 21.2122 21.2122 k = 0.3776 0.5000-0.0000 ( 1614 PWs) bands (ev): -69.5817 -69.5817 -37.9961 -37.9961 -25.8742 -25.8742 -25.8077 -25.8077 10.6360 10.6360 11.3779 11.3779 12.9873 12.9873 13.2522 13.2522 15.2410 15.2410 16.5990 16.5990 16.8044 16.8044 18.3478 18.3478 18.6956 18.6956 21.2957 21.2957 k = 0.3878 0.5000-0.0000 ( 1612 PWs) bands (ev): -69.5817 -69.5817 -37.9962 -37.9962 -25.8749 -25.8749 -25.8079 -25.8079 10.6120 10.6120 11.3510 11.3510 12.9575 12.9575 13.2202 13.2202 15.3794 15.3794 16.6853 16.6853 16.8193 16.8193 18.2963 18.2963 18.7517 18.7517 21.3703 21.3703 k = 0.3980 0.5000-0.0000 ( 1616 PWs) bands (ev): -69.5816 -69.5816 -37.9964 -37.9964 -25.8755 -25.8755 -25.8080 -25.8080 10.5897 10.5897 11.3263 11.3263 12.9300 12.9300 13.1908 13.1908 15.5191 15.5191 16.7452 16.7452 16.8549 16.8549 18.2326 18.2326 18.8083 18.8083 21.4312 21.4312 k = 0.4082 0.5000-0.0000 ( 1624 PWs) bands (ev): -69.5816 -69.5816 -37.9965 -37.9965 -25.8761 -25.8761 -25.8082 -25.8082 10.5694 10.5694 11.3039 11.3039 12.9050 12.9050 13.1641 13.1641 15.6595 15.6595 16.7716 16.7716 16.9171 16.9171 18.1606 18.1606 18.8619 18.8619 21.4685 21.4685 k = 0.4184 0.5000-0.0000 ( 1624 PWs) bands (ev): -69.5816 -69.5816 -37.9967 -37.9967 -25.8767 -25.8767 -25.8083 -25.8083 10.5510 10.5510 11.2837 11.2837 12.8824 12.8824 13.1401 13.1401 15.8002 15.8002 16.7826 16.7826 16.9859 16.9859 18.0830 18.0830 18.9111 18.9111 21.4754 21.4754 k = 0.4286 0.5000-0.0000 ( 1624 PWs) bands (ev): -69.5816 -69.5816 -37.9968 -37.9968 -25.8772 -25.8772 -25.8083 -25.8083 10.5346 10.5346 11.2658 11.2658 12.8624 12.8624 13.1189 13.1189 15.9405 15.9405 16.7888 16.7888 17.0487 17.0487 18.0024 18.0024 18.9549 18.9549 21.4644 21.4644 k = 0.4388 0.5000-0.0000 ( 1624 PWs) bands (ev): -69.5816 -69.5816 -37.9969 -37.9969 -25.8776 -25.8776 -25.8084 -25.8084 10.5203 10.5203 11.2503 11.2503 12.8450 12.8450 13.1005 13.1005 16.0795 16.0795 16.7930 16.7930 17.0995 17.0995 17.9219 17.9219 18.9929 18.9929 21.4480 21.4480 k = 0.4490 0.5000-0.0000 ( 1624 PWs) bands (ev): -69.5815 -69.5815 -37.9969 -37.9969 -25.8780 -25.8780 -25.8085 -25.8085 10.5081 10.5081 11.2371 11.2371 12.8302 12.8302 13.0849 13.0849 16.2161 16.2161 16.7965 16.7965 17.1332 17.1332 17.8460 17.8460 19.0249 19.0249 21.4313 21.4313 k = 0.4592 0.5000-0.0000 ( 1624 PWs) bands (ev): -69.5815 -69.5815 -37.9970 -37.9970 -25.8783 -25.8783 -25.8085 -25.8085 10.4981 10.4981 11.2263 11.2263 12.8181 12.8181 13.0721 13.0721 16.3489 16.3489 16.7997 16.7997 17.1446 17.1446 17.7801 17.7801 19.0507 19.0507 21.4164 21.4164 k = 0.4694 0.5000-0.0000 ( 1628 PWs) bands (ev): -69.5815 -69.5815 -37.9971 -37.9971 -25.8786 -25.8786 -25.8085 -25.8085 10.4902 10.4902 11.2179 11.2179 12.8086 12.8086 13.0621 13.0621 16.4750 16.4750 16.8036 16.8036 17.1294 17.1294 17.7296 17.7296 19.0706 19.0706 21.4041 21.4041 k = 0.4796 0.5000-0.0000 ( 1628 PWs) bands (ev): -69.5815 -69.5815 -37.9971 -37.9971 -25.8787 -25.8787 -25.8086 -25.8086 10.4846 10.4846 11.2118 11.2118 12.8018 12.8018 13.0549 13.0549 16.5885 16.5885 16.8102 16.8102 17.0884 17.0884 17.6969 17.6969 19.0846 19.0846 21.3951 21.3951 k = 0.4898 0.5000-0.0000 ( 1628 PWs) bands (ev): -69.5815 -69.5815 -37.9971 -37.9971 -25.8789 -25.8789 -25.8086 -25.8086 10.4813 10.4813 11.2082 11.2082 12.7978 12.7978 13.0507 13.0507 16.6743 16.6743 16.8245 16.8245 17.0334 17.0334 17.6799 17.6799 19.0930 19.0930 21.3895 21.3895 k = 0.5000 0.5000-0.0000 ( 1628 PWs) bands (ev): -69.5815 -69.5815 -37.9971 -37.9971 -25.8789 -25.8789 -25.8086 -25.8086 10.4801 10.4801 11.2070 11.2070 12.7964 12.7964 13.0492 13.0492 16.7063 16.7063 16.8394 16.8394 17.0009 17.0009 17.6748 17.6748 19.0958 19.0958 21.3877 21.3877 k = 0.5000 0.5000-0.0000 ( 1628 PWs) bands (ev): -69.5815 -69.5815 -37.9971 -37.9971 -25.8789 -25.8789 -25.8086 -25.8086 10.4801 10.4801 11.2070 11.2070 12.7964 12.7964 13.0492 13.0492 16.7063 16.7063 16.8394 16.8394 17.0009 17.0009 17.6748 17.6748 19.0958 19.0958 21.3877 21.3877 k = 0.4928 0.4928-0.0000 ( 1628 PWs) bands (ev): -69.5815 -69.5815 -37.9971 -37.9971 -25.8789 -25.8789 -25.8086 -25.8086 10.4813 10.4813 11.2082 11.2082 12.7978 12.7978 13.0507 13.0507 16.6757 16.6757 16.8211 16.8211 17.0355 17.0355 17.6798 17.6798 19.0930 19.0930 21.3896 21.3896 k = 0.4855 0.4855-0.0000 ( 1628 PWs) bands (ev): -69.5815 -69.5815 -37.9971 -37.9971 -25.8787 -25.8787 -25.8086 -25.8086 10.4846 10.4846 11.2119 11.2119 12.8019 12.8019 13.0550 13.0550 16.5994 16.5994 16.7847 16.7847 17.1053 17.1053 17.6942 17.6942 19.0847 19.0847 21.3952 21.3952 k = 0.4783 0.4783-0.0000 ( 1628 PWs) bands (ev): -69.5815 -69.5815 -37.9971 -37.9971 -25.8786 -25.8786 -25.8085 -25.8085 10.4902 10.4902 11.2180 11.2180 12.8086 12.8086 13.0623 13.0623 16.5012 16.5012 16.7371 16.7371 17.1810 17.1810 17.7173 17.7173 19.0709 19.0709 21.4045 21.4045 k = 0.4710 0.4710-0.0000 ( 1624 PWs) bands (ev): -69.5815 -69.5815 -37.9970 -37.9970 -25.8783 -25.8783 -25.8085 -25.8085 10.4980 10.4980 11.2265 11.2265 12.8179 12.8179 13.0726 13.0726 16.3927 16.3927 16.6775 16.6775 17.2528 17.2528 17.7479 17.7479 19.0519 19.0519 21.4174 21.4174 k = 0.4638 0.4638-0.0000 ( 1624 PWs) bands (ev): -69.5815 -69.5815 -37.9969 -37.9969 -25.8780 -25.8780 -25.8085 -25.8085 10.5076 10.5076 11.2375 11.2375 12.8296 12.8296 13.0861 13.0861 16.2783 16.2783 16.6068 16.6068 17.3168 17.3168 17.7853 17.7853 19.0278 19.0278 21.4336 21.4336 k = 0.4565 0.4565-0.0000 ( 1624 PWs) bands (ev): -69.5816 -69.5816 -37.9968 -37.9968 -25.8776 -25.8776 -25.8084 -25.8084 10.5192 10.5192 11.2508 11.2508 12.8436 12.8436 13.1028 13.1028 16.1601 16.1601 16.5264 16.5264 17.3707 17.3707 17.8286 17.8286 18.9990 18.9990 21.4520 21.4520 k = 0.4493 0.4493-0.0000 ( 1624 PWs) bands (ev): -69.5816 -69.5816 -37.9967 -37.9967 -25.8771 -25.8771 -25.8084 -25.8084 10.5324 10.5324 11.2666 11.2666 12.8596 12.8596 13.1229 13.1229 16.0393 16.0393 16.4380 16.4380 17.4135 17.4135 17.8766 17.8766 18.9660 18.9660 21.4690 21.4690 k = 0.4420 0.4420-0.0000 ( 1628 PWs) bands (ev): -69.5816 -69.5816 -37.9966 -37.9966 -25.8766 -25.8766 -25.8083 -25.8083 10.5470 10.5470 11.2848 11.2848 12.8774 12.8774 13.1465 13.1465 15.9165 15.9165 16.3427 16.3427 17.4453 17.4453 17.9278 17.9278 18.9291 18.9291 21.4674 21.4674 k = 0.4348 0.4348-0.0000 ( 1624 PWs) bands (ev): -69.5816 -69.5816 -37.9965 -37.9965 -25.8759 -25.8759 -25.8082 -25.8082 10.5629 10.5629 11.3054 11.3054 12.8969 12.8969 13.1738 13.1738 15.7924 15.7924 16.2418 16.2418 17.4669 17.4669 17.9805 17.9805 18.8891 18.8891 21.4167 21.4167 k = 0.4275 0.4275-0.0000 ( 1624 PWs) bands (ev): -69.5817 -69.5817 -37.9964 -37.9964 -25.8752 -25.8752 -25.8081 -25.8081 10.5796 10.5796 11.3284 11.3284 12.9178 12.9178 13.2049 13.2049 15.6673 15.6673 16.1364 16.1364 17.4793 17.4793 18.0327 18.0327 18.8466 18.8466 21.3342 21.3342 k = 0.4203 0.4203-0.0000 ( 1622 PWs) bands (ev): -69.5817 -69.5817 -37.9962 -37.9962 -25.8745 -25.8745 -25.8080 -25.8080 10.5969 10.5969 11.3536 11.3536 12.9401 12.9401 13.2398 13.2398 15.5416 15.5416 16.0275 16.0275 17.4836 17.4836 18.0827 18.0827 18.8025 18.8025 21.2380 21.2380 k = 0.4130 0.4130-0.0000 ( 1618 PWs) bands (ev): -69.5817 -69.5817 -37.9960 -37.9960 -25.8736 -25.8736 -25.8079 -25.8079 10.6144 10.6144 11.3811 11.3811 12.9635 12.9635 13.2786 13.2786 15.4156 15.4156 15.9159 15.9159 17.4808 17.4808 18.1288 18.1288 18.7579 18.7579 21.1332 21.1332 k = 0.4058 0.4058-0.0000 ( 1620 PWs) bands (ev): -69.5818 -69.5818 -37.9958 -37.9958 -25.8727 -25.8727 -25.8078 -25.8078 10.6317 10.6317 11.4108 11.4108 12.9879 12.9879 13.3211 13.3211 15.2897 15.2897 15.8024 15.8024 17.4718 17.4718 18.1696 18.1696 18.7140 18.7140 21.0219 21.0219 k = 0.3986 0.3986-0.0000 ( 1620 PWs) bands (ev): -69.5818 -69.5818 -37.9956 -37.9956 -25.8718 -25.8718 -25.8077 -25.8077 10.6484 10.6484 11.4424 11.4424 13.0132 13.0132 13.3673 13.3673 15.1642 15.1642 15.6880 15.6880 17.4573 17.4573 18.2035 18.2035 18.6724 18.6724 20.9053 20.9053 k = 0.3913 0.3913-0.0000 ( 1612 PWs) bands (ev): -69.5819 -69.5819 -37.9954 -37.9954 -25.8707 -25.8707 -25.8075 -25.8075 10.6641 10.6641 11.4760 11.4760 13.0396 13.0396 13.4169 13.4169 15.0395 15.0395 15.5735 15.5735 17.4381 17.4381 18.2287 18.2287 18.6352 18.6352 20.7843 20.7843 k = 0.3841 0.3841-0.0000 ( 1612 PWs) bands (ev): -69.5819 -69.5819 -37.9952 -37.9952 -25.8696 -25.8696 -25.8073 -25.8073 10.6783 10.6783 11.5112 11.5112 13.0668 13.0668 13.4696 13.4696 14.9158 14.9158 15.4596 15.4596 17.4147 17.4147 18.2434 18.2434 18.6045 18.6045 20.6599 20.6599 k = 0.3768 0.3768-0.0000 ( 1606 PWs) bands (ev): -69.5820 -69.5820 -37.9949 -37.9949 -25.8684 -25.8684 -25.8071 -25.8071 10.6907 10.6907 11.5479 11.5479 13.0950 13.0950 13.5250 13.5250 14.7938 14.7938 15.3471 15.3471 17.3881 17.3881 18.2459 18.2459 18.5824 18.5824 20.5327 20.5327 k = 0.3696 0.3696-0.0000 ( 1614 PWs) bands (ev): -69.5820 -69.5820 -37.9947 -37.9947 -25.8672 -25.8672 -25.8069 -25.8069 10.7005 10.7005 11.5856 11.5856 13.1240 13.1240 13.5824 13.5824 14.6740 14.6740 15.2369 15.2369 17.3588 17.3588 18.2361 18.2361 18.5693 18.5693 20.4035 20.4035 k = 0.3623 0.3623-0.0000 ( 1614 PWs) bands (ev): -69.5821 -69.5821 -37.9944 -37.9944 -25.8659 -25.8659 -25.8067 -25.8067 10.7074 10.7074 11.6241 11.6241 13.1539 13.1539 13.6408 13.6408 14.5571 14.5571 15.1300 15.1300 17.3276 17.3276 18.2159 18.2159 18.5640 18.5640 20.2729 20.2729 k = 0.3551 0.3551-0.0000 ( 1614 PWs) bands (ev): -69.5822 -69.5822 -37.9941 -37.9941 -25.8645 -25.8645 -25.8065 -25.8065 10.7110 10.7110 11.6630 11.6630 13.1848 13.1848 13.6987 13.6987 14.4447 14.4447 15.0273 15.0273 17.2954 17.2954 18.1882 18.1882 18.5641 18.5641 20.1416 20.1416 k = 0.3478 0.3478-0.0000 ( 1614 PWs) bands (ev): -69.5822 -69.5822 -37.9938 -37.9938 -25.8631 -25.8631 -25.8062 -25.8062 10.7107 10.7107 11.7017 11.7017 13.2164 13.2164 13.7529 13.7529 14.3393 14.3393 14.9300 14.9300 17.2631 17.2631 18.1560 18.1560 18.5669 18.5669 20.0102 20.0102 k = 0.3406 0.3406-0.0000 ( 1614 PWs) bands (ev): -69.5823 -69.5823 -37.9935 -37.9935 -25.8616 -25.8616 -25.8059 -25.8059 10.7060 10.7060 11.7398 11.7398 13.2489 13.2489 13.7970 13.7970 14.2467 14.2467 14.8397 14.8397 17.2315 17.2315 18.1214 18.1214 18.5706 18.5706 19.8793 19.8793 k = 0.3333 0.3333-0.0000 ( 1614 PWs) bands (ev): -69.5824 -69.5824 -37.9931 -37.9931 -25.8600 -25.8600 -25.8056 -25.8056 10.6966 10.6966 11.7766 11.7766 13.2819 13.2819 13.8180 13.8180 14.1788 14.1788 14.7580 14.7580 17.2016 17.2016 18.0860 18.0860 18.5742 18.5742 19.7496 19.7496 k = 0.3261 0.3261-0.0000 ( 1614 PWs) bands (ev): -69.5825 -69.5825 -37.9928 -37.9928 -25.8584 -25.8584 -25.8053 -25.8053 10.6820 10.6820 11.8116 11.8116 13.3152 13.3152 13.7986 13.7986 14.1508 14.1508 14.6879 14.6879 17.1743 17.1743 18.0507 18.0507 18.5770 18.5770 19.6215 19.6215 k = 0.3188 0.3188-0.0000 ( 1614 PWs) bands (ev): -69.5825 -69.5825 -37.9924 -37.9924 -25.8567 -25.8567 -25.8049 -25.8049 10.6618 10.6618 11.8441 11.8441 13.3482 13.3482 13.7399 13.7399 14.1587 14.1587 14.6334 14.6334 17.1506 17.1506 18.0163 18.0163 18.5786 18.5786 19.4957 19.4957 k = 0.3116 0.3116-0.0000 ( 1614 PWs) bands (ev): -69.5826 -69.5826 -37.9921 -37.9921 -25.8550 -25.8550 -25.8046 -25.8046 10.6358 10.6358 11.8737 11.8737 13.3790 13.3790 13.6614 13.6614 14.1792 14.1792 14.6002 14.6002 17.1314 17.1314 17.9831 17.9831 18.5790 18.5790 19.3728 19.3728 k = 0.3043 0.3043-0.0000 ( 1608 PWs) bands (ev): -69.5827 -69.5827 -37.9917 -37.9917 -25.8531 -25.8531 -25.8042 -25.8042 10.6037 10.6037 11.8996 11.8996 13.4010 13.4010 13.5829 13.5829 14.1934 14.1934 14.5945 14.5945 17.1175 17.1175 17.9515 17.9515 18.5781 18.5781 19.2535 19.2535 k = 0.2971 0.2971-0.0000 ( 1610 PWs) bands (ev): -69.5828 -69.5828 -37.9913 -37.9913 -25.8513 -25.8513 -25.8038 -25.8038 10.5656 10.5656 11.9215 11.9215 13.3889 13.3889 13.5352 13.5352 14.1941 14.1941 14.6172 14.6172 17.1097 17.1097 17.9217 17.9217 18.5759 18.5759 19.1385 19.1385 k = 0.2899 0.2899-0.0000 ( 1610 PWs) bands (ev): -69.5829 -69.5829 -37.9909 -37.9909 -25.8494 -25.8494 -25.8033 -25.8033 10.5213 10.5213 11.9388 11.9388 13.3226 13.3226 13.5411 13.5411 14.1842 14.1842 14.6625 14.6625 17.1087 17.1087 17.8939 17.8939 18.5726 18.5726 19.0285 19.0285 k = 0.2826 0.2826-0.0000 ( 1610 PWs) bands (ev): -69.5830 -69.5830 -37.9904 -37.9904 -25.8475 -25.8475 -25.8029 -25.8029 10.4709 10.4709 11.9514 11.9514 13.2339 13.2339 13.5697 13.5697 14.1704 14.1704 14.7222 14.7222 17.1153 17.1153 17.8682 17.8682 18.5682 18.5682 18.9244 18.9244 k = 0.2754 0.2754-0.0000 ( 1614 PWs) bands (ev): -69.5831 -69.5831 -37.9900 -37.9900 -25.8455 -25.8455 -25.8024 -25.8024 10.4148 10.4148 11.9591 11.9591 13.1396 13.1396 13.6045 13.6045 14.1575 14.1575 14.7898 14.7898 17.1299 17.1299 17.8449 17.8449 18.5627 18.5627 18.8271 18.8271 k = 0.2681 0.2681-0.0000 ( 1616 PWs) bands (ev): -69.5832 -69.5832 -37.9896 -37.9896 -25.8435 -25.8435 -25.8019 -25.8019 10.3531 10.3531 11.9617 11.9617 13.0441 13.0441 13.6417 13.6417 14.1484 14.1484 14.8611 14.8611 17.1530 17.1530 17.8241 17.8241 18.5558 18.5558 18.7380 18.7380 k = 0.2609 0.2609-0.0000 ( 1612 PWs) bands (ev): -69.5833 -69.5833 -37.9891 -37.9891 -25.8414 -25.8414 -25.8014 -25.8014 10.2864 10.2864 11.9593 11.9593 12.9489 12.9489 13.6797 13.6797 14.1443 14.1443 14.9333 14.9333 17.1848 17.1848 17.8060 17.8060 18.5467 18.5467 18.6592 18.6592 k = 0.2536 0.2536-0.0000 ( 1608 PWs) bands (ev): -69.5834 -69.5834 -37.9887 -37.9887 -25.8393 -25.8393 -25.8009 -25.8009 10.2151 10.2151 11.9521 11.9521 12.8545 12.8545 13.7179 13.7179 14.1455 14.1455 15.0043 15.0043 17.2255 17.2255 17.7907 17.7907 18.5310 18.5310 18.5960 18.5960 k = 0.2464 0.2464-0.0000 ( 1608 PWs) bands (ev): -69.5835 -69.5835 -37.9882 -37.9882 -25.8372 -25.8372 -25.8003 -25.8003 10.1398 10.1398 11.9404 11.9404 12.7613 12.7613 13.7560 13.7560 14.1519 14.1519 15.0723 15.0723 17.2750 17.2750 17.7785 17.7785 18.4980 18.4980 18.5605 18.5605 k = 0.2391 0.2391-0.0000 ( 1612 PWs) bands (ev): -69.5836 -69.5836 -37.9877 -37.9877 -25.8351 -25.8351 -25.7998 -25.7998 10.0609 10.0609 11.9244 11.9244 12.6696 12.6696 13.7937 13.7937 14.1630 14.1630 15.1359 15.1359 17.3331 17.3331 17.7697 17.7697 18.4565 18.4565 18.5453 18.5453 k = 0.2319 0.2319-0.0000 ( 1618 PWs) bands (ev): -69.5837 -69.5837 -37.9873 -37.9873 -25.8330 -25.8330 -25.7992 -25.7992 9.9791 9.9791 11.9044 11.9044 12.5795 12.5795 13.8309 13.8309 14.1782 14.1782 15.1937 15.1937 17.3993 17.3993 17.7646 17.7646 18.4225 18.4225 18.5357 18.5357 k = 0.2246 0.2246-0.0000 ( 1610 PWs) bands (ev): -69.5838 -69.5838 -37.9868 -37.9868 -25.8307 -25.8307 -25.7986 -25.7986 9.8949 9.8949 11.8809 11.8809 12.4913 12.4913 13.8674 13.8674 14.1969 14.1969 15.2447 15.2447 17.4728 17.4728 17.7638 17.7638 18.4013 18.4013 18.5279 18.5279 k = 0.2174 0.2174-0.0000 ( 1612 PWs) bands (ev): -69.5839 -69.5839 -37.9863 -37.9863 -25.8286 -25.8286 -25.7980 -25.7980 9.8090 9.8090 11.8543 11.8543 12.4050 12.4050 13.9034 13.9034 14.2182 14.2182 15.2876 15.2876 17.5520 17.5520 17.7684 17.7684 18.3949 18.3949 18.5209 18.5209 k = 0.2101 0.2101-0.0000 ( 1616 PWs) bands (ev): -69.5840 -69.5840 -37.9859 -37.9859 -25.8264 -25.8264 -25.7975 -25.7975 9.7218 9.7218 11.8248 11.8248 12.3207 12.3207 13.9386 13.9386 14.2414 14.2414 15.3219 15.3219 17.6323 17.6323 17.7822 17.7822 18.4045 18.4045 18.5147 18.5147 k = 0.2029 0.2029-0.0000 ( 1624 PWs) bands (ev): -69.5841 -69.5841 -37.9854 -37.9854 -25.8243 -25.8243 -25.7969 -25.7969 9.6338 9.6338 11.7930 11.7930 12.2386 12.2386 13.9732 13.9732 14.2659 14.2659 15.3471 15.3471 17.7007 17.7007 17.8177 17.8177 18.4308 18.4308 18.5093 18.5093 k = 0.1957 0.1957-0.0000 ( 1624 PWs) bands (ev): -69.5842 -69.5842 -37.9849 -37.9849 -25.8221 -25.8221 -25.7963 -25.7963 9.5457 9.5457 11.7592 11.7592 12.1587 12.1587 14.0070 14.0070 14.2911 14.2911 15.3633 15.3633 17.7411 17.7411 17.8899 17.8899 18.4738 18.4738 18.5054 18.5054 k = 0.1884 0.1884-0.0000 ( 1620 PWs) bands (ev): -69.5843 -69.5843 -37.9844 -37.9844 -25.8199 -25.8199 -25.7956 -25.7956 9.4578 9.4578 11.7237 11.7237 12.0812 12.0812 14.0402 14.0402 14.3165 14.3165 15.3707 15.3707 17.7649 17.7649 17.9863 17.9863 18.5010 18.5010 18.5357 18.5357 k = 0.1812 0.1812-0.0000 ( 1614 PWs) bands (ev): -69.5844 -69.5844 -37.9840 -37.9840 -25.8177 -25.8177 -25.7950 -25.7950 9.3705 9.3705 11.6871 11.6871 12.0061 12.0061 14.0726 14.0726 14.3417 14.3417 15.3699 15.3699 17.7850 17.7850 18.0922 18.0922 18.5017 18.5017 18.6115 18.6115 k = 0.1739 0.1739-0.0000 ( 1614 PWs) bands (ev): -69.5845 -69.5845 -37.9835 -37.9835 -25.8156 -25.8156 -25.7944 -25.7944 9.2842 9.2842 11.6494 11.6494 11.9334 11.9334 14.1041 14.1041 14.3661 14.3661 15.3618 15.3618 17.8055 17.8055 18.2002 18.2002 18.5078 18.5078 18.7027 18.7027 k = 0.1667 0.1667-0.0000 ( 1614 PWs) bands (ev): -69.5846 -69.5846 -37.9830 -37.9830 -25.8135 -25.8135 -25.7938 -25.7938 9.1993 9.1993 11.6111 11.6111 11.8633 11.8633 14.1346 14.1346 14.3895 14.3895 15.3474 15.3474 17.8275 17.8275 18.3001 18.3001 18.5285 18.5285 18.8073 18.8073 k = 0.1594 0.1594-0.0000 ( 1626 PWs) bands (ev): -69.5848 -69.5848 -37.9826 -37.9826 -25.8115 -25.8115 -25.7932 -25.7932 9.1161 9.1161 11.5724 11.5724 11.7957 11.7957 14.1641 14.1641 14.4115 14.4115 15.3278 15.3278 17.8515 17.8515 18.3714 18.3714 18.5833 18.5833 18.9238 18.9238 k = 0.1522 0.1522-0.0000 ( 1622 PWs) bands (ev): -69.5848 -69.5848 -37.9822 -37.9822 -25.8094 -25.8094 -25.7926 -25.7926 9.0349 9.0349 11.5338 11.5338 11.7308 11.7308 14.1926 14.1926 14.4321 14.4321 15.3044 15.3044 17.8775 17.8775 18.4045 18.4045 18.6818 18.6818 19.0504 19.0504 k = 0.1449 0.1449-0.0000 ( 1623 PWs) bands (ev): -69.5849 -69.5849 -37.9817 -37.9817 -25.8075 -25.8075 -25.7920 -25.7920 8.9560 8.9560 11.4953 11.4953 11.6687 11.6687 14.2198 14.2198 14.4509 14.4509 15.2781 15.2781 17.9055 17.9055 18.4166 18.4166 18.8062 18.8062 19.1854 19.1854 k = 0.1377 0.1377-0.0000 ( 1623 PWs) bands (ev): -69.5850 -69.5850 -37.9813 -37.9813 -25.8055 -25.8055 -25.7914 -25.7914 8.8796 8.8796 11.4574 11.4574 11.6093 11.6093 14.2458 14.2458 14.4677 14.4677 15.2501 15.2501 17.9353 17.9353 18.4208 18.4208 18.9433 18.9433 19.3273 19.3273 k = 0.1304 0.1304-0.0000 ( 1623 PWs) bands (ev): -69.5851 -69.5851 -37.9809 -37.9809 -25.8037 -25.8037 -25.7909 -25.7909 8.8060 8.8060 11.4202 11.4202 11.5527 11.5527 14.2705 14.2705 14.4825 14.4825 15.2212 15.2212 17.9666 17.9666 18.4217 18.4217 19.0877 19.0877 19.4747 19.4747 k = 0.1232 0.1232-0.0000 ( 1623 PWs) bands (ev): -69.5852 -69.5852 -37.9805 -37.9805 -25.8018 -25.8018 -25.7903 -25.7903 8.7354 8.7354 11.3839 11.3839 11.4989 11.4989 14.2937 14.2937 14.4950 14.4950 15.1925 15.1925 17.9993 17.9993 18.4212 18.4212 19.2374 19.2374 19.6262 19.6262 k = 0.1159 0.1159-0.0000 ( 1631 PWs) bands (ev): -69.5853 -69.5853 -37.9801 -37.9801 -25.8001 -25.8001 -25.7898 -25.7898 8.6678 8.6678 11.3488 11.3488 11.4479 11.4479 14.3154 14.3154 14.5052 14.5052 15.1645 15.1645 18.0328 18.0328 18.4200 18.4200 19.3908 19.3908 19.7806 19.7806 k = 0.1087 0.1087-0.0000 ( 1631 PWs) bands (ev): -69.5854 -69.5854 -37.9798 -37.9798 -25.7985 -25.7985 -25.7893 -25.7893 8.6037 8.6037 11.3149 11.3149 11.4000 11.4000 14.3357 14.3357 14.5129 14.5129 15.1382 15.1382 18.0670 18.0670 18.4186 18.4186 19.5472 19.5472 19.9366 19.9366 k = 0.1014 0.1014-0.0000 ( 1627 PWs) bands (ev): -69.5855 -69.5855 -37.9794 -37.9794 -25.7969 -25.7969 -25.7889 -25.7889 8.5430 8.5430 11.2826 11.2826 11.3550 11.3550 14.3544 14.3544 14.5182 14.5182 15.1140 15.1140 18.1015 18.1015 18.4171 18.4171 19.7056 19.7056 20.0931 20.0931 k = 0.0942 0.0942-0.0000 ( 1629 PWs) bands (ev): -69.5855 -69.5855 -37.9791 -37.9791 -25.7954 -25.7954 -25.7884 -25.7884 8.4859 8.4859 11.2519 11.2519 11.3129 11.3129 14.3715 14.3715 14.5210 14.5210 15.0922 15.0922 18.1358 18.1358 18.4156 18.4156 19.8651 19.8651 20.2488 20.2488 k = 0.0870 0.0870-0.0000 ( 1623 PWs) bands (ev): -69.5856 -69.5856 -37.9788 -37.9788 -25.7939 -25.7939 -25.7879 -25.7879 8.4326 8.4326 11.2229 11.2229 11.2739 11.2739 14.3871 14.3871 14.5215 14.5215 15.0733 15.0733 18.1696 18.1696 18.4142 18.4142 20.0251 20.0251 20.4024 20.4024 k = 0.0797 0.0797-0.0000 ( 1627 PWs) bands (ev): -69.5857 -69.5857 -37.9785 -37.9785 -25.7926 -25.7926 -25.7876 -25.7876 8.3831 8.3831 11.1958 11.1958 11.2379 11.2379 14.4011 14.4011 14.5198 14.5198 15.0571 15.0571 18.2025 18.2025 18.4129 18.4129 20.1845 20.1845 20.5524 20.5524 k = 0.0725 0.0725-0.0000 ( 1623 PWs) bands (ev): -69.5857 -69.5857 -37.9782 -37.9782 -25.7914 -25.7914 -25.7872 -25.7872 8.3376 8.3376 11.1708 11.1708 11.2049 11.2049 14.4137 14.4137 14.5163 14.5163 15.0438 15.0438 18.2341 18.2341 18.4117 18.4117 20.3422 20.3422 20.6972 20.6972 k = 0.0652 0.0652-0.0000 ( 1623 PWs) bands (ev): -69.5858 -69.5858 -37.9780 -37.9780 -25.7903 -25.7903 -25.7868 -25.7868 8.2962 8.2962 11.1478 11.1478 11.1751 11.1751 14.4248 14.4248 14.5113 14.5113 15.0331 15.0331 18.2640 18.2640 18.4106 18.4106 20.4971 20.4971 20.8348 20.8348 k = 0.0580 0.0580-0.0000 ( 1619 PWs) bands (ev): -69.5858 -69.5858 -37.9778 -37.9778 -25.7892 -25.7892 -25.7865 -25.7865 8.2589 8.2589 11.1271 11.1271 11.1483 11.1483 14.4346 14.4346 14.5054 14.5054 15.0247 15.0247 18.2918 18.2918 18.4097 18.4097 20.6476 20.6476 20.9628 20.9628 k = 0.0507 0.0507-0.0000 ( 1609 PWs) bands (ev): -69.5858 -69.5858 -37.9775 -37.9775 -25.7883 -25.7883 -25.7862 -25.7862 8.2259 8.2259 11.1086 11.1086 11.1247 11.1247 14.4430 14.4430 14.4989 14.4989 15.0184 15.0184 18.3173 18.3173 18.4090 18.4090 20.7919 20.7919 21.0782 21.0782 k = 0.0435 0.0435-0.0000 ( 1611 PWs) bands (ev): -69.5859 -69.5859 -37.9774 -37.9774 -25.7875 -25.7875 -25.7860 -25.7860 8.1971 8.1971 11.0924 11.0924 11.1041 11.1041 14.4501 14.4501 14.4922 14.4922 15.0137 15.0137 18.3400 18.3400 18.4083 18.4083 20.9280 20.9280 21.1772 21.1772 k = 0.0362 0.0362-0.0000 ( 1611 PWs) bands (ev): -69.5859 -69.5859 -37.9772 -37.9772 -25.7868 -25.7868 -25.7858 -25.7858 8.1727 8.1727 11.0787 11.0787 11.0867 11.0867 14.4560 14.4560 14.4859 14.4859 15.0104 15.0104 18.3598 18.3598 18.4077 18.4077 21.0529 21.0529 21.2561 21.2561 k = 0.0290 0.0290-0.0000 ( 1611 PWs) bands (ev): -69.5859 -69.5859 -37.9771 -37.9771 -25.7863 -25.7863 -25.7856 -25.7856 8.1526 8.1526 11.0673 11.0673 11.0724 11.0724 14.4607 14.4607 14.4802 14.4802 15.0081 15.0081 18.3763 18.3763 18.4072 18.4072 21.1635 21.1635 21.3128 21.3128 k = 0.0217 0.0217-0.0000 ( 1611 PWs) bands (ev): -69.5859 -69.5859 -37.9770 -37.9770 -25.7858 -25.7858 -25.7855 -25.7855 8.1370 8.1370 11.0585 11.0585 11.0613 11.0613 14.4643 14.4643 14.4754 14.4754 15.0066 15.0066 18.3894 18.3894 18.4069 18.4069 21.2560 21.2560 21.3493 21.3493 k = 0.0145 0.0145-0.0000 ( 1611 PWs) bands (ev): -69.5860 -69.5860 -37.9769 -37.9769 -25.7855 -25.7855 -25.7854 -25.7854 8.1258 8.1258 11.0521 11.0521 11.0534 11.0534 14.4669 14.4669 14.4719 14.4719 15.0057 15.0057 18.3988 18.3988 18.4067 18.4067 21.3261 21.3261 21.3707 21.3707 k = 0.0072 0.0072-0.0000 ( 1603 PWs) bands (ev): -69.5859 -69.5859 -37.9769 -37.9769 -25.7853 -25.7853 -25.7853 -25.7853 8.1191 8.1191 11.0484 11.0484 11.0487 11.0487 14.4685 14.4685 14.4697 14.4697 15.0053 15.0053 18.4046 18.4046 18.4065 18.4065 21.3701 21.3701 21.3818 21.3818 k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): -69.5859 -69.5859 -37.9768 -37.9768 -25.7851 -25.7851 -25.7851 -25.7851 8.1168 8.1168 11.0473 11.0473 11.0473 11.0473 14.4691 14.4691 14.4691 14.4691 15.0052 15.0052 18.4065 18.4065 18.4065 18.4065 21.3853 21.3853 21.3853 21.3853 k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): -69.5859 -69.5859 -37.9768 -37.9768 -25.7851 -25.7851 -25.7851 -25.7851 8.1168 8.1168 11.0473 11.0473 11.0473 11.0473 14.4691 14.4691 14.4691 14.4691 15.0052 15.0052 18.4065 18.4065 18.4065 18.4065 21.3853 21.3853 21.3853 21.3853 k = 0.0060 0.0060 0.0060 ( 1605 PWs) bands (ev): -69.5859 -69.5859 -37.9769 -37.9769 -25.7853 -25.7853 -25.7853 -25.7853 8.1191 8.1191 11.0485 11.0485 11.0485 11.0485 14.4684 14.4684 14.4698 14.4698 15.0053 15.0053 18.4053 18.4053 18.4057 18.4057 21.3696 21.3696 21.3821 21.3821 k = 0.0119 0.0119 0.0119 ( 1605 PWs) bands (ev): -69.5859 -69.5859 -37.9769 -37.9769 -25.7855 -25.7855 -25.7854 -25.7854 8.1259 8.1259 11.0528 11.0528 11.0529 11.0529 14.4666 14.4666 14.4722 14.4722 15.0058 15.0058 18.4020 18.4020 18.4034 18.4034 21.3230 21.3230 21.3730 21.3730 k = 0.0179 0.0179 0.0179 ( 1611 PWs) bands (ev): -69.5859 -69.5859 -37.9770 -37.9770 -25.7857 -25.7857 -25.7856 -25.7856 8.1372 8.1372 11.0599 11.0599 11.0602 11.0602 14.4637 14.4637 14.4760 14.4760 15.0067 15.0067 18.3964 18.3964 18.3997 18.3997 21.2465 21.2465 21.3579 21.3579 k = 0.0238 0.0238 0.0238 ( 1611 PWs) bands (ev): -69.5859 -69.5859 -37.9771 -37.9771 -25.7861 -25.7861 -25.7858 -25.7858 8.1530 8.1530 11.0699 11.0699 11.0704 11.0704 14.4596 14.4596 14.4811 14.4811 15.0084 15.0084 18.3887 18.3887 18.3946 18.3946 21.1428 21.1428 21.3372 21.3372 k = 0.0298 0.0298 0.0298 ( 1611 PWs) bands (ev): -69.5859 -69.5859 -37.9772 -37.9772 -25.7865 -25.7865 -25.7861 -25.7861 8.1733 8.1733 11.0827 11.0827 11.0835 11.0835 14.4542 14.4542 14.4870 14.4870 15.0109 15.0109 18.3791 18.3791 18.3882 18.3882 21.0156 21.0156 21.3109 21.3109 k = 0.0357 0.0357 0.0357 ( 1611 PWs) bands (ev): -69.5859 -69.5859 -37.9774 -37.9774 -25.7870 -25.7870 -25.7865 -25.7865 8.1980 8.1980 11.0983 11.0983 11.0995 11.0995 14.4477 14.4477 14.4932 14.4932 15.0148 15.0148 18.3676 18.3676 18.3807 18.3807 20.8694 20.8694 21.2793 21.2793 k = 0.0417 0.0417 0.0417 ( 1611 PWs) bands (ev): -69.5858 -69.5858 -37.9776 -37.9776 -25.7877 -25.7877 -25.7869 -25.7869 8.2271 8.2271 11.1167 11.1167 11.1183 11.1183 14.4399 14.4399 14.4992 14.4992 15.0203 15.0203 18.3545 18.3545 18.3722 18.3722 20.7081 20.7081 21.2430 21.2430 k = 0.0476 0.0476 0.0476 ( 1617 PWs) bands (ev): -69.5858 -69.5858 -37.9778 -37.9778 -25.7884 -25.7884 -25.7874 -25.7874 8.2605 8.2605 11.1379 11.1379 11.1399 11.1399 14.4309 14.4309 14.5043 14.5043 15.0279 15.0279 18.3399 18.3399 18.3629 18.3629 20.5354 20.5354 21.2021 21.2021 k = 0.0536 0.0536 0.0536 ( 1617 PWs) bands (ev): -69.5857 -69.5857 -37.9780 -37.9780 -25.7892 -25.7892 -25.7879 -25.7879 8.2982 8.2982 11.1617 11.1617 11.1642 11.1642 14.4206 14.4206 14.5081 14.5081 15.0382 15.0382 18.3240 18.3240 18.3529 18.3529 20.3542 20.3542 21.1571 21.1571 k = 0.0595 0.0595 0.0595 ( 1617 PWs) bands (ev): -69.5857 -69.5857 -37.9782 -37.9782 -25.7901 -25.7901 -25.7885 -25.7885 8.3401 8.3401 11.1883 11.1883 11.1913 11.1913 14.4089 14.4089 14.5096 14.5096 15.0514 15.0514 18.3072 18.3072 18.3426 18.3426 20.1672 20.1672 21.1084 21.1084 k = 0.0655 0.0655 0.0655 ( 1626 PWs) bands (ev): -69.5856 -69.5856 -37.9785 -37.9785 -25.7910 -25.7910 -25.7893 -25.7893 8.3861 8.3861 11.2174 11.2174 11.2211 11.2211 14.3958 14.3958 14.5083 14.5083 15.0677 15.0677 18.2896 18.2896 18.3320 18.3320 19.9765 19.9765 21.0563 21.0563 k = 0.0714 0.0714 0.0714 ( 1626 PWs) bands (ev): -69.5856 -69.5856 -37.9788 -37.9788 -25.7921 -25.7921 -25.7900 -25.7900 8.4361 8.4361 11.2492 11.2492 11.2535 11.2535 14.3814 14.3814 14.5039 14.5039 15.0873 15.0873 18.2716 18.2716 18.3214 18.3214 19.7841 19.7841 21.0013 21.0013 k = 0.0774 0.0774 0.0774 ( 1626 PWs) bands (ev): -69.5855 -69.5855 -37.9791 -37.9791 -25.7932 -25.7932 -25.7908 -25.7908 8.4900 8.4900 11.2834 11.2834 11.2884 11.2884 14.3657 14.3657 14.4960 14.4960 15.1098 15.1098 18.2533 18.2533 18.3111 18.3111 19.5919 19.5919 20.9437 20.9437 k = 0.0833 0.0833 0.0833 ( 1626 PWs) bands (ev): -69.5854 -69.5854 -37.9795 -37.9795 -25.7943 -25.7943 -25.7916 -25.7916 8.5478 8.5478 11.3202 11.3202 11.3259 11.3259 14.3485 14.3485 14.4846 14.4846 15.1348 15.1348 18.2352 18.2352 18.3012 18.3012 19.4016 19.4016 20.8839 20.8839 k = 0.0893 0.0893 0.0893 ( 1635 PWs) bands (ev): -69.5854 -69.5854 -37.9798 -37.9798 -25.7955 -25.7955 -25.7926 -25.7926 8.6093 8.6093 11.3593 11.3593 11.3657 11.3657 14.3298 14.3298 14.4694 14.4694 15.1614 15.1614 18.2173 18.2173 18.2919 18.2919 19.2151 19.2151 20.8222 20.8222 k = 0.0952 0.0952 0.0952 ( 1635 PWs) bands (ev): -69.5853 -69.5853 -37.9802 -37.9802 -25.7968 -25.7968 -25.7936 -25.7936 8.6744 8.6744 11.4008 11.4008 11.4079 11.4079 14.3098 14.3098 14.4509 14.4509 15.1887 15.1887 18.2000 18.2000 18.2835 18.2835 19.0340 19.0340 20.7409 20.7409 k = 0.1012 0.1012 0.1012 ( 1635 PWs) bands (ev): -69.5852 -69.5852 -37.9806 -37.9806 -25.7981 -25.7981 -25.7946 -25.7946 8.7431 8.7431 11.4445 11.4445 11.4524 11.4524 14.2884 14.2884 14.4290 14.4290 15.2152 15.2152 18.1836 18.1836 18.2760 18.2760 18.8604 18.8604 20.6562 20.6562 k = 0.1071 0.1071 0.1071 ( 1635 PWs) bands (ev): -69.5851 -69.5851 -37.9810 -37.9810 -25.7994 -25.7994 -25.7957 -25.7957 8.8151 8.8151 11.4904 11.4904 11.4990 11.4990 14.2655 14.2655 14.4041 14.4041 15.2395 15.2395 18.1683 18.1683 18.2695 18.2695 18.6964 18.6964 20.5714 20.5714 k = 0.1131 0.1131 0.1131 ( 1629 PWs) bands (ev): -69.5850 -69.5850 -37.9814 -37.9814 -25.8008 -25.8008 -25.7968 -25.7968 8.8904 8.8904 11.5384 11.5384 11.5478 11.5478 14.2413 14.2413 14.3763 14.3763 15.2596 15.2596 18.1544 18.1544 18.2642 18.2642 18.5443 18.5443 20.4867 20.4867 k = 0.1190 0.1190 0.1190 ( 1629 PWs) bands (ev): -69.5849 -69.5849 -37.9818 -37.9818 -25.8022 -25.8022 -25.7980 -25.7980 8.9688 8.9688 11.5884 11.5884 11.5985 11.5985 14.2158 14.2158 14.3459 14.3459 15.2735 15.2735 18.1420 18.1420 18.2593 18.2593 18.4072 18.4072 20.4023 20.4023 k = 0.1250 0.1250 0.1250 ( 1623 PWs) bands (ev): -69.5848 -69.5848 -37.9823 -37.9823 -25.8036 -25.8036 -25.7992 -25.7992 9.0502 9.0502 11.6402 11.6402 11.6510 11.6510 14.1890 14.1890 14.3132 14.3132 15.2792 15.2792 18.1313 18.1313 18.2477 18.2477 18.2950 18.2950 20.3185 20.3185 k = 0.1310 0.1310 0.1310 ( 1629 PWs) bands (ev): -69.5847 -69.5847 -37.9828 -37.9828 -25.8051 -25.8051 -25.8005 -25.8005 9.1345 9.1345 11.6938 11.6938 11.7053 11.7053 14.1609 14.1609 14.2781 14.2781 15.2741 15.2741 18.1224 18.1224 18.1742 18.1742 18.2653 18.2653 20.2355 20.2355 k = 0.1369 0.1369 0.1369 ( 1629 PWs) bands (ev): -69.5846 -69.5846 -37.9832 -37.9832 -25.8066 -25.8066 -25.8018 -25.8018 9.2216 9.2216 11.7491 11.7491 11.7613 11.7613 14.1317 14.1317 14.2412 14.2412 15.2565 15.2565 18.0951 18.0951 18.1156 18.1156 18.2641 18.2641 20.1536 20.1536 k = 0.1429 0.1429 0.1429 ( 1629 PWs) bands (ev): -69.5845 -69.5845 -37.9837 -37.9837 -25.8081 -25.8081 -25.8032 -25.8032 9.3112 9.3112 11.8058 11.8058 11.8187 11.8187 14.1015 14.1015 14.2024 14.2024 15.2248 15.2248 18.0371 18.0371 18.1110 18.1110 18.2664 18.2664 20.0728 20.0728 k = 0.1488 0.1488 0.1488 ( 1626 PWs) bands (ev): -69.5844 -69.5844 -37.9842 -37.9842 -25.8096 -25.8096 -25.8046 -25.8046 9.4033 9.4033 11.8640 11.8640 11.8775 11.8775 14.0703 14.0703 14.1621 14.1621 15.1785 15.1785 18.0027 18.0027 18.1086 18.1086 18.2708 18.2708 19.9936 19.9936 k = 0.1548 0.1548 0.1548 ( 1626 PWs) bands (ev): -69.5843 -69.5843 -37.9847 -37.9847 -25.8112 -25.8112 -25.8060 -25.8060 9.4978 9.4978 11.9234 11.9234 11.9376 11.9376 14.0383 14.0383 14.1203 14.1203 15.1175 15.1175 17.9919 17.9919 18.1085 18.1085 18.2771 18.2771 19.9161 19.9161 k = 0.1607 0.1607 0.1607 ( 1629 PWs) bands (ev): -69.5842 -69.5842 -37.9852 -37.9852 -25.8127 -25.8127 -25.8075 -25.8075 9.5944 9.5944 11.9839 11.9839 11.9986 11.9986 14.0055 14.0055 14.0772 14.0772 15.0429 15.0429 18.0039 18.0039 18.1108 18.1108 18.2852 18.2852 19.8405 19.8405 k = 0.1667 0.1667 0.1667 ( 1629 PWs) bands (ev): -69.5841 -69.5841 -37.9858 -37.9858 -25.8143 -25.8143 -25.8090 -25.8090 9.6931 9.6931 12.0453 12.0453 12.0606 12.0606 13.9722 13.9722 14.0329 14.0329 14.9564 14.9564 18.0369 18.0369 18.1153 18.1153 18.2953 18.2953 19.7673 19.7673 k = 0.1726 0.1726 0.1726 ( 1629 PWs) bands (ev): -69.5840 -69.5840 -37.9863 -37.9863 -25.8158 -25.8158 -25.8106 -25.8106 9.7937 9.7937 12.1075 12.1075 12.1233 12.1233 13.9386 13.9386 13.9876 13.9876 14.8602 14.8602 18.0880 18.0880 18.1221 18.1221 18.3081 18.3081 19.6967 19.6967 k = 0.1786 0.1786 0.1786 ( 1623 PWs) bands (ev): -69.5838 -69.5838 -37.9868 -37.9868 -25.8173 -25.8173 -25.8122 -25.8122 9.8961 9.8961 12.1702 12.1702 12.1865 12.1865 13.9047 13.9047 13.9414 13.9414 14.7566 14.7566 18.1312 18.1312 18.1527 18.1527 18.3256 18.3256 19.6292 19.6292 k = 0.1845 0.1845 0.1845 ( 1617 PWs) bands (ev): -69.5837 -69.5837 -37.9874 -37.9874 -25.8188 -25.8188 -25.8138 -25.8138 10.0001 10.0001 12.2332 12.2332 12.2501 12.2501 13.8707 13.8707 13.8942 13.8942 14.6477 14.6477 18.1423 18.1423 18.2209 18.2209 18.3555 18.3555 19.5653 19.5653 k = 0.1905 0.1905 0.1905 ( 1617 PWs) bands (ev): -69.5836 -69.5836 -37.9879 -37.9879 -25.8203 -25.8203 -25.8155 -25.8155 10.1056 10.1056 12.2962 12.2962 12.3137 12.3137 13.8369 13.8369 13.8461 13.8461 14.5360 14.5360 18.1553 18.1553 18.2723 18.2723 18.4157 18.4157 19.5057 19.5057 k = 0.1964 0.1964 0.1964 ( 1617 PWs) bands (ev): -69.5835 -69.5835 -37.9885 -37.9885 -25.8219 -25.8219 -25.8171 -25.8171 10.2125 10.2125 12.3590 12.3590 12.3773 12.3773 13.7970 13.7970 13.8035 13.8035 14.4233 14.4233 18.1698 18.1698 18.2990 18.2990 18.5116 18.5116 19.4509 19.4509 k = 0.2024 0.2024 0.2024 ( 1622 PWs) bands (ev): -69.5834 -69.5834 -37.9890 -37.9890 -25.8234 -25.8234 -25.8189 -25.8189 10.3206 10.3206 12.4213 12.4213 12.4404 12.4404 13.7467 13.7467 13.7707 13.7707 14.3117 14.3117 18.1857 18.1857 18.3125 18.3125 18.6295 18.6295 19.4020 19.4020 k = 0.2083 0.2083 0.2083 ( 1622 PWs) bands (ev): -69.5832 -69.5832 -37.9896 -37.9896 -25.8249 -25.8249 -25.8206 -25.8206 10.4298 10.4298 12.4825 12.4825 12.5029 12.5029 13.6951 13.6951 13.7388 13.7388 14.2030 14.2030 18.2024 18.2024 18.3191 18.3191 18.7608 18.7608 19.3600 19.3600 k = 0.2143 0.2143 0.2143 ( 1616 PWs) bands (ev): -69.5831 -69.5831 -37.9901 -37.9901 -25.8264 -25.8264 -25.8223 -25.8223 10.5400 10.5400 12.5424 12.5424 12.5645 12.5645 13.6418 13.6418 13.7081 13.7081 14.0992 14.0992 18.2195 18.2195 18.3202 18.3202 18.9017 18.9017 19.3262 19.3262 k = 0.2202 0.2202 0.2202 ( 1616 PWs) bands (ev): -69.5830 -69.5830 -37.9907 -37.9907 -25.8279 -25.8279 -25.8241 -25.8241 10.6509 10.6509 12.6000 12.6000 12.6246 12.6246 13.5864 13.5864 13.6789 13.6789 14.0019 14.0019 18.2364 18.2364 18.3157 18.3157 19.0488 19.0488 19.3031 19.3031 k = 0.2262 0.2262 0.2262 ( 1616 PWs) bands (ev): -69.5829 -69.5829 -37.9913 -37.9913 -25.8294 -25.8294 -25.8259 -25.8259 10.7626 10.7626 12.6547 12.6547 12.6830 12.6830 13.5291 13.5291 13.6517 13.6517 13.9128 13.9128 18.2522 18.2522 18.3053 18.3053 19.1891 19.1891 19.3033 19.3033 k = 0.2321 0.2321 0.2321 ( 1616 PWs) bands (ev): -69.5827 -69.5827 -37.9918 -37.9918 -25.8309 -25.8309 -25.8277 -25.8277 10.8748 10.8748 12.7050 12.7050 12.7392 12.7392 13.4702 13.4702 13.6269 13.6269 13.8332 13.8332 18.2661 18.2661 18.2889 18.2889 19.2482 19.2482 19.3964 19.3964 k = 0.2381 0.2381 0.2381 ( 1604 PWs) bands (ev): -69.5826 -69.5826 -37.9924 -37.9924 -25.8323 -25.8323 -25.8294 -25.8294 10.9874 10.9874 12.7493 12.7493 12.7925 12.7925 13.4117 13.4117 13.6052 13.6052 13.7638 13.7638 18.2666 18.2666 18.2772 18.2772 19.2587 19.2587 19.3702 19.3702 k = 0.2440 0.2440 0.2440 ( 1607 PWs) bands (ev): -69.5825 -69.5825 -37.9930 -37.9930 -25.8338 -25.8338 -25.8313 -25.8313 11.1002 11.1002 12.7846 12.7846 12.8422 12.8422 13.3564 13.3564 13.5870 13.5870 13.7043 13.7043 18.2384 18.2384 18.2844 18.2844 19.2714 19.2714 19.3513 19.3513 k = 0.2500 0.2500 0.2500 ( 1607 PWs) bands (ev): -69.5824 -69.5824 -37.9936 -37.9936 -25.8353 -25.8353 -25.8331 -25.8331 11.2132 11.2132 12.8075 12.8075 12.8875 12.8875 13.3089 13.3089 13.5732 13.5732 13.6545 13.6545 18.2052 18.2052 18.2869 18.2869 19.2911 19.2911 19.3408 19.3408 k = 0.2560 0.2560 0.2560 ( 1607 PWs) bands (ev): -69.5822 -69.5822 -37.9941 -37.9941 -25.8368 -25.8368 -25.8349 -25.8349 11.3260 11.3260 12.8140 12.8140 12.9277 12.9277 13.2736 13.2736 13.5647 13.5647 13.6141 13.6141 18.1676 18.1676 18.2838 18.2838 19.3181 19.3181 19.3392 19.3392 k = 0.2619 0.2619 0.2619 ( 1613 PWs) bands (ev): -69.5821 -69.5821 -37.9947 -37.9947 -25.8383 -25.8383 -25.8367 -25.8367 11.4385 11.4385 12.8021 12.8021 12.9617 12.9618 13.2525 13.2525 13.5621 13.5621 13.5831 13.5831 18.1264 18.1264 18.2748 18.2748 19.3470 19.3470 19.3518 19.3518 k = 0.2679 0.2679 0.2679 ( 1613 PWs) bands (ev): -69.5820 -69.5820 -37.9953 -37.9953 -25.8397 -25.8397 -25.8386 -25.8386 11.5506 11.5506 12.7741 12.7741 12.9892 12.9892 13.2432 13.2432 13.5622 13.5622 13.5662 13.5662 18.0825 18.0825 18.2596 18.2596 19.3642 19.3642 19.3915 19.3915 k = 0.2738 0.2738 0.2738 ( 1604 PWs) bands (ev): -69.5819 -69.5819 -37.9959 -37.9959 -25.8412 -25.8412 -25.8404 -25.8404 11.6619 11.6619 12.7351 12.7351 13.0098 13.0098 13.2398 13.2398 13.5523 13.5523 13.5771 13.5771 18.0365 18.0365 18.2386 18.2386 19.3904 19.3904 19.4367 19.4367 k = 0.2798 0.2798 0.2798 ( 1604 PWs) bands (ev): -69.5818 -69.5818 -37.9964 -37.9964 -25.8426 -25.8426 -25.8422 -25.8422 11.7720 11.7720 12.6905 12.6905 13.0238 13.0238 13.2366 13.2366 13.5537 13.5537 13.5945 13.5945 17.9888 17.9888 18.2121 18.2121 19.4251 19.4251 19.4867 19.4867 k = 0.2857 0.2857 0.2857 ( 1610 PWs) bands (ev): -69.5817 -69.5817 -37.9970 -37.9970 -25.8441 -25.8441 -25.8440 -25.8440 11.8806 11.8806 12.6448 12.6448 13.0318 13.0318 13.2307 13.2307 13.5656 13.5656 13.6176 13.6176 17.9400 17.9400 18.1808 18.1808 19.4675 19.4675 19.5408 19.5408 k = 0.2917 0.2917 0.2917 ( 1610 PWs) bands (ev): -69.5816 -69.5816 -37.9976 -37.9976 -25.8458 -25.8458 -25.8456 -25.8456 11.9866 11.9866 12.6012 12.6012 13.0351 13.0351 13.2215 13.2215 13.5858 13.5858 13.6454 13.6454 17.8907 17.8907 18.1453 18.1453 19.5167 19.5167 19.5988 19.5988 k = 0.2976 0.2976 0.2976 ( 1610 PWs) bands (ev): -69.5814 -69.5814 -37.9982 -37.9982 -25.8476 -25.8476 -25.8471 -25.8471 12.0886 12.0886 12.5629 12.5629 13.0346 13.0346 13.2098 13.2098 13.6118 13.6118 13.6767 13.6767 17.8410 17.8410 18.1063 18.1063 19.5721 19.5721 19.6601 19.6601 k = 0.3036 0.3036 0.3036 ( 1610 PWs) bands (ev): -69.5813 -69.5813 -37.9987 -37.9987 -25.8493 -25.8493 -25.8486 -25.8486 12.1831 12.1831 12.5343 12.5343 13.0314 13.0314 13.1969 13.1969 13.6413 13.6413 13.7105 13.7105 17.7914 17.7914 18.0644 18.0644 19.6327 19.6327 19.7244 19.7244 k = 0.3095 0.3095 0.3095 ( 1616 PWs) bands (ev): -69.5812 -69.5812 -37.9993 -37.9993 -25.8511 -25.8511 -25.8501 -25.8501 12.2616 12.2616 12.5244 12.5244 13.0265 13.0265 13.1836 13.1836 13.6726 13.6726 13.7457 13.7457 17.7419 17.7419 18.0201 18.0201 19.6978 19.6978 19.7913 19.7913 k = 0.3155 0.3155 0.3155 ( 1616 PWs) bands (ev): -69.5811 -69.5811 -37.9999 -37.9999 -25.8528 -25.8528 -25.8515 -25.8515 12.3091 12.3091 12.5483 12.5483 13.0206 13.0206 13.1707 13.1707 13.7045 13.7045 13.7818 13.7818 17.6929 17.6929 17.9740 17.9740 19.7669 19.7669 19.8605 19.8605 k = 0.3214 0.3214 0.3214 ( 1622 PWs) bands (ev): -69.5810 -69.5810 -38.0004 -38.0004 -25.8545 -25.8545 -25.8530 -25.8530 12.3222 12.3222 12.6095 12.6095 13.0142 13.0142 13.1588 13.1588 13.7361 13.7361 13.8180 13.8180 17.6446 17.6446 17.9264 17.9264 19.8392 19.8392 19.9317 19.9317 k = 0.3274 0.3274 0.3274 ( 1622 PWs) bands (ev): -69.5809 -69.5809 -38.0010 -38.0010 -25.8562 -25.8562 -25.8545 -25.8545 12.3179 12.3179 12.6913 12.6913 13.0077 13.0077 13.1481 13.1481 13.7669 13.7669 13.8540 13.8540 17.5970 17.5970 17.8777 17.8777 19.9144 19.9144 20.0047 20.0047 k = 0.3333 0.3333 0.3333 ( 1610 PWs) bands (ev): -69.5808 -69.5808 -38.0015 -38.0015 -25.8578 -25.8578 -25.8560 -25.8560 12.3091 12.3091 12.7804 12.7804 13.0016 13.0016 13.1390 13.1390 13.7965 13.7965 13.8893 13.8893 17.5504 17.5504 17.8283 17.8283 19.9918 19.9918 20.0790 20.0790 k = 0.3393 0.3393 0.3393 ( 1610 PWs) bands (ev): -69.5807 -69.5807 -38.0021 -38.0021 -25.8594 -25.8594 -25.8574 -25.8574 12.3011 12.3011 12.8712 12.8712 12.9960 12.9960 13.1316 13.1316 13.8247 13.8247 13.9239 13.9239 17.5047 17.5047 17.7782 17.7782 20.0711 20.0711 20.1545 20.1545 k = 0.3452 0.3452 0.3452 ( 1610 PWs) bands (ev): -69.5806 -69.5806 -38.0026 -38.0026 -25.8610 -25.8610 -25.8589 -25.8589 12.2961 12.2961 12.9611 12.9611 12.9910 12.9910 13.1259 13.1259 13.8512 13.8512 13.9573 13.9573 17.4603 17.4603 17.7278 17.7278 20.1516 20.1516 20.2309 20.2309 k = 0.3512 0.3512 0.3512 ( 1610 PWs) bands (ev): -69.5805 -69.5805 -38.0031 -38.0031 -25.8626 -25.8626 -25.8603 -25.8603 12.2950 12.2950 12.9867 12.9867 13.0485 13.0485 13.1225 13.1225 13.8761 13.8761 13.9896 13.9896 17.4170 17.4170 17.6773 17.6773 20.2332 20.2332 20.3078 20.3078 k = 0.3571 0.3571 0.3571 ( 1616 PWs) bands (ev): -69.5804 -69.5804 -38.0037 -38.0037 -25.8641 -25.8641 -25.8618 -25.8618 12.2982 12.2982 12.9833 12.9833 13.1150 13.1150 13.1389 13.1389 13.8995 13.8995 14.0206 14.0206 17.3750 17.3750 17.6268 17.6268 20.3153 20.3153 20.3851 20.3851 k = 0.3631 0.3631 0.3631 ( 1610 PWs) bands (ev): -69.5803 -69.5803 -38.0042 -38.0042 -25.8655 -25.8655 -25.8632 -25.8632 12.3059 12.3059 12.9809 12.9809 13.1181 13.1181 13.2168 13.2168 13.9217 13.9217 14.0502 14.0502 17.3346 17.3346 17.5766 17.5766 20.3975 20.3975 20.4623 20.4623 k = 0.3690 0.3690 0.3690 ( 1610 PWs) bands (ev): -69.5802 -69.5802 -38.0047 -38.0047 -25.8669 -25.8669 -25.8647 -25.8647 12.3180 12.3180 12.9794 12.9794 13.1200 13.1200 13.2932 13.2932 13.9428 13.9428 14.0784 14.0784 17.2955 17.2955 17.5268 17.5268 20.4796 20.4796 20.5393 20.5393 k = 0.3750 0.3750 0.3750 ( 1610 PWs) bands (ev): -69.5801 -69.5801 -38.0051 -38.0051 -25.8683 -25.8683 -25.8661 -25.8661 12.3346 12.3346 12.9788 12.9788 13.1236 13.1236 13.3647 13.3647 13.9633 13.9633 14.1052 14.1052 17.2580 17.2580 17.4777 17.4777 20.5610 20.5610 20.6156 20.6156 k = 0.3810 0.3810 0.3810 ( 1610 PWs) bands (ev): -69.5801 -69.5801 -38.0056 -38.0056 -25.8696 -25.8696 -25.8674 -25.8674 12.3553 12.3553 12.9790 12.9790 13.1289 13.1289 13.4302 13.4302 13.9837 13.9837 14.1305 14.1305 17.2221 17.2221 17.4293 17.4293 20.6415 20.6415 20.6911 20.6911 k = 0.3869 0.3869 0.3869 ( 1616 PWs) bands (ev): -69.5800 -69.5800 -38.0061 -38.0061 -25.8709 -25.8709 -25.8688 -25.8688 12.3801 12.3801 12.9801 12.9801 13.1359 13.1359 13.4888 13.4888 14.0047 14.0047 14.1544 14.1544 17.1877 17.1877 17.3818 17.3818 20.7207 20.7207 20.7653 20.7653 k = 0.3929 0.3929 0.3929 ( 1616 PWs) bands (ev): -69.5799 -69.5799 -38.0065 -38.0065 -25.8721 -25.8721 -25.8701 -25.8701 12.4087 12.4087 12.9820 12.9820 13.1446 13.1446 13.5397 13.5397 14.0268 14.0268 14.1768 14.1768 17.1551 17.1551 17.3354 17.3354 20.7982 20.7982 20.8381 20.8381 k = 0.3988 0.3988 0.3988 ( 1628 PWs) bands (ev): -69.5799 -69.5799 -38.0070 -38.0070 -25.8733 -25.8733 -25.8715 -25.8715 12.4408 12.4408 12.9846 12.9846 13.1549 13.1549 13.5822 13.5822 14.0506 14.0506 14.1977 14.1977 17.1241 17.1241 17.2902 17.2902 20.8737 20.8737 20.9091 20.9091 k = 0.4048 0.4048 0.4048 ( 1628 PWs) bands (ev): -69.5798 -69.5798 -38.0074 -38.0074 -25.8744 -25.8744 -25.8727 -25.8727 12.4762 12.4762 12.9879 12.9879 13.1667 13.1667 13.6160 13.6160 14.0764 14.0764 14.2172 14.2172 17.0948 17.0948 17.2465 17.2465 20.9469 20.9469 20.9779 20.9779 k = 0.4107 0.4107 0.4107 ( 1622 PWs) bands (ev): -69.5797 -69.5797 -38.0078 -38.0078 -25.8755 -25.8755 -25.8739 -25.8739 12.5144 12.5144 12.9918 12.9918 13.1800 13.1800 13.6411 13.6411 14.1040 14.1040 14.2353 14.2353 17.0673 17.0673 17.2044 17.2044 21.0174 21.0174 21.0444 21.0444 k = 0.4167 0.4167 0.4167 ( 1616 PWs) bands (ev): -69.5796 -69.5796 -38.0081 -38.0081 -25.8764 -25.8764 -25.8750 -25.8750 12.5551 12.5551 12.9961 12.9961 13.1946 13.1946 13.6580 13.6580 14.1329 14.1329 14.2521 14.2521 17.0416 17.0416 17.1641 17.1641 21.0850 21.0850 21.1081 21.1081 k = 0.4226 0.4226 0.4226 ( 1613 PWs) bands (ev): -69.5796 -69.5796 -38.0085 -38.0085 -25.8774 -25.8774 -25.8760 -25.8760 12.5978 12.5978 13.0008 13.0008 13.2103 13.2103 13.6676 13.6676 14.1623 14.1623 14.2675 14.2675 17.0175 17.0175 17.1257 17.1257 21.1493 21.1493 21.1689 21.1689 k = 0.4286 0.4286 0.4286 ( 1610 PWs) bands (ev): -69.5795 -69.5795 -38.0088 -38.0088 -25.8782 -25.8782 -25.8770 -25.8770 12.6421 12.6421 13.0057 13.0057 13.2269 13.2269 13.6708 13.6708 14.1913 14.1913 14.2816 14.2816 16.9951 16.9951 17.0893 17.0893 21.2100 21.2100 21.2263 21.2263 k = 0.4345 0.4345 0.4345 ( 1610 PWs) bands (ev): -69.5795 -69.5795 -38.0091 -38.0091 -25.8790 -25.8790 -25.8780 -25.8780 12.6874 12.6874 13.0107 13.0107 13.2442 13.2442 13.6686 13.6686 14.2190 14.2190 14.2944 14.2944 16.9745 16.9745 17.0551 17.0551 21.2670 21.2670 21.2801 21.2801 k = 0.4405 0.4405 0.4405 ( 1610 PWs) bands (ev): -69.5794 -69.5794 -38.0094 -38.0094 -25.8798 -25.8798 -25.8789 -25.8789 12.7331 12.7331 13.0158 13.0158 13.2621 13.2621 13.6620 13.6620 14.2448 14.2448 14.3059 14.3059 16.9556 16.9556 17.0233 17.0233 21.3198 21.3198 21.3297 21.3297 k = 0.4464 0.4464 0.4464 ( 1610 PWs) bands (ev): -69.5794 -69.5794 -38.0097 -38.0097 -25.8804 -25.8804 -25.8797 -25.8797 12.7788 12.7788 13.0208 13.0208 13.2801 13.2801 13.6518 13.6518 14.2682 14.2682 14.3163 14.3163 16.9384 16.9384 16.9941 16.9941 21.3684 21.3684 21.3705 21.3705 k = 0.4524 0.4524 0.4524 ( 1610 PWs) bands (ev): -69.5793 -69.5793 -38.0099 -38.0099 -25.8811 -25.8811 -25.8805 -25.8805 12.8236 12.8236 13.0256 13.0256 13.2979 13.2979 13.6387 13.6387 14.2889 14.2889 14.3254 14.3254 16.9229 16.9229 16.9675 16.9675 21.3030 21.3030 21.4124 21.4124 k = 0.4583 0.4583 0.4583 ( 1616 PWs) bands (ev): -69.5793 -69.5793 -38.0101 -38.0101 -25.8816 -25.8816 -25.8811 -25.8811 12.8669 12.8669 13.0301 13.0301 13.3152 13.3152 13.6236 13.6236 14.3067 14.3067 14.3334 14.3334 16.9092 16.9092 16.9437 16.9437 21.2111 21.2111 21.4518 21.4518 k = 0.4643 0.4643 0.4643 ( 1616 PWs) bands (ev): -69.5793 -69.5793 -38.0103 -38.0103 -25.8821 -25.8821 -25.8817 -25.8817 12.9080 12.9080 13.0343 13.0343 13.3316 13.3316 13.6073 13.6073 14.3216 14.3216 14.3402 14.3402 16.8972 16.8972 16.9228 16.9228 21.1295 21.1295 21.4862 21.4862 k = 0.4702 0.4702 0.4702 ( 1622 PWs) bands (ev): -69.5793 -69.5793 -38.0105 -38.0105 -25.8825 -25.8825 -25.8822 -25.8822 12.9458 12.9458 13.0379 13.0379 13.3466 13.3466 13.5904 13.5904 14.3337 14.3337 14.3460 14.3460 16.8870 16.8870 16.9049 16.9049 21.0595 21.0595 21.5156 21.5156 k = 0.4762 0.4762 0.4762 ( 1622 PWs) bands (ev): -69.5792 -69.5792 -38.0106 -38.0106 -25.8828 -25.8828 -25.8826 -25.8826 12.9793 12.9793 13.0410 13.0410 13.3598 13.3598 13.5741 13.5741 14.3432 14.3432 14.3506 14.3506 16.8786 16.8786 16.8902 16.8902 21.0016 21.0016 21.5398 21.5401 k = 0.4821 0.4821 0.4821 ( 1625 PWs) bands (ev): -69.5792 -69.5792 -38.0107 -38.0107 -25.8831 -25.8831 -25.8830 -25.8830 13.0074 13.0074 13.0434 13.0434 13.3707 13.3707 13.5593 13.5593 14.3502 14.3502 14.3542 14.3542 16.8721 16.8721 16.8786 16.8786 20.9562 20.9562 21.5588 21.5589 k = 0.4881 0.4881 0.4881 ( 1631 PWs) bands (ev): -69.5792 -69.5792 -38.0108 -38.0108 -25.8833 -25.8833 -25.8832 -25.8832 13.0288 13.0288 13.0452 13.0452 13.3790 13.3790 13.5474 13.5474 14.3551 14.3551 14.3568 14.3568 16.8674 16.8674 16.8703 16.8703 20.9235 20.9235 21.5725 21.5728 k = 0.4940 0.4940 0.4940 ( 1640 PWs) bands (ev): -69.5793 -69.5793 -38.0108 -38.0108 -25.8834 -25.8834 -25.8834 -25.8834 13.0421 13.0421 13.0463 13.0463 13.3841 13.3841 13.5396 13.5396 14.3579 14.3579 14.3583 14.3583 16.8645 16.8645 16.8652 16.8652 20.9038 20.9038 21.5806 21.5807 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): -69.5793 -69.5793 -38.0109 -38.0109 -25.8834 -25.8834 -25.8834 -25.8834 13.0467 13.0467 13.0467 13.0467 13.3858 13.3858 13.5369 13.5369 14.3589 14.3589 14.3589 14.3589 16.8636 16.8636 16.8636 16.8636 20.8973 20.8973 21.5833 21.5833 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): -69.5793 -69.5793 -38.0109 -38.0109 -25.8834 -25.8834 -25.8834 -25.8834 13.0467 13.0467 13.0467 13.0467 13.3858 13.3858 13.5369 13.5369 14.3589 14.3589 14.3589 14.3589 16.8636 16.8636 16.8636 16.8636 20.8973 20.8973 21.5833 21.5833 k = 0.4928 0.5000 0.4928 ( 1640 PWs) bands (ev): -69.5793 -69.5793 -38.0108 -38.0108 -25.8834 -25.8834 -25.8834 -25.8834 13.0424 13.0424 13.0461 13.0461 13.3841 13.3841 13.5396 13.5396 14.3560 14.3560 14.3603 14.3603 16.8641 16.8641 16.8657 16.8657 20.9037 20.9037 21.5795 21.5795 k = 0.4855 0.5000 0.4855 ( 1630 PWs) bands (ev): -69.5792 -69.5792 -38.0108 -38.0108 -25.8833 -25.8833 -25.8832 -25.8832 13.0300 13.0300 13.0442 13.0442 13.3790 13.3790 13.5472 13.5472 14.3473 14.3473 14.3648 14.3648 16.8656 16.8656 16.8719 16.8719 20.9232 20.9232 21.5679 21.5679 k = 0.4783 0.5000 0.4783 ( 1622 PWs) bands (ev): -69.5792 -69.5792 -38.0107 -38.0107 -25.8832 -25.8832 -25.8828 -25.8828 13.0102 13.0102 13.0410 13.0410 13.3708 13.3708 13.5588 13.5588 14.3332 14.3332 14.3722 14.3722 16.8680 16.8680 16.8821 16.8821 20.9555 20.9555 21.5487 21.5487 k = 0.4710 0.5000 0.4710 ( 1618 PWs) bands (ev): -69.5792 -69.5792 -38.0106 -38.0106 -25.8830 -25.8830 -25.8824 -25.8824 12.9844 12.9844 13.0364 13.0364 13.3597 13.3597 13.5731 13.5731 14.3138 14.3138 14.3827 14.3827 16.8713 16.8713 16.8962 16.8962 21.0004 21.0004 21.5221 21.5221 k = 0.4638 0.5000 0.4638 ( 1618 PWs) bands (ev): -69.5793 -69.5793 -38.0105 -38.0105 -25.8828 -25.8828 -25.8819 -25.8819 12.9537 12.9537 13.0302 13.0302 13.3461 13.3461 13.5886 13.5886 14.2896 14.2896 14.3960 14.3960 16.8752 16.8752 16.9138 16.9138 21.0577 21.0577 21.4882 21.4882 k = 0.4565 0.5000 0.4565 ( 1614 PWs) bands (ev): -69.5793 -69.5793 -38.0103 -38.0103 -25.8826 -25.8826 -25.8812 -25.8812 12.9193 12.9193 13.0222 13.0222 13.3304 13.3304 13.6044 13.6044 14.2611 14.2611 14.4123 14.4123 16.8798 16.8798 16.9347 16.9347 21.1271 21.1271 21.4474 21.4474 k = 0.4493 0.5000 0.4493 ( 1614 PWs) bands (ev): -69.5793 -69.5793 -38.0101 -38.0101 -25.8823 -25.8823 -25.8805 -25.8805 12.8822 12.8822 13.0121 13.0121 13.3130 13.3130 13.6197 13.6197 14.2289 14.2289 14.4312 14.4312 16.8849 16.8849 16.9586 16.9586 21.2080 21.2080 21.3999 21.3999 k = 0.4420 0.5000 0.4420 ( 1614 PWs) bands (ev): -69.5793 -69.5793 -38.0099 -38.0099 -25.8820 -25.8820 -25.8796 -25.8796 12.8430 12.8430 12.9996 12.9996 13.2945 13.2945 13.6339 13.6339 14.1934 14.1934 14.4528 14.4528 16.8903 16.8903 16.9851 16.9851 21.2989 21.2989 21.3472 21.3472 k = 0.4348 0.5000 0.4348 ( 1614 PWs) bands (ev): -69.5794 -69.5794 -38.0097 -38.0097 -25.8816 -25.8816 -25.8786 -25.8786 12.8025 12.8025 12.9843 12.9843 13.2755 13.2755 13.6466 13.6466 14.1555 14.1555 14.4767 14.4767 16.8959 16.8959 17.0140 17.0140 21.2849 21.2849 21.4028 21.4028 k = 0.4275 0.5000 0.4275 ( 1614 PWs) bands (ev): -69.5794 -69.5794 -38.0094 -38.0094 -25.8812 -25.8812 -25.8776 -25.8776 12.7610 12.7610 12.9659 12.9659 13.2566 13.2566 13.6576 13.6576 14.1155 14.1155 14.5026 14.5026 16.9016 16.9016 17.0448 17.0448 21.2196 21.2196 21.4472 21.4472 k = 0.4203 0.5000 0.4203 ( 1614 PWs) bands (ev): -69.5795 -69.5795 -38.0092 -38.0092 -25.8808 -25.8808 -25.8764 -25.8764 12.7190 12.7190 12.9442 12.9442 13.2383 13.2383 13.6668 13.6668 14.0742 14.0742 14.5302 14.5302 16.9073 16.9073 17.0772 17.0772 21.1487 21.1487 21.4236 21.4236 k = 0.4130 0.5000 0.4130 ( 1614 PWs) bands (ev): -69.5795 -69.5795 -38.0089 -38.0089 -25.8803 -25.8803 -25.8751 -25.8751 12.6766 12.6766 12.9189 12.9189 13.2213 13.2213 13.6741 13.6741 14.0321 14.0321 14.5592 14.5592 16.9130 16.9130 17.1109 17.1109 21.0728 21.0728 21.3969 21.3969 k = 0.4058 0.5000 0.4058 ( 1618 PWs) bands (ev): -69.5796 -69.5796 -38.0085 -38.0085 -25.8799 -25.8799 -25.8738 -25.8738 12.6343 12.6343 12.8902 12.8902 13.2057 13.2057 13.6792 13.6792 13.9899 13.9899 14.5891 14.5891 16.9184 16.9184 17.1454 17.1454 20.9922 20.9922 21.3687 21.3687 k = 0.3986 0.5000 0.3986 ( 1618 PWs) bands (ev): -69.5796 -69.5796 -38.0082 -38.0082 -25.8793 -25.8793 -25.8723 -25.8723 12.5920 12.5920 12.8584 12.8584 13.1918 13.1918 13.6821 13.6821 13.9483 13.9483 14.6197 14.6197 16.9237 16.9237 17.1806 17.1806 20.9074 20.9074 21.3393 21.3393 k = 0.3913 0.5000 0.3913 ( 1618 PWs) bands (ev): -69.5797 -69.5797 -38.0078 -38.0078 -25.8788 -25.8788 -25.8708 -25.8708 12.5500 12.5500 12.8239 12.8239 13.1794 13.1794 13.6824 13.6824 13.9083 13.9083 14.6504 14.6504 16.9289 16.9289 17.2162 17.2162 20.8185 20.8185 21.3092 21.3092 k = 0.3841 0.5000 0.3841 ( 1614 PWs) bands (ev): -69.5798 -69.5798 -38.0074 -38.0074 -25.8782 -25.8782 -25.8691 -25.8691 12.5085 12.5085 12.7872 12.7872 13.1685 13.1685 13.6793 13.6793 13.8710 13.8710 14.6811 14.6811 16.9338 16.9338 17.2518 17.2518 20.7260 20.7260 21.2785 21.2785 k = 0.3768 0.5000 0.3768 ( 1610 PWs) bands (ev): -69.5798 -69.5798 -38.0070 -38.0070 -25.8777 -25.8777 -25.8674 -25.8674 12.4673 12.4673 12.7489 12.7489 13.1588 13.1588 13.6717 13.6717 13.8381 13.8381 14.7112 14.7112 16.9385 16.9385 17.2872 17.2872 20.6301 20.6301 21.2475 21.2475 k = 0.3696 0.5000 0.3696 ( 1616 PWs) bands (ev): -69.5799 -69.5799 -38.0066 -38.0066 -25.8771 -25.8771 -25.8656 -25.8656 12.4266 12.4266 12.7096 12.7096 13.1502 13.1502 13.6581 13.6581 13.8115 13.8115 14.7406 14.7406 16.9430 16.9430 17.3220 17.3220 20.5312 20.5312 21.2165 21.2165 k = 0.3623 0.5000 0.3623 ( 1612 PWs) bands (ev): -69.5800 -69.5800 -38.0062 -38.0062 -25.8765 -25.8765 -25.8637 -25.8637 12.3863 12.3863 12.6700 12.6700 13.1425 13.1425 13.6377 13.6377 13.7922 13.7922 14.7690 14.7690 16.9473 16.9473 17.3561 17.3561 20.4294 20.4294 21.1857 21.1857 k = 0.3551 0.5000 0.3551 ( 1612 PWs) bands (ev): -69.5800 -69.5800 -38.0057 -38.0057 -25.8758 -25.8758 -25.8618 -25.8618 12.3465 12.3465 12.6305 12.6305 13.1355 13.1355 13.6116 13.6116 13.7798 13.7798 14.7960 14.7960 16.9514 16.9514 17.3892 17.3892 20.3251 20.3251 21.1553 21.1553 k = 0.3478 0.5000 0.3478 ( 1616 PWs) bands (ev): -69.5801 -69.5801 -38.0053 -38.0053 -25.8752 -25.8752 -25.8599 -25.8599 12.3071 12.3071 12.5917 12.5917 13.1289 13.1289 13.5817 13.5817 13.7726 13.7726 14.8215 14.8215 16.9554 16.9554 17.4210 17.4210 20.2184 20.2184 21.1257 21.1257 k = 0.3406 0.5000 0.3406 ( 1616 PWs) bands (ev): -69.5802 -69.5802 -38.0048 -38.0048 -25.8746 -25.8746 -25.8579 -25.8579 12.2681 12.2681 12.5540 12.5540 13.1228 13.1228 13.5501 13.5501 13.7688 13.7688 14.8452 14.8452 16.9593 16.9593 17.4515 17.4515 20.1096 20.1096 21.0969 21.0969 k = 0.3333 0.5000 0.3333 ( 1616 PWs) bands (ev): -69.5803 -69.5803 -38.0043 -38.0043 -25.8740 -25.8740 -25.8558 -25.8558 12.2294 12.2294 12.5179 12.5179 13.1168 13.1168 13.5183 13.5183 13.7674 13.7674 14.8670 14.8670 16.9631 16.9631 17.4804 17.4804 19.9988 19.9988 21.0692 21.0692 k = 0.3261 0.5000 0.3261 ( 1616 PWs) bands (ev): -69.5804 -69.5804 -38.0039 -38.0039 -25.8733 -25.8733 -25.8537 -25.8537 12.1911 12.1911 12.4838 12.4838 13.1108 13.1108 13.4873 13.4873 13.7678 13.7678 14.8867 14.8867 16.9670 16.9670 17.5075 17.5075 19.8864 19.8864 21.0427 21.0427 k = 0.3188 0.5000 0.3188 ( 1612 PWs) bands (ev): -69.5805 -69.5805 -38.0034 -38.0034 -25.8727 -25.8727 -25.8515 -25.8515 12.1530 12.1530 12.4518 12.4518 13.1046 13.1046 13.4579 13.4579 13.7697 13.7697 14.9042 14.9042 16.9708 16.9708 17.5326 17.5326 19.7724 19.7724 21.0176 21.0176 k = 0.3116 0.5000 0.3116 ( 1614 PWs) bands (ev): -69.5806 -69.5806 -38.0029 -38.0029 -25.8721 -25.8721 -25.8493 -25.8493 12.1153 12.1153 12.4223 12.4223 13.0979 13.0979 13.4307 13.4307 13.7728 13.7728 14.9194 14.9194 16.9747 16.9747 17.5557 17.5557 19.6571 19.6571 20.9938 20.9938 k = 0.3043 0.5000 0.3043 ( 1622 PWs) bands (ev): -69.5807 -69.5807 -38.0024 -38.0024 -25.8715 -25.8715 -25.8472 -25.8472 12.0779 12.0779 12.3953 12.3953 13.0905 13.0905 13.4061 13.4061 13.7771 13.7771 14.9323 14.9323 16.9785 16.9785 17.5766 17.5766 19.5406 19.5406 20.9715 20.9715 k = 0.2971 0.5000 0.2971 ( 1622 PWs) bands (ev): -69.5808 -69.5808 -38.0019 -38.0019 -25.8709 -25.8709 -25.8449 -25.8449 12.0411 12.0411 12.3710 12.3710 13.0821 13.0821 13.3846 13.3846 13.7827 13.7827 14.9427 14.9427 16.9826 16.9826 17.5952 17.5952 19.4231 19.4231 20.9506 20.9506 k = 0.2899 0.5000 0.2899 ( 1622 PWs) bands (ev): -69.5808 -69.5808 -38.0014 -38.0014 -25.8703 -25.8703 -25.8427 -25.8427 12.0047 12.0047 12.3494 12.3494 13.0724 13.0724 13.3666 13.3666 13.7897 13.7897 14.9507 14.9507 16.9868 16.9868 17.6115 17.6115 19.3047 19.3047 20.9312 20.9312 k = 0.2826 0.5000 0.2826 ( 1610 PWs) bands (ev): -69.5809 -69.5809 -38.0009 -38.0009 -25.8697 -25.8697 -25.8404 -25.8404 11.9690 11.9690 12.3305 12.3305 13.0615 13.0615 13.3524 13.3524 13.7981 13.7981 14.9563 14.9563 16.9911 16.9911 17.6254 17.6254 19.1857 19.1857 20.9131 20.9131 k = 0.2754 0.5000 0.2754 ( 1610 PWs) bands (ev): -69.5810 -69.5810 -38.0004 -38.0004 -25.8691 -25.8691 -25.8382 -25.8382 11.9341 11.9341 12.3143 12.3143 13.0492 13.0492 13.3420 13.3420 13.8081 13.8081 14.9595 14.9595 16.9955 16.9955 17.6368 17.6368 19.0661 19.0661 20.8963 20.8963 k = 0.2681 0.5000 0.2681 ( 1602 PWs) bands (ev): -69.5811 -69.5811 -37.9999 -37.9999 -25.8685 -25.8685 -25.8359 -25.8359 11.9000 11.9000 12.3007 12.3007 13.0356 13.0356 13.3353 13.3353 13.8197 13.8197 14.9604 14.9604 17.0001 17.0001 17.6457 17.6457 18.9461 18.9461 20.8806 20.8806 k = 0.2609 0.5000 0.2609 ( 1610 PWs) bands (ev): -69.5812 -69.5812 -37.9994 -37.9994 -25.8681 -25.8681 -25.8336 -25.8336 11.8668 11.8668 12.2897 12.2897 13.0210 13.0210 13.3324 13.3324 13.8330 13.8330 14.9590 14.9590 17.0047 17.0047 17.6520 17.6520 18.8259 18.8259 20.8657 20.8657 k = 0.2536 0.5000 0.2536 ( 1622 PWs) bands (ev): -69.5813 -69.5813 -37.9989 -37.9989 -25.8676 -25.8676 -25.8314 -25.8314 11.8346 11.8346 12.2811 12.2811 13.0055 13.0055 13.3328 13.3328 13.8482 13.8482 14.9555 14.9555 17.0094 17.0094 17.6557 17.6557 18.7056 18.7056 20.8515 20.8515 k = 0.2464 0.5000 0.2464 ( 1622 PWs) bands (ev): -69.5814 -69.5814 -37.9985 -37.9985 -25.8671 -25.8671 -25.8292 -25.8292 11.8035 11.8035 12.2749 12.2749 12.9897 12.9897 13.3365 13.3365 13.8655 13.8655 14.9500 14.9500 17.0142 17.0142 17.6570 17.6570 18.5854 18.5854 20.8376 20.8376 k = 0.2391 0.5000 0.2391 ( 1606 PWs) bands (ev): -69.5814 -69.5814 -37.9980 -37.9980 -25.8666 -25.8666 -25.8270 -25.8270 11.7735 11.7735 12.2712 12.2712 12.9739 12.9739 13.3431 13.3431 13.8849 13.8849 14.9426 14.9426 17.0191 17.0191 17.6558 17.6558 18.4656 18.4656 20.8237 20.8237 k = 0.2319 0.5000 0.2319 ( 1606 PWs) bands (ev): -69.5815 -69.5815 -37.9975 -37.9975 -25.8662 -25.8662 -25.8248 -25.8248 11.7446 11.7446 12.2696 12.2696 12.9581 12.9581 13.3525 13.3525 13.9065 13.9065 14.9335 14.9335 17.0239 17.0239 17.6521 17.6521 18.3463 18.3463 20.8095 20.8095 k = 0.2246 0.5000 0.2246 ( 1606 PWs) bands (ev): -69.5816 -69.5816 -37.9971 -37.9971 -25.8658 -25.8658 -25.8226 -25.8226 11.7169 11.7169 12.2702 12.2702 12.9426 12.9426 13.3643 13.3643 13.9305 13.9305 14.9229 14.9229 17.0284 17.0284 17.6459 17.6459 18.2278 18.2278 20.7944 20.7944 k = 0.2174 0.5000 0.2174 ( 1614 PWs) bands (ev): -69.5817 -69.5817 -37.9966 -37.9966 -25.8655 -25.8655 -25.8205 -25.8205 11.6903 11.6903 12.2727 12.2727 12.9276 12.9276 13.3786 13.3786 13.9570 13.9570 14.9109 14.9109 17.0326 17.0326 17.6371 17.6371 18.1105 18.1105 20.7781 20.7781 k = 0.2101 0.5000 0.2101 ( 1610 PWs) bands (ev): -69.5818 -69.5818 -37.9962 -37.9962 -25.8651 -25.8651 -25.8184 -25.8184 11.6649 11.6649 12.2772 12.2772 12.9134 12.9134 13.3951 13.3951 13.9862 13.9862 14.8977 14.8977 17.0364 17.0364 17.6256 17.6256 17.9951 17.9951 20.7600 20.7600 k = 0.2029 0.5000 0.2029 ( 1610 PWs) bands (ev): -69.5819 -69.5819 -37.9958 -37.9958 -25.8648 -25.8648 -25.8164 -25.8164 11.6406 11.6406 12.2836 12.2836 12.8999 12.8999 13.4138 13.4138 14.0180 14.0180 14.8835 14.8835 17.0392 17.0392 17.6106 17.6106 17.8826 17.8826 20.7396 20.7396 k = 0.1957 0.5000 0.1957 ( 1610 PWs) bands (ev): -69.5820 -69.5820 -37.9954 -37.9954 -25.8645 -25.8645 -25.8144 -25.8144 11.6174 11.6174 12.2917 12.2917 12.8871 12.8871 13.4346 13.4346 14.0527 14.0527 14.8686 14.8686 17.0407 17.0407 17.5903 17.5903 17.7759 17.7759 20.7163 20.7163 k = 0.1884 0.5000 0.1884 ( 1610 PWs) bands (ev): -69.5820 -69.5820 -37.9950 -37.9950 -25.8642 -25.8642 -25.8124 -25.8124 11.5953 11.5953 12.3013 12.3013 12.8753 12.8753 13.4575 13.4575 14.0903 14.0903 14.8530 14.8530 17.0399 17.0399 17.5579 17.5579 17.6825 17.6825 20.6894 20.6894 k = 0.1812 0.5000 0.1812 ( 1610 PWs) bands (ev): -69.5821 -69.5821 -37.9946 -37.9946 -25.8640 -25.8640 -25.8105 -25.8105 11.5742 11.5742 12.3125 12.3125 12.8643 12.8643 13.4824 13.4824 14.1310 14.1310 14.8371 14.8371 17.0354 17.0354 17.4990 17.4990 17.6190 17.6190 20.6575 20.6575 k = 0.1739 0.5000 0.1739 ( 1610 PWs) bands (ev): -69.5822 -69.5822 -37.9942 -37.9942 -25.8638 -25.8638 -25.8087 -25.8087 11.5542 11.5542 12.3250 12.3250 12.8542 12.8542 13.5092 13.5092 14.1748 14.1748 14.8210 14.8210 17.0242 17.0242 17.4187 17.4187 17.5830 17.5830 20.6140 20.6140 k = 0.1667 0.5000 0.1667 ( 1596 PWs) bands (ev): -69.5822 -69.5822 -37.9939 -37.9939 -25.8636 -25.8636 -25.8068 -25.8068 11.5352 11.5352 12.3387 12.3387 12.8450 12.8450 13.5381 13.5381 14.2217 14.2217 14.8049 14.8049 17.0014 17.0014 17.3402 17.3402 17.5568 17.5568 20.5046 20.5046 k = 0.1594 0.5000 0.1594 ( 1608 PWs) bands (ev): -69.5823 -69.5823 -37.9935 -37.9935 -25.8634 -25.8634 -25.8051 -25.8051 11.5171 11.5171 12.3534 12.3534 12.8365 12.8365 13.5687 13.5687 14.2718 14.2718 14.7891 14.7891 16.9603 16.9603 17.2772 17.2772 17.5332 17.5332 20.3350 20.3350 k = 0.1522 0.5000 0.1522 ( 1608 PWs) bands (ev): -69.5824 -69.5824 -37.9932 -37.9932 -25.8633 -25.8633 -25.8034 -25.8034 11.5000 11.5000 12.3691 12.3691 12.8290 12.8290 13.6012 13.6012 14.3250 14.3250 14.7736 14.7736 16.8975 16.8975 17.2358 17.2358 17.5102 17.5102 20.1592 20.1592 k = 0.1449 0.5000 0.1449 ( 1608 PWs) bands (ev): -69.5825 -69.5825 -37.9929 -37.9929 -25.8632 -25.8632 -25.8018 -25.8018 11.4838 11.4838 12.3855 12.3855 12.8222 12.8222 13.6356 13.6356 14.3815 14.3815 14.7589 14.7589 16.8168 16.8168 17.2128 17.2128 17.4873 17.4873 19.9831 19.9831 k = 0.1377 0.5000 0.1377 ( 1608 PWs) bands (ev): -69.5825 -69.5825 -37.9926 -37.9926 -25.8631 -25.8631 -25.8003 -25.8003 11.4685 11.4685 12.4025 12.4025 12.8163 12.8163 13.6717 13.6717 14.4409 14.4409 14.7451 14.7451 16.7253 16.7253 17.2015 17.2015 17.4642 17.4642 19.8078 19.8078 k = 0.1304 0.5000 0.1304 ( 1610 PWs) bands (ev): -69.5826 -69.5826 -37.9923 -37.9923 -25.8630 -25.8630 -25.7988 -25.7988 11.4541 11.4541 12.4200 12.4200 12.8110 12.8110 13.7095 13.7095 14.5029 14.5029 14.7328 14.7328 16.6283 16.6283 17.1970 17.1970 17.4409 17.4409 19.6338 19.6338 k = 0.1232 0.5000 0.1232 ( 1606 PWs) bands (ev): -69.5826 -69.5826 -37.9921 -37.9921 -25.8629 -25.8629 -25.7974 -25.7974 11.4405 11.4405 12.4377 12.4377 12.8064 12.8064 13.7489 13.7489 14.5666 14.5666 14.7232 14.7232 16.5288 16.5288 17.1963 17.1963 17.4177 17.4177 19.4614 19.4614 k = 0.1159 0.5000 0.1159 ( 1610 PWs) bands (ev): -69.5827 -69.5827 -37.9918 -37.9918 -25.8629 -25.8629 -25.7960 -25.7960 11.4278 11.4278 12.4555 12.4555 12.8024 12.8024 13.7898 13.7898 14.6275 14.6275 14.7205 14.7205 16.4285 16.4285 17.1980 17.1980 17.3944 17.3944 19.2910 19.2910 k = 0.1087 0.5000 0.1087 ( 1610 PWs) bands (ev): -69.5828 -69.5828 -37.9916 -37.9916 -25.8628 -25.8628 -25.7948 -25.7948 11.4158 11.4158 12.4733 12.4733 12.7990 12.7990 13.8322 13.8322 14.6658 14.6658 14.7448 14.7448 16.3285 16.3285 17.2010 17.2010 17.3713 17.3713 19.1229 19.1229 k = 0.1014 0.5000 0.1014 ( 1610 PWs) bands (ev): -69.5828 -69.5828 -37.9914 -37.9914 -25.8628 -25.8628 -25.7936 -25.7936 11.4047 11.4047 12.4909 12.4909 12.7961 12.7961 13.8758 13.8758 14.6715 14.6715 14.8059 14.8059 16.2295 16.2295 17.2049 17.2049 17.3484 17.3484 18.9575 18.9575 k = 0.0942 0.5000 0.0942 ( 1614 PWs) bands (ev): -69.5829 -69.5829 -37.9912 -37.9912 -25.8628 -25.8628 -25.7925 -25.7925 11.3943 11.3943 12.5080 12.5080 12.7936 12.7936 13.9204 13.9204 14.6685 14.6685 14.8798 14.8798 16.1319 16.1319 17.2092 17.2092 17.3260 17.3260 18.7952 18.7952 k = 0.0870 0.5000 0.0870 ( 1622 PWs) bands (ev): -69.5829 -69.5829 -37.9910 -37.9910 -25.8628 -25.8628 -25.7915 -25.7915 11.3847 11.3847 12.5246 12.5246 12.7916 12.7916 13.9659 13.9659 14.6649 14.6649 14.9582 14.9582 16.0363 16.0363 17.2135 17.2135 17.3042 17.3042 18.6363 18.6363 k = 0.0797 0.5000 0.0797 ( 1618 PWs) bands (ev): -69.5829 -69.5829 -37.9908 -37.9908 -25.8628 -25.8628 -25.7905 -25.7905 11.3759 11.3759 12.5405 12.5405 12.7899 12.7899 14.0118 14.0118 14.6627 14.6627 15.0390 15.0390 15.9433 15.9433 17.2173 17.2173 17.2836 17.2836 18.4816 18.4816 k = 0.0725 0.5000 0.0725 ( 1618 PWs) bands (ev): -69.5830 -69.5830 -37.9907 -37.9907 -25.8628 -25.8628 -25.7896 -25.7896 11.3679 11.3679 12.5556 12.5556 12.7886 12.7886 14.0578 14.0578 14.6623 14.6623 15.1207 15.1207 15.8537 15.8537 17.2187 17.2187 17.2658 17.2658 18.3317 18.3317 k = 0.0652 0.5000 0.0652 ( 1618 PWs) bands (ev): -69.5830 -69.5830 -37.9905 -37.9905 -25.8628 -25.8628 -25.7888 -25.7888 11.3606 11.3606 12.5697 12.5697 12.7875 12.7875 14.1033 14.1033 14.6645 14.6645 15.2013 15.2013 15.7689 15.7689 17.2135 17.2135 17.2550 17.2550 18.1875 18.1875 k = 0.0580 0.5000 0.0580 ( 1618 PWs) bands (ev): -69.5830 -69.5830 -37.9904 -37.9904 -25.8628 -25.8628 -25.7881 -25.7881 11.3541 11.3541 12.5826 12.5826 12.7865 12.7865 14.1475 14.1475 14.6699 14.6699 15.2770 15.2770 15.6922 15.6922 17.1989 17.1989 17.2535 17.2535 18.0501 18.0501 k = 0.0507 0.5000 0.0507 ( 1618 PWs) bands (ev): -69.5831 -69.5831 -37.9903 -37.9903 -25.8628 -25.8628 -25.7875 -25.7875 11.3484 11.3484 12.5944 12.5944 12.7858 12.7858 14.1895 14.1895 14.6790 14.6790 15.3384 15.3384 15.6322 15.6322 17.1787 17.1787 17.2574 17.2574 17.9210 17.9210 k = 0.0435 0.5000 0.0435 ( 1628 PWs) bands (ev): -69.5831 -69.5831 -37.9902 -37.9902 -25.8629 -25.8629 -25.7869 -25.7869 11.3434 11.3434 12.6048 12.6048 12.7852 12.7852 14.2282 14.2282 14.6924 14.6924 15.3642 15.3642 15.6095 15.6095 17.1556 17.1556 17.2636 17.2636 17.8020 17.8020 k = 0.0362 0.5000 0.0362 ( 1628 PWs) bands (ev): -69.5831 -69.5831 -37.9901 -37.9901 -25.8629 -25.8629 -25.7865 -25.7865 11.3392 11.3392 12.6138 12.6138 12.7848 12.7848 14.2625 14.2625 14.7107 14.7107 15.3405 15.3405 15.6366 15.6366 17.1303 17.1303 17.2714 17.2714 17.6952 17.6952 k = 0.0290 0.5000 0.0290 ( 1634 PWs) bands (ev): -69.5832 -69.5832 -37.9900 -37.9900 -25.8629 -25.8629 -25.7861 -25.7861 11.3358 11.3358 12.6212 12.6212 12.7844 12.7844 14.2913 14.2913 14.7336 14.7336 15.2906 15.2906 15.6888 15.6888 17.1033 17.1033 17.2805 17.2805 17.6029 17.6029 k = 0.0217 0.5000 0.0217 ( 1630 PWs) bands (ev): -69.5832 -69.5832 -37.9900 -37.9900 -25.8629 -25.8629 -25.7858 -25.7858 11.3331 11.3331 12.6271 12.6271 12.7842 12.7842 14.3139 14.3139 14.7600 14.7600 15.2358 15.2358 15.7437 15.7437 17.0761 17.0761 17.2911 17.2911 17.5270 17.5270 k = 0.0145 0.5000 0.0145 ( 1622 PWs) bands (ev): -69.5832 -69.5832 -37.9899 -37.9899 -25.8629 -25.8629 -25.7856 -25.7856 11.3312 11.3312 12.6314 12.6314 12.7841 12.7841 14.3301 14.3301 14.7868 14.7868 15.1866 15.1866 15.7898 15.7898 17.0515 17.0515 17.3031 17.3031 17.4687 17.4687 k = 0.0072 0.5000 0.0072 ( 1622 PWs) bands (ev): -69.5832 -69.5832 -37.9899 -37.9899 -25.8629 -25.8629 -25.7854 -25.7854 11.3300 11.3300 12.6339 12.6339 12.7840 12.7840 14.3397 14.3397 14.8083 14.8083 15.1511 15.1511 15.8204 15.8204 17.0340 17.0340 17.3148 17.3148 17.4297 17.4297 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): -69.5832 -69.5832 -37.9899 -37.9899 -25.8629 -25.8629 -25.7854 -25.7854 11.3296 11.3296 12.6348 12.6348 12.7840 12.7840 14.3428 14.3428 14.8169 14.8169 15.1379 15.1379 15.8311 15.8311 17.0275 17.0275 17.3205 17.3205 17.4149 17.4149 k = 0.5000 0.5000-0.0000 ( 1628 PWs) bands (ev): -69.5815 -69.5815 -37.9971 -37.9971 -25.8789 -25.8789 -25.8086 -25.8086 10.4801 10.4801 11.2070 11.2070 12.7964 12.7964 13.0492 13.0492 16.7063 16.7063 16.8394 16.8394 17.0009 17.0009 17.6748 17.6748 19.0958 19.0958 21.3877 21.3877 k = 0.5000 0.5000 0.0102 ( 1628 PWs) bands (ev): -69.5815 -69.5815 -37.9971 -37.9971 -25.8789 -25.8789 -25.8087 -25.8087 10.4825 10.4825 11.2089 11.2089 12.7963 12.7963 13.0491 13.0491 16.7064 16.7064 16.8386 16.8386 16.9975 16.9975 17.6696 17.6696 19.0972 19.0972 21.3880 21.3880 k = 0.5000 0.5000 0.0204 ( 1628 PWs) bands (ev): -69.5815 -69.5815 -37.9972 -37.9972 -25.8789 -25.8789 -25.8089 -25.8089 10.4895 10.4895 11.2145 11.2145 12.7960 12.7960 13.0487 13.0487 16.7067 16.7067 16.8356 16.8356 16.9879 16.9879 17.6539 17.6539 19.1016 19.1016 21.3888 21.3888 k = 0.5000 0.5000 0.0306 ( 1628 PWs) bands (ev): -69.5815 -69.5815 -37.9972 -37.9972 -25.8789 -25.8789 -25.8093 -25.8093 10.5012 10.5012 11.2238 11.2238 12.7954 12.7954 13.0481 13.0481 16.7070 16.7070 16.8293 16.8293 16.9734 16.9734 17.6282 17.6282 19.1089 19.1089 21.3901 21.3901 k = 0.5000 0.5000 0.0408 ( 1632 PWs) bands (ev): -69.5815 -69.5815 -37.9974 -37.9974 -25.8790 -25.8790 -25.8098 -25.8098 10.5176 10.5176 11.2367 11.2367 12.7947 12.7947 13.0472 13.0472 16.7075 16.7075 16.8171 16.8171 16.9569 16.9569 17.5929 17.5929 19.1192 19.1192 21.3919 21.3919 k = 0.5000 0.5000 0.0510 ( 1632 PWs) bands (ev): -69.5815 -69.5815 -37.9975 -37.9975 -25.8790 -25.8790 -25.8105 -25.8105 10.5386 10.5386 11.2533 11.2533 12.7938 12.7938 13.0461 13.0461 16.7081 16.7081 16.7958 16.7958 16.9423 16.9423 17.5487 17.5487 19.1323 19.1323 21.3941 21.3941 k = 0.5000 0.5000 0.0612 ( 1624 PWs) bands (ev): -69.5814 -69.5814 -37.9976 -37.9976 -25.8790 -25.8790 -25.8113 -25.8113 10.5642 10.5642 11.2735 11.2735 12.7928 12.7928 13.0450 13.0450 16.7088 16.7088 16.7628 16.7628 16.9326 16.9326 17.4963 17.4963 19.1485 19.1485 21.3966 21.3966 k = 0.5000 0.5000 0.0714 ( 1624 PWs) bands (ev): -69.5814 -69.5814 -37.9978 -37.9978 -25.8791 -25.8791 -25.8123 -25.8123 10.5944 10.5944 11.2972 11.2972 12.7917 12.7917 13.0436 13.0436 16.7095 16.7095 16.7182 16.7182 16.9283 16.9283 17.4365 17.4365 19.1675 19.1675 21.3995 21.3995 k = 0.5000 0.5000 0.0816 ( 1624 PWs) bands (ev): -69.5814 -69.5814 -37.9980 -37.9980 -25.8792 -25.8792 -25.8134 -25.8134 10.6291 10.6291 11.3243 11.3243 12.7904 12.7904 13.0420 13.0420 16.6638 16.6638 16.7100 16.7100 16.9282 16.9282 17.3704 17.3704 19.1895 19.1895 21.4026 21.4026 k = 0.5000 0.5000 0.0918 ( 1632 PWs) bands (ev): -69.5813 -69.5813 -37.9982 -37.9982 -25.8793 -25.8793 -25.8147 -25.8147 10.6684 10.6684 11.3547 11.3547 12.7892 12.7892 13.0404 13.0404 16.6014 16.6014 16.7102 16.7102 16.9310 16.9310 17.2988 17.2988 19.2144 19.2144 21.4061 21.4061 k = 0.5000 0.5000 0.1020 ( 1632 PWs) bands (ev): -69.5813 -69.5813 -37.9985 -37.9985 -25.8793 -25.8793 -25.8161 -25.8161 10.7121 10.7121 11.3884 11.3884 12.7879 12.7879 13.0388 13.0388 16.5327 16.5327 16.7099 16.7099 16.9360 16.9360 17.2228 17.2228 19.2423 19.2423 21.4098 21.4098 k = 0.5000 0.5000 0.1122 ( 1624 PWs) bands (ev): -69.5812 -69.5812 -37.9987 -37.9987 -25.8794 -25.8794 -25.8175 -25.8175 10.7602 10.7602 11.4251 11.4251 12.7868 12.7868 13.0372 13.0372 16.4588 16.4588 16.7086 16.7086 16.9427 16.9427 17.1437 17.1437 19.2732 19.2732 21.4138 21.4138 k = 0.5000 0.5000 0.1224 ( 1616 PWs) bands (ev): -69.5812 -69.5812 -37.9990 -37.9990 -25.8795 -25.8795 -25.8191 -25.8191 10.8126 10.8126 11.4649 11.4649 12.7858 12.7858 13.0357 13.0357 16.3804 16.3804 16.7056 16.7056 16.9504 16.9504 17.0629 17.0629 19.3070 19.3070 21.4180 21.4180 k = 0.5000 0.5000 0.1327 ( 1624 PWs) bands (ev): -69.5811 -69.5811 -37.9994 -37.9994 -25.8796 -25.8796 -25.8209 -25.8209 10.8692 10.8692 11.5074 11.5074 12.7849 12.7849 13.0342 13.0342 16.2985 16.2985 16.6986 16.6986 16.9589 16.9589 16.9830 16.9830 19.3438 19.3438 21.4225 21.4225 k = 0.5000 0.5000 0.1429 ( 1624 PWs) bands (ev): -69.5811 -69.5811 -37.9997 -37.9997 -25.8797 -25.8797 -25.8227 -25.8227 10.9300 10.9300 11.5525 11.5525 12.7844 12.7844 13.0331 13.0331 16.2137 16.2137 16.6835 16.6835 16.9089 16.9089 16.9683 16.9683 19.3835 19.3835 21.4272 21.4272 k = 0.5000 0.5000 0.1531 ( 1616 PWs) bands (ev): -69.5810 -69.5810 -38.0000 -38.0000 -25.8798 -25.8798 -25.8246 -25.8246 10.9949 10.9949 11.6002 11.6002 12.7844 12.7844 13.0322 13.0322 16.1265 16.1265 16.6520 16.6520 16.8495 16.8495 16.9783 16.9783 19.4262 19.4262 21.4322 21.4322 k = 0.5000 0.5000 0.1633 ( 1616 PWs) bands (ev): -69.5809 -69.5809 -38.0004 -38.0004 -25.8799 -25.8799 -25.8266 -25.8266 11.0636 11.0636 11.6502 11.6502 12.7847 12.7847 13.0316 13.0316 16.0375 16.0375 16.5966 16.5966 16.8127 16.8127 16.9887 16.9887 19.4719 19.4719 21.4373 21.4373 k = 0.5000 0.5000 0.1735 ( 1616 PWs) bands (ev): -69.5809 -69.5809 -38.0008 -38.0008 -25.8801 -25.8801 -25.8287 -25.8287 11.1363 11.1363 11.7023 11.7023 12.7855 12.7855 13.0315 13.0315 15.9471 15.9471 16.5214 16.5214 16.7946 16.7946 16.9995 16.9995 19.5206 19.5206 21.4427 21.4427 k = 0.5000 0.5000 0.1837 ( 1624 PWs) bands (ev): -69.5808 -69.5808 -38.0012 -38.0012 -25.8802 -25.8802 -25.8310 -25.8310 11.2125 11.2125 11.7563 11.7563 12.7869 12.7869 13.0317 13.0317 15.8557 15.8557 16.4355 16.4355 16.7868 16.7868 17.0103 17.0103 19.5722 19.5722 21.4481 21.4481 k = 0.5000 0.5000 0.1939 ( 1624 PWs) bands (ev): -69.5807 -69.5807 -38.0016 -38.0016 -25.8803 -25.8803 -25.8332 -25.8332 11.2923 11.2923 11.8120 11.8120 12.7891 12.7891 13.0325 13.0325 15.7637 15.7637 16.3444 16.3444 16.7839 16.7839 17.0213 17.0213 19.6268 19.6268 21.4538 21.4538 k = 0.5000 0.5000 0.2041 ( 1616 PWs) bands (ev): -69.5807 -69.5807 -38.0020 -38.0020 -25.8805 -25.8805 -25.8354 -25.8354 11.3755 11.3755 11.8691 11.8691 12.7922 12.7922 13.0340 13.0340 15.6715 15.6715 16.2508 16.2508 16.7836 16.7836 17.0325 17.0325 19.6842 19.6842 21.4596 21.4596 k = 0.5000 0.5000 0.2143 ( 1616 PWs) bands (ev): -69.5806 -69.5806 -38.0024 -38.0024 -25.8806 -25.8806 -25.8378 -25.8378 11.4618 11.4618 11.9274 11.9274 12.7962 12.7962 13.0361 13.0361 15.5793 15.5793 16.1561 16.1561 16.7849 16.7849 17.0434 17.0434 19.7445 19.7445 21.4654 21.4654 k = 0.5000 0.5000 0.2245 ( 1616 PWs) bands (ev): -69.5805 -69.5805 -38.0029 -38.0029 -25.8807 -25.8807 -25.8401 -25.8401 11.5509 11.5509 11.9868 11.9868 12.8014 12.8014 13.0390 13.0390 15.4874 15.4874 16.0610 16.0610 16.7870 16.7870 17.0540 17.0540 19.8077 19.8077 21.4714 21.4714 k = 0.5000 0.5000 0.2347 ( 1616 PWs) bands (ev): -69.5804 -69.5804 -38.0033 -38.0033 -25.8809 -25.8809 -25.8425 -25.8425 11.6427 11.6427 12.0468 12.0468 12.8079 12.8079 13.0427 13.0427 15.3961 15.3961 15.9661 15.9661 16.7898 16.7898 17.0641 17.0641 19.8735 19.8735 21.4774 21.4774 k = 0.5000 0.5000 0.2449 ( 1596 PWs) bands (ev): -69.5803 -69.5803 -38.0037 -38.0037 -25.8810 -25.8810 -25.8448 -25.8448 11.7367 11.7367 12.1074 12.1074 12.8159 12.8159 13.0473 13.0473 15.3057 15.3057 15.8719 15.8719 16.7931 16.7931 17.0738 17.0738 19.9421 19.9421 21.4835 21.4835 k = 0.5000 0.5000 0.2551 ( 1596 PWs) bands (ev): -69.5803 -69.5803 -38.0041 -38.0041 -25.8811 -25.8811 -25.8472 -25.8472 11.8326 11.8326 12.1680 12.1680 12.8257 12.8257 13.0529 13.0529 15.2163 15.2163 15.7785 15.7785 16.7966 16.7966 17.0825 17.0825 20.0132 20.0132 21.4896 21.4896 k = 0.5000 0.5000 0.2653 ( 1604 PWs) bands (ev): -69.5802 -69.5802 -38.0046 -38.0046 -25.8813 -25.8813 -25.8496 -25.8496 11.9298 11.9298 12.2285 12.2285 12.8375 12.8375 13.0594 13.0594 15.1281 15.1281 15.6863 15.6863 16.8003 16.8003 17.0904 17.0904 20.0868 20.0868 21.4956 21.4956 k = 0.5000 0.5000 0.2755 ( 1604 PWs) bands (ev): -69.5801 -69.5801 -38.0050 -38.0050 -25.8814 -25.8814 -25.8520 -25.8520 12.0277 12.0277 12.2887 12.2887 12.8519 12.8519 13.0671 13.0671 15.0414 15.0414 15.5955 15.5955 16.8041 16.8041 17.0971 17.0971 20.1627 20.1627 21.5017 21.5017 k = 0.5000 0.5000 0.2857 ( 1604 PWs) bands (ev): -69.5801 -69.5801 -38.0055 -38.0055 -25.8816 -25.8816 -25.8544 -25.8544 12.1254 12.1254 12.3481 12.3481 12.8694 12.8694 13.0760 13.0760 14.9564 14.9564 15.5063 15.5063 16.8080 16.8080 17.1025 17.1025 20.2406 20.2406 21.5076 21.5076 k = 0.5000 0.5000 0.2959 ( 1604 PWs) bands (ev): -69.5800 -69.5800 -38.0059 -38.0059 -25.8817 -25.8817 -25.8567 -25.8567 12.2219 12.2219 12.4065 12.4065 12.8907 12.8907 13.0860 13.0860 14.8734 14.8734 15.4188 15.4188 16.8120 16.8120 17.1065 17.1065 20.3205 20.3205 21.5135 21.5135 k = 0.5000 0.5000 0.3061 ( 1612 PWs) bands (ev): -69.5799 -69.5799 -38.0063 -38.0063 -25.8819 -25.8819 -25.8590 -25.8590 12.3158 12.3158 12.4636 12.4636 12.9169 12.9169 13.0973 13.0973 14.7925 14.7925 15.3333 15.3333 16.8160 16.8160 17.1087 17.1087 20.4021 20.4021 21.5193 21.5193 k = 0.5000 0.5000 0.3163 ( 1612 PWs) bands (ev): -69.5799 -69.5799 -38.0067 -38.0067 -25.8820 -25.8820 -25.8612 -25.8612 12.4054 12.4054 12.5192 12.5192 12.9493 12.9493 13.1099 13.1099 14.7140 14.7140 15.2499 15.2499 16.8200 16.8200 17.1092 17.1092 20.4851 20.4851 21.5249 21.5249 k = 0.5000 0.5000 0.3265 ( 1612 PWs) bands (ev): -69.5798 -69.5798 -38.0071 -38.0071 -25.8821 -25.8821 -25.8634 -25.8634 12.4885 12.4885 12.5729 12.5729 12.9893 12.9893 13.1238 13.1238 14.6383 14.6383 15.1687 15.1687 16.8240 16.8240 17.1076 17.1076 20.5691 20.5691 21.5304 21.5304 k = 0.5000 0.5000 0.3367 ( 1616 PWs) bands (ev): -69.5797 -69.5797 -38.0075 -38.0075 -25.8823 -25.8823 -25.8655 -25.8655 12.5634 12.5634 12.6244 12.6244 13.0381 13.0381 13.1390 13.1390 14.5658 14.5658 15.0901 15.0901 16.8279 16.8279 17.1036 17.1036 20.6537 20.6537 21.5356 21.5356 k = 0.5000 0.5000 0.3469 ( 1616 PWs) bands (ev): -69.5797 -69.5797 -38.0079 -38.0079 -25.8824 -25.8824 -25.8675 -25.8675 12.6288 12.6288 12.6736 12.6736 13.0963 13.0963 13.1554 13.1554 14.4969 14.4969 15.0140 15.0140 16.8317 16.8317 17.0975 17.0975 20.7386 20.7386 21.5406 21.5406 k = 0.5000 0.5000 0.3571 ( 1616 PWs) bands (ev): -69.5796 -69.5796 -38.0082 -38.0082 -25.8825 -25.8825 -25.8694 -25.8694 12.6848 12.6848 12.7201 12.7201 13.1626 13.1626 13.1731 13.1731 14.4322 14.4322 14.9407 14.9407 16.8353 16.8353 17.0889 17.0889 20.8232 20.8232 21.5453 21.5453 k = 0.5000 0.5000 0.3673 ( 1604 PWs) bands (ev): -69.5795 -69.5795 -38.0086 -38.0086 -25.8826 -25.8826 -25.8711 -25.8711 12.7325 12.7325 12.7638 12.7638 13.1918 13.1918 13.2346 13.2346 14.3727 14.3727 14.8705 14.8705 16.8389 16.8389 17.0780 17.0780 20.9070 20.9070 21.5496 21.5496 k = 0.5000 0.5000 0.3776 ( 1604 PWs) bands (ev): -69.5795 -69.5795 -38.0089 -38.0089 -25.8827 -25.8827 -25.8729 -25.8729 12.7737 12.7737 12.8046 12.8046 13.2114 13.2114 13.3086 13.3086 14.3195 14.3195 14.8034 14.8034 16.8423 16.8423 17.0645 17.0645 20.9894 20.9894 21.5531 21.5531 k = 0.5000 0.5000 0.3878 ( 1604 PWs) bands (ev): -69.5794 -69.5794 -38.0092 -38.0092 -25.8828 -25.8828 -25.8745 -25.8745 12.8102 12.8102 12.8424 12.8424 13.2316 13.2316 13.3806 13.3806 14.2741 14.2741 14.7398 14.7398 16.8454 16.8454 17.0485 17.0485 21.0696 21.0696 21.5536 21.5536 k = 0.5000 0.5000 0.3980 ( 1604 PWs) bands (ev): -69.5794 -69.5794 -38.0094 -38.0094 -25.8829 -25.8829 -25.8760 -25.8760 12.8434 12.8434 12.8771 12.8771 13.2521 13.2521 13.4463 13.4463 14.2387 14.2387 14.6798 14.6798 16.8484 16.8484 17.0303 17.0303 21.1470 21.1470 21.5053 21.5053 k = 0.5000 0.5000 0.4082 ( 1604 PWs) bands (ev): -69.5793 -69.5793 -38.0097 -38.0097 -25.8830 -25.8830 -25.8773 -25.8773 12.8743 12.8743 12.9086 12.9086 13.2726 13.2726 13.5016 13.5016 14.2157 14.2157 14.6238 14.6238 16.8512 16.8512 17.0103 17.0103 21.2207 21.2207 21.3983 21.3983 k = 0.5000 0.5000 0.4184 ( 1604 PWs) bands (ev): -69.5793 -69.5793 -38.0099 -38.0099 -25.8830 -25.8830 -25.8786 -25.8786 12.9033 12.9033 12.9370 12.9370 13.2926 13.2926 13.5427 13.5427 14.2071 14.2071 14.5721 14.5721 16.8537 16.8537 16.9888 16.9888 21.2899 21.2899 21.2970 21.2970 k = 0.5000 0.5000 0.4286 ( 1612 PWs) bands (ev): -69.5793 -69.5793 -38.0101 -38.0101 -25.8831 -25.8831 -25.8797 -25.8797 12.9308 12.9308 12.9622 12.9622 13.3117 13.3117 13.5678 13.5678 14.2133 14.2133 14.5251 14.5251 16.8560 16.8560 16.9665 16.9665 21.2057 21.2057 21.3538 21.3538 k = 0.5000 0.5000 0.4388 ( 1612 PWs) bands (ev): -69.5793 -69.5793 -38.0103 -38.0103 -25.8832 -25.8832 -25.8806 -25.8806 12.9567 12.9567 12.9843 12.9843 13.3296 13.3296 13.5781 13.5781 14.2320 14.2320 14.4830 14.4830 16.8580 16.8580 16.9442 16.9442 21.1253 21.1253 21.4114 21.4114 k = 0.5000 0.5000 0.4490 ( 1612 PWs) bands (ev): -69.5792 -69.5792 -38.0105 -38.0105 -25.8833 -25.8833 -25.8815 -25.8815 12.9808 12.9808 13.0031 13.0031 13.3456 13.3456 13.5769 13.5769 14.2590 14.2590 14.4464 14.4464 16.8597 16.8597 16.9229 16.9229 21.0565 21.0565 21.4619 21.4619 k = 0.5000 0.5000 0.4592 ( 1612 PWs) bands (ev): -69.5792 -69.5792 -38.0106 -38.0106 -25.8833 -25.8833 -25.8821 -25.8821 13.0023 13.0023 13.0187 13.0187 13.3595 13.3595 13.5687 13.5687 14.2888 14.2888 14.4156 14.4156 16.8611 16.8611 16.9034 16.9034 20.9996 20.9996 21.5045 21.5045 k = 0.5000 0.5000 0.4694 ( 1616 PWs) bands (ev): -69.5792 -69.5792 -38.0107 -38.0107 -25.8833 -25.8833 -25.8827 -25.8827 13.0207 13.0207 13.0309 13.0309 13.3708 13.3708 13.5575 13.5575 14.3168 14.3168 14.3911 14.3911 16.8622 16.8622 16.8869 16.8869 20.9550 20.9550 21.5385 21.5385 k = 0.5000 0.5000 0.4796 ( 1632 PWs) bands (ev): -69.5792 -69.5792 -38.0108 -38.0108 -25.8834 -25.8834 -25.8831 -25.8831 13.0347 13.0347 13.0396 13.0396 13.3790 13.3790 13.5470 13.5470 14.3393 14.3393 14.3733 14.3733 16.8630 16.8630 16.8743 16.8743 20.9230 20.9230 21.5633 21.5633 k = 0.5000 0.5000 0.4898 ( 1640 PWs) bands (ev): -69.5793 -69.5793 -38.0108 -38.0108 -25.8834 -25.8834 -25.8834 -25.8834 13.0436 13.0436 13.0449 13.0449 13.3841 13.3841 13.5395 13.5395 14.3538 14.3538 14.3625 14.3625 16.8634 16.8634 16.8663 16.8663 20.9037 20.9037 21.5783 21.5783 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): -69.5793 -69.5793 -38.0109 -38.0109 -25.8834 -25.8834 -25.8834 -25.8834 13.0467 13.0467 13.0467 13.0467 13.3858 13.3858 13.5369 13.5369 14.3589 14.3589 14.3589 14.3589 16.8636 16.8636 16.8636 16.8636 20.8973 20.8973 21.5833 21.5833 Writing output data file ZrOs.save init_run : 0.47s CPU 0.65s WALL ( 1 calls) electrons : 38.79s CPU 39.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 38.78s CPU 39.77s 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 : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 375 calls) cegterg : 35.08s CPU 35.79s WALL ( 390 calls) Called by sum_band: Called by *egterg: h_psi : 17.36s CPU 17.82s WALL ( 6087 calls) s_psi : 0.53s CPU 0.53s WALL ( 6087 calls) g_psi : 0.07s CPU 0.05s WALL ( 5322 calls) cdiaghg : 16.76s CPU 17.25s WALL ( 5697 calls) cegterg:over : 1.32s CPU 1.23s WALL ( 5322 calls) cegterg:upda : 0.88s CPU 0.86s WALL ( 5322 calls) cegterg:last : 0.47s CPU 0.51s WALL ( 1144 calls) cdiaghg:chol : 0.82s CPU 0.86s WALL ( 5697 calls) cdiaghg:inve : 0.32s CPU 0.30s WALL ( 5697 calls) cdiaghg:para : 1.04s CPU 1.12s WALL ( 11394 calls) Called by h_psi: h_psi:vloc : 15.83s CPU 16.28s WALL ( 6087 calls) h_psi:vnl : 1.48s CPU 1.51s WALL ( 6087 calls) add_vuspsi : 0.76s CPU 0.80s WALL ( 6087 calls) General routines calbec : 0.68s CPU 0.70s WALL ( 6087 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 15.03s CPU 15.49s WALL ( 416108 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.08s WALL ( 750 calls) Parallel routines fft_scatter : 8.16s CPU 8.27s WALL ( 416131 calls) PWSCF : 46.46s CPU 57.12s WALL This run was terminated on: 21: 4: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=