Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:10:41 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: ./ZrRu.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 27 27 8 625 625 102 Max 28 28 9 629 629 106 Sum 973 973 293 22575 22575 3743 bravais-lattice index = 14 lattice parameter (alat) = 6.1473 a.u. unit-cell volume = 232.2997 (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 = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.147279 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 Ru read from file: /users/gautes/Pseudo/Ru.rel-pbe-oncvpsp.UPF MD5 check sum: 58833c0d2965a9b0fe5de673113ce18e Pseudo is Norm-conserving, Zval = 16.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1584 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 atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Ru 16.00 101.07000 Ru( 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: 22575 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 170, 28) NL pseudopotentials 0.06 Mb ( 85, 50) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 629) G-vector shells 0.00 Mb ( 173) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 170, 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 : ./ZrRu.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 1.1 secs Computing kpt #: 2 total cpu time spent up to now is 1.2 secs Computing kpt #: 3 total cpu time spent up to now is 1.3 secs Computing kpt #: 4 total cpu time spent up to now is 1.4 secs Computing kpt #: 5 total cpu time spent up to now is 1.6 secs Computing kpt #: 6 total cpu time spent up to now is 1.7 secs Computing kpt #: 7 total cpu time spent up to now is 1.8 secs Computing kpt #: 8 total cpu time spent up to now is 1.9 secs Computing kpt #: 9 total cpu time spent up to now is 2.1 secs Computing kpt #: 10 total cpu time spent up to now is 2.2 secs Computing kpt #: 11 total cpu time spent up to now is 2.3 secs Computing kpt #: 12 total cpu time spent up to now is 2.4 secs Computing kpt #: 13 total cpu time spent up to now is 2.5 secs Computing kpt #: 14 total cpu time spent up to now is 2.6 secs Computing kpt #: 15 total cpu time spent up to now is 2.8 secs Computing kpt #: 16 total cpu time spent up to now is 2.9 secs Computing kpt #: 17 total cpu time spent up to now is 3.0 secs Computing kpt #: 18 total cpu time spent up to now is 3.1 secs Computing kpt #: 19 total cpu time spent up to now is 3.2 secs Computing kpt #: 20 total cpu time spent up to now is 3.3 secs Computing kpt #: 21 total cpu time spent up to now is 3.4 secs Computing kpt #: 22 total cpu time spent up to now is 3.5 secs Computing kpt #: 23 total cpu time spent up to now is 3.6 secs Computing kpt #: 24 total cpu time spent up to now is 3.7 secs Computing kpt #: 25 total cpu time spent up to now is 3.8 secs Computing kpt #: 26 total cpu time spent up to now is 4.0 secs Computing kpt #: 27 total cpu time spent up to now is 4.1 secs Computing kpt #: 28 total cpu time spent up to now is 4.2 secs Computing kpt #: 29 total cpu time spent up to now is 4.3 secs Computing kpt #: 30 total cpu time spent up to now is 4.4 secs Computing kpt #: 31 total cpu time spent up to now is 4.5 secs Computing kpt #: 32 total cpu time spent up to now is 4.6 secs Computing kpt #: 33 total cpu time spent up to now is 4.7 secs Computing kpt #: 34 total cpu time spent up to now is 4.8 secs Computing kpt #: 35 total cpu time spent up to now is 4.9 secs Computing kpt #: 36 total cpu time spent up to now is 5.0 secs Computing kpt #: 37 total cpu time spent up to now is 5.1 secs Computing kpt #: 38 total cpu time spent up to now is 5.2 secs Computing kpt #: 39 total cpu time spent up to now is 5.3 secs Computing kpt #: 40 total cpu time spent up to now is 5.4 secs Computing kpt #: 41 total cpu time spent up to now is 5.5 secs Computing kpt #: 42 total cpu time spent up to now is 5.6 secs Computing kpt #: 43 total cpu time spent up to now is 5.7 secs Computing kpt #: 44 total cpu time spent up to now is 5.8 secs Computing kpt #: 45 total cpu time spent up to now is 5.9 secs Computing kpt #: 46 total cpu time spent up to now is 6.0 secs Computing kpt #: 47 total cpu time spent up to now is 6.1 secs Computing kpt #: 48 total cpu time spent up to now is 6.2 secs Computing kpt #: 49 total cpu time spent up to now is 6.3 secs Computing kpt #: 50 total cpu time spent up to now is 6.4 secs Computing kpt #: 51 total cpu time spent up to now is 6.5 secs Computing kpt #: 52 total cpu time spent up to now is 6.6 secs Computing kpt #: 53 total cpu time spent up to now is 6.7 secs Computing kpt #: 54 total cpu time spent up to now is 6.8 secs Computing kpt #: 55 total cpu time spent up to now is 6.9 secs Computing kpt #: 56 total cpu time spent up to now is 6.9 secs Computing kpt #: 57 total cpu time spent up to now is 7.0 secs Computing kpt #: 58 total cpu time spent up to now is 7.1 secs Computing kpt #: 59 total cpu time spent up to now is 7.2 secs Computing kpt #: 60 total cpu time spent up to now is 7.3 secs Computing kpt #: 61 total cpu time spent up to now is 7.4 secs Computing kpt #: 62 total cpu time spent up to now is 7.5 secs Computing kpt #: 63 total cpu time spent up to now is 7.6 secs Computing kpt #: 64 total cpu time spent up to now is 7.7 secs Computing kpt #: 65 total cpu time spent up to now is 7.8 secs Computing kpt #: 66 total cpu time spent up to now is 7.9 secs Computing kpt #: 67 total cpu time spent up to now is 8.0 secs Computing kpt #: 68 total cpu time spent up to now is 8.1 secs Computing kpt #: 69 total cpu time spent up to now is 8.2 secs Computing kpt #: 70 total cpu time spent up to now is 8.3 secs Computing kpt #: 71 total cpu time spent up to now is 8.5 secs Computing kpt #: 72 total cpu time spent up to now is 8.6 secs Computing kpt #: 73 total cpu time spent up to now is 8.7 secs Computing kpt #: 74 total cpu time spent up to now is 8.8 secs Computing kpt #: 75 total cpu time spent up to now is 8.9 secs Computing kpt #: 76 total cpu time spent up to now is 9.0 secs Computing kpt #: 77 total cpu time spent up to now is 9.1 secs Computing kpt #: 78 total cpu time spent up to now is 9.2 secs Computing kpt #: 79 total cpu time spent up to now is 9.4 secs Computing kpt #: 80 total cpu time spent up to now is 9.5 secs Computing kpt #: 81 total cpu time spent up to now is 9.6 secs Computing kpt #: 82 total cpu time spent up to now is 9.7 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 10.1 secs Computing kpt #: 86 total cpu time spent up to now is 10.2 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 10.6 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 11.5 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 11.9 secs Computing kpt #: 99 total cpu time spent up to now is 12.0 secs Computing kpt #: 100 total cpu time spent up to now is 12.2 secs Computing kpt #: 101 total cpu time spent up to now is 12.4 secs Computing kpt #: 102 total cpu time spent up to now is 12.5 secs Computing kpt #: 103 total cpu time spent up to now is 12.7 secs Computing kpt #: 104 total cpu time spent up to now is 12.8 secs Computing kpt #: 105 total cpu time spent up to now is 13.0 secs Computing kpt #: 106 total cpu time spent up to now is 13.1 secs Computing kpt #: 107 total cpu time spent up to now is 13.2 secs Computing kpt #: 108 total cpu time spent up to now is 13.4 secs Computing kpt #: 109 total cpu time spent up to now is 13.5 secs Computing kpt #: 110 total cpu time spent up to now is 13.6 secs Computing kpt #: 111 total cpu time spent up to now is 13.8 secs Computing kpt #: 112 total cpu time spent up to now is 13.9 secs Computing kpt #: 113 total cpu time spent up to now is 14.0 secs Computing kpt #: 114 total cpu time spent up to now is 14.2 secs Computing kpt #: 115 total cpu time spent up to now is 14.3 secs Computing kpt #: 116 total cpu time spent up to now is 14.4 secs Computing kpt #: 117 total cpu time spent up to now is 14.5 secs Computing kpt #: 118 total cpu time spent up to now is 14.6 secs Computing kpt #: 119 total cpu time spent up to now is 14.8 secs Computing kpt #: 120 total cpu time spent up to now is 14.9 secs Computing kpt #: 121 total cpu time spent up to now is 15.0 secs Computing kpt #: 122 total cpu time spent up to now is 15.1 secs Computing kpt #: 123 total cpu time spent up to now is 15.2 secs Computing kpt #: 124 total cpu time spent up to now is 15.3 secs Computing kpt #: 125 total cpu time spent up to now is 15.4 secs Computing kpt #: 126 total cpu time spent up to now is 15.5 secs Computing kpt #: 127 total cpu time spent up to now is 15.6 secs Computing kpt #: 128 total cpu time spent up to now is 15.7 secs Computing kpt #: 129 total cpu time spent up to now is 15.8 secs Computing kpt #: 130 total cpu time spent up to now is 15.9 secs Computing kpt #: 131 total cpu time spent up to now is 16.0 secs Computing kpt #: 132 total cpu time spent up to now is 16.1 secs Computing kpt #: 133 total cpu time spent up to now is 16.2 secs Computing kpt #: 134 total cpu time spent up to now is 16.3 secs Computing kpt #: 135 total cpu time spent up to now is 16.4 secs Computing kpt #: 136 total cpu time spent up to now is 16.5 secs Computing kpt #: 137 total cpu time spent up to now is 16.6 secs Computing kpt #: 138 total cpu time spent up to now is 16.7 secs Computing kpt #: 139 total cpu time spent up to now is 16.8 secs Computing kpt #: 140 total cpu time spent up to now is 16.9 secs Computing kpt #: 141 total cpu time spent up to now is 17.0 secs Computing kpt #: 142 total cpu time spent up to now is 17.1 secs Computing kpt #: 143 total cpu time spent up to now is 17.2 secs Computing kpt #: 144 total cpu time spent up to now is 17.3 secs Computing kpt #: 145 total cpu time spent up to now is 17.4 secs Computing kpt #: 146 total cpu time spent up to now is 17.5 secs Computing kpt #: 147 total cpu time spent up to now is 17.6 secs Computing kpt #: 148 total cpu time spent up to now is 17.7 secs Computing kpt #: 149 total cpu time spent up to now is 17.8 secs Computing kpt #: 150 total cpu time spent up to now is 17.9 secs Computing kpt #: 151 total cpu time spent up to now is 18.0 secs Computing kpt #: 152 total cpu time spent up to now is 18.1 secs Computing kpt #: 153 total cpu time spent up to now is 18.2 secs Computing kpt #: 154 total cpu time spent up to now is 18.3 secs Computing kpt #: 155 total cpu time spent up to now is 18.4 secs Computing kpt #: 156 total cpu time spent up to now is 18.5 secs Computing kpt #: 157 total cpu time spent up to now is 18.6 secs Computing kpt #: 158 total cpu time spent up to now is 18.8 secs Computing kpt #: 159 total cpu time spent up to now is 18.9 secs Computing kpt #: 160 total cpu time spent up to now is 19.0 secs Computing kpt #: 161 total cpu time spent up to now is 19.1 secs Computing kpt #: 162 total cpu time spent up to now is 19.2 secs Computing kpt #: 163 total cpu time spent up to now is 19.3 secs Computing kpt #: 164 total cpu time spent up to now is 19.5 secs Computing kpt #: 165 total cpu time spent up to now is 19.6 secs Computing kpt #: 166 total cpu time spent up to now is 19.7 secs Computing kpt #: 167 total cpu time spent up to now is 19.9 secs Computing kpt #: 168 total cpu time spent up to now is 20.0 secs Computing kpt #: 169 total cpu time spent up to now is 20.1 secs Computing kpt #: 170 total cpu time spent up to now is 20.2 secs Computing kpt #: 171 total cpu time spent up to now is 20.3 secs Computing kpt #: 172 total cpu time spent up to now is 20.5 secs Computing kpt #: 173 total cpu time spent up to now is 20.6 secs Computing kpt #: 174 total cpu time spent up to now is 20.7 secs Computing kpt #: 175 total cpu time spent up to now is 20.8 secs Computing kpt #: 176 total cpu time spent up to now is 21.0 secs Computing kpt #: 177 total cpu time spent up to now is 21.1 secs Computing kpt #: 178 total cpu time spent up to now is 21.2 secs Computing kpt #: 179 total cpu time spent up to now is 21.3 secs Computing kpt #: 180 total cpu time spent up to now is 21.5 secs Computing kpt #: 181 total cpu time spent up to now is 21.6 secs Computing kpt #: 182 total cpu time spent up to now is 21.7 secs Computing kpt #: 183 total cpu time spent up to now is 21.8 secs Computing kpt #: 184 total cpu time spent up to now is 22.0 secs Computing kpt #: 185 total cpu time spent up to now is 22.1 secs Computing kpt #: 186 total cpu time spent up to now is 22.2 secs Computing kpt #: 187 total cpu time spent up to now is 22.3 secs Computing kpt #: 188 total cpu time spent up to now is 22.5 secs Computing kpt #: 189 total cpu time spent up to now is 22.6 secs Computing kpt #: 190 total cpu time spent up to now is 22.7 secs Computing kpt #: 191 total cpu time spent up to now is 22.9 secs Computing kpt #: 192 total cpu time spent up to now is 23.0 secs Computing kpt #: 193 total cpu time spent up to now is 23.1 secs Computing kpt #: 194 total cpu time spent up to now is 23.3 secs Computing kpt #: 195 total cpu time spent up to now is 23.4 secs Computing kpt #: 196 total cpu time spent up to now is 23.6 secs Computing kpt #: 197 total cpu time spent up to now is 23.7 secs Computing kpt #: 198 total cpu time spent up to now is 23.8 secs Computing kpt #: 199 total cpu time spent up to now is 24.0 secs Computing kpt #: 200 total cpu time spent up to now is 24.1 secs Computing kpt #: 201 total cpu time spent up to now is 24.2 secs Computing kpt #: 202 total cpu time spent up to now is 24.4 secs Computing kpt #: 203 total cpu time spent up to now is 24.5 secs Computing kpt #: 204 total cpu time spent up to now is 24.6 secs Computing kpt #: 205 total cpu time spent up to now is 24.8 secs Computing kpt #: 206 total cpu time spent up to now is 24.9 secs Computing kpt #: 207 total cpu time spent up to now is 25.1 secs Computing kpt #: 208 total cpu time spent up to now is 25.2 secs Computing kpt #: 209 total cpu time spent up to now is 25.3 secs Computing kpt #: 210 total cpu time spent up to now is 25.5 secs Computing kpt #: 211 total cpu time spent up to now is 25.6 secs Computing kpt #: 212 total cpu time spent up to now is 25.7 secs Computing kpt #: 213 total cpu time spent up to now is 25.8 secs Computing kpt #: 214 total cpu time spent up to now is 26.0 secs Computing kpt #: 215 total cpu time spent up to now is 26.1 secs Computing kpt #: 216 total cpu time spent up to now is 26.2 secs Computing kpt #: 217 total cpu time spent up to now is 26.3 secs Computing kpt #: 218 total cpu time spent up to now is 26.4 secs Computing kpt #: 219 total cpu time spent up to now is 26.5 secs Computing kpt #: 220 total cpu time spent up to now is 26.6 secs Computing kpt #: 221 total cpu time spent up to now is 26.7 secs Computing kpt #: 222 total cpu time spent up to now is 26.8 secs Computing kpt #: 223 total cpu time spent up to now is 26.9 secs Computing kpt #: 224 total cpu time spent up to now is 27.0 secs Computing kpt #: 225 total cpu time spent up to now is 27.1 secs Computing kpt #: 226 total cpu time spent up to now is 27.2 secs Computing kpt #: 227 total cpu time spent up to now is 27.3 secs Computing kpt #: 228 total cpu time spent up to now is 27.4 secs Computing kpt #: 229 total cpu time spent up to now is 27.5 secs Computing kpt #: 230 total cpu time spent up to now is 27.5 secs Computing kpt #: 231 total cpu time spent up to now is 27.6 secs Computing kpt #: 232 total cpu time spent up to now is 27.7 secs Computing kpt #: 233 total cpu time spent up to now is 27.8 secs Computing kpt #: 234 total cpu time spent up to now is 27.9 secs Computing kpt #: 235 total cpu time spent up to now is 28.0 secs Computing kpt #: 236 total cpu time spent up to now is 28.1 secs Computing kpt #: 237 total cpu time spent up to now is 28.2 secs Computing kpt #: 238 total cpu time spent up to now is 28.3 secs Computing kpt #: 239 total cpu time spent up to now is 28.4 secs Computing kpt #: 240 total cpu time spent up to now is 28.5 secs Computing kpt #: 241 total cpu time spent up to now is 28.6 secs Computing kpt #: 242 total cpu time spent up to now is 28.7 secs Computing kpt #: 243 total cpu time spent up to now is 28.8 secs Computing kpt #: 244 total cpu time spent up to now is 28.9 secs Computing kpt #: 245 total cpu time spent up to now is 29.0 secs Computing kpt #: 246 total cpu time spent up to now is 29.1 secs Computing kpt #: 247 total cpu time spent up to now is 29.2 secs Computing kpt #: 248 total cpu time spent up to now is 29.3 secs Computing kpt #: 249 total cpu time spent up to now is 29.4 secs Computing kpt #: 250 total cpu time spent up to now is 29.5 secs Computing kpt #: 251 total cpu time spent up to now is 29.6 secs Computing kpt #: 252 total cpu time spent up to now is 29.7 secs Computing kpt #: 253 total cpu time spent up to now is 29.8 secs Computing kpt #: 254 total cpu time spent up to now is 29.9 secs Computing kpt #: 255 total cpu time spent up to now is 30.0 secs Computing kpt #: 256 total cpu time spent up to now is 30.0 secs Computing kpt #: 257 total cpu time spent up to now is 30.1 secs Computing kpt #: 258 total cpu time spent up to now is 30.2 secs Computing kpt #: 259 total cpu time spent up to now is 30.3 secs Computing kpt #: 260 total cpu time spent up to now is 30.4 secs Computing kpt #: 261 total cpu time spent up to now is 30.5 secs Computing kpt #: 262 total cpu time spent up to now is 30.6 secs Computing kpt #: 263 total cpu time spent up to now is 30.7 secs Computing kpt #: 264 total cpu time spent up to now is 30.8 secs Computing kpt #: 265 total cpu time spent up to now is 30.9 secs Computing kpt #: 266 total cpu time spent up to now is 31.0 secs Computing kpt #: 267 total cpu time spent up to now is 31.1 secs Computing kpt #: 268 total cpu time spent up to now is 31.2 secs Computing kpt #: 269 total cpu time spent up to now is 31.3 secs Computing kpt #: 270 total cpu time spent up to now is 31.4 secs Computing kpt #: 271 total cpu time spent up to now is 31.5 secs Computing kpt #: 272 total cpu time spent up to now is 31.6 secs Computing kpt #: 273 total cpu time spent up to now is 31.7 secs Computing kpt #: 274 total cpu time spent up to now is 31.8 secs Computing kpt #: 275 total cpu time spent up to now is 32.0 secs Computing kpt #: 276 total cpu time spent up to now is 32.1 secs Computing kpt #: 277 total cpu time spent up to now is 32.2 secs Computing kpt #: 278 total cpu time spent up to now is 32.3 secs Computing kpt #: 279 total cpu time spent up to now is 32.4 secs Computing kpt #: 280 total cpu time spent up to now is 32.5 secs Computing kpt #: 281 total cpu time spent up to now is 32.6 secs Computing kpt #: 282 total cpu time spent up to now is 32.7 secs Computing kpt #: 283 total cpu time spent up to now is 32.8 secs Computing kpt #: 284 total cpu time spent up to now is 32.9 secs Computing kpt #: 285 total cpu time spent up to now is 33.0 secs Computing kpt #: 286 total cpu time spent up to now is 33.1 secs Computing kpt #: 287 total cpu time spent up to now is 33.3 secs Computing kpt #: 288 total cpu time spent up to now is 33.5 secs Computing kpt #: 289 total cpu time spent up to now is 33.6 secs Computing kpt #: 290 total cpu time spent up to now is 33.7 secs Computing kpt #: 291 total cpu time spent up to now is 33.8 secs Computing kpt #: 292 total cpu time spent up to now is 33.9 secs Computing kpt #: 293 total cpu time spent up to now is 34.1 secs Computing kpt #: 294 total cpu time spent up to now is 34.2 secs Computing kpt #: 295 total cpu time spent up to now is 34.3 secs Computing kpt #: 296 total cpu time spent up to now is 34.4 secs Computing kpt #: 297 total cpu time spent up to now is 34.5 secs Computing kpt #: 298 total cpu time spent up to now is 34.6 secs Computing kpt #: 299 total cpu time spent up to now is 34.8 secs Computing kpt #: 300 total cpu time spent up to now is 34.9 secs Computing kpt #: 301 total cpu time spent up to now is 35.1 secs Computing kpt #: 302 total cpu time spent up to now is 35.2 secs Computing kpt #: 303 total cpu time spent up to now is 35.4 secs Computing kpt #: 304 total cpu time spent up to now is 35.5 secs Computing kpt #: 305 total cpu time spent up to now is 35.7 secs Computing kpt #: 306 total cpu time spent up to now is 35.8 secs Computing kpt #: 307 total cpu time spent up to now is 35.9 secs Computing kpt #: 308 total cpu time spent up to now is 36.0 secs Computing kpt #: 309 total cpu time spent up to now is 36.1 secs Computing kpt #: 310 total cpu time spent up to now is 36.3 secs Computing kpt #: 311 total cpu time spent up to now is 36.4 secs Computing kpt #: 312 total cpu time spent up to now is 36.5 secs Computing kpt #: 313 total cpu time spent up to now is 36.6 secs Computing kpt #: 314 total cpu time spent up to now is 36.7 secs Computing kpt #: 315 total cpu time spent up to now is 36.8 secs Computing kpt #: 316 total cpu time spent up to now is 36.9 secs Computing kpt #: 317 total cpu time spent up to now is 37.0 secs Computing kpt #: 318 total cpu time spent up to now is 37.1 secs Computing kpt #: 319 total cpu time spent up to now is 37.2 secs Computing kpt #: 320 total cpu time spent up to now is 37.3 secs Computing kpt #: 321 total cpu time spent up to now is 37.3 secs Computing kpt #: 322 total cpu time spent up to now is 37.4 secs Computing kpt #: 323 total cpu time spent up to now is 37.5 secs Computing kpt #: 324 total cpu time spent up to now is 37.6 secs Computing kpt #: 325 total cpu time spent up to now is 37.7 secs Computing kpt #: 326 total cpu time spent up to now is 37.9 secs Computing kpt #: 327 total cpu time spent up to now is 38.1 secs Computing kpt #: 328 total cpu time spent up to now is 38.2 secs Computing kpt #: 329 total cpu time spent up to now is 38.4 secs Computing kpt #: 330 total cpu time spent up to now is 38.5 secs Computing kpt #: 331 total cpu time spent up to now is 38.7 secs Computing kpt #: 332 total cpu time spent up to now is 38.8 secs Computing kpt #: 333 total cpu time spent up to now is 39.0 secs Computing kpt #: 334 total cpu time spent up to now is 39.1 secs Computing kpt #: 335 total cpu time spent up to now is 39.2 secs Computing kpt #: 336 total cpu time spent up to now is 39.3 secs Computing kpt #: 337 total cpu time spent up to now is 39.5 secs Computing kpt #: 338 total cpu time spent up to now is 39.6 secs Computing kpt #: 339 total cpu time spent up to now is 39.7 secs Computing kpt #: 340 total cpu time spent up to now is 39.8 secs Computing kpt #: 341 total cpu time spent up to now is 40.0 secs Computing kpt #: 342 total cpu time spent up to now is 40.1 secs Computing kpt #: 343 total cpu time spent up to now is 40.2 secs Computing kpt #: 344 total cpu time spent up to now is 40.3 secs Computing kpt #: 345 total cpu time spent up to now is 40.4 secs Computing kpt #: 346 total cpu time spent up to now is 40.5 secs Computing kpt #: 347 total cpu time spent up to now is 40.6 secs Computing kpt #: 348 total cpu time spent up to now is 40.8 secs Computing kpt #: 349 total cpu time spent up to now is 40.9 secs Computing kpt #: 350 total cpu time spent up to now is 41.0 secs Computing kpt #: 351 total cpu time spent up to now is 41.1 secs Computing kpt #: 352 total cpu time spent up to now is 41.2 secs Computing kpt #: 353 total cpu time spent up to now is 41.3 secs Computing kpt #: 354 total cpu time spent up to now is 41.4 secs Computing kpt #: 355 total cpu time spent up to now is 41.5 secs Computing kpt #: 356 total cpu time spent up to now is 41.6 secs Computing kpt #: 357 total cpu time spent up to now is 41.7 secs Computing kpt #: 358 total cpu time spent up to now is 41.8 secs Computing kpt #: 359 total cpu time spent up to now is 41.9 secs Computing kpt #: 360 total cpu time spent up to now is 42.0 secs Computing kpt #: 361 total cpu time spent up to now is 42.1 secs Computing kpt #: 362 total cpu time spent up to now is 42.2 secs Computing kpt #: 363 total cpu time spent up to now is 42.3 secs Computing kpt #: 364 total cpu time spent up to now is 42.4 secs Computing kpt #: 365 total cpu time spent up to now is 42.5 secs Computing kpt #: 366 total cpu time spent up to now is 42.6 secs Computing kpt #: 367 total cpu time spent up to now is 42.7 secs Computing kpt #: 368 total cpu time spent up to now is 42.8 secs Computing kpt #: 369 total cpu time spent up to now is 42.9 secs Computing kpt #: 370 total cpu time spent up to now is 43.0 secs Computing kpt #: 371 total cpu time spent up to now is 43.1 secs Computing kpt #: 372 total cpu time spent up to now is 43.2 secs Computing kpt #: 373 total cpu time spent up to now is 43.2 secs Computing kpt #: 374 total cpu time spent up to now is 43.3 secs Computing kpt #: 375 total cpu time spent up to now is 43.4 secs ethr = 5.00E-08, avg # of iterations = 13.5 total cpu time spent up to now is 43.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2801 PWs) bands (ev): -56.1139 -56.1139 -28.6822 -28.6822 -25.4994 -25.4994 -25.4994 -25.4994 8.5072 8.5072 10.4675 10.4675 10.4675 10.4675 13.6039 13.6039 13.6039 13.6039 13.7812 13.7812 17.0745 17.0745 17.0745 17.0745 20.1250 20.1250 20.1250 20.1250 k = 0.0000 0.0102-0.0000 ( 2801 PWs) bands (ev): -56.1139 -56.1139 -28.6823 -28.6823 -25.4994 -25.4994 -25.4994 -25.4994 8.5094 8.5094 10.4686 10.4686 10.4692 10.4692 13.6037 13.6037 13.6043 13.6043 13.7813 13.7813 17.0721 17.0721 17.0754 17.0754 20.1168 20.1168 20.1215 20.1215 k = 0.0000 0.0204-0.0000 ( 2801 PWs) bands (ev): -56.1138 -56.1138 -28.6823 -28.6823 -25.4997 -25.4997 -25.4994 -25.4994 8.5159 8.5159 10.4718 10.4718 10.4742 10.4742 13.6031 13.6031 13.6055 13.6055 13.7817 13.7817 17.0651 17.0651 17.0781 17.0781 20.0924 20.0924 20.1106 20.1106 k = 0.0000 0.0306-0.0000 ( 2809 PWs) bands (ev): -56.1138 -56.1138 -28.6825 -28.6825 -25.5001 -25.5001 -25.4994 -25.4994 8.5267 8.5267 10.4772 10.4772 10.4827 10.4827 13.6023 13.6023 13.6074 13.6074 13.7824 13.7824 17.0533 17.0533 17.0827 17.0827 20.0527 20.0527 20.0902 20.0902 k = 0.0000 0.0408-0.0000 ( 2817 PWs) bands (ev): -56.1138 -56.1138 -28.6827 -28.6827 -25.5006 -25.5006 -25.4994 -25.4994 8.5418 8.5418 10.4848 10.4848 10.4944 10.4944 13.6011 13.6011 13.6101 13.6101 13.7835 13.7835 17.0369 17.0369 17.0890 17.0890 19.9988 19.9988 20.0574 20.0574 k = 0.0000 0.0510-0.0000 ( 2817 PWs) bands (ev): -56.1137 -56.1137 -28.6829 -28.6829 -25.5012 -25.5012 -25.4994 -25.4994 8.5611 8.5611 10.4945 10.4945 10.5094 10.5094 13.5995 13.5995 13.6134 13.6134 13.7850 13.7850 17.0159 17.0159 17.0970 17.0970 19.9320 19.9320 20.0096 20.0096 k = 0.0000 0.0612-0.0000 ( 2825 PWs) bands (ev): -56.1136 -56.1136 -28.6833 -28.6833 -25.5020 -25.5020 -25.4995 -25.4995 8.5847 8.5847 10.5064 10.5064 10.5277 10.5277 13.5977 13.5977 13.6172 13.6172 13.7872 13.7872 16.9904 16.9904 17.1068 17.1068 19.8541 19.8541 19.9466 19.9466 k = 0.0000 0.0714-0.0000 ( 2833 PWs) bands (ev): -56.1135 -56.1135 -28.6836 -28.6836 -25.5030 -25.5030 -25.4995 -25.4995 8.6126 8.6126 10.5203 10.5203 10.5492 10.5492 13.5956 13.5956 13.6214 13.6214 13.7900 13.7900 16.9605 16.9605 17.1181 17.1181 19.7665 19.7665 19.8704 19.8704 k = 0.0000 0.0816-0.0000 ( 2833 PWs) bands (ev): -56.1134 -56.1134 -28.6840 -28.6840 -25.5040 -25.5040 -25.4995 -25.4995 8.6445 8.6445 10.5365 10.5365 10.5737 10.5737 13.5932 13.5932 13.6259 13.6259 13.7937 13.7937 16.9262 16.9262 17.1309 17.1309 19.6709 19.6709 19.7835 19.7835 k = 0.0000 0.0918-0.0000 ( 2833 PWs) bands (ev): -56.1133 -56.1133 -28.6844 -28.6844 -25.5052 -25.5052 -25.4995 -25.4995 8.6806 8.6806 10.5547 10.5547 10.6013 10.6013 13.5906 13.5906 13.6304 13.6304 13.7984 13.7984 16.8876 16.8876 17.1452 17.1452 19.5686 19.5686 19.6881 19.6881 k = 0.0000 0.1020-0.0000 ( 2833 PWs) bands (ev): -56.1132 -56.1132 -28.6849 -28.6849 -25.5064 -25.5064 -25.4995 -25.4995 8.7208 8.7208 10.5750 10.5750 10.6319 10.6319 13.5879 13.5879 13.6348 13.6348 13.8044 13.8044 16.8450 16.8450 17.1608 17.1608 19.4610 19.4610 19.5861 19.5861 k = 0.0000 0.1122-0.0000 ( 2841 PWs) bands (ev): -56.1131 -56.1131 -28.6854 -28.6854 -25.5078 -25.5078 -25.4996 -25.4996 8.7649 8.7649 10.5974 10.5974 10.6653 10.6653 13.5849 13.5849 13.6390 13.6390 13.8117 13.8117 16.7984 16.7984 17.1775 17.1775 19.3492 19.3492 19.4788 19.4788 k = 0.0000 0.1224-0.0000 ( 2841 PWs) bands (ev): -56.1129 -56.1129 -28.6860 -28.6860 -25.5093 -25.5093 -25.4996 -25.4996 8.8130 8.8130 10.6219 10.6219 10.7013 10.7013 13.5819 13.5819 13.6427 13.6427 13.8206 13.8206 16.7480 16.7480 17.1952 17.1952 19.2342 19.2342 19.3676 19.3676 k = 0.0000 0.1327-0.0000 ( 2841 PWs) bands (ev): -56.1128 -56.1128 -28.6865 -28.6865 -25.5109 -25.5109 -25.4996 -25.4996 8.8649 8.8649 10.6484 10.6484 10.7400 10.7400 13.5787 13.5787 13.6460 13.6460 13.8311 13.8311 16.6938 16.6938 17.2138 17.2138 19.1169 19.1169 19.2534 19.2534 k = 0.0000 0.1429-0.0000 ( 2837 PWs) bands (ev): -56.1126 -56.1126 -28.6871 -28.6871 -25.5126 -25.5126 -25.4996 -25.4996 8.9206 8.9206 10.6770 10.6770 10.7812 10.7812 13.5755 13.5755 13.6488 13.6488 13.8432 13.8432 16.6362 16.6362 17.2329 17.2329 18.9981 18.9981 19.1371 19.1371 k = 0.0000 0.1531-0.0000 ( 2845 PWs) bands (ev): -56.1125 -56.1125 -28.6878 -28.6878 -25.5144 -25.5144 -25.4996 -25.4996 8.9800 8.9800 10.7075 10.7075 10.8246 10.8246 13.5723 13.5723 13.6510 13.6510 13.8570 13.8570 16.5752 16.5752 17.2525 17.2525 18.8784 18.8784 19.0194 19.0194 k = 0.0000 0.1633-0.0000 ( 2825 PWs) bands (ev): -56.1123 -56.1123 -28.6884 -28.6884 -25.5162 -25.5162 -25.4996 -25.4996 9.0429 9.0429 10.7400 10.7400 10.8703 10.8703 13.5691 13.5691 13.6527 13.6527 13.8724 13.8724 16.5110 16.5110 17.2722 17.2722 18.7584 18.7584 18.9009 18.9009 k = 0.0000 0.1735-0.0000 ( 2825 PWs) bands (ev): -56.1121 -56.1121 -28.6891 -28.6891 -25.5181 -25.5181 -25.4996 -25.4996 9.1093 9.1093 10.7745 10.7745 10.9178 10.9178 13.5661 13.5661 13.6541 13.6541 13.8894 13.8894 16.4439 16.4439 17.2916 17.2916 18.6385 18.6385 18.7821 18.7821 k = 0.0000 0.1837-0.0000 ( 2813 PWs) bands (ev): -56.1119 -56.1119 -28.6898 -28.6898 -25.5201 -25.5201 -25.4996 -25.4996 9.1790 9.1790 10.8109 10.8109 10.9672 10.9672 13.5631 13.5631 13.6551 13.6551 13.9078 13.9078 16.3739 16.3739 17.3106 17.3106 18.5193 18.5193 18.6637 18.6637 k = 0.0000 0.1939-0.0000 ( 2813 PWs) bands (ev): -56.1117 -56.1117 -28.6906 -28.6906 -25.5221 -25.5221 -25.4996 -25.4996 9.2519 9.2519 10.8491 10.8491 11.0182 11.0182 13.5602 13.5602 13.6559 13.6559 13.9275 13.9275 16.3014 16.3014 17.3287 17.3287 18.4010 18.4010 18.5458 18.5458 k = 0.0000 0.2041-0.0000 ( 2813 PWs) bands (ev): -56.1115 -56.1115 -28.6913 -28.6913 -25.5242 -25.5242 -25.4996 -25.4996 9.3279 9.3279 10.8891 10.8891 11.0706 11.0706 13.5576 13.5576 13.6566 13.6566 13.9484 13.9484 16.2264 16.2264 17.3456 17.3456 18.2841 18.2841 18.4290 18.4290 k = 0.0000 0.2143-0.0000 ( 2813 PWs) bands (ev): -56.1113 -56.1113 -28.6921 -28.6921 -25.5264 -25.5264 -25.4996 -25.4996 9.4069 9.4069 10.9310 10.9310 11.1241 11.1241 13.5552 13.5552 13.6572 13.6572 13.9704 13.9704 16.1492 16.1492 17.3607 17.3607 18.1689 18.1689 18.3136 18.3136 k = 0.0000 0.2245-0.0000 ( 2813 PWs) bands (ev): -56.1111 -56.1111 -28.6929 -28.6929 -25.5285 -25.5285 -25.4996 -25.4996 9.4886 9.4886 10.9745 10.9745 11.1786 11.1786 13.5530 13.5530 13.6579 13.6579 13.9933 13.9933 16.0700 16.0700 17.3736 17.3736 18.0556 18.0556 18.1998 18.1998 k = 0.0000 0.2347-0.0000 ( 2813 PWs) bands (ev): -56.1109 -56.1109 -28.6937 -28.6937 -25.5307 -25.5307 -25.4996 -25.4996 9.5730 9.5730 11.0198 11.0198 11.2338 11.2338 13.5512 13.5512 13.6586 13.6586 14.0171 14.0171 15.9890 15.9890 17.3838 17.3838 17.9446 17.9446 18.0879 18.0879 k = 0.0000 0.2449-0.0000 ( 2813 PWs) bands (ev): -56.1107 -56.1107 -28.6946 -28.6946 -25.5329 -25.5329 -25.4996 -25.4996 9.6597 9.6597 11.0666 11.0666 11.2894 11.2894 13.5496 13.5496 13.6595 13.6595 14.0416 14.0416 15.9064 15.9064 17.3907 17.3907 17.8361 17.8361 17.9781 17.9781 k = 0.0000 0.2551-0.0000 ( 2810 PWs) bands (ev): -56.1105 -56.1105 -28.6954 -28.6954 -25.5351 -25.5351 -25.4996 -25.4996 9.7487 9.7487 11.1150 11.1150 11.3453 11.3453 13.5484 13.5484 13.6606 13.6606 14.0668 14.0668 15.8224 15.8224 17.3936 17.3936 17.7306 17.7306 17.8707 17.8707 k = 0.0000 0.2653-0.0000 ( 2810 PWs) bands (ev): -56.1103 -56.1103 -28.6962 -28.6962 -25.5373 -25.5373 -25.4996 -25.4996 9.8398 9.8398 11.1649 11.1649 11.4010 11.4010 13.5475 13.5475 13.6620 13.6620 14.0924 14.0924 15.7373 15.7373 17.3917 17.3917 17.6285 17.6285 17.7660 17.7660 k = 0.0000 0.2755-0.0000 ( 2810 PWs) bands (ev): -56.1100 -56.1100 -28.6970 -28.6970 -25.5395 -25.5395 -25.4996 -25.4996 9.9326 9.9326 11.2161 11.2161 11.4565 11.4565 13.5470 13.5470 13.6637 13.6637 14.1184 14.1184 15.6513 15.6513 17.3831 17.3831 17.5316 17.5316 17.6639 17.6639 k = 0.0000 0.2857-0.0000 ( 2814 PWs) bands (ev): -56.1098 -56.1098 -28.6978 -28.6978 -25.5417 -25.5417 -25.4997 -25.4997 10.0271 10.0271 11.2686 11.2686 11.5113 11.5113 13.5468 13.5468 13.6657 13.6657 14.1447 14.1447 15.5646 15.5646 17.3613 17.3613 17.4458 17.4458 17.5649 17.5649 k = 0.0000 0.2959-0.0000 ( 2806 PWs) bands (ev): -56.1096 -56.1096 -28.6986 -28.6986 -25.5438 -25.5438 -25.4996 -25.4996 10.1228 10.1228 11.3222 11.3222 11.5651 11.5651 13.5470 13.5470 13.6680 13.6680 14.1711 14.1711 15.4774 15.4774 17.3068 17.3068 17.3908 17.3908 17.4690 17.4690 k = 0.0000 0.3061-0.0000 ( 2806 PWs) bands (ev): -56.1094 -56.1094 -28.6994 -28.6994 -25.5459 -25.5459 -25.4996 -25.4996 10.2195 10.2195 11.3769 11.3769 11.6177 11.6177 13.5476 13.5476 13.6706 13.6706 14.1975 14.1975 15.3901 15.3901 17.2266 17.2266 17.3595 17.3595 17.3763 17.3763 k = 0.0000 0.3163-0.0000 ( 2802 PWs) bands (ev): -56.1092 -56.1092 -28.7001 -28.7001 -25.5479 -25.5479 -25.4996 -25.4996 10.3170 10.3170 11.4325 11.4325 11.6688 11.6688 13.5485 13.5485 13.6736 13.6736 14.2237 14.2237 15.3028 15.3028 17.1426 17.1426 17.2871 17.2871 17.3300 17.3300 k = 0.0000 0.3265-0.0000 ( 2806 PWs) bands (ev): -56.1091 -56.1091 -28.7009 -28.7009 -25.5499 -25.5499 -25.4996 -25.4996 10.4149 10.4149 11.4888 11.4888 11.7181 11.7181 13.5498 13.5498 13.6768 13.6768 14.2496 14.2496 15.2159 15.2159 17.0603 17.0603 17.2016 17.2016 17.2971 17.2971 k = 0.0000 0.3367-0.0000 ( 2806 PWs) bands (ev): -56.1089 -56.1089 -28.7016 -28.7016 -25.5518 -25.5518 -25.4997 -25.4997 10.5128 10.5128 11.5456 11.5456 11.7651 11.7651 13.5513 13.5513 13.6804 13.6804 14.2751 14.2751 15.1297 15.1297 16.9811 16.9811 17.1198 17.1198 17.2597 17.2597 k = 0.0000 0.3469-0.0000 ( 2810 PWs) bands (ev): -56.1087 -56.1087 -28.7023 -28.7023 -25.5536 -25.5536 -25.4997 -25.4997 10.6104 10.6104 11.6027 11.6027 11.8097 11.8097 13.5531 13.5531 13.6842 13.6842 14.3000 14.3000 15.0444 15.0444 16.9055 16.9055 17.0419 17.0419 17.2179 17.2179 k = 0.0000 0.3571-0.0000 ( 2810 PWs) bands (ev): -56.1085 -56.1085 -28.7030 -28.7030 -25.5554 -25.5554 -25.4997 -25.4997 10.7073 10.7073 11.6599 11.6599 11.8516 11.8516 13.5551 13.5551 13.6883 13.6883 14.3241 14.3241 14.9606 14.9606 16.8338 16.8338 16.9682 16.9682 17.1721 17.1721 k = 0.0000 0.3673-0.0000 ( 2814 PWs) bands (ev): -56.1084 -56.1084 -28.7036 -28.7036 -25.5571 -25.5571 -25.4997 -25.4997 10.8029 10.8029 11.7169 11.7169 11.8903 11.8903 13.5573 13.5573 13.6926 13.6926 14.3472 14.3472 14.8786 14.8786 16.7663 16.7663 16.8986 16.8986 17.1230 17.1230 k = 0.0000 0.3776-0.0000 ( 2810 PWs) bands (ev): -56.1082 -56.1082 -28.7042 -28.7042 -25.5586 -25.5586 -25.4997 -25.4997 10.8968 10.8968 11.7734 11.7734 11.9256 11.9256 13.5597 13.5597 13.6970 13.6970 14.3691 14.3691 14.7988 14.7988 16.7031 16.7031 16.8335 16.8335 17.0715 17.0715 k = 0.0000 0.3878-0.0000 ( 2818 PWs) bands (ev): -56.1081 -56.1081 -28.7048 -28.7048 -25.5601 -25.5601 -25.4997 -25.4997 10.9884 10.9884 11.8289 11.8289 11.9573 11.9573 13.5621 13.5621 13.7015 13.7015 14.3894 14.3894 14.7221 14.7221 16.6443 16.6443 16.7728 16.7728 17.0184 17.0184 k = 0.0000 0.3980-0.0000 ( 2826 PWs) bands (ev): -56.1079 -56.1079 -28.7053 -28.7053 -25.5615 -25.5615 -25.4998 -25.4998 11.0772 11.0772 11.8830 11.8830 11.9851 11.9851 13.5645 13.5645 13.7060 13.7060 14.4076 14.4076 14.6492 14.6492 16.5902 16.5902 16.7168 16.7168 16.9648 16.9648 k = 0.0000 0.4082-0.0000 ( 2810 PWs) bands (ev): -56.1078 -56.1078 -28.7057 -28.7057 -25.5627 -25.5627 -25.4997 -25.4997 11.1625 11.1625 11.9352 11.9352 12.0088 12.0088 13.5669 13.5669 13.7104 13.7104 14.4221 14.4221 14.5822 14.5822 16.5409 16.5409 16.6657 16.6657 16.9118 16.9118 k = 0.0000 0.4184-0.0000 ( 2810 PWs) bands (ev): -56.1077 -56.1077 -28.7062 -28.7062 -25.5638 -25.5638 -25.4997 -25.4997 11.2435 11.2435 11.9849 11.9849 12.0282 12.0282 13.5692 13.5692 13.7148 13.7148 14.4280 14.4280 14.5265 14.5265 16.4965 16.4965 16.6195 16.6195 16.8606 16.8606 k = 0.0000 0.4286-0.0000 ( 2810 PWs) bands (ev): -56.1076 -56.1076 -28.7066 -28.7066 -25.5648 -25.5648 -25.4997 -25.4997 11.3195 11.3195 12.0315 12.0315 12.0434 12.0434 13.5714 13.5714 13.7189 13.7189 14.4103 14.4103 14.4978 14.4978 16.4570 16.4570 16.5784 16.5784 16.8121 16.8121 k = 0.0000 0.4388-0.0000 ( 2810 PWs) bands (ev): -56.1075 -56.1075 -28.7069 -28.7069 -25.5657 -25.5657 -25.4997 -25.4997 11.3896 11.3896 12.0545 12.0545 12.0743 12.0743 13.5734 13.5734 13.7228 13.7228 14.3691 14.3691 14.4964 14.4964 16.4227 16.4227 16.5424 16.5424 16.7675 16.7675 k = 0.0000 0.4490-0.0000 ( 2810 PWs) bands (ev): -56.1074 -56.1074 -28.7072 -28.7072 -25.5665 -25.5665 -25.4997 -25.4997 11.4526 11.4526 12.0616 12.0616 12.1123 12.1123 13.5751 13.5751 13.7263 13.7263 14.3246 14.3246 14.5030 14.5030 16.3935 16.3935 16.5118 16.5118 16.7278 16.7278 k = 0.0000 0.4592-0.0000 ( 2814 PWs) bands (ev): -56.1074 -56.1074 -28.7074 -28.7074 -25.5671 -25.5671 -25.4997 -25.4997 11.5073 11.5073 12.0653 12.0653 12.1450 12.1450 13.5766 13.5766 13.7294 13.7294 14.2845 14.2845 14.5105 14.5105 16.3696 16.3696 16.4866 16.4866 16.6939 16.6939 k = 0.0000 0.4694-0.0000 ( 2806 PWs) bands (ev): -56.1073 -56.1073 -28.7076 -28.7076 -25.5675 -25.5675 -25.4997 -25.4997 11.5524 11.5524 12.0664 12.0664 12.1714 12.1714 13.5778 13.5778 13.7319 13.7319 14.2517 14.2517 14.5170 14.5170 16.3510 16.3510 16.4670 16.4670 16.6666 16.6666 k = 0.0000 0.4796-0.0000 ( 2822 PWs) bands (ev): -56.1073 -56.1073 -28.7078 -28.7078 -25.5679 -25.5679 -25.4998 -25.4998 11.5863 11.5863 12.0659 12.0659 12.1909 12.1909 13.5787 13.5787 13.7338 13.7338 14.2273 14.2273 14.5220 14.5220 16.3376 16.3377 16.4529 16.4529 16.6466 16.6466 k = 0.0000 0.4898-0.0000 ( 2826 PWs) bands (ev): -56.1073 -56.1073 -28.7079 -28.7079 -25.5682 -25.5682 -25.4998 -25.4998 11.6074 11.6074 12.0650 12.0650 12.2028 12.2028 13.5792 13.5792 13.7350 13.7350 14.2124 14.2124 14.5250 14.5250 16.3297 16.3297 16.4444 16.4444 16.6344 16.6344 k = 0.0000 0.5000-0.0000 ( 2826 PWs) bands (ev): -56.1073 -56.1073 -28.7079 -28.7079 -25.5682 -25.5682 -25.4998 -25.4998 11.6146 11.6146 12.0646 12.0646 12.2068 12.2068 13.5794 13.5794 13.7354 13.7354 14.2074 14.2074 14.5260 14.5260 16.3270 16.3270 16.4415 16.4415 16.6303 16.6303 k = 0.0000 0.5000-0.0000 ( 2826 PWs) bands (ev): -56.1073 -56.1073 -28.7079 -28.7079 -25.5682 -25.5682 -25.4998 -25.4998 11.6146 11.6146 12.0646 12.0646 12.2068 12.2068 13.5794 13.5794 13.7354 13.7354 14.2074 14.2074 14.5260 14.5260 16.3270 16.3270 16.4415 16.4415 16.6303 16.6303 k = 0.0102 0.5000-0.0000 ( 2826 PWs) bands (ev): -56.1073 -56.1073 -28.7079 -28.7079 -25.5682 -25.5682 -25.4998 -25.4998 11.6149 11.6149 12.0635 12.0635 12.2069 12.2069 13.5762 13.5762 13.7308 13.7308 14.2178 14.2178 14.5196 14.5196 16.3267 16.3267 16.4391 16.4391 16.6429 16.6429 k = 0.0204 0.5000-0.0000 ( 2824 PWs) bands (ev): -56.1073 -56.1073 -28.7079 -28.7079 -25.5682 -25.5682 -25.4999 -25.4999 11.6155 11.6155 12.0603 12.0603 12.2071 12.2071 13.5672 13.5672 13.7183 13.7183 14.2476 14.2476 14.5008 14.5008 16.3201 16.3201 16.4423 16.4423 16.6753 16.6753 k = 0.0306 0.5000-0.0000 ( 2820 PWs) bands (ev): -56.1072 -56.1072 -28.7080 -28.7080 -25.5682 -25.5682 -25.5001 -25.5001 11.6162 11.6162 12.0548 12.0548 12.2078 12.2078 13.5536 13.5536 13.7005 13.7005 14.2922 14.2922 14.4712 14.4712 16.2999 16.2999 16.4657 16.4657 16.7193 16.7193 k = 0.0408 0.5000-0.0000 ( 2808 PWs) bands (ev): -56.1072 -56.1072 -28.7080 -28.7080 -25.5682 -25.5682 -25.5003 -25.5003 11.6167 11.6167 12.0466 12.0466 12.2094 12.2094 13.5371 13.5371 13.6799 13.6799 14.3436 14.3436 14.4365 14.4365 16.2697 16.2697 16.5093 16.5093 16.7699 16.7699 k = 0.0510 0.5000-0.0000 ( 2816 PWs) bands (ev): -56.1072 -56.1072 -28.7082 -28.7082 -25.5682 -25.5682 -25.5006 -25.5006 11.6164 11.6164 12.0355 12.0355 12.2125 12.2125 13.5199 13.5199 13.6579 13.6579 14.3566 14.3566 14.4403 14.4403 16.2354 16.2354 16.5680 16.5680 16.8243 16.8243 k = 0.0612 0.5000-0.0000 ( 2812 PWs) bands (ev): -56.1071 -56.1071 -28.7083 -28.7083 -25.5681 -25.5681 -25.5010 -25.5010 11.6147 11.6147 12.0210 12.0210 12.2179 12.2179 13.5038 13.5038 13.6353 13.6353 14.3086 14.3086 14.5048 14.5048 16.2001 16.2001 16.6381 16.6381 16.8814 16.8814 k = 0.0714 0.5000-0.0000 ( 2812 PWs) bands (ev): -56.1071 -56.1071 -28.7084 -28.7084 -25.5681 -25.5681 -25.5015 -25.5015 11.6110 11.6110 12.0029 12.0029 12.2263 12.2263 13.4896 13.4896 13.6133 13.6133 14.2471 14.2471 14.5823 14.5823 16.1653 16.1653 16.7172 16.7172 16.9403 16.9403 k = 0.0816 0.5000-0.0000 ( 2806 PWs) bands (ev): -56.1070 -56.1070 -28.7086 -28.7086 -25.5681 -25.5681 -25.5020 -25.5020 11.6045 11.6045 11.9809 11.9809 12.2385 12.2385 13.4764 13.4764 13.5943 13.5943 14.1798 14.1798 14.6654 14.6654 16.1317 16.1317 16.8036 16.8036 17.0004 17.0004 k = 0.0918 0.5000-0.0000 ( 2806 PWs) bands (ev): -56.1070 -56.1070 -28.7088 -28.7088 -25.5681 -25.5681 -25.5025 -25.5025 11.5946 11.5946 11.9550 11.9550 12.2554 12.2554 13.4614 13.4614 13.5823 13.5823 14.1088 14.1088 14.7523 14.7523 16.0997 16.0997 16.8956 16.8956 17.0615 17.0615 k = 0.1020 0.5000-0.0000 ( 2806 PWs) bands (ev): -56.1069 -56.1069 -28.7090 -28.7090 -25.5681 -25.5681 -25.5032 -25.5032 11.5810 11.5810 11.9250 11.9250 12.2774 12.2774 13.4407 13.4407 13.5817 13.5817 14.0352 14.0352 14.8422 14.8422 16.0696 16.0696 16.9919 16.9919 17.1234 17.1234 k = 0.1122 0.5000-0.0000 ( 2802 PWs) bands (ev): -56.1068 -56.1068 -28.7092 -28.7092 -25.5681 -25.5681 -25.5038 -25.5038 11.5635 11.5635 11.8912 11.8912 12.3049 12.3049 13.4131 13.4131 13.5942 13.5942 13.9601 13.9601 14.9345 14.9345 16.0413 16.0413 17.0907 17.0907 17.1868 17.1868 k = 0.1224 0.5000-0.0000 ( 2806 PWs) bands (ev): -56.1068 -56.1068 -28.7095 -28.7095 -25.5682 -25.5682 -25.5045 -25.5045 11.5419 11.5419 11.8539 11.8539 12.3382 12.3382 13.3798 13.3798 13.6187 13.6187 13.8842 13.8842 15.0287 15.0287 16.0151 16.0151 17.1877 17.1877 17.2546 17.2546 k = 0.1327 0.5000-0.0000 ( 2806 PWs) bands (ev): -56.1067 -56.1067 -28.7098 -28.7098 -25.5682 -25.5682 -25.5053 -25.5053 11.5166 11.5166 11.8134 11.8134 12.3771 12.3771 13.3424 13.3424 13.6530 13.6530 13.8088 13.8088 15.1245 15.1245 15.9909 15.9909 17.2725 17.2725 17.3364 17.3364 k = 0.1429 0.5000-0.0000 ( 2812 PWs) bands (ev): -56.1066 -56.1066 -28.7101 -28.7101 -25.5683 -25.5683 -25.5061 -25.5061 11.4877 11.4877 11.7702 11.7702 12.4216 12.4216 13.3020 13.3020 13.6890 13.6890 13.7414 13.7414 15.2216 15.2216 15.9687 15.9687 17.3404 17.3404 17.4359 17.4359 k = 0.1531 0.5000-0.0000 ( 2808 PWs) bands (ev): -56.1065 -56.1065 -28.7104 -28.7104 -25.5684 -25.5684 -25.5068 -25.5068 11.4556 11.4556 11.7247 11.7247 12.4715 12.4715 13.2593 13.2593 13.6476 13.6476 13.7603 13.7603 15.3197 15.3197 15.9485 15.9485 17.4000 17.4000 17.5437 17.5438 k = 0.1633 0.5000-0.0000 ( 2808 PWs) bands (ev): -56.1064 -56.1064 -28.7107 -28.7107 -25.5685 -25.5685 -25.5076 -25.5076 11.4208 11.4208 11.6774 11.6774 12.5265 12.5265 13.2150 13.2150 13.5746 13.5746 13.8195 13.8195 15.4183 15.4183 15.9305 15.9305 17.4554 17.4554 17.6551 17.6551 k = 0.1735 0.5000-0.0000 ( 2808 PWs) bands (ev): -56.1063 -56.1063 -28.7111 -28.7111 -25.5687 -25.5687 -25.5084 -25.5084 11.3836 11.3836 11.6287 11.6287 12.5863 12.5863 13.1695 13.1695 13.5008 13.5008 13.8880 13.8880 15.5171 15.5171 15.9147 15.9147 17.5075 17.5075 17.7683 17.7683 k = 0.1837 0.5000-0.0000 ( 2812 PWs) bands (ev): -56.1062 -56.1062 -28.7114 -28.7114 -25.5689 -25.5689 -25.5092 -25.5092 11.3445 11.3445 11.5791 11.5791 12.6504 12.6504 13.1231 13.1231 13.4280 13.4280 13.9636 13.9636 15.6152 15.6152 15.9019 15.9019 17.5566 17.5566 17.8825 17.8825 k = 0.1939 0.5000-0.0000 ( 2810 PWs) bands (ev): -56.1061 -56.1061 -28.7118 -28.7118 -25.5691 -25.5691 -25.5100 -25.5100 11.3038 11.3038 11.5289 11.5289 12.7184 12.7184 13.0762 13.0762 13.3568 13.3568 14.0456 14.0456 15.7101 15.7101 15.8942 15.8942 17.6023 17.6023 17.9972 17.9972 k = 0.2041 0.5000-0.0000 ( 2810 PWs) bands (ev): -56.1059 -56.1059 -28.7121 -28.7121 -25.5693 -25.5693 -25.5108 -25.5108 11.2619 11.2619 11.4784 11.4784 12.7894 12.7894 13.0294 13.0294 13.2878 13.2878 14.1335 14.1335 15.7911 15.7911 15.9020 15.9020 17.6445 17.6445 18.1122 18.1122 k = 0.2143 0.5000-0.0000 ( 2798 PWs) bands (ev): -56.1058 -56.1058 -28.7125 -28.7125 -25.5696 -25.5696 -25.5115 -25.5115 11.2191 11.2191 11.4280 11.4280 12.8606 12.8606 12.9846 12.9846 13.2220 13.2220 14.2267 14.2267 15.8274 15.8274 15.9558 15.9558 17.6828 17.6828 18.2269 18.2269 k = 0.2245 0.5000-0.0000 ( 2798 PWs) bands (ev): -56.1057 -56.1057 -28.7129 -28.7129 -25.5699 -25.5699 -25.5123 -25.5123 11.1757 11.1757 11.3780 11.3780 12.9074 12.9074 12.9629 12.9629 13.1631 13.1631 14.3250 14.3250 15.8306 15.8306 16.0439 16.0439 17.7170 17.7170 18.3413 18.3413 k = 0.2347 0.5000-0.0000 ( 2802 PWs) bands (ev): -56.1056 -56.1056 -28.7133 -28.7133 -25.5703 -25.5703 -25.5130 -25.5130 11.1319 11.1319 11.3285 11.3285 12.8767 12.8767 12.9998 12.9998 13.1289 13.1289 14.4277 14.4277 15.8266 15.8266 16.1400 16.1400 17.7467 17.7467 18.4549 18.4549 k = 0.2449 0.5000-0.0000 ( 2802 PWs) bands (ev): -56.1055 -56.1055 -28.7137 -28.7137 -25.5707 -25.5707 -25.5137 -25.5137 11.0881 11.0881 11.2797 11.2797 12.8318 12.8318 12.9860 12.9860 13.1652 13.1652 14.5346 14.5346 15.8215 15.8215 16.2378 16.2378 17.7717 17.7717 18.5675 18.5675 k = 0.2551 0.5000-0.0000 ( 2802 PWs) bands (ev): -56.1054 -56.1054 -28.7141 -28.7141 -25.5711 -25.5711 -25.5143 -25.5143 11.0445 11.0445 11.2319 11.2319 12.7858 12.7858 12.9371 12.9371 13.2437 13.2437 14.6452 14.6452 15.8165 15.8165 16.3359 16.3359 17.7917 17.7917 18.6789 18.6789 k = 0.2653 0.5000-0.0000 ( 2804 PWs) bands (ev): -56.1052 -56.1052 -28.7145 -28.7145 -25.5716 -25.5716 -25.5149 -25.5149 11.0013 11.0013 11.1852 11.1852 12.7401 12.7401 12.8823 12.8823 13.3336 13.3336 14.7592 14.7592 15.8120 15.8120 16.4334 16.4334 17.8065 17.8065 18.7888 18.7888 k = 0.2755 0.5000-0.0000 ( 2808 PWs) bands (ev): -56.1051 -56.1051 -28.7149 -28.7149 -25.5722 -25.5722 -25.5155 -25.5155 10.9587 10.9587 11.1398 11.1398 12.6951 12.6951 12.8274 12.8274 13.4288 13.4288 14.8760 14.8760 15.8083 15.8083 16.5299 16.5299 17.8157 17.8157 18.8969 18.8969 k = 0.2857 0.5000-0.0000 ( 2804 PWs) bands (ev): -56.1050 -56.1050 -28.7152 -28.7152 -25.5727 -25.5727 -25.5160 -25.5160 10.9169 10.9169 11.0957 11.0957 12.6510 12.6510 12.7739 12.7739 13.5276 13.5276 14.9953 14.9953 15.8053 15.8053 16.6251 16.6251 17.8193 17.8193 19.0029 19.0029 k = 0.2959 0.5000-0.0000 ( 2808 PWs) bands (ev): -56.1049 -56.1049 -28.7156 -28.7156 -25.5733 -25.5733 -25.5165 -25.5165 10.8760 10.8760 11.0532 11.0532 12.6079 12.6079 12.7222 12.7222 13.6293 13.6293 15.1167 15.1167 15.8031 15.8031 16.7186 16.7186 17.8170 17.8170 19.1067 19.1067 k = 0.3061 0.5000-0.0000 ( 2808 PWs) bands (ev): -56.1048 -56.1048 -28.7160 -28.7160 -25.5739 -25.5739 -25.5169 -25.5169 10.8362 10.8362 11.0122 11.0122 12.5661 12.5661 12.6727 12.6727 13.7333 13.7333 15.2396 15.2396 15.8017 15.8017 16.8102 16.8102 17.8088 17.8088 19.2078 19.2078 k = 0.3163 0.5000-0.0000 ( 2808 PWs) bands (ev): -56.1047 -56.1047 -28.7164 -28.7164 -25.5745 -25.5745 -25.5173 -25.5173 10.7977 10.7977 10.9729 10.9729 12.5257 12.5257 12.6255 12.6255 13.8393 13.8393 15.3637 15.3637 15.8011 15.8011 16.8995 16.8995 17.7946 17.7946 19.3061 19.3061 k = 0.3265 0.5000-0.0000 ( 2804 PWs) bands (ev): -56.1045 -56.1045 -28.7167 -28.7167 -25.5751 -25.5751 -25.5176 -25.5176 10.7606 10.7606 10.9353 10.9353 12.4867 12.4867 12.5806 12.5806 13.9468 13.9468 15.4882 15.4882 15.8014 15.8014 16.9861 16.9861 17.7744 17.7744 19.4013 19.4013 k = 0.3367 0.5000-0.0000 ( 2804 PWs) bands (ev): -56.1044 -56.1044 -28.7171 -28.7171 -25.5757 -25.5757 -25.5179 -25.5179 10.7250 10.7250 10.8996 10.8996 12.4493 12.4493 12.5382 12.5382 14.0555 14.0555 15.6126 15.6126 15.8028 15.8028 17.0697 17.0697 17.7482 17.7482 19.4930 19.4930 k = 0.3469 0.5000-0.0000 ( 2804 PWs) bands (ev): -56.1043 -56.1043 -28.7174 -28.7174 -25.5764 -25.5764 -25.5182 -25.5182 10.6910 10.6910 10.8658 10.8658 12.4136 12.4136 12.4983 12.4983 14.1649 14.1649 15.7343 15.7343 15.8071 15.8071 17.1499 17.1499 17.7163 17.7163 19.5811 19.5811 k = 0.3571 0.5000-0.0000 ( 2796 PWs) bands (ev): -56.1042 -56.1042 -28.7177 -28.7177 -25.5770 -25.5770 -25.5184 -25.5184 10.6588 10.6588 10.8339 10.8339 12.3798 12.3798 12.4609 12.4609 14.2747 14.2747 15.8002 15.8002 15.8671 15.8671 17.2263 17.2263 17.6787 17.6787 19.6651 19.6651 k = 0.3673 0.5000-0.0000 ( 2796 PWs) bands (ev): -56.1042 -56.1042 -28.7180 -28.7180 -25.5776 -25.5776 -25.5186 -25.5186 10.6284 10.6284 10.8041 10.8041 12.3478 12.3478 12.4261 12.4261 14.3841 14.3841 15.8066 15.8066 15.9857 15.9857 17.2983 17.2983 17.6359 17.6359 19.7449 19.7449 k = 0.3776 0.5000-0.0000 ( 2792 PWs) bands (ev): -56.1041 -56.1041 -28.7183 -28.7183 -25.5782 -25.5782 -25.5187 -25.5187 10.5999 10.5999 10.7762 10.7762 12.3179 12.3179 12.3938 12.3938 14.4927 14.4927 15.8116 15.8116 16.1045 16.1045 17.3653 17.3653 17.5885 17.5885 19.8201 19.8201 k = 0.3878 0.5000-0.0000 ( 2796 PWs) bands (ev): -56.1040 -56.1040 -28.7186 -28.7186 -25.5788 -25.5788 -25.5189 -25.5189 10.5734 10.5734 10.7505 10.7505 12.2900 12.2900 12.3640 12.3640 14.5997 14.5997 15.8173 15.8173 16.2204 16.2204 17.4256 17.4256 17.5383 17.5383 19.8905 19.8905 k = 0.3980 0.5000-0.0000 ( 2792 PWs) bands (ev): -56.1039 -56.1039 -28.7188 -28.7188 -25.5793 -25.5793 -25.5190 -25.5190 10.5490 10.5490 10.7269 10.7269 12.2643 12.2643 12.3368 12.3368 14.7041 14.7041 15.8243 15.8243 16.3326 16.3326 17.4577 17.4577 17.5068 17.5068 19.9557 19.9557 k = 0.4082 0.5000-0.0000 ( 2796 PWs) bands (ev): -56.1038 -56.1038 -28.7191 -28.7191 -25.5798 -25.5798 -25.5191 -25.5191 10.5267 10.5267 10.7054 10.7054 12.2408 12.2408 12.3122 12.3122 14.8049 14.8049 15.8328 15.8328 16.4399 16.4399 17.4117 17.4117 17.5445 17.5445 20.0156 20.0156 k = 0.4184 0.5000-0.0000 ( 2796 PWs) bands (ev): -56.1038 -56.1038 -28.7193 -28.7193 -25.5803 -25.5803 -25.5192 -25.5192 10.5066 10.5066 10.6861 10.6861 12.2197 12.2197 12.2902 12.2902 14.9009 14.9009 15.8433 15.8433 16.5413 16.5413 17.3514 17.3514 17.5883 17.5883 20.0697 20.0697 k = 0.4286 0.5000-0.0000 ( 2804 PWs) bands (ev): -56.1037 -56.1037 -28.7195 -28.7195 -25.5807 -25.5807 -25.5193 -25.5193 10.4888 10.4888 10.6691 10.6691 12.2009 12.2009 12.2707 12.2707 14.9906 14.9906 15.8559 15.8559 16.6357 16.6357 17.2886 17.2886 17.6271 17.6271 20.1178 20.1178 k = 0.4388 0.5000-0.0000 ( 2800 PWs) bands (ev): -56.1037 -56.1037 -28.7196 -28.7196 -25.5811 -25.5811 -25.5193 -25.5193 10.4733 10.4733 10.6543 10.6543 12.1845 12.1845 12.2539 12.2539 15.0723 15.0723 15.8708 15.8708 16.7219 16.7219 17.2259 17.2259 17.6599 17.6599 20.1595 20.1595 k = 0.4490 0.5000-0.0000 ( 2800 PWs) bands (ev): -56.1036 -56.1036 -28.7198 -28.7198 -25.5814 -25.5814 -25.5194 -25.5194 10.4600 10.4600 10.6417 10.6417 12.1706 12.1706 12.2396 12.2396 15.1443 15.1443 15.8880 15.8880 16.7985 16.7985 17.1653 17.1653 17.6866 17.6866 20.1946 20.1946 k = 0.4592 0.5000-0.0000 ( 2800 PWs) bands (ev): -56.1036 -56.1036 -28.7199 -28.7199 -25.5817 -25.5817 -25.5194 -25.5194 10.4492 10.4492 10.6314 10.6314 12.1592 12.1592 12.2279 12.2279 15.2050 15.2050 15.9068 15.9068 16.8641 16.8641 17.1092 17.1092 17.7074 17.7074 20.2223 20.2223 k = 0.4694 0.5000-0.0000 ( 2800 PWs) bands (ev): -56.1036 -56.1036 -28.7200 -28.7200 -25.5819 -25.5819 -25.5194 -25.5194 10.4407 10.4407 10.6233 10.6233 12.1503 12.1503 12.2188 12.2188 15.2530 15.2530 15.9256 15.9256 16.9172 16.9172 17.0604 17.0604 17.7226 17.7226 20.2422 20.2422 k = 0.4796 0.5000-0.0000 ( 2800 PWs) bands (ev): -56.1036 -56.1036 -28.7201 -28.7201 -25.5821 -25.5821 -25.5194 -25.5194 10.4346 10.4346 10.6176 10.6176 12.1439 12.1439 12.2123 12.2123 15.2876 15.2876 15.9422 15.9422 16.9564 16.9564 17.0222 17.0222 17.7330 17.7330 20.2545 20.2545 k = 0.4898 0.5000-0.0000 ( 2808 PWs) bands (ev): -56.1036 -56.1036 -28.7201 -28.7201 -25.5822 -25.5822 -25.5195 -25.5195 10.4310 10.4310 10.6141 10.6141 12.1400 12.1400 12.2084 12.2084 15.3084 15.3084 15.9538 15.9538 16.9801 16.9801 16.9980 16.9980 17.7389 17.7389 20.2607 20.2607 k = 0.5000 0.5000-0.0000 ( 2832 PWs) bands (ev): -56.1035 -56.1035 -28.7202 -28.7202 -25.5823 -25.5823 -25.5195 -25.5195 10.4298 10.4298 10.6130 10.6130 12.1388 12.1388 12.2071 12.2071 15.3153 15.3153 15.9579 15.9579 16.9860 16.9860 16.9917 16.9917 17.7408 17.7408 20.2625 20.2625 k = 0.5000 0.5000-0.0000 ( 2832 PWs) bands (ev): -56.1035 -56.1035 -28.7202 -28.7202 -25.5823 -25.5823 -25.5195 -25.5195 10.4298 10.4298 10.6130 10.6130 12.1388 12.1388 12.2071 12.2071 15.3153 15.3153 15.9579 15.9579 16.9860 16.9860 16.9917 16.9917 17.7408 17.7408 20.2625 20.2625 k = 0.4928 0.4928-0.0000 ( 2814 PWs) bands (ev): -56.1036 -56.1036 -28.7202 -28.7202 -25.5822 -25.5822 -25.5195 -25.5195 10.4310 10.4310 10.6141 10.6141 12.1400 12.1400 12.2084 12.2084 15.3083 15.3083 15.9536 15.9536 16.9846 16.9846 16.9935 16.9935 17.7388 17.7388 20.2606 20.2606 k = 0.4855 0.4855-0.0000 ( 2802 PWs) bands (ev): -56.1036 -56.1036 -28.7201 -28.7201 -25.5821 -25.5821 -25.5194 -25.5194 10.4347 10.4347 10.6176 10.6176 12.1438 12.1438 12.2124 12.2124 15.2877 15.2877 15.9408 15.9408 16.9767 16.9767 17.0026 17.0026 17.7331 17.7331 20.2528 20.2528 k = 0.4783 0.4783-0.0000 ( 2802 PWs) bands (ev): -56.1036 -56.1036 -28.7200 -28.7200 -25.5819 -25.5819 -25.5194 -25.5194 10.4407 10.4407 10.6235 10.6235 12.1499 12.1499 12.2193 12.2193 15.2542 15.2542 15.9193 15.9193 16.9630 16.9630 17.0178 17.0178 17.7233 17.7233 20.2355 20.2355 k = 0.4710 0.4710-0.0000 ( 2802 PWs) bands (ev): -56.1036 -56.1036 -28.7199 -28.7199 -25.5817 -25.5817 -25.5194 -25.5194 10.4490 10.4490 10.6317 10.6317 12.1581 12.1581 12.2294 12.2294 15.2087 15.2087 15.8893 15.8893 16.9445 16.9445 17.0380 17.0380 17.7095 17.7095 20.2074 20.2074 k = 0.4638 0.4638-0.0000 ( 2802 PWs) bands (ev): -56.1036 -56.1036 -28.7198 -28.7198 -25.5814 -25.5814 -25.5194 -25.5194 10.4593 10.4593 10.6424 10.6424 12.1678 12.1678 12.2429 12.2429 15.1526 15.1526 15.8507 15.8507 16.9219 16.9219 17.0617 17.0617 17.6914 17.6914 20.1696 20.1696 k = 0.4565 0.4565-0.0000 ( 2806 PWs) bands (ev): -56.1037 -56.1037 -28.7197 -28.7197 -25.5811 -25.5811 -25.5193 -25.5193 10.4716 10.4716 10.6555 10.6555 12.1788 12.1788 12.2603 12.2603 15.0871 15.0871 15.8037 15.8037 16.8960 16.8960 17.0877 17.0877 17.6691 17.6691 20.1230 20.1230 k = 0.4493 0.4493-0.0000 ( 2806 PWs) bands (ev): -56.1037 -56.1037 -28.7195 -28.7195 -25.5807 -25.5807 -25.5193 -25.5193 10.4856 10.4856 10.6712 10.6712 12.1909 12.1909 12.2817 12.2817 15.0135 15.0135 15.7484 15.7484 16.8674 16.8674 17.1150 17.1150 17.6426 17.6426 20.0683 20.0683 k = 0.4420 0.4420-0.0000 ( 2798 PWs) bands (ev): -56.1038 -56.1038 -28.7193 -28.7193 -25.5802 -25.5802 -25.5192 -25.5192 10.5010 10.5010 10.6895 10.6895 12.2038 12.2038 12.3073 12.3073 14.9330 14.9330 15.6851 15.6851 16.8370 16.8370 17.1425 17.1425 17.6118 17.6118 20.0061 20.0061 k = 0.4348 0.4348-0.0000 ( 2798 PWs) bands (ev): -56.1039 -56.1039 -28.7190 -28.7190 -25.5796 -25.5796 -25.5192 -25.5192 10.5176 10.5176 10.7104 10.7104 12.2176 12.2176 12.3369 12.3369 14.8467 14.8467 15.6142 15.6142 16.8051 16.8051 17.1693 17.1693 17.5771 17.5771 19.9369 19.9369 k = 0.4275 0.4275-0.0000 ( 2798 PWs) bands (ev): -56.1039 -56.1039 -28.7188 -28.7188 -25.5790 -25.5790 -25.5191 -25.5191 10.5351 10.5351 10.7340 10.7340 12.2324 12.2324 12.3704 12.3704 14.7555 14.7555 15.5362 15.5362 16.7723 16.7723 17.1947 17.1947 17.5387 17.5387 19.8614 19.8614 k = 0.4203 0.4203-0.0000 ( 2790 PWs) bands (ev): -56.1040 -56.1040 -28.7185 -28.7185 -25.5783 -25.5783 -25.5190 -25.5190 10.5531 10.5531 10.7602 10.7602 12.2480 12.2480 12.4079 12.4079 14.6601 14.6601 15.4519 15.4519 16.7388 16.7388 17.2180 17.2180 17.4971 17.4971 19.7801 19.7801 k = 0.4130 0.4130-0.0000 ( 2790 PWs) bands (ev): -56.1041 -56.1041 -28.7181 -28.7181 -25.5776 -25.5776 -25.5189 -25.5189 10.5714 10.5714 10.7890 10.7890 12.2647 12.2647 12.4489 12.4489 14.5614 14.5614 15.3618 15.3618 16.7050 16.7050 17.2386 17.2386 17.4531 17.4531 19.6935 19.6935 k = 0.4058 0.4058-0.0000 ( 2796 PWs) bands (ev): -56.1042 -56.1042 -28.7178 -28.7178 -25.5769 -25.5769 -25.5189 -25.5189 10.5898 10.5898 10.8202 10.8202 12.2824 12.2824 12.4936 12.4936 14.4598 14.4598 15.2667 15.2667 16.6710 16.6710 17.2556 17.2556 17.4079 17.4079 19.6023 19.6023 k = 0.3986 0.3986-0.0000 ( 2804 PWs) bands (ev): -56.1043 -56.1043 -28.7175 -28.7175 -25.5760 -25.5760 -25.5188 -25.5188 10.6079 10.6079 10.8536 10.8536 12.3011 12.3011 12.5416 12.5416 14.3560 14.3560 15.1674 15.1674 16.6369 16.6369 17.2664 17.2664 17.3643 17.3643 19.5071 19.5071 k = 0.3913 0.3913-0.0000 ( 2806 PWs) bands (ev): -56.1044 -56.1044 -28.7171 -28.7171 -25.5751 -25.5751 -25.5187 -25.5187 10.6257 10.6257 10.8889 10.8889 12.3210 12.3210 12.5929 12.5929 14.2504 14.2504 15.0648 15.0648 16.6029 16.6029 17.2618 17.2618 17.3322 17.3322 19.4085 19.4085 k = 0.3841 0.3841-0.0000 ( 2802 PWs) bands (ev): -56.1045 -56.1045 -28.7167 -28.7167 -25.5741 -25.5741 -25.5185 -25.5185 10.6427 10.6427 10.9258 10.9258 12.3418 12.3418 12.6472 12.6472 14.1434 14.1434 14.9597 14.9597 16.5692 16.5692 17.2300 17.2300 17.3238 17.3238 19.3069 19.3069 k = 0.3768 0.3768-0.0000 ( 2806 PWs) bands (ev): -56.1047 -56.1047 -28.7163 -28.7163 -25.5731 -25.5731 -25.5184 -25.5184 10.6588 10.6588 10.9640 10.9640 12.3638 12.3638 12.7045 12.7045 14.0353 14.0353 14.8530 14.8530 16.5358 16.5358 17.1843 17.1843 17.3267 17.3267 19.2031 19.2031 k = 0.3696 0.3696-0.0000 ( 2802 PWs) bands (ev): -56.1048 -56.1048 -28.7158 -28.7158 -25.5720 -25.5720 -25.5182 -25.5182 10.6737 10.6737 11.0031 11.0031 12.3867 12.3867 12.7646 12.7646 13.9265 13.9265 14.7453 14.7453 16.5032 16.5032 17.1350 17.1350 17.3310 17.3310 19.0975 19.0975 k = 0.3623 0.3623-0.0000 ( 2806 PWs) bands (ev): -56.1049 -56.1049 -28.7153 -28.7153 -25.5709 -25.5709 -25.5180 -25.5180 10.6870 10.6870 11.0426 11.0426 12.4107 12.4107 12.8272 12.8272 13.8174 13.8174 14.6378 14.6378 16.4715 16.4715 17.0852 17.0852 17.3344 17.3344 18.9907 18.9907 k = 0.3551 0.3551-0.0000 ( 2814 PWs) bands (ev): -56.1051 -56.1051 -28.7148 -28.7148 -25.5697 -25.5697 -25.5179 -25.5179 10.6984 10.6984 11.0820 11.0820 12.4356 12.4356 12.8921 12.8921 13.7080 13.7080 14.5310 14.5310 16.4412 16.4412 17.0361 17.0361 17.3362 17.3362 18.8833 18.8833 k = 0.3478 0.3478-0.0000 ( 2816 PWs) bands (ev): -56.1053 -56.1053 -28.7142 -28.7142 -25.5685 -25.5685 -25.5177 -25.5177 10.7076 10.7076 11.1209 11.1209 12.4615 12.4615 12.9590 12.9590 13.5989 13.5989 14.4260 14.4260 16.4127 16.4127 16.9883 16.9883 17.3364 17.3364 18.7758 18.7758 k = 0.3406 0.3406-0.0000 ( 2816 PWs) bands (ev): -56.1054 -56.1054 -28.7136 -28.7136 -25.5671 -25.5671 -25.5174 -25.5174 10.7141 10.7141 11.1588 11.1588 12.4882 12.4882 13.0275 13.0275 13.4903 13.4903 14.3236 14.3236 16.3866 16.3866 16.9421 16.9421 17.3351 17.3351 18.6689 18.6689 k = 0.3333 0.3333-0.0000 ( 2830 PWs) bands (ev): -56.1056 -56.1056 -28.7131 -28.7131 -25.5658 -25.5658 -25.5172 -25.5172 10.7176 10.7176 11.1951 11.1951 12.5158 12.5158 13.0967 13.0967 13.3830 13.3830 14.2246 14.2246 16.3634 16.3634 16.8980 16.8980 17.3322 17.3322 18.5630 18.5630 k = 0.3261 0.3261-0.0000 ( 2816 PWs) bands (ev): -56.1058 -56.1058 -28.7124 -28.7124 -25.5643 -25.5643 -25.5169 -25.5169 10.7175 10.7175 11.2293 11.2293 12.5441 12.5441 13.1622 13.1622 13.2811 13.2811 14.1299 14.1299 16.3438 16.3438 16.8562 16.8562 17.3281 17.3281 18.4588 18.4588 k = 0.3188 0.3188-0.0000 ( 2816 PWs) bands (ev): -56.1060 -56.1060 -28.7117 -28.7117 -25.5628 -25.5628 -25.5166 -25.5166 10.7135 10.7135 11.2608 11.2608 12.5730 12.5730 13.1516 13.1516 13.2568 13.2568 14.0406 14.0406 16.3285 16.3285 16.8168 16.8168 17.3228 17.3228 18.3567 18.3567 k = 0.3116 0.3116-0.0000 ( 2808 PWs) bands (ev): -56.1061 -56.1061 -28.7110 -28.7110 -25.5613 -25.5613 -25.5163 -25.5163 10.7050 10.7050 11.2893 11.2893 12.6025 12.6025 13.0531 13.0531 13.3215 13.3215 13.9577 13.9577 16.3182 16.3182 16.7798 16.7798 17.3164 17.3164 18.2575 18.2575 k = 0.3043 0.3043-0.0000 ( 2808 PWs) bands (ev): -56.1063 -56.1063 -28.7103 -28.7103 -25.5597 -25.5597 -25.5160 -25.5160 10.6916 10.6916 11.3140 11.3140 12.6321 12.6321 12.9501 12.9501 13.3911 13.3911 13.8825 13.8825 16.3134 16.3134 16.7455 16.7455 17.3092 17.3092 18.1617 18.1617 k = 0.2971 0.2971-0.0000 ( 2804 PWs) bands (ev): -56.1065 -56.1065 -28.7095 -28.7095 -25.5581 -25.5581 -25.5156 -25.5156 10.6729 10.6729 11.3348 11.3348 12.6606 12.6606 12.8489 12.8489 13.4586 13.4586 13.8172 13.8172 16.3149 16.3149 16.7138 16.7138 17.3013 17.3013 18.0701 18.0701 k = 0.2899 0.2899-0.0000 ( 2808 PWs) bands (ev): -56.1068 -56.1068 -28.7088 -28.7088 -25.5564 -25.5564 -25.5153 -25.5153 10.6487 10.6487 11.3511 11.3511 12.6792 12.6792 12.7592 12.7592 13.5184 13.5184 13.7664 13.7664 16.3230 16.3230 16.6849 16.6849 17.2927 17.2927 17.9832 17.9832 k = 0.2826 0.2826-0.0000 ( 2806 PWs) bands (ev): -56.1070 -56.1070 -28.7080 -28.7080 -25.5547 -25.5547 -25.5149 -25.5149 10.6186 10.6186 11.3628 11.3628 12.6263 12.6263 12.7427 12.7427 13.5582 13.5582 13.7423 13.7423 16.3384 16.3384 16.6589 16.6589 17.2837 17.2837 17.9018 17.9018 k = 0.2754 0.2754-0.0000 ( 2804 PWs) bands (ev): -56.1072 -56.1072 -28.7072 -28.7072 -25.5529 -25.5529 -25.5144 -25.5144 10.5825 10.5825 11.3696 11.3696 12.5322 12.5322 12.7693 12.7693 13.5625 13.5625 13.7597 13.7597 16.3612 16.3612 16.6359 16.6359 17.2743 17.2743 17.8267 17.8267 k = 0.2681 0.2681-0.0000 ( 2800 PWs) bands (ev): -56.1074 -56.1074 -28.7064 -28.7064 -25.5511 -25.5511 -25.5140 -25.5140 10.5405 10.5405 11.3715 11.3715 12.4352 12.4352 12.8005 12.8005 13.5430 13.5430 13.8062 13.8062 16.3915 16.3915 16.6163 16.6163 17.2647 17.2647 17.7587 17.7587 k = 0.2609 0.2609-0.0000 ( 2800 PWs) bands (ev): -56.1076 -56.1076 -28.7056 -28.7056 -25.5493 -25.5493 -25.5136 -25.5136 10.4926 10.4926 11.3686 11.3686 12.3390 12.3390 12.8330 12.8330 13.5185 13.5185 13.8621 13.8621 16.4286 16.4286 16.6009 16.6009 17.2549 17.2549 17.6985 17.6985 k = 0.2536 0.2536-0.0000 ( 2796 PWs) bands (ev): -56.1079 -56.1079 -28.7047 -28.7047 -25.5475 -25.5475 -25.5131 -25.5131 10.4391 10.4391 11.3610 11.3610 12.2441 12.2441 12.8660 12.8660 13.4966 13.4966 13.9188 13.9188 16.4701 16.4701 16.5923 16.5923 17.2451 17.2451 17.6470 17.6470 k = 0.2464 0.2464-0.0000 ( 2786 PWs) bands (ev): -56.1081 -56.1081 -28.7038 -28.7038 -25.5455 -25.5455 -25.5126 -25.5126 10.3803 10.3803 11.3490 11.3490 12.1509 12.1509 12.8994 12.8994 13.4792 13.4792 13.9730 13.9730 16.5072 16.5072 16.5994 16.5994 17.2353 17.2353 17.6050 17.6050 k = 0.2391 0.2391-0.0000 ( 2794 PWs) bands (ev): -56.1084 -56.1084 -28.7029 -28.7029 -25.5437 -25.5437 -25.5122 -25.5122 10.3168 10.3168 11.3327 11.3327 12.0595 12.0595 12.9329 12.9329 13.4668 13.4668 14.0230 14.0230 16.5245 16.5245 16.6375 16.6375 17.2256 17.2256 17.5733 17.5733 k = 0.2319 0.2319-0.0000 ( 2794 PWs) bands (ev): -56.1086 -56.1086 -28.7021 -28.7021 -25.5418 -25.5418 -25.5117 -25.5117 10.2491 10.2491 11.3127 11.3127 11.9701 11.9701 12.9665 12.9665 13.4592 13.4592 14.0676 14.0676 16.5273 16.5273 16.7012 16.7012 17.2160 17.2160 17.5527 17.5527 k = 0.2246 0.2246-0.0000 ( 2794 PWs) bands (ev): -56.1088 -56.1088 -28.7012 -28.7012 -25.5399 -25.5399 -25.5112 -25.5112 10.1777 10.1777 11.2891 11.2891 11.8827 11.8827 13.0000 13.0000 13.4560 13.4560 14.1060 14.1060 16.5270 16.5270 16.7787 16.7787 17.2066 17.2066 17.5437 17.5437 k = 0.2174 0.2174-0.0000 ( 2798 PWs) bands (ev): -56.1091 -56.1091 -28.7003 -28.7003 -25.5379 -25.5379 -25.5107 -25.5107 10.1033 10.1033 11.2625 11.2625 11.7974 11.7974 13.0334 13.0334 13.4565 13.4565 14.1376 14.1376 16.5275 16.5275 16.8659 16.8659 17.1975 17.1975 17.5469 17.5469 k = 0.2101 0.2101-0.0000 ( 2798 PWs) bands (ev): -56.1093 -56.1093 -28.6994 -28.6994 -25.5360 -25.5360 -25.5101 -25.5101 10.0265 10.0265 11.2331 11.2331 11.7143 11.7143 13.0665 13.0665 13.4603 13.4603 14.1621 14.1621 16.5299 16.5299 16.9610 16.9610 17.1886 17.1886 17.5627 17.5627 k = 0.2029 0.2029-0.0000 ( 2794 PWs) bands (ev): -56.1096 -56.1096 -28.6985 -28.6985 -25.5340 -25.5340 -25.5096 -25.5096 9.9479 9.9479 11.2014 11.2014 11.6335 11.6335 13.0994 13.0994 13.4668 13.4668 14.1793 14.1793 16.5347 16.5347 17.0633 17.0633 17.1800 17.1800 17.5911 17.5911 k = 0.1957 0.1957-0.0000 ( 2794 PWs) bands (ev): -56.1098 -56.1098 -28.6976 -28.6976 -25.5321 -25.5321 -25.5091 -25.5091 9.8681 9.8681 11.1678 11.1678 11.5550 11.5550 13.1319 13.1319 13.4753 13.4753 14.1894 14.1894 16.5421 16.5421 17.1695 17.1695 17.1741 17.1741 17.6320 17.6320 k = 0.1884 0.1884-0.0000 ( 2794 PWs) bands (ev): -56.1100 -56.1100 -28.6967 -28.6967 -25.5302 -25.5302 -25.5085 -25.5085 9.7876 9.7876 11.1326 11.1326 11.4788 11.4788 13.1639 13.1639 13.4854 13.4854 14.1926 14.1926 16.5520 16.5520 17.1636 17.1636 17.2864 17.2864 17.6851 17.6851 k = 0.1812 0.1812-0.0000 ( 2793 PWs) bands (ev): -56.1103 -56.1103 -28.6958 -28.6958 -25.5282 -25.5282 -25.5080 -25.5080 9.7070 9.7070 11.0962 11.0962 11.4051 11.4051 13.1954 13.1954 13.4967 13.4967 14.1895 14.1895 16.5645 16.5645 17.1559 17.1559 17.4057 17.4057 17.7500 17.7500 k = 0.1739 0.1739-0.0000 ( 2805 PWs) bands (ev): -56.1105 -56.1105 -28.6949 -28.6949 -25.5264 -25.5264 -25.5075 -25.5075 9.6267 9.6267 11.0589 11.0589 11.3339 11.3339 13.2263 13.2263 13.5086 13.5086 14.1806 14.1806 16.5794 16.5794 17.1486 17.1486 17.5294 17.5294 17.8261 17.8261 k = 0.1667 0.1667-0.0000 ( 2805 PWs) bands (ev): -56.1108 -56.1108 -28.6941 -28.6941 -25.5245 -25.5245 -25.5070 -25.5070 9.5472 9.5472 11.0211 11.0211 11.2652 11.2652 13.2565 13.2565 13.5210 13.5210 14.1667 14.1667 16.5966 16.5966 17.1417 17.1417 17.6566 17.6566 17.9128 17.9128 k = 0.1594 0.1594-0.0000 ( 2807 PWs) bands (ev): -56.1110 -56.1110 -28.6932 -28.6932 -25.5227 -25.5227 -25.5064 -25.5064 9.4688 9.4688 10.9830 10.9830 11.1991 11.1991 13.2859 13.2859 13.5335 13.5335 14.1484 14.1484 16.6161 16.6161 17.1351 17.1351 17.7866 17.7866 18.0092 18.0092 k = 0.1522 0.1522-0.0000 ( 2807 PWs) bands (ev): -56.1112 -56.1112 -28.6924 -28.6924 -25.5209 -25.5209 -25.5059 -25.5059 9.3919 9.3919 10.9448 10.9448 11.1356 11.1356 13.3144 13.3144 13.5458 13.5458 14.1265 14.1265 16.6376 16.6376 17.1289 17.1289 17.9187 17.9187 18.1146 18.1146 k = 0.1449 0.1449-0.0000 ( 2805 PWs) bands (ev): -56.1114 -56.1114 -28.6915 -28.6915 -25.5191 -25.5191 -25.5054 -25.5054 9.3169 9.3169 10.9070 10.9070 11.0748 11.0748 13.3419 13.3419 13.5578 13.5578 14.1019 14.1019 16.6609 16.6609 17.1231 17.1231 18.0522 18.0522 18.2282 18.2282 k = 0.1377 0.1377-0.0000 ( 2807 PWs) bands (ev): -56.1116 -56.1116 -28.6907 -28.6907 -25.5174 -25.5174 -25.5049 -25.5049 9.2440 9.2440 10.8697 10.8697 11.0168 11.0168 13.3684 13.3684 13.5692 13.5692 14.0751 14.0751 16.6857 16.6857 17.1177 17.1177 18.1866 18.1866 18.3487 18.3487 k = 0.1304 0.1304-0.0000 ( 2807 PWs) bands (ev): -56.1119 -56.1119 -28.6899 -28.6899 -25.5157 -25.5157 -25.5044 -25.5044 9.1736 9.1736 10.8331 10.8331 10.9614 10.9614 13.3938 13.3938 13.5800 13.5800 14.0469 14.0469 16.7120 16.7120 17.1127 17.1127 18.3215 18.3215 18.4751 18.4751 k = 0.1232 0.1232-0.0000 ( 2819 PWs) bands (ev): -56.1121 -56.1121 -28.6892 -28.6892 -25.5142 -25.5142 -25.5039 -25.5039 9.1058 9.1058 10.7974 10.7974 10.9089 10.9089 13.4180 13.4180 13.5901 13.5901 14.0180 14.0180 16.7392 16.7392 17.1081 17.1081 18.4567 18.4567 18.6059 18.6059 k = 0.1159 0.1159-0.0000 ( 2819 PWs) bands (ev): -56.1122 -56.1122 -28.6885 -28.6885 -25.5126 -25.5126 -25.5035 -25.5035 9.0409 9.0409 10.7629 10.7629 10.8592 10.8592 13.4408 13.4408 13.5993 13.5993 13.9889 13.9889 16.7673 16.7673 17.1038 17.1038 18.5920 18.5920 18.7396 18.7396 k = 0.1087 0.1087-0.0000 ( 2823 PWs) bands (ev): -56.1124 -56.1124 -28.6878 -28.6878 -25.5111 -25.5111 -25.5030 -25.5030 8.9791 8.9791 10.7297 10.7297 10.8123 10.8123 13.4623 13.4623 13.6076 13.6076 13.9601 13.9601 16.7958 16.7958 17.0998 17.0998 18.7273 18.7273 18.8747 18.8747 k = 0.1014 0.1014-0.0000 ( 2821 PWs) bands (ev): -56.1126 -56.1126 -28.6871 -28.6871 -25.5097 -25.5097 -25.5026 -25.5026 8.9205 8.9205 10.6980 10.6980 10.7683 10.7683 13.4823 13.4823 13.6149 13.6149 13.9322 13.9322 16.8244 16.8244 17.0963 17.0963 18.8621 18.8621 19.0099 19.0099 k = 0.0942 0.0942-0.0000 ( 2825 PWs) bands (ev): -56.1128 -56.1128 -28.6865 -28.6865 -25.5084 -25.5084 -25.5022 -25.5022 8.8653 8.8653 10.6679 10.6679 10.7272 10.7272 13.5007 13.5007 13.6211 13.6211 13.9058 13.9058 16.8528 16.8528 17.0930 17.0930 18.9959 18.9959 19.1437 19.1437 k = 0.0870 0.0870-0.0000 ( 2825 PWs) bands (ev): -56.1129 -56.1129 -28.6859 -28.6859 -25.5071 -25.5071 -25.5018 -25.5018 8.8138 8.8138 10.6395 10.6395 10.6891 10.6891 13.5176 13.5176 13.6260 13.6260 13.8812 13.8812 16.8808 16.8808 17.0900 17.0900 19.1281 19.1281 19.2750 19.2750 k = 0.0797 0.0797-0.0000 ( 2821 PWs) bands (ev): -56.1131 -56.1131 -28.6854 -28.6854 -25.5059 -25.5059 -25.5014 -25.5014 8.7658 8.7658 10.6130 10.6130 10.6539 10.6539 13.5328 13.5328 13.6295 13.6295 13.8589 13.8589 16.9079 16.9079 17.0874 17.0874 19.2577 19.2577 19.4024 19.4024 k = 0.0725 0.0725-0.0000 ( 2823 PWs) bands (ev): -56.1132 -56.1132 -28.6849 -28.6849 -25.5049 -25.5049 -25.5011 -25.5011 8.7218 8.7218 10.5885 10.5885 10.6217 10.6217 13.5464 13.5464 13.6315 13.6315 13.8394 13.8394 16.9338 16.9338 17.0850 17.0850 19.3837 19.3837 19.5246 19.5246 k = 0.0652 0.0652-0.0000 ( 2831 PWs) bands (ev): -56.1133 -56.1133 -28.6844 -28.6844 -25.5039 -25.5039 -25.5008 -25.5008 8.6816 8.6816 10.5660 10.5660 10.5925 10.5925 13.5584 13.5584 13.6318 13.6318 13.8230 13.8230 16.9583 16.9583 17.0829 17.0829 19.5049 19.5049 19.6404 19.6404 k = 0.0580 0.0580-0.0000 ( 2827 PWs) bands (ev): -56.1134 -56.1134 -28.6840 -28.6840 -25.5030 -25.5030 -25.5005 -25.5005 8.6454 8.6454 10.5457 10.5457 10.5664 10.5664 13.5687 13.5687 13.6304 13.6304 13.8098 13.8098 16.9811 16.9811 17.0811 17.0811 19.6200 19.6200 19.7481 19.7481 k = 0.0507 0.0507-0.0000 ( 2827 PWs) bands (ev): -56.1135 -56.1135 -28.6836 -28.6836 -25.5022 -25.5022 -25.5003 -25.5003 8.6133 8.6133 10.5276 10.5276 10.5433 10.5433 13.5776 13.5776 13.6275 13.6275 13.7997 13.7997 17.0019 17.0019 17.0795 17.0795 19.7273 19.7273 19.8461 19.8461 k = 0.0435 0.0435-0.0000 ( 2827 PWs) bands (ev): -56.1136 -56.1136 -28.6833 -28.6833 -25.5015 -25.5015 -25.5001 -25.5001 8.5853 8.5853 10.5118 10.5118 10.5232 10.5232 13.5850 13.5850 13.6235 13.6235 13.7925 13.7925 17.0205 17.0205 17.0781 17.0781 19.8253 19.8253 19.9322 19.9322 k = 0.0362 0.0362-0.0000 ( 2819 PWs) bands (ev): -56.1137 -56.1137 -28.6830 -28.6830 -25.5008 -25.5008 -25.4998 -25.4998 8.5615 8.5615 10.4984 10.4984 10.5062 10.5062 13.5910 13.5910 13.6188 13.6188 13.7876 13.7876 17.0366 17.0366 17.0770 17.0770 19.9122 19.9122 20.0037 20.0037 k = 0.0290 0.0290-0.0000 ( 2819 PWs) bands (ev): -56.1138 -56.1138 -28.6827 -28.6827 -25.5003 -25.5003 -25.4997 -25.4997 8.5420 8.5420 10.4873 10.4873 10.4923 10.4923 13.5958 13.5958 13.6142 13.6142 13.7846 13.7846 17.0500 17.0500 17.0761 17.0761 19.9863 19.9863 20.0575 20.0575 k = 0.0217 0.0217-0.0000 ( 2817 PWs) bands (ev): -56.1138 -56.1138 -28.6825 -28.6825 -25.5000 -25.5000 -25.4996 -25.4996 8.5268 8.5268 10.4787 10.4787 10.4814 10.4814 13.5994 13.5994 13.6100 13.6100 13.7828 13.7828 17.0606 17.0606 17.0754 17.0754 20.0458 20.0458 20.0927 20.0927 k = 0.0145 0.0145-0.0000 ( 2801 PWs) bands (ev): -56.1138 -56.1138 -28.6823 -28.6823 -25.4996 -25.4996 -25.4994 -25.4994 8.5159 8.5159 10.4725 10.4725 10.4737 10.4737 13.6019 13.6019 13.6067 13.6067 13.7818 13.7818 17.0683 17.0683 17.0749 17.0749 20.0894 20.0894 20.1125 20.1125 k = 0.0072 0.0072-0.0000 ( 2801 PWs) bands (ev): -56.1139 -56.1139 -28.6823 -28.6823 -25.4994 -25.4994 -25.4994 -25.4994 8.5094 8.5094 10.4687 10.4687 10.4690 10.4690 13.6034 13.6034 13.6046 13.6046 13.7813 13.7813 17.0729 17.0729 17.0746 17.0746 20.1160 20.1160 20.1221 20.1221 k = 0.0000 0.0000 0.0000 ( 2801 PWs) bands (ev): -56.1139 -56.1139 -28.6822 -28.6822 -25.4994 -25.4994 -25.4994 -25.4994 8.5072 8.5072 10.4675 10.4675 10.4675 10.4675 13.6039 13.6039 13.6039 13.6039 13.7812 13.7812 17.0745 17.0745 17.0745 17.0745 20.1250 20.1250 20.1250 20.1250 k = 0.0000 0.0000 0.0000 ( 2801 PWs) bands (ev): -56.1139 -56.1139 -28.6822 -28.6822 -25.4994 -25.4994 -25.4994 -25.4994 8.5072 8.5072 10.4675 10.4675 10.4675 10.4675 13.6039 13.6039 13.6039 13.6039 13.7812 13.7812 17.0745 17.0745 17.0745 17.0745 20.1250 20.1250 20.1250 20.1250 k = 0.0060 0.0060 0.0060 ( 2801 PWs) bands (ev): -56.1139 -56.1139 -28.6823 -28.6823 -25.4994 -25.4994 -25.4994 -25.4994 8.5094 8.5094 10.4689 10.4689 10.4689 10.4689 13.6033 13.6033 13.6046 13.6046 13.7813 13.7813 17.0737 17.0737 17.0738 17.0738 20.1156 20.1156 20.1224 20.1224 k = 0.0119 0.0119 0.0119 ( 2801 PWs) bands (ev): -56.1138 -56.1138 -28.6823 -28.6823 -25.4995 -25.4995 -25.4995 -25.4995 8.5160 8.5160 10.4731 10.4731 10.4732 10.4732 13.6016 13.6016 13.6069 13.6069 13.7818 13.7818 17.0713 17.0713 17.0718 17.0718 20.0868 20.0868 20.1146 20.1146 k = 0.0179 0.0179 0.0179 ( 2813 PWs) bands (ev): -56.1138 -56.1138 -28.6825 -28.6825 -25.4998 -25.4998 -25.4996 -25.4996 8.5271 8.5271 10.4801 10.4801 10.4803 10.4803 13.5987 13.5987 13.6105 13.6105 13.7829 13.7829 17.0674 17.0674 17.0684 17.0684 20.0369 20.0369 20.1017 20.1017 k = 0.0238 0.0238 0.0238 ( 2816 PWs) bands (ev): -56.1138 -56.1138 -28.6827 -28.6827 -25.5002 -25.5002 -25.4999 -25.4999 8.5424 8.5424 10.4899 10.4899 10.4902 10.4902 13.5947 13.5947 13.6147 13.6147 13.7850 13.7850 17.0621 17.0621 17.0639 17.0639 19.9655 19.9655 20.0838 20.0838 k = 0.0298 0.0298 0.0298 ( 2813 PWs) bands (ev): -56.1137 -56.1137 -28.6829 -28.6829 -25.5005 -25.5005 -25.5001 -25.5001 8.5622 8.5622 10.5025 10.5025 10.5030 10.5030 13.5895 13.5895 13.6190 13.6190 13.7888 13.7888 17.0553 17.0553 17.0581 17.0581 19.8740 19.8740 20.0610 20.0610 k = 0.0357 0.0357 0.0357 ( 2825 PWs) bands (ev): -56.1136 -56.1136 -28.6833 -28.6833 -25.5011 -25.5011 -25.5005 -25.5005 8.5862 8.5862 10.5178 10.5178 10.5185 10.5185 13.5831 13.5831 13.6225 13.6225 13.7949 13.7949 17.0473 17.0473 17.0513 17.0513 19.7648 19.7648 20.0336 20.0336 k = 0.0417 0.0417 0.0417 ( 2825 PWs) bands (ev): -56.1135 -56.1135 -28.6836 -28.6836 -25.5016 -25.5016 -25.5009 -25.5009 8.6145 8.6145 10.5359 10.5359 10.5368 10.5368 13.5755 13.5755 13.6243 13.6243 13.8042 13.8042 17.0382 17.0382 17.0436 17.0436 19.6409 19.6409 20.0017 20.0017 k = 0.0476 0.0476 0.0476 ( 2831 PWs) bands (ev): -56.1134 -56.1134 -28.6840 -28.6840 -25.5023 -25.5023 -25.5013 -25.5013 8.6470 8.6470 10.5566 10.5566 10.5578 10.5578 13.5667 13.5667 13.6237 13.6237 13.8172 13.8172 17.0281 17.0281 17.0351 17.0351 19.5048 19.5048 19.9657 19.9657 k = 0.0536 0.0536 0.0536 ( 2836 PWs) bands (ev): -56.1133 -56.1133 -28.6845 -28.6845 -25.5030 -25.5030 -25.5018 -25.5018 8.6835 8.6835 10.5800 10.5800 10.5815 10.5815 13.5567 13.5567 13.6201 13.6201 13.8342 13.8342 17.0172 17.0172 17.0259 17.0259 19.3592 19.3592 19.9258 19.9258 k = 0.0595 0.0595 0.0595 ( 2836 PWs) bands (ev): -56.1132 -56.1132 -28.6850 -28.6850 -25.5038 -25.5038 -25.5024 -25.5024 8.7242 8.7242 10.6060 10.6060 10.6079 10.6079 13.5454 13.5454 13.6136 13.6136 13.8549 13.8549 17.0056 17.0056 17.0164 17.0164 19.2063 19.2063 19.8822 19.8822 k = 0.0655 0.0655 0.0655 ( 2830 PWs) bands (ev): -56.1131 -56.1131 -28.6854 -28.6854 -25.5046 -25.5046 -25.5030 -25.5030 8.7688 8.7688 10.6347 10.6347 10.6369 10.6369 13.5327 13.5327 13.6042 13.6042 13.8790 13.8790 16.9936 16.9936 17.0065 17.0065 19.0482 19.0482 19.8352 19.8352 k = 0.0714 0.0714 0.0714 ( 2824 PWs) bands (ev): -56.1129 -56.1129 -28.6860 -28.6860 -25.5055 -25.5055 -25.5036 -25.5036 8.8172 8.8172 10.6658 10.6658 10.6684 10.6684 13.5188 13.5188 13.5921 13.5921 13.9058 13.9058 16.9814 16.9814 16.9966 16.9966 18.8867 18.8867 19.7852 19.7852 k = 0.0774 0.0774 0.0774 ( 2842 PWs) bands (ev): -56.1128 -56.1128 -28.6867 -28.6867 -25.5065 -25.5065 -25.5044 -25.5044 8.8694 8.8694 10.6994 10.6994 10.7025 10.7025 13.5036 13.5036 13.5777 13.5777 13.9348 13.9348 16.9691 16.9691 16.9868 16.9868 18.7236 18.7236 19.7325 19.7325 k = 0.0833 0.0833 0.0833 ( 2842 PWs) bands (ev): -56.1126 -56.1126 -28.6873 -28.6873 -25.5075 -25.5075 -25.5052 -25.5052 8.9253 8.9253 10.7355 10.7355 10.7389 10.7389 13.4870 13.4870 13.5610 13.5610 13.9652 13.9652 16.9571 16.9571 16.9773 16.9773 18.5606 18.5606 19.6772 19.6772 k = 0.0893 0.0893 0.0893 ( 2842 PWs) bands (ev): -56.1124 -56.1124 -28.6880 -28.6880 -25.5086 -25.5086 -25.5060 -25.5060 8.9848 8.9848 10.7739 10.7739 10.7778 10.7778 13.4690 13.4690 13.5423 13.5423 13.9963 13.9963 16.9454 16.9454 16.9683 16.9683 18.3994 18.3994 19.6197 19.6197 k = 0.0952 0.0952 0.0952 ( 2836 PWs) bands (ev): -56.1122 -56.1122 -28.6887 -28.6887 -25.5097 -25.5097 -25.5068 -25.5068 9.0476 9.0476 10.8146 10.8146 10.8190 10.8190 13.4497 13.4497 13.5216 13.5216 14.0272 14.0272 16.9343 16.9343 16.9600 16.9600 18.2415 18.2415 19.5602 19.5602 k = 0.1012 0.1012 0.1012 ( 2836 PWs) bands (ev): -56.1120 -56.1120 -28.6894 -28.6894 -25.5109 -25.5109 -25.5077 -25.5077 9.1138 9.1138 10.8575 10.8575 10.8623 10.8623 13.4291 13.4291 13.4992 13.4992 14.0570 14.0570 16.9241 16.9241 16.9525 16.9525 18.0886 18.0886 19.4991 19.4991 k = 0.1071 0.1071 0.1071 ( 2824 PWs) bands (ev): -56.1118 -56.1118 -28.6902 -28.6902 -25.5120 -25.5120 -25.5087 -25.5087 9.1832 9.1832 10.9026 10.9026 10.9079 10.9079 13.4072 13.4072 13.4750 13.4750 14.0846 14.0846 16.9148 16.9148 16.9461 16.9461 17.9425 17.9425 19.4365 19.4365 k = 0.1131 0.1131 0.1131 ( 2824 PWs) bands (ev): -56.1116 -56.1116 -28.6910 -28.6910 -25.5133 -25.5133 -25.5097 -25.5097 9.2556 9.2556 10.9497 10.9497 10.9555 10.9555 13.3839 13.3839 13.4493 13.4493 14.1089 14.1089 16.9067 16.9067 16.9408 16.9408 17.8048 17.8048 19.3726 19.3726 k = 0.1190 0.1190 0.1190 ( 2824 PWs) bands (ev): -56.1114 -56.1114 -28.6918 -28.6918 -25.5145 -25.5145 -25.5107 -25.5107 9.3309 9.3309 10.9988 10.9988 11.0050 11.0050 13.3594 13.3594 13.4220 13.4220 14.1285 14.1285 16.9000 16.9000 16.9367 16.9367 17.6775 17.6775 19.3078 19.3078 k = 0.1250 0.1250 0.1250 ( 2824 PWs) bands (ev): -56.1111 -56.1111 -28.6927 -28.6927 -25.5158 -25.5158 -25.5118 -25.5118 9.4089 9.4089 11.0497 11.0497 11.0564 11.0564 13.3336 13.3336 13.3932 13.3932 14.1421 14.1421 16.8948 16.8948 16.9340 16.9340 17.5623 17.5623 19.2422 19.2428 k = 0.1310 0.1310 0.1310 ( 2818 PWs) bands (ev): -56.1109 -56.1109 -28.6935 -28.6935 -25.5171 -25.5171 -25.5129 -25.5129 9.4896 9.4896 11.1025 11.1025 11.1096 11.1096 13.3067 13.3067 13.3632 13.3632 14.1481 14.1481 16.8911 16.8911 16.9327 16.9327 17.4613 17.4613 19.1716 19.1716 k = 0.1369 0.1369 0.1369 ( 2809 PWs) bands (ev): -56.1107 -56.1107 -28.6944 -28.6944 -25.5184 -25.5184 -25.5141 -25.5141 9.5728 9.5728 11.1569 11.1569 11.1644 11.1644 13.2786 13.2786 13.3319 13.3319 14.1453 14.1453 16.8892 16.8892 16.9329 16.9329 17.3762 17.3762 19.0989 19.0989 k = 0.1429 0.1429 0.1429 ( 2809 PWs) bands (ev): -56.1104 -56.1104 -28.6953 -28.6953 -25.5197 -25.5197 -25.5153 -25.5153 9.6582 9.6582 11.2128 11.2128 11.2208 11.2208 13.2496 13.2496 13.2994 13.2994 14.1323 14.1323 16.8892 16.8892 16.9345 16.9345 17.3086 17.3086 19.0262 19.0262 k = 0.1488 0.1488 0.1488 ( 2815 PWs) bands (ev): -56.1102 -56.1102 -28.6963 -28.6963 -25.5211 -25.5211 -25.5165 -25.5165 9.7459 9.7459 11.2702 11.2702 11.2786 11.2786 13.2195 13.2195 13.2659 13.2659 14.1083 14.1083 16.8910 16.8910 16.9377 16.9377 17.2597 17.2597 18.9538 18.9538 k = 0.1548 0.1548 0.1548 ( 2818 PWs) bands (ev): -56.1099 -56.1099 -28.6972 -28.6972 -25.5225 -25.5225 -25.5178 -25.5178 9.8356 9.8356 11.3289 11.3289 11.3376 11.3376 13.1886 13.1886 13.2315 13.2315 14.0728 14.0728 16.8948 16.8948 16.9424 16.9424 17.2303 17.2303 18.8817 18.8817 k = 0.1607 0.1607 0.1607 ( 2803 PWs) bands (ev): -56.1097 -56.1097 -28.6982 -28.6982 -25.5238 -25.5238 -25.5191 -25.5191 9.9271 9.9271 11.3889 11.3889 11.3979 11.3979 13.1570 13.1570 13.1962 13.1962 14.0257 14.0257 16.9005 16.9005 16.9490 16.9490 17.2203 17.2203 18.8104 18.8104 k = 0.1667 0.1667 0.1667 ( 2803 PWs) bands (ev): -56.1094 -56.1094 -28.6991 -28.6991 -25.5252 -25.5252 -25.5205 -25.5205 10.0204 10.0204 11.4498 11.4498 11.4591 11.4591 13.1247 13.1247 13.1603 13.1603 13.9676 13.9676 16.9081 16.9081 16.9575 16.9575 17.2292 17.2292 18.7399 18.7399 k = 0.1726 0.1726 0.1726 ( 2803 PWs) bands (ev): -56.1091 -56.1091 -28.7001 -28.7001 -25.5266 -25.5266 -25.5218 -25.5218 10.1152 10.1152 11.5118 11.5118 11.5213 11.5213 13.0918 13.0918 13.1238 13.1238 13.8994 13.8994 16.9175 16.9175 16.9680 16.9680 17.2560 17.2560 18.6705 18.6705 k = 0.1786 0.1786 0.1786 ( 2809 PWs) bands (ev): -56.1089 -56.1089 -28.7012 -28.7012 -25.5280 -25.5280 -25.5233 -25.5233 10.2114 10.2114 11.5745 11.5745 11.5842 11.5842 13.0585 13.0585 13.0869 13.0869 13.8224 13.8224 16.9287 16.9287 16.9803 16.9803 17.2998 17.2998 18.6025 18.6025 k = 0.1845 0.1845 0.1845 ( 2809 PWs) bands (ev): -56.1086 -56.1086 -28.7022 -28.7022 -25.5293 -25.5293 -25.5247 -25.5247 10.3089 10.3089 11.6378 11.6378 11.6477 11.6477 13.0250 13.0250 13.0496 13.0496 13.7380 13.7380 16.9415 16.9415 16.9941 16.9941 17.3593 17.3593 18.5363 18.5363 k = 0.1905 0.1905 0.1905 ( 2803 PWs) bands (ev): -56.1083 -56.1083 -28.7032 -28.7032 -25.5306 -25.5306 -25.5262 -25.5262 10.4075 10.4075 11.7016 11.7016 11.7116 11.7116 12.9913 12.9913 13.0121 13.0121 13.6478 13.6478 16.9557 16.9557 17.0090 17.0090 17.4333 17.4333 18.4723 18.4723 k = 0.1964 0.1964 0.1964 ( 2809 PWs) bands (ev): -56.1080 -56.1080 -28.7043 -28.7043 -25.5320 -25.5320 -25.5277 -25.5277 10.5071 10.5071 11.7658 11.7658 11.7758 11.7758 12.9575 12.9575 12.9745 12.9745 13.5532 13.5532 16.9709 16.9709 17.0244 17.0244 17.5204 17.5204 18.4108 18.4108 k = 0.2024 0.2024 0.2024 ( 2812 PWs) bands (ev): -56.1078 -56.1078 -28.7053 -28.7053 -25.5334 -25.5334 -25.5292 -25.5292 10.6074 10.6074 11.8301 11.8301 11.8401 11.8401 12.9239 12.9239 12.9368 12.9368 13.4558 13.4558 16.9868 16.9868 17.0398 17.0398 17.6193 17.6193 18.3526 18.3526 k = 0.2083 0.2083 0.2083 ( 2806 PWs) bands (ev): -56.1075 -56.1075 -28.7064 -28.7064 -25.5347 -25.5347 -25.5307 -25.5307 10.7083 10.7083 11.8944 11.8944 11.9044 11.9044 12.8905 12.8905 12.8992 12.8992 13.3569 13.3569 17.0030 17.0030 17.0545 17.0545 17.7288 17.7288 18.2983 18.2983 k = 0.2143 0.2143 0.2143 ( 2806 PWs) bands (ev): -56.1072 -56.1072 -28.7074 -28.7074 -25.5360 -25.5360 -25.5323 -25.5323 10.8097 10.8097 11.9586 11.9586 11.9685 11.9685 12.8576 12.8576 12.8617 12.8617 13.2578 13.2578 17.0187 17.0187 17.0679 17.0679 17.8476 17.8476 18.2489 18.2489 k = 0.2202 0.2202 0.2202 ( 2812 PWs) bands (ev): -56.1069 -56.1069 -28.7085 -28.7085 -25.5374 -25.5374 -25.5339 -25.5339 10.9113 10.9113 12.0223 12.0223 12.0321 12.0321 12.8242 12.8242 12.8252 12.8252 13.1595 13.1595 17.0333 17.0333 17.0790 17.0790 17.9737 17.9737 18.2063 18.2063 k = 0.2262 0.2262 0.2262 ( 2812 PWs) bands (ev): -56.1067 -56.1067 -28.7096 -28.7096 -25.5387 -25.5387 -25.5355 -25.5355 11.0130 11.0130 12.0854 12.0854 12.0952 12.0952 12.7866 12.7866 12.7935 12.7935 13.0635 13.0635 17.0460 17.0460 17.0869 17.0869 18.0973 18.0973 18.1804 18.1804 k = 0.2321 0.2321 0.2321 ( 2806 PWs) bands (ev): -56.1064 -56.1064 -28.7106 -28.7106 -25.5400 -25.5400 -25.5371 -25.5371 11.1146 11.1146 12.1476 12.1476 12.1574 12.1574 12.7485 12.7485 12.7628 12.7628 12.9711 12.9711 17.0556 17.0556 17.0904 17.0904 18.1240 18.1240 18.1904 18.1904 k = 0.2381 0.2381 0.2381 ( 2800 PWs) bands (ev): -56.1061 -56.1061 -28.7116 -28.7116 -25.5412 -25.5412 -25.5386 -25.5386 11.2158 11.2158 12.2084 12.2084 12.2184 12.2184 12.7089 12.7089 12.7334 12.7334 12.8843 12.8843 17.0613 17.0613 17.0884 17.0884 18.1068 18.1068 18.1644 18.1644 k = 0.2440 0.2440 0.2440 ( 2800 PWs) bands (ev): -56.1058 -56.1058 -28.7127 -28.7127 -25.5425 -25.5425 -25.5403 -25.5403 11.3164 11.3164 12.2673 12.2673 12.2779 12.2779 12.6663 12.6663 12.7055 12.7055 12.8061 12.8061 17.0620 17.0620 17.0802 17.0802 18.0958 18.0958 18.1467 18.1467 k = 0.2500 0.2500 0.2500 ( 2800 PWs) bands (ev): -56.1056 -56.1056 -28.7138 -28.7138 -25.5438 -25.5438 -25.5419 -25.5419 11.4160 11.4160 12.3227 12.3227 12.3352 12.3352 12.6187 12.6187 12.6797 12.6797 12.7404 12.7404 17.0568 17.0568 17.0652 17.0652 18.0942 18.0942 18.1382 18.1382 k = 0.2560 0.2560 0.2560 ( 2800 PWs) bands (ev): -56.1053 -56.1053 -28.7149 -28.7149 -25.5451 -25.5451 -25.5435 -25.5435 11.5142 11.5142 12.3706 12.3706 12.3892 12.3892 12.5687 12.5687 12.6573 12.6573 12.6893 12.6893 17.0432 17.0432 17.0452 17.0452 18.1024 18.1024 18.1393 18.1393 k = 0.2619 0.2619 0.2619 ( 2806 PWs) bands (ev): -56.1050 -56.1050 -28.7160 -28.7160 -25.5465 -25.5465 -25.5452 -25.5452 11.6102 11.6102 12.3970 12.3970 12.4373 12.4373 12.5325 12.5325 12.6407 12.6407 12.6514 12.6514 17.0145 17.0145 17.0268 17.0268 18.1205 18.1205 18.1504 18.1504 k = 0.2679 0.2679 0.2679 ( 2806 PWs) bands (ev): -56.1048 -56.1048 -28.7171 -28.7171 -25.5477 -25.5477 -25.5468 -25.5468 11.7029 11.7029 12.3797 12.3797 12.4741 12.4741 12.5330 12.5330 12.6274 12.6274 12.6353 12.6353 16.9798 16.9798 17.0020 17.0020 18.1477 18.1477 18.1711 18.1711 k = 0.2738 0.2738 0.2738 ( 2806 PWs) bands (ev): -56.1045 -56.1045 -28.7181 -28.7181 -25.5491 -25.5491 -25.5484 -25.5484 11.7902 11.7902 12.3379 12.3379 12.4923 12.4923 12.5403 12.5403 12.6299 12.6299 12.6485 12.6485 16.9397 16.9397 16.9710 16.9710 18.1834 18.1834 18.2010 18.2010 k = 0.2798 0.2798 0.2798 ( 2806 PWs) bands (ev): -56.1042 -56.1042 -28.7192 -28.7192 -25.5504 -25.5504 -25.5500 -25.5500 11.8680 11.8680 12.2983 12.2983 12.4920 12.4920 12.5284 12.5284 12.6626 12.6626 12.6799 12.6799 16.8952 16.8952 16.9346 16.9346 18.2265 18.2265 18.2393 18.2393 k = 0.2857 0.2857 0.2857 ( 2806 PWs) bands (ev): -56.1040 -56.1040 -28.7203 -28.7203 -25.5516 -25.5516 -25.5516 -25.5516 11.9282 11.9282 12.2756 12.2756 12.4817 12.4817 12.5090 12.5090 12.7068 12.7068 12.7212 12.7212 16.8471 16.8471 16.8936 16.8936 18.2763 18.2763 18.2852 18.2852 k = 0.2917 0.2917 0.2917 ( 2800 PWs) bands (ev): -56.1037 -56.1037 -28.7214 -28.7214 -25.5532 -25.5532 -25.5529 -25.5529 11.9596 11.9596 12.2827 12.2827 12.4675 12.4675 12.4894 12.4894 12.7536 12.7536 12.7662 12.7662 16.7960 16.7960 16.8486 16.8486 18.3319 18.3319 18.3378 18.3378 k = 0.2976 0.2976 0.2976 ( 2797 PWs) bands (ev): -56.1035 -56.1035 -28.7224 -28.7224 -25.5548 -25.5548 -25.5542 -25.5542 11.9601 11.9601 12.3215 12.3215 12.4523 12.4523 12.4722 12.4722 12.8004 12.8004 12.8120 12.8120 16.7427 16.7427 16.8003 16.8003 18.3926 18.3926 18.3964 18.3964 k = 0.3036 0.3036 0.3036 ( 2800 PWs) bands (ev): -56.1032 -56.1032 -28.7235 -28.7235 -25.5564 -25.5564 -25.5555 -25.5555 11.9413 11.9413 12.3755 12.3755 12.4373 12.4373 12.4631 12.4631 12.8463 12.8463 12.8574 12.8574 16.6876 16.6876 16.7495 16.7495 18.4578 18.4579 18.4601 18.4601 k = 0.3095 0.3095 0.3095 ( 2803 PWs) bands (ev): -56.1030 -56.1030 -28.7246 -28.7246 -25.5579 -25.5579 -25.5569 -25.5569 11.9148 11.9148 12.4060 12.4060 12.4230 12.4230 12.4894 12.4894 12.8908 12.8908 12.9018 12.9018 16.6313 16.6313 16.6966 16.6966 18.5270 18.5270 18.5284 18.5284 k = 0.3155 0.3155 0.3155 ( 2803 PWs) bands (ev): -56.1027 -56.1027 -28.7257 -28.7257 -25.5595 -25.5595 -25.5582 -25.5582 11.8871 11.8871 12.4020 12.4020 12.4098 12.4098 12.5559 12.5559 12.9337 12.9337 12.9449 12.9449 16.5741 16.5741 16.6420 16.6420 18.5996 18.5996 18.6005 18.6005 k = 0.3214 0.3214 0.3214 ( 2803 PWs) bands (ev): -56.1025 -56.1025 -28.7267 -28.7267 -25.5610 -25.5610 -25.5595 -25.5595 11.8611 11.8611 12.3913 12.3913 12.3979 12.3979 12.6318 12.6318 12.9748 12.9748 12.9865 12.9865 16.5163 16.5163 16.5862 16.5862 18.6752 18.6752 18.6761 18.6761 k = 0.3274 0.3274 0.3274 ( 2797 PWs) bands (ev): -56.1022 -56.1022 -28.7277 -28.7277 -25.5624 -25.5624 -25.5608 -25.5608 11.8382 11.8382 12.3802 12.3802 12.3872 12.3872 12.7090 12.7090 13.0139 13.0139 13.0265 13.0265 16.4582 16.4582 16.5295 16.5295 18.7535 18.7535 18.7546 18.7546 k = 0.3333 0.3333 0.3333 ( 2791 PWs) bands (ev): -56.1020 -56.1020 -28.7288 -28.7288 -25.5639 -25.5639 -25.5621 -25.5621 11.8192 11.8192 12.3702 12.3702 12.3780 12.3780 12.7853 12.7853 13.0511 13.0511 13.0648 13.0648 16.4001 16.4001 16.4722 16.4722 18.8339 18.8339 18.8355 18.8355 k = 0.3393 0.3393 0.3393 ( 2797 PWs) bands (ev): -56.1018 -56.1018 -28.7298 -28.7298 -25.5653 -25.5653 -25.5634 -25.5634 11.8044 11.8044 12.3615 12.3615 12.3702 12.3702 12.8597 12.8597 13.0863 13.0863 13.1013 13.1013 16.3422 16.3422 16.4146 16.4146 18.9163 18.9163 18.9185 18.9185 k = 0.3452 0.3452 0.3452 ( 2803 PWs) bands (ev): -56.1015 -56.1015 -28.7309 -28.7309 -25.5668 -25.5668 -25.5647 -25.5647 11.7942 11.7942 12.3542 12.3542 12.3639 12.3639 12.9315 12.9315 13.1193 13.1193 13.1361 13.1361 16.2846 16.2846 16.3568 16.3568 19.0002 19.0002 19.0031 19.0031 k = 0.3512 0.3512 0.3512 ( 2809 PWs) bands (ev): -56.1013 -56.1013 -28.7319 -28.7319 -25.5682 -25.5682 -25.5661 -25.5661 11.7886 11.7886 12.3485 12.3485 12.3590 12.3590 13.0003 13.0003 13.1504 13.1504 13.1691 13.1691 16.2276 16.2276 16.2991 16.2991 19.0852 19.0852 19.0890 19.0890 k = 0.3571 0.3571 0.3571 ( 2806 PWs) bands (ev): -56.1011 -56.1011 -28.7329 -28.7329 -25.5695 -25.5695 -25.5674 -25.5674 11.7876 11.7876 12.3442 12.3442 12.3555 12.3555 13.0658 13.0658 13.1793 13.1793 13.2004 13.2004 16.1713 16.1713 16.2417 16.2417 19.1712 19.1712 19.1758 19.1758 k = 0.3631 0.3631 0.3631 ( 2806 PWs) bands (ev): -56.1009 -56.1009 -28.7338 -28.7338 -25.5708 -25.5708 -25.5686 -25.5686 11.7911 11.7911 12.3415 12.3415 12.3533 12.3533 13.1274 13.1274 13.2063 13.2063 13.2299 13.2299 16.1158 16.1158 16.1848 16.1848 19.2577 19.2577 19.2630 19.2630 k = 0.3690 0.3690 0.3690 ( 2815 PWs) bands (ev): -56.1007 -56.1007 -28.7348 -28.7348 -25.5721 -25.5721 -25.5699 -25.5699 11.7991 11.7991 12.3402 12.3402 12.3525 12.3525 13.1848 13.1848 13.2316 13.2316 13.2576 13.2576 16.0615 16.0615 16.1285 16.1285 19.3444 19.3444 19.3505 19.3505 k = 0.3750 0.3750 0.3750 ( 2818 PWs) bands (ev): -56.1005 -56.1005 -28.7358 -28.7358 -25.5733 -25.5733 -25.5712 -25.5712 11.8115 11.8115 12.3403 12.3403 12.3529 12.3529 13.2359 13.2359 13.2569 13.2569 13.2837 13.2837 16.0083 16.0083 16.0731 16.0731 19.4310 19.4310 19.4377 19.4377 k = 0.3810 0.3810 0.3810 ( 2818 PWs) bands (ev): -56.1003 -56.1003 -28.7367 -28.7367 -25.5745 -25.5745 -25.5724 -25.5724 11.8281 11.8281 12.3417 12.3417 12.3546 12.3546 13.2693 13.2693 13.2935 13.2935 13.3081 13.3081 15.9564 15.9564 16.0186 16.0186 19.5171 19.5171 19.5243 19.5243 k = 0.3869 0.3869 0.3869 ( 2824 PWs) bands (ev): -56.1001 -56.1001 -28.7376 -28.7376 -25.5757 -25.5757 -25.5737 -25.5737 11.8488 11.8488 12.3444 12.3444 12.3573 12.3573 13.2895 13.2895 13.3308 13.3308 13.3367 13.3367 15.9060 15.9060 15.9652 15.9652 19.6024 19.6024 19.6101 19.6101 k = 0.3929 0.3929 0.3929 ( 2824 PWs) bands (ev): -56.0999 -56.0999 -28.7385 -28.7385 -25.5768 -25.5768 -25.5748 -25.5748 11.8732 11.8732 12.3483 12.3483 12.3611 12.3611 13.3063 13.3063 13.3519 13.3519 13.3766 13.3766 15.8572 15.8572 15.9132 15.9132 19.6865 19.6865 19.6945 19.6945 k = 0.3988 0.3988 0.3988 ( 2818 PWs) bands (ev): -56.0997 -56.0997 -28.7393 -28.7393 -25.5778 -25.5778 -25.5760 -25.5760 11.9013 11.9013 12.3532 12.3532 12.3657 12.3657 13.3208 13.3208 13.3715 13.3715 13.4121 13.4121 15.8102 15.8102 15.8627 15.8627 19.7691 19.7691 19.7773 19.7773 k = 0.4048 0.4048 0.4048 ( 2812 PWs) bands (ev): -56.0996 -56.0996 -28.7400 -28.7400 -25.5788 -25.5788 -25.5770 -25.5770 11.9326 11.9326 12.3590 12.3590 12.3712 12.3712 13.3332 13.3332 13.3895 13.3895 13.4430 13.4430 15.7651 15.7651 15.8139 15.8139 19.8499 19.8499 19.8581 19.8581 k = 0.4107 0.4107 0.4107 ( 2818 PWs) bands (ev): -56.0994 -56.0994 -28.7408 -28.7408 -25.5797 -25.5797 -25.5781 -25.5781 11.9669 11.9669 12.3657 12.3657 12.3774 12.3774 13.3436 13.3436 13.4060 13.4060 13.4692 13.4692 15.7220 15.7220 15.7669 15.7669 19.9284 19.9284 19.9365 19.9365 k = 0.4167 0.4167 0.4167 ( 2830 PWs) bands (ev): -56.0993 -56.0993 -28.7416 -28.7416 -25.5807 -25.5807 -25.5792 -25.5792 12.0038 12.0038 12.3731 12.3731 12.3842 12.3842 13.3520 13.3520 13.4210 13.4210 13.4907 13.4907 15.6811 15.6811 15.7218 15.7218 20.0043 20.0043 20.0121 20.0121 k = 0.4226 0.4226 0.4226 ( 2824 PWs) bands (ev): -56.0991 -56.0991 -28.7422 -28.7422 -25.5815 -25.5815 -25.5801 -25.5801 12.0429 12.0429 12.3811 12.3811 12.3914 12.3914 13.3585 13.3585 13.4347 13.4347 13.5076 13.5076 15.6424 15.6424 15.6790 15.6790 20.0772 20.0772 20.0847 20.0847 k = 0.4286 0.4286 0.4286 ( 2818 PWs) bands (ev): -56.0990 -56.0990 -28.7429 -28.7429 -25.5823 -25.5823 -25.5810 -25.5810 12.0838 12.0838 12.3894 12.3894 12.3989 12.3989 13.3632 13.3632 13.4470 13.4470 13.5203 13.5203 15.6061 15.6061 15.6385 15.6385 20.1467 20.1467 20.1537 20.1537 k = 0.4345 0.4345 0.4345 ( 2830 PWs) bands (ev): -56.0989 -56.0989 -28.7435 -28.7435 -25.5830 -25.5830 -25.5820 -25.5820 12.1260 12.1260 12.3980 12.3980 12.4065 12.4065 13.3661 13.3661 13.4581 13.4581 13.5289 13.5289 15.5723 15.5723 15.6005 15.6005 20.2125 20.2125 20.2188 20.2188 k = 0.4405 0.4405 0.4405 ( 2836 PWs) bands (ev): -56.0988 -56.0988 -28.7441 -28.7441 -25.5837 -25.5837 -25.5828 -25.5828 12.1688 12.1688 12.4067 12.4067 12.4142 12.4142 13.3672 13.3672 13.4679 13.4679 13.5340 13.5340 15.5411 15.5411 15.5652 15.5652 20.2741 20.2741 20.2798 20.2798 k = 0.4464 0.4464 0.4464 ( 2836 PWs) bands (ev): -56.0987 -56.0987 -28.7446 -28.7446 -25.5843 -25.5843 -25.5836 -25.5836 12.2118 12.2118 12.4153 12.4153 12.4217 12.4217 13.3667 13.3667 13.4765 13.4765 13.5358 13.5358 15.5126 15.5126 15.5327 15.5327 20.3313 20.3313 20.3362 20.3362 k = 0.4524 0.4524 0.4524 ( 2836 PWs) bands (ev): -56.0986 -56.0986 -28.7451 -28.7451 -25.5848 -25.5848 -25.5842 -25.5842 12.2542 12.2542 12.4236 12.4236 12.4289 12.4289 13.3646 13.3646 13.4840 13.4840 13.5352 13.5352 15.4868 15.4868 15.5031 15.5031 20.3835 20.3835 20.3877 20.3877 k = 0.4583 0.4583 0.4583 ( 2836 PWs) bands (ev): -56.0985 -56.0985 -28.7455 -28.7455 -25.5853 -25.5853 -25.5848 -25.5848 12.2951 12.2951 12.4315 12.4315 12.4357 12.4357 13.3610 13.3610 13.4905 13.4905 13.5326 13.5326 15.4639 15.4639 15.4767 15.4767 20.4306 20.4306 20.4339 20.4339 k = 0.4643 0.4643 0.4643 ( 2836 PWs) bands (ev): -56.0984 -56.0984 -28.7458 -28.7458 -25.5857 -25.5857 -25.5854 -25.5854 12.3338 12.3338 12.4387 12.4387 12.4419 12.4419 13.3563 13.3563 13.4959 13.4959 13.5287 13.5287 15.4440 15.4440 15.4535 15.4535 20.4721 20.4721 20.4747 20.4747 k = 0.4702 0.4702 0.4702 ( 2830 PWs) bands (ev): -56.0984 -56.0984 -28.7461 -28.7461 -25.5860 -25.5860 -25.5858 -25.5858 12.3691 12.3691 12.4452 12.4452 12.4474 12.4474 13.3507 13.3507 13.5004 13.5004 13.5243 13.5243 15.4269 15.4269 15.4337 15.4337 20.5078 20.5078 20.5097 20.5097 k = 0.4762 0.4762 0.4762 ( 2824 PWs) bands (ev): -56.0983 -56.0983 -28.7463 -28.7463 -25.5863 -25.5863 -25.5862 -25.5862 12.4001 12.4001 12.4507 12.4507 12.4521 12.4521 13.3447 13.3447 13.5041 13.5041 13.5199 13.5199 15.4130 15.4130 15.4174 15.4174 20.5374 20.5374 20.5387 20.5387 k = 0.4821 0.4821 0.4821 ( 2824 PWs) bands (ev): -56.0983 -56.0983 -28.7465 -28.7465 -25.5865 -25.5865 -25.5865 -25.5865 12.4257 12.4257 12.4551 12.4551 12.4559 12.4559 13.3390 13.3390 13.5068 13.5068 13.5159 13.5159 15.4020 15.4020 15.4045 15.4045 20.5607 20.5607 20.5614 20.5614 k = 0.4881 0.4881 0.4881 ( 2821 PWs) bands (ev): -56.0982 -56.0982 -28.7467 -28.7467 -25.5867 -25.5867 -25.5867 -25.5867 12.4449 12.4449 12.4583 12.4583 12.4586 12.4586 13.3342 13.3342 13.5088 13.5088 13.5129 13.5129 15.3942 15.3942 15.3953 15.3953 20.5775 20.5775 20.5778 20.5778 k = 0.4940 0.4940 0.4940 ( 2800 PWs) bands (ev): -56.0982 -56.0982 -28.7467 -28.7467 -25.5867 -25.5867 -25.5867 -25.5867 12.4568 12.4568 12.4603 12.4603 12.4603 12.4603 13.3310 13.3310 13.5099 13.5099 13.5110 13.5110 15.3895 15.3895 15.3898 15.3898 20.5876 20.5876 20.5877 20.5877 k = 0.5000 0.5000 0.5000 ( 2800 PWs) bands (ev): -56.0982 -56.0982 -28.7467 -28.7467 -25.5867 -25.5867 -25.5867 -25.5867 12.4608 12.4608 12.4608 12.4608 12.4611 12.4611 13.3299 13.3299 13.5103 13.5103 13.5103 13.5103 15.3879 15.3879 15.3879 15.3879 20.5910 20.5910 20.5910 20.5910 k = 0.5000 0.5000 0.5000 ( 2800 PWs) bands (ev): -56.0982 -56.0982 -28.7467 -28.7467 -25.5867 -25.5867 -25.5867 -25.5867 12.4608 12.4608 12.4608 12.4608 12.4611 12.4611 13.3299 13.3299 13.5103 13.5103 13.5103 13.5103 15.3879 15.3879 15.3879 15.3879 20.5910 20.5910 20.5910 20.5910 k = 0.4928 0.5000 0.4928 ( 2804 PWs) bands (ev): -56.0982 -56.0982 -28.7467 -28.7467 -25.5867 -25.5867 -25.5867 -25.5867 12.4574 12.4574 12.4593 12.4593 12.4608 12.4608 13.3310 13.3310 13.5086 13.5086 13.5123 13.5123 15.3887 15.3887 15.3905 15.3905 20.5861 20.5861 20.5892 20.5892 k = 0.4855 0.5000 0.4855 ( 2820 PWs) bands (ev): -56.0982 -56.0982 -28.7467 -28.7467 -25.5867 -25.5867 -25.5866 -25.5866 12.4471 12.4471 12.4545 12.4545 12.4605 12.4605 13.3337 13.3337 13.5038 13.5038 13.5184 13.5184 15.3911 15.3911 15.3982 15.3982 20.5716 20.5716 20.5840 20.5840 k = 0.4783 0.5000 0.4783 ( 2824 PWs) bands (ev): -56.0983 -56.0983 -28.7465 -28.7465 -25.5866 -25.5866 -25.5864 -25.5864 12.4306 12.4306 12.4466 12.4466 12.4600 12.4600 13.3368 13.3368 13.4960 13.4960 13.5292 13.5292 15.3951 15.3951 15.4108 15.4108 20.5477 20.5477 20.5753 20.5753 k = 0.4710 0.5000 0.4710 ( 2828 PWs) bands (ev): -56.0983 -56.0983 -28.7464 -28.7464 -25.5865 -25.5865 -25.5860 -25.5860 12.4085 12.4085 12.4356 12.4356 12.4593 12.4593 13.3384 13.3384 13.4860 13.4860 13.5453 13.5453 15.4006 15.4006 15.4282 15.4282 20.5146 20.5146 20.5632 20.5632 k = 0.4638 0.5000 0.4638 ( 2834 PWs) bands (ev): -56.0984 -56.0984 -28.7461 -28.7461 -25.5863 -25.5863 -25.5855 -25.5855 12.3819 12.3819 12.4219 12.4219 12.4584 12.4584 13.3367 13.3367 13.4745 13.4745 13.5672 13.5672 15.4075 15.4075 15.4500 15.4500 20.4729 20.4729 20.5478 20.5478 k = 0.4565 0.5000 0.4565 ( 2834 PWs) bands (ev): -56.0984 -56.0984 -28.7458 -28.7458 -25.5861 -25.5861 -25.5850 -25.5850 12.3516 12.3516 12.4054 12.4054 12.4574 12.4574 13.3304 13.3304 13.4623 13.4623 13.5946 13.5946 15.4159 15.4159 15.4759 15.4759 20.4229 20.4229 20.5292 20.5292 k = 0.4493 0.5000 0.4493 ( 2834 PWs) bands (ev): -56.0985 -56.0985 -28.7455 -28.7455 -25.5859 -25.5859 -25.5843 -25.5843 12.3184 12.3184 12.3865 12.3865 12.4562 12.4562 13.3187 13.3187 13.4503 13.4503 13.6268 13.6268 15.4257 15.4257 15.5054 15.5054 20.3652 20.3652 20.5074 20.5074 k = 0.4420 0.5000 0.4420 ( 2834 PWs) bands (ev): -56.0986 -56.0986 -28.7451 -28.7451 -25.5856 -25.5856 -25.5835 -25.5835 12.2831 12.2831 12.3655 12.3655 12.4549 12.4549 13.3016 13.3016 13.4390 13.4390 13.6629 13.6629 15.4367 15.4367 15.5382 15.5382 20.3004 20.3004 20.4827 20.4827 k = 0.4348 0.5000 0.4348 ( 2834 PWs) bands (ev): -56.0987 -56.0987 -28.7446 -28.7446 -25.5853 -25.5853 -25.5826 -25.5826 12.2464 12.2464 12.3424 12.3424 12.4535 12.4535 13.2797 13.2797 13.4285 13.4285 13.7021 13.7021 15.4488 15.4488 15.5739 15.5739 20.2290 20.2290 20.4551 20.4551 k = 0.4275 0.5000 0.4275 ( 2834 PWs) bands (ev): -56.0988 -56.0988 -28.7441 -28.7441 -25.5849 -25.5849 -25.5817 -25.5817 12.2087 12.2087 12.3177 12.3177 12.4521 12.4521 13.2536 13.2536 13.4185 13.4185 13.7434 13.7434 15.4621 15.4621 15.6120 15.6120 20.1517 20.1517 20.4249 20.4249 k = 0.4203 0.5000 0.4203 ( 2830 PWs) bands (ev): -56.0989 -56.0989 -28.7436 -28.7436 -25.5845 -25.5845 -25.5806 -25.5806 12.1705 12.1705 12.2916 12.2916 12.4506 12.4506 13.2243 13.2243 13.4086 13.4086 13.7862 13.7862 15.4764 15.4764 15.6522 15.6522 20.0690 20.0690 20.3924 20.3924 k = 0.4130 0.5000 0.4130 ( 2822 PWs) bands (ev): -56.0990 -56.0990 -28.7429 -28.7429 -25.5841 -25.5841 -25.5794 -25.5794 12.1323 12.1323 12.2643 12.2643 12.4491 12.4491 13.1925 13.1925 13.3986 13.3986 13.8297 13.8297 15.4916 15.4916 15.6940 15.6940 19.9814 19.9814 20.3576 20.3576 k = 0.4058 0.5000 0.4058 ( 2818 PWs) bands (ev): -56.0991 -56.0991 -28.7423 -28.7423 -25.5836 -25.5836 -25.5781 -25.5781 12.0943 12.0943 12.2362 12.2362 12.4476 12.4476 13.1589 13.1589 13.3883 13.3883 13.8735 13.8735 15.5077 15.5077 15.7372 15.7372 19.8895 19.8895 20.3210 20.3210 k = 0.3986 0.5000 0.3986 ( 2818 PWs) bands (ev): -56.0992 -56.0992 -28.7416 -28.7416 -25.5832 -25.5832 -25.5768 -25.5768 12.0568 12.0568 12.2074 12.2074 12.4462 12.4462 13.1239 13.1239 13.3776 13.3776 13.9171 13.9171 15.5245 15.5245 15.7812 15.7812 19.7936 19.7936 20.2827 20.2827 k = 0.3913 0.5000 0.3913 ( 2818 PWs) bands (ev): -56.0994 -56.0994 -28.7409 -28.7409 -25.5827 -25.5827 -25.5754 -25.5754 12.0200 12.0200 12.1782 12.1782 12.4449 12.4449 13.0880 13.0880 13.3664 13.3664 13.9601 13.9601 15.5420 15.5420 15.8260 15.8260 19.6943 19.6943 20.2431 20.2431 k = 0.3841 0.5000 0.3841 ( 2806 PWs) bands (ev): -56.0995 -56.0995 -28.7401 -28.7401 -25.5821 -25.5821 -25.5739 -25.5739 11.9842 11.9842 12.1489 12.1489 12.4437 12.4437 13.0515 13.0515 13.3547 13.3547 14.0022 14.0022 15.5600 15.5600 15.8711 15.8711 19.5918 19.5918 20.2026 20.2026 k = 0.3768 0.5000 0.3768 ( 2818 PWs) bands (ev): -56.0997 -56.0997 -28.7394 -28.7394 -25.5816 -25.5816 -25.5725 -25.5725 11.9495 11.9495 12.1196 12.1196 12.4428 12.4428 13.0146 13.0146 13.3425 13.3425 14.0430 14.0430 15.5786 15.5786 15.9162 15.9162 19.4867 19.4867 20.1613 20.1613 k = 0.3696 0.5000 0.3696 ( 2810 PWs) bands (ev): -56.0999 -56.0999 -28.7386 -28.7386 -25.5811 -25.5811 -25.5708 -25.5708 11.9161 11.9161 12.0907 12.0907 12.4420 12.4420 12.9777 12.9777 13.3299 13.3299 14.0821 14.0821 15.5976 15.5976 15.9611 15.9611 19.3791 19.3791 20.1197 20.1197 k = 0.3623 0.5000 0.3623 ( 2810 PWs) bands (ev): -56.1000 -56.1000 -28.7377 -28.7377 -25.5805 -25.5805 -25.5692 -25.5692 11.8840 11.8840 12.0622 12.0622 12.4416 12.4416 12.9409 12.9409 13.3168 13.3168 14.1194 14.1194 15.6171 15.6171 16.0056 16.0056 19.2694 19.2694 20.0781 20.0781 k = 0.3551 0.5000 0.3551 ( 2818 PWs) bands (ev): -56.1002 -56.1002 -28.7369 -28.7369 -25.5800 -25.5800 -25.5675 -25.5675 11.8534 11.8534 12.0343 12.0343 12.4415 12.4415 12.9044 12.9044 13.3035 13.3035 14.1546 14.1546 15.6368 15.6368 16.0495 16.0495 19.1579 19.1579 20.0369 20.0369 k = 0.3478 0.5000 0.3478 ( 2814 PWs) bands (ev): -56.1004 -56.1004 -28.7360 -28.7360 -25.5794 -25.5794 -25.5657 -25.5657 11.8244 11.8244 12.0073 12.0073 12.4417 12.4417 12.8683 12.8683 13.2899 13.2899 14.1874 14.1874 15.6568 15.6568 16.0924 16.0924 19.0447 19.0447 19.9962 19.9962 k = 0.3406 0.5000 0.3406 ( 2810 PWs) bands (ev): -56.1006 -56.1006 -28.7351 -28.7351 -25.5788 -25.5788 -25.5639 -25.5639 11.7971 11.7971 11.9812 11.9812 12.4424 12.4424 12.8328 12.8328 13.2762 13.2762 14.2177 14.2177 15.6771 15.6771 16.1343 16.1343 18.9302 18.9302 19.9565 19.9565 k = 0.3333 0.5000 0.3333 ( 2810 PWs) bands (ev): -56.1008 -56.1008 -28.7342 -28.7342 -25.5782 -25.5782 -25.5621 -25.5621 11.7715 11.7715 11.9562 11.9562 12.4435 12.4435 12.7981 12.7981 13.2626 13.2626 14.2452 14.2452 15.6975 15.6975 16.1750 16.1750 18.8144 18.8144 19.9179 19.9179 k = 0.3261 0.5000 0.3261 ( 2808 PWs) bands (ev): -56.1010 -56.1010 -28.7333 -28.7333 -25.5777 -25.5777 -25.5602 -25.5602 11.7477 11.7477 11.9324 11.9324 12.4450 12.4450 12.7641 12.7641 13.2490 13.2490 14.2699 14.2699 15.7181 15.7181 16.2142 16.2142 18.6977 18.6977 19.8808 19.8808 k = 0.3188 0.5000 0.3188 ( 2800 PWs) bands (ev): -56.1012 -56.1012 -28.7323 -28.7323 -25.5771 -25.5771 -25.5582 -25.5582 11.7257 11.7257 11.9099 11.9099 12.4471 12.4471 12.7311 12.7311 13.2357 13.2357 14.2915 14.2915 15.7387 15.7387 16.2518 16.2518 18.5801 18.5801 19.8453 19.8453 k = 0.3116 0.5000 0.3116 ( 2812 PWs) bands (ev): -56.1014 -56.1014 -28.7314 -28.7314 -25.5765 -25.5765 -25.5563 -25.5563 11.7057 11.7057 11.8887 11.8887 12.4498 12.4498 12.6992 12.6992 13.2228 13.2228 14.3099 14.3099 15.7594 15.7594 16.2878 16.2878 18.4618 18.4618 19.8116 19.8116 k = 0.3043 0.5000 0.3043 ( 2822 PWs) bands (ev): -56.1016 -56.1016 -28.7305 -28.7305 -25.5760 -25.5760 -25.5544 -25.5544 11.6876 11.6876 11.8689 11.8689 12.4529 12.4529 12.6684 12.6684 13.2104 13.2104 14.3251 14.3251 15.7802 15.7802 16.3219 16.3219 18.3430 18.3430 19.7799 19.7799 k = 0.2971 0.5000 0.2971 ( 2822 PWs) bands (ev): -56.1018 -56.1018 -28.7296 -28.7296 -25.5755 -25.5755 -25.5524 -25.5524 11.6714 11.6714 11.8506 11.8506 12.4565 12.4565 12.6390 12.6390 13.1987 13.1987 14.3370 14.3370 15.8009 15.8009 16.3541 16.3541 18.2237 18.2237 19.7501 19.7501 k = 0.2899 0.5000 0.2899 ( 2814 PWs) bands (ev): -56.1020 -56.1020 -28.7286 -28.7286 -25.5749 -25.5749 -25.5504 -25.5504 11.6572 11.6572 11.8337 11.8337 12.4604 12.4604 12.6112 12.6112 13.1879 13.1879 14.3456 14.3456 15.8215 15.8215 16.3843 16.3843 18.1042 18.1042 19.7224 19.7224 k = 0.2826 0.5000 0.2826 ( 2814 PWs) bands (ev): -56.1022 -56.1022 -28.7277 -28.7277 -25.5744 -25.5744 -25.5484 -25.5484 11.6449 11.6449 11.8183 11.8183 12.4642 12.4642 12.5854 12.5854 13.1782 13.1782 14.3509 14.3509 15.8421 15.8421 16.4123 16.4123 17.9844 17.9844 19.6968 19.6968 k = 0.2754 0.5000 0.2754 ( 2814 PWs) bands (ev): -56.1024 -56.1024 -28.7267 -28.7267 -25.5739 -25.5739 -25.5464 -25.5464 11.6347 11.6347 11.8043 11.8043 12.4671 12.4671 12.5626 12.5626 13.1696 13.1696 14.3530 14.3530 15.8626 15.8626 16.4382 16.4382 17.8647 17.8647 19.6730 19.6730 k = 0.2681 0.5000 0.2681 ( 2814 PWs) bands (ev): -56.1026 -56.1026 -28.7258 -28.7258 -25.5734 -25.5734 -25.5444 -25.5444 11.6264 11.6264 11.7918 11.7918 12.4674 12.4674 12.5446 12.5446 13.1625 13.1625 14.3518 14.3518 15.8829 15.8829 16.4619 16.4619 17.7449 17.7449 19.6511 19.6511 k = 0.2609 0.5000 0.2609 ( 2810 PWs) bands (ev): -56.1028 -56.1028 -28.7249 -28.7249 -25.5729 -25.5729 -25.5424 -25.5424 11.6200 11.6200 11.7807 11.7807 12.4621 12.4621 12.5343 12.5343 13.1570 13.1570 14.3475 14.3475 15.9030 15.9030 16.4833 16.4833 17.6253 17.6253 19.6309 19.6309 k = 0.2536 0.5000 0.2536 ( 2810 PWs) bands (ev): -56.1030 -56.1030 -28.7240 -28.7240 -25.5725 -25.5725 -25.5404 -25.5404 11.6156 11.6156 11.7709 11.7709 12.4503 12.4503 12.5328 12.5328 13.1533 13.1533 14.3402 14.3402 15.9229 15.9229 16.5024 16.5024 17.5060 17.5060 19.6121 19.6121 k = 0.2464 0.5000 0.2464 ( 2810 PWs) bands (ev): -56.1032 -56.1032 -28.7231 -28.7231 -25.5720 -25.5720 -25.5384 -25.5384 11.6130 11.6130 11.7623 11.7623 12.4342 12.4342 12.5380 12.5380 13.1516 13.1516 14.3300 14.3300 15.9426 15.9426 16.5192 16.5192 17.3869 17.3869 19.5945 19.5945 k = 0.2391 0.5000 0.2391 ( 2806 PWs) bands (ev): -56.1035 -56.1035 -28.7222 -28.7222 -25.5716 -25.5716 -25.5364 -25.5364 11.6122 11.6122 11.7550 11.7550 12.4164 12.4164 12.5473 12.5473 13.1521 13.1521 14.3172 14.3172 15.9620 15.9620 16.5338 16.5338 17.2683 17.2683 19.5777 19.5777 k = 0.2319 0.5000 0.2319 ( 2806 PWs) bands (ev): -56.1037 -56.1037 -28.7214 -28.7214 -25.5712 -25.5712 -25.5345 -25.5345 11.6132 11.6132 11.7487 11.7487 12.3985 12.3985 12.5591 12.5591 13.1550 13.1550 14.3019 14.3019 15.9811 15.9811 16.5461 16.5461 17.1502 17.1502 19.5614 19.5614 k = 0.2246 0.5000 0.2246 ( 2806 PWs) bands (ev): -56.1039 -56.1039 -28.7205 -28.7205 -25.5709 -25.5709 -25.5326 -25.5326 11.6158 11.6158 11.7435 11.7435 12.3809 12.3809 12.5730 12.5730 13.1606 13.1606 14.2843 14.2843 15.9998 15.9998 16.5561 16.5561 17.0328 17.0328 19.5453 19.5453 k = 0.2174 0.5000 0.2174 ( 2802 PWs) bands (ev): -56.1041 -56.1041 -28.7197 -28.7197 -25.5705 -25.5705 -25.5307 -25.5307 11.6200 11.6200 11.7393 11.7393 12.3641 12.3641 12.5887 12.5887 13.1690 13.1690 14.2647 14.2647 16.0180 16.0180 16.5641 16.5641 16.9160 16.9160 19.5290 19.5290 k = 0.2101 0.5000 0.2101 ( 2802 PWs) bands (ev): -56.1042 -56.1042 -28.7189 -28.7189 -25.5702 -25.5702 -25.5288 -25.5288 11.6254 11.6254 11.7361 11.7361 12.3482 12.3482 12.6061 12.6061 13.1804 13.1804 14.2431 14.2431 16.0359 16.0359 16.5699 16.5699 16.8001 16.8001 19.5119 19.5119 k = 0.2029 0.5000 0.2029 ( 2806 PWs) bands (ev): -56.1044 -56.1044 -28.7182 -28.7182 -25.5699 -25.5699 -25.5270 -25.5270 11.6320 11.6320 11.7339 11.7339 12.3333 12.3333 12.6250 12.6250 13.1950 13.1950 14.2199 14.2199 16.0531 16.0531 16.5737 16.5737 16.6852 16.6852 19.4938 19.4938 k = 0.1957 0.5000 0.1957 ( 2798 PWs) bands (ev): -56.1046 -56.1046 -28.7174 -28.7174 -25.5696 -25.5696 -25.5252 -25.5252 11.6393 11.6393 11.7329 11.7329 12.3194 12.3194 12.6455 12.6455 13.2129 13.2129 14.1954 14.1954 16.0696 16.0696 16.5708 16.5708 16.5763 16.5763 19.4741 19.4741 k = 0.1884 0.5000 0.1884 ( 2798 PWs) bands (ev): -56.1048 -56.1048 -28.7167 -28.7167 -25.5694 -25.5694 -25.5235 -25.5235 11.6470 11.6470 11.7332 11.7332 12.3065 12.3065 12.6677 12.6677 13.2344 13.2344 14.1696 14.1696 16.0849 16.0849 16.4594 16.4594 16.5757 16.5757 19.4524 19.4524 k = 0.1812 0.5000 0.1812 ( 2802 PWs) bands (ev): -56.1050 -56.1050 -28.7160 -28.7160 -25.5692 -25.5692 -25.5218 -25.5218 11.6544 11.6544 11.7354 11.7354 12.2945 12.2945 12.6914 12.6914 13.2594 13.2594 14.1429 14.1429 16.0981 16.0981 16.3500 16.3500 16.5740 16.5740 19.4277 19.4277 k = 0.1739 0.5000 0.1739 ( 2804 PWs) bands (ev): -56.1051 -56.1051 -28.7153 -28.7153 -25.5690 -25.5690 -25.5202 -25.5202 11.6607 11.6607 11.7400 11.7400 12.2836 12.2836 12.7167 12.7167 13.2882 13.2882 14.1155 14.1155 16.1046 16.1046 16.2480 16.2480 16.5708 16.5708 19.3983 19.3983 k = 0.1667 0.5000 0.1667 ( 2804 PWs) bands (ev): -56.1053 -56.1053 -28.7147 -28.7147 -25.5688 -25.5688 -25.5186 -25.5186 11.6654 11.6654 11.7474 11.7474 12.2737 12.2737 12.7437 12.7437 13.3207 13.3207 14.0875 14.0875 16.0782 16.0782 16.1796 16.1796 16.5661 16.5661 19.3532 19.3532 k = 0.1594 0.5000 0.1594 ( 2804 PWs) bands (ev): -56.1055 -56.1055 -28.7141 -28.7141 -25.5687 -25.5687 -25.5171 -25.5171 11.6682 11.6682 11.7576 11.7576 12.2646 12.2646 12.7723 12.7723 13.3569 13.3569 14.0593 14.0593 15.9932 15.9932 16.1704 16.1704 16.5600 16.5600 19.2423 19.2423 k = 0.1522 0.5000 0.1522 ( 2796 PWs) bands (ev): -56.1056 -56.1056 -28.7135 -28.7135 -25.5685 -25.5685 -25.5155 -25.5155 11.6692 11.6692 11.7705 11.7705 12.2565 12.2565 12.8026 12.8026 13.3969 13.3969 14.0310 14.0310 15.8914 15.8914 16.1788 16.1788 16.5528 16.5528 19.0894 19.0894 k = 0.1449 0.5000 0.1449 ( 2804 PWs) bands (ev): -56.1058 -56.1058 -28.7130 -28.7130 -25.5684 -25.5684 -25.5142 -25.5141 11.6688 11.6688 11.7854 11.7854 12.2492 12.2492 12.8345 12.8345 13.4406 13.4406 14.0028 14.0028 15.7873 15.7873 16.1903 16.1903 16.5445 16.5445 18.9311 18.9311 k = 0.1377 0.5000 0.1377 ( 2802 PWs) bands (ev): -56.1059 -56.1059 -28.7125 -28.7125 -25.5683 -25.5683 -25.5128 -25.5128 11.6673 11.6673 11.8020 11.8020 12.2427 12.2427 12.8681 12.8681 13.4879 13.4879 13.9750 13.9750 15.6835 15.6835 16.2026 16.2026 16.5354 16.5354 18.7726 18.7726 k = 0.1304 0.5000 0.1304 ( 2802 PWs) bands (ev): -56.1061 -56.1061 -28.7120 -28.7120 -25.5683 -25.5683 -25.5115 -25.5115 11.6649 11.6649 11.8198 11.8198 12.2370 12.2370 12.9034 12.9034 13.5387 13.5387 13.9477 13.9477 15.5806 15.5806 16.2148 16.2148 16.5255 16.5255 18.6151 18.6151 k = 0.1232 0.5000 0.1232 ( 2806 PWs) bands (ev): -56.1062 -56.1062 -28.7115 -28.7115 -25.5682 -25.5682 -25.5103 -25.5103 11.6620 11.6620 11.8384 11.8384 12.2320 12.2320 12.9404 12.9404 13.5927 13.5927 13.9212 13.9212 15.4789 15.4789 16.2268 16.2268 16.5151 16.5151 18.4593 18.4593 k = 0.1159 0.5000 0.1159 ( 2794 PWs) bands (ev): -56.1063 -56.1063 -28.7110 -28.7110 -25.5681 -25.5681 -25.5090 -25.5090 11.6586 11.6586 11.8575 11.8575 12.2276 12.2276 12.9790 12.9790 13.6495 13.6495 13.8958 13.8958 15.3788 15.3788 16.2384 16.2384 16.5042 16.5042 18.3056 18.3056 k = 0.1087 0.5000 0.1087 ( 2798 PWs) bands (ev): -56.1064 -56.1064 -28.7106 -28.7106 -25.5681 -25.5681 -25.5079 -25.5079 11.6550 11.6550 11.8769 11.8769 12.2238 12.2238 13.0193 13.0193 13.7083 13.7083 13.8723 13.8723 15.2803 15.2803 16.2496 16.2496 16.4931 16.4931 18.1543 18.1543 k = 0.1014 0.5000 0.1014 ( 2798 PWs) bands (ev): -56.1065 -56.1065 -28.7103 -28.7103 -25.5680 -25.5680 -25.5069 -25.5069 11.6511 11.6511 11.8963 11.8963 12.2206 12.2206 13.0611 13.0611 13.7660 13.7660 13.8536 13.8536 15.1836 15.1836 16.2603 16.2603 16.4819 16.4819 18.0057 18.0058 k = 0.0942 0.5000 0.0942 ( 2804 PWs) bands (ev): -56.1066 -56.1066 -28.7099 -28.7099 -25.5680 -25.5680 -25.5059 -25.5059 11.6472 11.6472 11.9156 11.9156 12.2179 12.2179 13.1044 13.1044 13.8005 13.8005 13.8615 13.8615 15.0888 15.0888 16.2704 16.2704 16.4707 16.4707 17.8605 17.8605 k = 0.0870 0.5000 0.0870 ( 2804 PWs) bands (ev): -56.1067 -56.1067 -28.7096 -28.7096 -25.5680 -25.5680 -25.5050 -25.5050 11.6432 11.6432 11.9344 11.9344 12.2156 12.2156 13.1491 13.1491 13.7916 13.7916 13.9161 13.9161 14.9960 14.9960 16.2801 16.2801 16.4598 16.4598 17.7189 17.7189 k = 0.0797 0.5000 0.0797 ( 2800 PWs) bands (ev): -56.1068 -56.1068 -28.7093 -28.7093 -25.5680 -25.5680 -25.5042 -25.5042 11.6393 11.6393 11.9526 11.9526 12.2137 12.2137 13.1951 13.1951 13.7745 13.7745 13.9816 13.9816 14.9053 14.9053 16.2891 16.2891 16.4494 16.4494 17.5816 17.5816 k = 0.0725 0.5000 0.0725 ( 2820 PWs) bands (ev): -56.1069 -56.1069 -28.7091 -28.7091 -25.5681 -25.5681 -25.5035 -25.5035 11.6355 11.6355 11.9701 11.9701 12.2121 12.2121 13.2422 13.2422 13.7573 13.7573 14.0494 14.0494 14.8172 14.8172 16.2976 16.2976 16.4396 16.4396 17.4491 17.4491 k = 0.0652 0.5000 0.0652 ( 2818 PWs) bands (ev): -56.1070 -56.1070 -28.7089 -28.7089 -25.5681 -25.5681 -25.5027 -25.5027 11.6319 11.6319 11.9865 11.9865 12.2109 12.2109 13.2900 13.2900 13.7416 13.7416 14.1175 14.1175 14.7316 14.7316 16.3054 16.3054 16.4308 16.4308 17.3221 17.3221 k = 0.0580 0.5000 0.0580 ( 2822 PWs) bands (ev): -56.1070 -56.1070 -28.7087 -28.7087 -25.5681 -25.5681 -25.5021 -25.5021 11.6286 11.6286 12.0018 12.0018 12.2098 12.2098 13.3382 13.3382 13.7277 13.7277 14.1846 14.1846 14.6492 14.6492 16.3125 16.3125 16.4233 16.4233 17.2016 17.2016 k = 0.0507 0.5000 0.0507 ( 2822 PWs) bands (ev): -56.1071 -56.1071 -28.7085 -28.7085 -25.5682 -25.5682 -25.5016 -25.5016 11.6255 11.6255 12.0158 12.0158 12.2090 12.2090 13.3862 13.3862 13.7163 13.7163 14.2491 14.2491 14.5705 14.5705 16.3185 16.3185 16.4175 16.4175 17.0885 17.0885 k = 0.0435 0.5000 0.0435 ( 2818 PWs) bands (ev): -56.1071 -56.1071 -28.7083 -28.7083 -25.5682 -25.5682 -25.5011 -25.5011 11.6227 11.6227 12.0282 12.0282 12.2084 12.2084 13.4327 13.4327 13.7078 13.7078 14.3086 14.3086 14.4973 14.4973 16.3233 16.3233 16.4141 16.4141 16.9839 16.9839 k = 0.0362 0.5000 0.0362 ( 2814 PWs) bands (ev): -56.1072 -56.1072 -28.7082 -28.7082 -25.5682 -25.5682 -25.5007 -25.5007 11.6203 11.6203 12.0390 12.0390 12.2079 12.2079 13.4764 13.4764 13.7031 13.7031 14.3547 14.3547 14.4372 14.4372 16.3265 16.3265 16.4135 16.4135 16.8890 16.8890 k = 0.0290 0.5000 0.0290 ( 2810 PWs) bands (ev): -56.1072 -56.1072 -28.7080 -28.7080 -25.5682 -25.5682 -25.5003 -25.5003 11.6183 11.6183 12.0481 12.0481 12.2075 12.2075 13.5148 13.5148 13.7034 13.7034 14.3410 14.3410 14.4363 14.4363 16.3281 16.3281 16.4163 16.4163 16.8055 16.8055 k = 0.0217 0.5000 0.0217 ( 2814 PWs) bands (ev): -56.1072 -56.1072 -28.7080 -28.7080 -25.5682 -25.5682 -25.5000 -25.5000 11.6167 11.6167 12.0552 12.0552 12.2072 12.2072 13.5451 13.5451 13.7095 13.7095 14.2913 14.2913 14.4710 14.4710 16.3284 16.3284 16.4222 16.4222 16.7350 16.7350 k = 0.0145 0.5000 0.0145 ( 2822 PWs) bands (ev): -56.1073 -56.1073 -28.7079 -28.7079 -25.5682 -25.5682 -25.4999 -25.4999 11.6156 11.6156 12.0604 12.0604 12.2070 12.2070 13.5653 13.5653 13.7202 13.7202 14.2475 14.2475 14.5006 14.5006 16.3279 16.3279 16.4304 16.4304 16.6798 16.6798 k = 0.0072 0.5000 0.0072 ( 2826 PWs) bands (ev): -56.1073 -56.1073 -28.7079 -28.7079 -25.5682 -25.5682 -25.4998 -25.4998 11.6149 11.6149 12.0635 12.0635 12.2069 12.2069 13.5761 13.5761 13.7309 13.7309 14.2179 14.2179 14.5195 14.5195 16.3273 16.3273 16.4381 16.4381 16.6433 16.6433 k = 0.0000 0.5000-0.0000 ( 2826 PWs) bands (ev): -56.1073 -56.1073 -28.7079 -28.7079 -25.5682 -25.5682 -25.4998 -25.4998 11.6146 11.6146 12.0646 12.0646 12.2068 12.2068 13.5794 13.5794 13.7354 13.7354 14.2074 14.2074 14.5260 14.5260 16.3270 16.3270 16.4415 16.4415 16.6303 16.6303 k = 0.5000 0.5000-0.0000 ( 2832 PWs) bands (ev): -56.1035 -56.1035 -28.7202 -28.7202 -25.5823 -25.5823 -25.5195 -25.5195 10.4298 10.4298 10.6130 10.6130 12.1388 12.1388 12.2071 12.2071 15.3153 15.3153 15.9579 15.9579 16.9860 16.9860 16.9917 16.9917 17.7408 17.7408 20.2625 20.2625 k = 0.5000 0.5000 0.0102 ( 2812 PWs) bands (ev): -56.1035 -56.1035 -28.7202 -28.7202 -25.5823 -25.5823 -25.5195 -25.5195 10.4318 10.4318 10.6148 10.6148 12.1387 12.1387 12.2070 12.2070 15.3153 15.3153 15.9580 15.9580 16.9794 16.9794 16.9848 16.9848 17.7423 17.7423 20.2697 20.2697 k = 0.5000 0.5000 0.0204 ( 2796 PWs) bands (ev): -56.1035 -56.1035 -28.7202 -28.7202 -25.5822 -25.5822 -25.5197 -25.5197 10.4380 10.4380 10.6204 10.6204 12.1385 12.1385 12.2067 12.2067 15.3156 15.3156 15.9583 15.9583 16.9599 16.9599 16.9645 16.9645 17.7470 17.7470 20.2906 20.2906 k = 0.5000 0.5000 0.0306 ( 2796 PWs) bands (ev): -56.1035 -56.1035 -28.7203 -28.7203 -25.5822 -25.5822 -25.5200 -25.5200 10.4483 10.4483 10.6296 10.6296 12.1381 12.1381 12.2062 12.2062 15.3159 15.3159 15.9588 15.9588 16.9279 16.9279 16.9313 16.9313 17.7548 17.7548 20.3226 20.3226 k = 0.5000 0.5000 0.0408 ( 2796 PWs) bands (ev): -56.1035 -56.1035 -28.7205 -28.7205 -25.5823 -25.5823 -25.5205 -25.5205 10.4626 10.4626 10.6425 10.6425 12.1377 12.1377 12.2055 12.2055 15.3164 15.3164 15.9595 15.9595 16.8843 16.8843 16.8861 16.8861 17.7657 17.7657 20.3588 20.3588 k = 0.5000 0.5000 0.0510 ( 2796 PWs) bands (ev): -56.1034 -56.1034 -28.7208 -28.7208 -25.5823 -25.5823 -25.5211 -25.5211 10.4811 10.4811 10.6590 10.6590 12.1371 12.1371 12.2046 12.2046 15.3170 15.3170 15.9603 15.9603 16.8301 16.8301 16.8303 16.8303 17.7797 17.7797 20.3866 20.3866 k = 0.5000 0.5000 0.0612 ( 2796 PWs) bands (ev): -56.1034 -56.1034 -28.7211 -28.7211 -25.5824 -25.5824 -25.5219 -25.5219 10.5036 10.5036 10.6790 10.6790 12.1365 12.1365 12.2036 12.2036 15.3177 15.3177 15.9611 15.9611 16.7646 16.7646 16.7669 16.7669 17.7969 17.7969 20.4013 20.4013 k = 0.5000 0.5000 0.0714 ( 2796 PWs) bands (ev): -56.1033 -56.1033 -28.7214 -28.7214 -25.5824 -25.5824 -25.5228 -25.5228 10.5301 10.5301 10.7025 10.7025 12.1358 12.1358 12.2024 12.2024 15.3186 15.3186 15.9621 15.9621 16.6909 16.6909 16.6954 16.6954 17.8173 17.8173 20.4095 20.4095 k = 0.5000 0.5000 0.0816 ( 2788 PWs) bands (ev): -56.1032 -56.1032 -28.7218 -28.7218 -25.5825 -25.5825 -25.5237 -25.5237 10.5605 10.5605 10.7294 10.7294 12.1351 12.1351 12.2012 12.2012 15.3196 15.3196 15.9629 15.9629 16.6102 16.6102 16.6170 16.6170 17.8408 17.8408 20.4152 20.4152 k = 0.5000 0.5000 0.0918 ( 2788 PWs) bands (ev): -56.1031 -56.1031 -28.7222 -28.7222 -25.5825 -25.5825 -25.5249 -25.5249 10.5950 10.5950 10.7595 10.7595 12.1344 12.1344 12.1999 12.1999 15.3207 15.3207 15.9636 15.9636 16.5238 16.5238 16.5327 16.5327 17.8675 17.8675 20.4199 20.4199 k = 0.5000 0.5000 0.1020 ( 2788 PWs) bands (ev): -56.1030 -56.1030 -28.7227 -28.7227 -25.5826 -25.5826 -25.5261 -25.5261 10.6333 10.6333 10.7928 10.7928 12.1338 12.1338 12.1986 12.1986 15.3219 15.3219 15.9640 15.9640 16.4329 16.4329 16.4436 16.4436 17.8975 17.8975 20.4243 20.4243 k = 0.5000 0.5000 0.1122 ( 2780 PWs) bands (ev): -56.1029 -56.1029 -28.7232 -28.7232 -25.5827 -25.5827 -25.5274 -25.5274 10.6754 10.6754 10.8292 10.8292 12.1332 12.1332 12.1973 12.1973 15.3231 15.3231 15.9636 15.9636 16.3386 16.3386 16.3506 16.3506 17.9306 17.9306 20.4287 20.4287 k = 0.5000 0.5000 0.1224 ( 2788 PWs) bands (ev): -56.1028 -56.1028 -28.7238 -28.7238 -25.5828 -25.5828 -25.5290 -25.5290 10.7213 10.7213 10.8685 10.8685 12.1329 12.1329 12.1961 12.1961 15.3245 15.3245 15.9619 15.9619 16.2425 16.2425 16.2545 16.2545 17.9671 17.9671 20.4330 20.4330 k = 0.5000 0.5000 0.1327 ( 2788 PWs) bands (ev): -56.1027 -56.1027 -28.7244 -28.7244 -25.5829 -25.5829 -25.5305 -25.5305 10.7710 10.7710 10.9105 10.9105 12.1327 12.1327 12.1950 12.1950 15.3260 15.3260 15.9566 15.9566 16.1473 16.1473 16.1560 16.1560 18.0068 18.0068 20.4376 20.4376 k = 0.5000 0.5000 0.1429 ( 2788 PWs) bands (ev): -56.1025 -56.1025 -28.7250 -28.7250 -25.5830 -25.5830 -25.5322 -25.5322 10.8242 10.8242 10.9551 10.9551 12.1327 12.1327 12.1941 12.1941 15.3275 15.3275 15.9397 15.9397 16.0557 16.0557 16.0617 16.0617 18.0499 18.0499 20.4422 20.4422 k = 0.5000 0.5000 0.1531 ( 2788 PWs) bands (ev): -56.1024 -56.1024 -28.7257 -28.7257 -25.5831 -25.5831 -25.5339 -25.5339 10.8811 10.8811 11.0021 11.0021 12.1331 12.1331 12.1934 12.1934 15.3290 15.3290 15.8869 15.8869 15.9542 15.9542 16.0103 16.0103 18.0962 18.0962 20.4470 20.4470 k = 0.5000 0.5000 0.1633 ( 2812 PWs) bands (ev): -56.1023 -56.1023 -28.7265 -28.7265 -25.5833 -25.5833 -25.5358 -25.5358 10.9414 10.9414 11.0514 11.0514 12.1338 12.1338 12.1929 12.1929 15.3305 15.3305 15.7988 15.7988 15.8519 15.8519 15.9930 15.9930 18.1459 18.1459 20.4520 20.4520 k = 0.5000 0.5000 0.1735 ( 2812 PWs) bands (ev): -56.1021 -56.1021 -28.7272 -28.7272 -25.5835 -25.5835 -25.5377 -25.5377 11.0050 11.0050 11.1027 11.1027 12.1349 12.1349 12.1929 12.1929 15.3319 15.3319 15.6992 15.6992 15.7494 15.7494 15.9863 15.9863 18.1990 18.1990 20.4572 20.4572 k = 0.5000 0.5000 0.1837 ( 2812 PWs) bands (ev): -56.1020 -56.1020 -28.7280 -28.7280 -25.5836 -25.5836 -25.5397 -25.5397 11.0719 11.0719 11.1559 11.1559 12.1365 12.1365 12.1932 12.1932 15.3329 15.3329 15.5963 15.5963 15.6473 15.6473 15.9822 15.9822 18.2554 18.2554 20.4625 20.4625 k = 0.5000 0.5000 0.1939 ( 2812 PWs) bands (ev): -56.1018 -56.1018 -28.7288 -28.7288 -25.5837 -25.5837 -25.5417 -25.5417 11.1419 11.1419 11.2107 11.2107 12.1387 12.1387 12.1939 12.1939 15.3331 15.3331 15.4925 15.4925 15.5463 15.5463 15.9786 15.9786 18.3153 18.3153 20.4679 20.4679 k = 0.5000 0.5000 0.2041 ( 2812 PWs) bands (ev): -56.1016 -56.1016 -28.7296 -28.7296 -25.5839 -25.5839 -25.5437 -25.5437 11.2150 11.2150 11.2668 11.2668 12.1415 12.1415 12.1951 12.1951 15.3298 15.3298 15.3886 15.3886 15.4493 15.4493 15.9748 15.9748 18.3784 18.3784 20.4734 20.4734 k = 0.5000 0.5000 0.2143 ( 2820 PWs) bands (ev): -56.1015 -56.1015 -28.7305 -28.7305 -25.5840 -25.5840 -25.5459 -25.5459 11.2908 11.2908 11.3242 11.3242 12.1449 12.1449 12.1969 12.1969 15.2851 15.2851 15.3048 15.3048 15.3749 15.3749 15.9704 15.9704 18.4450 18.4450 20.4791 20.4791 k = 0.5000 0.5000 0.2245 ( 2816 PWs) bands (ev): -56.1013 -56.1013 -28.7313 -28.7313 -25.5841 -25.5841 -25.5480 -25.5480 11.3694 11.3694 11.3824 11.3824 12.1492 12.1492 12.1993 12.1993 15.1825 15.1825 15.2256 15.2256 15.3557 15.3557 15.9651 15.9651 18.5149 18.5149 20.4848 20.4848 k = 0.5000 0.5000 0.2347 ( 2816 PWs) bands (ev): -56.1011 -56.1011 -28.7321 -28.7321 -25.5843 -25.5843 -25.5501 -25.5501 11.4414 11.4414 11.4505 11.4505 12.1543 12.1543 12.2024 12.2024 15.0809 15.0809 15.1307 15.1307 15.3534 15.3534 15.9587 15.9587 18.5880 18.5880 20.4906 20.4906 k = 0.5000 0.5000 0.2449 ( 2816 PWs) bands (ev): -56.1010 -56.1010 -28.7330 -28.7330 -25.5844 -25.5844 -25.5523 -25.5523 11.5008 11.5008 11.5339 11.5339 12.1603 12.1603 12.2061 12.2061 14.9806 14.9806 15.0344 15.0344 15.3539 15.3539 15.9511 15.9511 18.6644 18.6644 20.4964 20.4964 k = 0.5000 0.5000 0.2551 ( 2816 PWs) bands (ev): -56.1008 -56.1008 -28.7338 -28.7338 -25.5846 -25.5846 -25.5544 -25.5544 11.5603 11.5603 11.6192 11.6192 12.1675 12.1675 12.2107 12.2107 14.8817 14.8817 14.9387 14.9387 15.3552 15.3552 15.9422 15.9422 18.7439 18.7439 20.5022 20.5022 k = 0.5000 0.5000 0.2653 ( 2816 PWs) bands (ev): -56.1006 -56.1006 -28.7347 -28.7347 -25.5848 -25.5848 -25.5565 -25.5565 11.6198 11.6198 11.7063 11.7063 12.1759 12.1759 12.2159 12.2159 14.7846 14.7846 14.8444 14.8444 15.3569 15.3569 15.9317 15.9317 18.8265 18.8265 20.5080 20.5080 k = 0.5000 0.5000 0.2755 ( 2816 PWs) bands (ev): -56.1005 -56.1005 -28.7355 -28.7355 -25.5849 -25.5849 -25.5587 -25.5587 11.6790 11.6790 11.7946 11.7946 12.1859 12.1859 12.2221 12.2221 14.6892 14.6892 14.7517 14.7517 15.3588 15.3588 15.9197 15.9197 18.9120 18.9120 20.5138 20.5138 k = 0.5000 0.5000 0.2857 ( 2812 PWs) bands (ev): -56.1003 -56.1003 -28.7363 -28.7363 -25.5850 -25.5850 -25.5608 -25.5608 11.7376 11.7376 11.8833 11.8833 12.1981 12.1981 12.2290 12.2290 14.5957 14.5957 14.6609 14.6609 15.3608 15.3608 15.9058 15.9058 19.0002 19.0002 20.5196 20.5196 k = 0.5000 0.5000 0.2959 ( 2812 PWs) bands (ev): -56.1001 -56.1001 -28.7371 -28.7371 -25.5851 -25.5851 -25.5629 -25.5629 11.7954 11.7954 11.9711 11.9711 12.2135 12.2135 12.2369 12.2369 14.5044 14.5044 14.5721 14.5721 15.3628 15.3628 15.8902 15.8902 19.0910 19.0910 20.5252 20.5252 k = 0.5000 0.5000 0.3061 ( 2812 PWs) bands (ev): -56.1000 -56.1000 -28.7380 -28.7380 -25.5853 -25.5853 -25.5649 -25.5649 11.8521 11.8521 12.0548 12.0548 12.2352 12.2352 12.2456 12.2456 14.4152 14.4152 14.4855 14.4855 15.3649 15.3649 15.8726 15.8726 19.1841 19.1841 20.5308 20.5308 k = 0.5000 0.5000 0.3163 ( 2812 PWs) bands (ev): -56.0998 -56.0998 -28.7388 -28.7388 -25.5854 -25.5854 -25.5669 -25.5669 11.9074 11.9074 12.1270 12.1270 12.2552 12.2552 12.2702 12.2702 14.3284 14.3284 14.4013 14.4013 15.3669 15.3669 15.8530 15.8530 19.2791 19.2791 20.5362 20.5362 k = 0.5000 0.5000 0.3265 ( 2812 PWs) bands (ev): -56.0996 -56.0996 -28.7395 -28.7395 -25.5855 -25.5855 -25.5688 -25.5688 11.9613 11.9613 12.1779 12.1779 12.2657 12.2657 12.3280 12.3280 14.2440 14.2440 14.3195 14.3195 15.3689 15.3689 15.8313 15.8313 19.3759 19.3759 20.5415 20.5415 k = 0.5000 0.5000 0.3367 ( 2812 PWs) bands (ev): -56.0995 -56.0995 -28.7403 -28.7403 -25.5857 -25.5857 -25.5707 -25.5707 12.0133 12.0133 12.2101 12.2101 12.2770 12.2770 12.4058 12.4058 14.1622 14.1622 14.2403 14.2403 15.3708 15.3708 15.8077 15.8077 19.4738 19.4738 20.5466 20.5466 k = 0.5000 0.5000 0.3469 ( 2812 PWs) bands (ev): -56.0994 -56.0994 -28.7410 -28.7410 -25.5858 -25.5858 -25.5725 -25.5725 12.0633 12.0633 12.2335 12.2335 12.2892 12.2892 12.4928 12.4928 14.0832 14.0832 14.1639 14.1639 15.3727 15.3727 15.7819 15.7819 19.5726 19.5726 20.5515 20.5515 k = 0.5000 0.5000 0.3571 ( 2804 PWs) bands (ev): -56.0992 -56.0992 -28.7416 -28.7416 -25.5859 -25.5859 -25.5742 -25.5742 12.1112 12.1112 12.2538 12.2538 12.3021 12.3021 12.5833 12.5833 14.0072 14.0072 14.0904 14.0904 15.3745 15.3745 15.7543 15.7543 19.6715 19.6715 20.5562 20.5562 k = 0.5000 0.5000 0.3673 ( 2820 PWs) bands (ev): -56.0991 -56.0991 -28.7424 -28.7424 -25.5861 -25.5861 -25.5759 -25.5759 12.1566 12.1566 12.2731 12.2731 12.3157 12.3157 12.6744 12.6744 13.9342 13.9342 14.0200 14.0200 15.3762 15.3762 15.7247 15.7247 19.7701 19.7701 20.5607 20.5607 k = 0.5000 0.5000 0.3776 ( 2812 PWs) bands (ev): -56.0990 -56.0990 -28.7429 -28.7429 -25.5862 -25.5862 -25.5774 -25.5774 12.1994 12.1994 12.2920 12.2920 12.3298 12.3298 12.7647 12.7647 13.8647 13.8647 13.9529 13.9529 15.3778 15.3778 15.6936 15.6936 19.8675 19.8675 20.5649 20.5649 k = 0.5000 0.5000 0.3878 ( 2820 PWs) bands (ev): -56.0989 -56.0989 -28.7436 -28.7436 -25.5863 -25.5863 -25.5788 -25.5788 12.2395 12.2395 12.3110 12.3110 12.3444 12.3444 12.8531 12.8531 13.7987 13.7987 13.8893 13.8893 15.3794 15.3794 15.6611 15.6611 19.9629 19.9629 20.5689 20.5689 k = 0.5000 0.5000 0.3980 ( 2828 PWs) bands (ev): -56.0987 -56.0987 -28.7441 -28.7441 -25.5864 -25.5864 -25.5802 -25.5802 12.2766 12.2766 12.3300 12.3300 12.3593 12.3593 12.9387 12.9387 13.7367 13.7367 13.8295 13.8295 15.3808 15.3808 15.6276 15.6276 20.0556 20.0556 20.5726 20.5726 k = 0.5000 0.5000 0.4082 ( 2828 PWs) bands (ev): -56.0986 -56.0986 -28.7446 -28.7446 -25.5864 -25.5864 -25.5815 -25.5815 12.3106 12.3106 12.3489 12.3489 12.3743 12.3743 13.0204 13.0204 13.6792 13.6792 13.7737 13.7737 15.3821 15.3821 15.5935 15.5935 20.1444 20.1444 20.5760 20.5760 k = 0.5000 0.5000 0.4184 ( 2828 PWs) bands (ev): -56.0986 -56.0986 -28.7451 -28.7451 -25.5865 -25.5865 -25.5826 -25.5826 12.3415 12.3415 12.3676 12.3676 12.3890 12.3890 13.0970 13.0970 13.6266 13.6266 13.7222 13.7222 15.3833 15.3833 15.5595 15.5595 20.2283 20.2283 20.5791 20.5791 k = 0.5000 0.5000 0.4286 ( 2828 PWs) bands (ev): -56.0985 -56.0985 -28.7455 -28.7455 -25.5866 -25.5866 -25.5836 -25.5836 12.3690 12.3690 12.3858 12.3858 12.4033 12.4033 13.1669 13.1669 13.5800 13.5800 13.6753 13.6753 15.3844 15.3844 15.5262 15.5262 20.3063 20.3063 20.5818 20.5818 k = 0.5000 0.5000 0.4388 ( 2828 PWs) bands (ev): -56.0984 -56.0984 -28.7458 -28.7458 -25.5867 -25.5867 -25.5844 -25.5844 12.3930 12.3930 12.4030 12.4030 12.4168 12.4168 13.2281 13.2281 13.5408 13.5408 13.6335 13.6335 15.3853 15.3853 15.4944 15.4944 20.3770 20.3770 20.5842 20.5842 k = 0.5000 0.5000 0.4490 ( 2820 PWs) bands (ev): -56.0983 -56.0983 -28.7461 -28.7461 -25.5867 -25.5867 -25.5851 -25.5851 12.4136 12.4136 12.4189 12.4189 12.4292 12.4292 13.2778 13.2778 13.5112 13.5112 13.5971 13.5971 15.3861 15.3861 15.4651 15.4651 20.4394 20.4394 20.5862 20.5862 k = 0.5000 0.5000 0.4592 ( 2820 PWs) bands (ev): -56.0983 -56.0983 -28.7463 -28.7463 -25.5867 -25.5867 -25.5857 -25.5857 12.4305 12.4305 12.4330 12.4330 12.4400 12.4400 13.3120 13.3120 13.4945 13.4945 13.5666 13.5666 15.3868 15.3868 15.4391 15.4391 20.4924 20.4924 20.5879 20.5879 k = 0.5000 0.5000 0.4694 ( 2820 PWs) bands (ev): -56.0983 -56.0983 -28.7465 -28.7465 -25.5867 -25.5867 -25.5862 -25.5862 12.4437 12.4437 12.4447 12.4447 12.4489 12.4489 13.3286 13.3286 13.4922 13.4922 13.5423 13.5423 15.3873 15.3873 15.4176 15.4176 20.5348 20.5348 20.5893 20.5893 k = 0.5000 0.5000 0.4796 ( 2820 PWs) bands (ev): -56.0982 -56.0982 -28.7467 -28.7467 -25.5868 -25.5868 -25.5866 -25.5866 12.4532 12.4532 12.4535 12.4535 12.4555 12.4555 13.3322 13.3322 13.4992 13.4992 13.5246 13.5246 15.3876 15.3876 15.4014 15.4014 20.5657 20.5657 20.5902 20.5902 k = 0.5000 0.5000 0.4898 ( 2800 PWs) bands (ev): -56.0982 -56.0982 -28.7467 -28.7467 -25.5867 -25.5867 -25.5867 -25.5867 12.4589 12.4589 12.4590 12.4590 12.4596 12.4596 13.3309 13.3309 13.5071 13.5071 13.5139 13.5139 15.3879 15.3879 15.3914 15.3914 20.5846 20.5846 20.5908 20.5908 k = 0.5000 0.5000 0.5000 ( 2800 PWs) bands (ev): -56.0982 -56.0982 -28.7467 -28.7467 -25.5867 -25.5867 -25.5867 -25.5867 12.4608 12.4608 12.4608 12.4608 12.4611 12.4611 13.3299 13.3299 13.5103 13.5103 13.5103 13.5103 15.3879 15.3879 15.3879 15.3879 20.5910 20.5910 20.5910 20.5910 Writing output data file ZrRu.save init_run : 0.30s CPU 0.40s WALL ( 1 calls) electrons : 41.44s CPU 42.52s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 41.43s CPU 42.51s 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) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 375 calls) cegterg : 37.15s CPU 37.87s WALL ( 382 calls) Called by sum_band: Called by *egterg: h_psi : 20.37s CPU 20.89s WALL ( 5805 calls) g_psi : 0.10s CPU 0.08s WALL ( 5048 calls) cdiaghg : 16.45s CPU 16.77s WALL ( 5423 calls) cegterg:over : 1.48s CPU 1.48s WALL ( 5048 calls) cegterg:upda : 0.99s CPU 1.08s WALL ( 5048 calls) cegterg:last : 0.51s CPU 0.50s WALL ( 1133 calls) cdiaghg:chol : 0.88s CPU 0.86s WALL ( 5423 calls) cdiaghg:inve : 0.28s CPU 0.31s WALL ( 5423 calls) cdiaghg:para : 0.98s CPU 1.12s WALL ( 10846 calls) Called by h_psi: h_psi:vloc : 18.67s CPU 19.19s WALL ( 5805 calls) h_psi:vnl : 1.65s CPU 1.67s WALL ( 5805 calls) add_vuspsi : 0.86s CPU 0.89s WALL ( 5805 calls) General routines calbec : 0.78s CPU 0.76s WALL ( 5805 calls) fft : 0.00s CPU 0.00s WALL ( 14 calls) fftw : 17.71s CPU 18.29s WALL ( 411296 calls) davcio : 0.11s CPU 0.10s WALL ( 750 calls) Parallel routines fft_scatter : 8.68s CPU 9.16s WALL ( 411310 calls) PWSCF : 0m49.96s CPU 1m 6.32s WALL This run was terminated on: 21:11:47 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=