Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:57: 1 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: ./HfPt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 16 4 957 276 48 Max 36 17 5 960 299 53 Sum 1281 577 177 34505 10251 1839 bravais-lattice index = 14 lattice parameter (alat) = 6.1038 a.u. unit-cell volume = 227.4071 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.103815 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) Pt 10.00 195.08400 Pt( 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= 376 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0000000 0.0102041 -0.0000000), wk = 0.0026596 k( 3) = ( 0.0000000 0.0204082 -0.0000000), wk = 0.0026596 k( 4) = ( 0.0000000 0.0306122 -0.0000000), wk = 0.0026596 k( 5) = ( 0.0000000 0.0408163 -0.0000000), wk = 0.0026596 k( 6) = ( 0.0000000 0.0510204 -0.0000000), wk = 0.0026596 k( 7) = ( 0.0000000 0.0612245 -0.0000000), wk = 0.0026596 k( 8) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0026596 k( 9) = ( 0.0000000 0.0816327 -0.0000000), wk = 0.0026596 k( 10) = ( 0.0000000 0.0918367 -0.0000000), wk = 0.0026596 k( 11) = ( 0.0000000 0.1020408 -0.0000000), wk = 0.0026596 k( 12) = ( 0.0000000 0.1122449 -0.0000000), wk = 0.0026596 k( 13) = ( 0.0000000 0.1224490 -0.0000000), wk = 0.0026596 k( 14) = ( 0.0000000 0.1326531 -0.0000000), wk = 0.0026596 k( 15) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0026596 k( 16) = ( 0.0000000 0.1530612 -0.0000000), wk = 0.0026596 k( 17) = ( 0.0000000 0.1632653 -0.0000000), wk = 0.0026596 k( 18) = ( 0.0000000 0.1734694 -0.0000000), wk = 0.0026596 k( 19) = ( 0.0000000 0.1836735 -0.0000000), wk = 0.0026596 k( 20) = ( 0.0000000 0.1938776 -0.0000000), wk = 0.0026596 k( 21) = ( 0.0000000 0.2040816 -0.0000000), wk = 0.0026596 k( 22) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0026596 k( 23) = ( 0.0000000 0.2244898 -0.0000000), wk = 0.0026596 k( 24) = ( 0.0000000 0.2346939 -0.0000000), wk = 0.0026596 k( 25) = ( 0.0000000 0.2448980 -0.0000000), wk = 0.0026596 k( 26) = ( 0.0000000 0.2551020 -0.0000000), wk = 0.0026596 k( 27) = ( 0.0000000 0.2653061 -0.0000000), wk = 0.0026596 k( 28) = ( 0.0000000 0.2755102 -0.0000000), wk = 0.0026596 k( 29) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0026596 k( 30) = ( 0.0000000 0.2959184 -0.0000000), wk = 0.0026596 k( 31) = ( 0.0000000 0.3061224 -0.0000000), wk = 0.0026596 k( 32) = ( 0.0000000 0.3163265 -0.0000000), wk = 0.0026596 k( 33) = ( 0.0000000 0.3265306 -0.0000000), wk = 0.0026596 k( 34) = ( 0.0000000 0.3367347 -0.0000000), wk = 0.0026596 k( 35) = ( 0.0000000 0.3469388 -0.0000000), wk = 0.0026596 k( 36) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0026596 k( 37) = ( 0.0000000 0.3673469 -0.0000000), wk = 0.0026596 k( 38) = ( 0.0000000 0.3775510 -0.0000000), wk = 0.0026596 k( 39) = ( 0.0000000 0.3877551 -0.0000000), wk = 0.0026596 k( 40) = ( 0.0000000 0.3979592 -0.0000000), wk = 0.0026596 k( 41) = ( 0.0000000 0.4081633 -0.0000000), wk = 0.0026596 k( 42) = ( 0.0000000 0.4183674 -0.0000000), wk = 0.0026596 k( 43) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0026596 k( 44) = ( 0.0000000 0.4387755 -0.0000000), wk = 0.0026596 k( 45) = ( 0.0000000 0.4489796 -0.0000000), wk = 0.0026596 k( 46) = ( 0.0000000 0.4591837 -0.0000000), wk = 0.0026596 k( 47) = ( 0.0000000 0.4693878 -0.0000000), wk = 0.0026596 k( 48) = ( 0.0000000 0.4795918 -0.0000000), wk = 0.0026596 k( 49) = ( 0.0000000 0.4897959 -0.0000000), wk = 0.0026596 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026596 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026596 k( 52) = ( 0.0102041 0.5000000 -0.0000000), wk = 0.0026596 k( 53) = ( 0.0204082 0.5000000 -0.0000000), wk = 0.0026596 k( 54) = ( 0.0306122 0.5000000 -0.0000000), wk = 0.0026596 k( 55) = ( 0.0408163 0.5000000 -0.0000000), wk = 0.0026596 k( 56) = ( 0.0510204 0.5000000 -0.0000000), wk = 0.0026596 k( 57) = ( 0.0612245 0.5000000 -0.0000000), wk = 0.0026596 k( 58) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0026596 k( 59) = ( 0.0816327 0.5000000 -0.0000000), wk = 0.0026596 k( 60) = ( 0.0918367 0.5000000 -0.0000000), wk = 0.0026596 k( 61) = ( 0.1020408 0.5000000 -0.0000000), wk = 0.0026596 k( 62) = ( 0.1122449 0.5000000 -0.0000000), wk = 0.0026596 k( 63) = ( 0.1224490 0.5000000 -0.0000000), wk = 0.0026596 k( 64) = ( 0.1326531 0.5000000 -0.0000000), wk = 0.0026596 k( 65) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0026596 k( 66) = ( 0.1530612 0.5000000 -0.0000000), wk = 0.0026596 k( 67) = ( 0.1632653 0.5000000 -0.0000000), wk = 0.0026596 k( 68) = ( 0.1734694 0.5000000 -0.0000000), wk = 0.0026596 k( 69) = ( 0.1836735 0.5000000 -0.0000000), wk = 0.0026596 k( 70) = ( 0.1938776 0.5000000 -0.0000000), wk = 0.0026596 k( 71) = ( 0.2040816 0.5000000 -0.0000000), wk = 0.0026596 k( 72) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026596 k( 73) = ( 0.2244898 0.5000000 -0.0000000), wk = 0.0026596 k( 74) = ( 0.2346939 0.5000000 -0.0000000), wk = 0.0026596 k( 75) = ( 0.2448980 0.5000000 -0.0000000), wk = 0.0026596 k( 76) = ( 0.2551020 0.5000000 -0.0000000), wk = 0.0026596 k( 77) = ( 0.2653061 0.5000000 -0.0000000), wk = 0.0026596 k( 78) = ( 0.2755102 0.5000000 -0.0000000), wk = 0.0026596 k( 79) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026596 k( 80) = ( 0.2959184 0.5000000 -0.0000000), wk = 0.0026596 k( 81) = ( 0.3061224 0.5000000 -0.0000000), wk = 0.0026596 k( 82) = ( 0.3163265 0.5000000 -0.0000000), wk = 0.0026596 k( 83) = ( 0.3265306 0.5000000 -0.0000000), wk = 0.0026596 k( 84) = ( 0.3367347 0.5000000 -0.0000000), wk = 0.0026596 k( 85) = ( 0.3469388 0.5000000 -0.0000000), wk = 0.0026596 k( 86) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0026596 k( 87) = ( 0.3673469 0.5000000 -0.0000000), wk = 0.0026596 k( 88) = ( 0.3775510 0.5000000 -0.0000000), wk = 0.0026596 k( 89) = ( 0.3877551 0.5000000 -0.0000000), wk = 0.0026596 k( 90) = ( 0.3979592 0.5000000 -0.0000000), wk = 0.0026596 k( 91) = ( 0.4081633 0.5000000 -0.0000000), wk = 0.0026596 k( 92) = ( 0.4183674 0.5000000 -0.0000000), wk = 0.0026596 k( 93) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0026596 k( 94) = ( 0.4387755 0.5000000 -0.0000000), wk = 0.0026596 k( 95) = ( 0.4489796 0.5000000 -0.0000000), wk = 0.0026596 k( 96) = ( 0.4591837 0.5000000 -0.0000000), wk = 0.0026596 k( 97) = ( 0.4693878 0.5000000 -0.0000000), wk = 0.0026596 k( 98) = ( 0.4795918 0.5000000 -0.0000000), wk = 0.0026596 k( 99) = ( 0.4897959 0.5000000 -0.0000000), wk = 0.0026596 k( 100) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026596 k( 101) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026596 k( 102) = ( 0.4927536 0.4927536 -0.0000000), wk = 0.0026596 k( 103) = ( 0.4855073 0.4855072 -0.0000000), wk = 0.0026596 k( 104) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0026596 k( 105) = ( 0.4710145 0.4710145 -0.0000000), wk = 0.0026596 k( 106) = ( 0.4637681 0.4637681 -0.0000000), wk = 0.0026596 k( 107) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0026596 k( 108) = ( 0.4492754 0.4492754 -0.0000000), wk = 0.0026596 k( 109) = ( 0.4420290 0.4420290 -0.0000000), wk = 0.0026596 k( 110) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0026596 k( 111) = ( 0.4275362 0.4275362 -0.0000000), wk = 0.0026596 k( 112) = ( 0.4202899 0.4202899 -0.0000000), wk = 0.0026596 k( 113) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0026596 k( 114) = ( 0.4057971 0.4057971 -0.0000000), wk = 0.0026596 k( 115) = ( 0.3985507 0.3985507 -0.0000000), wk = 0.0026596 k( 116) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0026596 k( 117) = ( 0.3840580 0.3840580 -0.0000000), wk = 0.0026596 k( 118) = ( 0.3768116 0.3768116 -0.0000000), wk = 0.0026596 k( 119) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0026596 k( 120) = ( 0.3623188 0.3623188 -0.0000000), wk = 0.0026596 k( 121) = ( 0.3550725 0.3550725 -0.0000000), wk = 0.0026596 k( 122) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0026596 k( 123) = ( 0.3405797 0.3405797 -0.0000000), wk = 0.0026596 k( 124) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026596 k( 125) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0026596 k( 126) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0026596 k( 127) = ( 0.3115942 0.3115942 -0.0000000), wk = 0.0026596 k( 128) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0026596 k( 129) = ( 0.2971014 0.2971014 -0.0000000), wk = 0.0026596 k( 130) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0026596 k( 131) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0026596 k( 132) = ( 0.2753623 0.2753623 -0.0000000), wk = 0.0026596 k( 133) = ( 0.2681159 0.2681159 -0.0000000), wk = 0.0026596 k( 134) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0026596 k( 135) = ( 0.2536232 0.2536232 -0.0000000), wk = 0.0026596 k( 136) = ( 0.2463768 0.2463768 -0.0000000), wk = 0.0026596 k( 137) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0026596 k( 138) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0026596 k( 139) = ( 0.2246377 0.2246377 -0.0000000), wk = 0.0026596 k( 140) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0026596 k( 141) = ( 0.2101449 0.2101449 -0.0000000), wk = 0.0026596 k( 142) = ( 0.2028986 0.2028985 -0.0000000), wk = 0.0026596 k( 143) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0026596 k( 144) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0026596 k( 145) = ( 0.1811594 0.1811594 -0.0000000), wk = 0.0026596 k( 146) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0026596 k( 147) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026596 k( 148) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0026596 k( 149) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0026596 k( 150) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0026596 k( 151) = ( 0.1376812 0.1376812 -0.0000000), wk = 0.0026596 k( 152) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0026596 k( 153) = ( 0.1231884 0.1231884 -0.0000000), wk = 0.0026596 k( 154) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0026596 k( 155) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0026596 k( 156) = ( 0.1014493 0.1014493 -0.0000000), wk = 0.0026596 k( 157) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0026596 k( 158) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0026596 k( 159) = ( 0.0797101 0.0797101 -0.0000000), wk = 0.0026596 k( 160) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0026596 k( 161) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0026596 k( 162) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0026596 k( 163) = ( 0.0507246 0.0507246 -0.0000000), wk = 0.0026596 k( 164) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0026596 k( 165) = ( 0.0362319 0.0362319 -0.0000000), wk = 0.0026596 k( 166) = ( 0.0289855 0.0289855 -0.0000000), wk = 0.0026596 k( 167) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0026596 k( 168) = ( 0.0144928 0.0144927 -0.0000000), wk = 0.0026596 k( 169) = ( 0.0072464 0.0072464 -0.0000000), wk = 0.0026596 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 172) = ( 0.0058823 0.0058823 0.0058823), wk = 0.0026596 k( 173) = ( 0.0117647 0.0117647 0.0117647), wk = 0.0026596 k( 174) = ( 0.0176471 0.0176471 0.0176471), wk = 0.0026596 k( 175) = ( 0.0235294 0.0235294 0.0235294), wk = 0.0026596 k( 176) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0026596 k( 177) = ( 0.0352941 0.0352941 0.0352941), wk = 0.0026596 k( 178) = ( 0.0411765 0.0411765 0.0411765), wk = 0.0026596 k( 179) = ( 0.0470588 0.0470588 0.0470588), wk = 0.0026596 k( 180) = ( 0.0529412 0.0529412 0.0529412), wk = 0.0026596 k( 181) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0026596 k( 182) = ( 0.0647059 0.0647059 0.0647059), wk = 0.0026596 k( 183) = ( 0.0705882 0.0705882 0.0705882), wk = 0.0026596 k( 184) = ( 0.0764706 0.0764706 0.0764706), wk = 0.0026596 k( 185) = ( 0.0823529 0.0823529 0.0823529), wk = 0.0026596 k( 186) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0026596 k( 187) = ( 0.0941176 0.0941176 0.0941176), wk = 0.0026596 k( 188) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0026596 k( 189) = ( 0.1058824 0.1058823 0.1058823), wk = 0.0026596 k( 190) = ( 0.1117647 0.1117647 0.1117647), wk = 0.0026596 k( 191) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0026596 k( 192) = ( 0.1235294 0.1235294 0.1235294), wk = 0.0026596 k( 193) = ( 0.1294118 0.1294118 0.1294118), wk = 0.0026596 k( 194) = ( 0.1352941 0.1352941 0.1352941), wk = 0.0026596 k( 195) = ( 0.1411765 0.1411765 0.1411765), wk = 0.0026596 k( 196) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0026596 k( 197) = ( 0.1529412 0.1529412 0.1529412), wk = 0.0026596 k( 198) = ( 0.1588235 0.1588235 0.1588235), wk = 0.0026596 k( 199) = ( 0.1647059 0.1647059 0.1647059), wk = 0.0026596 k( 200) = ( 0.1705882 0.1705882 0.1705882), wk = 0.0026596 k( 201) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0026596 k( 202) = ( 0.1823529 0.1823529 0.1823529), wk = 0.0026596 k( 203) = ( 0.1882353 0.1882353 0.1882353), wk = 0.0026596 k( 204) = ( 0.1941177 0.1941176 0.1941176), wk = 0.0026596 k( 205) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0026596 k( 206) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0026596 k( 207) = ( 0.2117647 0.2117647 0.2117647), wk = 0.0026596 k( 208) = ( 0.2176471 0.2176471 0.2176471), wk = 0.0026596 k( 209) = ( 0.2235294 0.2235294 0.2235294), wk = 0.0026596 k( 210) = ( 0.2294118 0.2294118 0.2294118), wk = 0.0026596 k( 211) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0026596 k( 212) = ( 0.2411765 0.2411765 0.2411765), wk = 0.0026596 k( 213) = ( 0.2470588 0.2470588 0.2470588), wk = 0.0026596 k( 214) = ( 0.2529412 0.2529412 0.2529412), wk = 0.0026596 k( 215) = ( 0.2588235 0.2588235 0.2588235), wk = 0.0026596 k( 216) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0026596 k( 217) = ( 0.2705882 0.2705882 0.2705882), wk = 0.0026596 k( 218) = ( 0.2764706 0.2764706 0.2764706), wk = 0.0026596 k( 219) = ( 0.2823529 0.2823529 0.2823529), wk = 0.0026596 k( 220) = ( 0.2882353 0.2882353 0.2882353), wk = 0.0026596 k( 221) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0026596 k( 222) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0026596 k( 223) = ( 0.3058824 0.3058823 0.3058823), wk = 0.0026596 k( 224) = ( 0.3117647 0.3117647 0.3117647), wk = 0.0026596 k( 225) = ( 0.3176471 0.3176471 0.3176471), wk = 0.0026596 k( 226) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0026596 k( 227) = ( 0.3294118 0.3294118 0.3294118), wk = 0.0026596 k( 228) = ( 0.3352941 0.3352941 0.3352941), wk = 0.0026596 k( 229) = ( 0.3411765 0.3411765 0.3411765), wk = 0.0026596 k( 230) = ( 0.3470588 0.3470588 0.3470588), wk = 0.0026596 k( 231) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0026596 k( 232) = ( 0.3588235 0.3588235 0.3588235), wk = 0.0026596 k( 233) = ( 0.3647059 0.3647059 0.3647059), wk = 0.0026596 k( 234) = ( 0.3705882 0.3705882 0.3705882), wk = 0.0026596 k( 235) = ( 0.3764706 0.3764706 0.3764706), wk = 0.0026596 k( 236) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0026596 k( 237) = ( 0.3882353 0.3882353 0.3882353), wk = 0.0026596 k( 238) = ( 0.3941176 0.3941176 0.3941176), wk = 0.0026596 k( 239) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0026596 k( 240) = ( 0.4058824 0.4058823 0.4058823), wk = 0.0026596 k( 241) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0026596 k( 242) = ( 0.4176471 0.4176471 0.4176471), wk = 0.0026596 k( 243) = ( 0.4235294 0.4235294 0.4235294), wk = 0.0026596 k( 244) = ( 0.4294118 0.4294118 0.4294118), wk = 0.0026596 k( 245) = ( 0.4352941 0.4352941 0.4352941), wk = 0.0026596 k( 246) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0026596 k( 247) = ( 0.4470588 0.4470588 0.4470588), wk = 0.0026596 k( 248) = ( 0.4529412 0.4529412 0.4529412), wk = 0.0026596 k( 249) = ( 0.4588235 0.4588235 0.4588235), wk = 0.0026596 k( 250) = ( 0.4647059 0.4647059 0.4647059), wk = 0.0026596 k( 251) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0026596 k( 252) = ( 0.4764706 0.4764706 0.4764706), wk = 0.0026596 k( 253) = ( 0.4823529 0.4823529 0.4823529), wk = 0.0026596 k( 254) = ( 0.4882353 0.4882353 0.4882353), wk = 0.0026596 k( 255) = ( 0.4941177 0.4941176 0.4941176), wk = 0.0026596 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 258) = ( 0.4927536 0.5000000 0.4927536), wk = 0.0026596 k( 259) = ( 0.4855073 0.5000000 0.4855072), wk = 0.0026596 k( 260) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0026596 k( 261) = ( 0.4710145 0.5000000 0.4710145), wk = 0.0026596 k( 262) = ( 0.4637681 0.5000000 0.4637681), wk = 0.0026596 k( 263) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0026596 k( 264) = ( 0.4492754 0.5000000 0.4492754), wk = 0.0026596 k( 265) = ( 0.4420290 0.5000000 0.4420290), wk = 0.0026596 k( 266) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0026596 k( 267) = ( 0.4275362 0.5000000 0.4275362), wk = 0.0026596 k( 268) = ( 0.4202899 0.5000000 0.4202899), wk = 0.0026596 k( 269) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0026596 k( 270) = ( 0.4057971 0.5000000 0.4057971), wk = 0.0026596 k( 271) = ( 0.3985507 0.5000000 0.3985507), wk = 0.0026596 k( 272) = ( 0.3913044 0.5000000 0.3913043), wk = 0.0026596 k( 273) = ( 0.3840580 0.5000000 0.3840580), wk = 0.0026596 k( 274) = ( 0.3768116 0.5000000 0.3768116), wk = 0.0026596 k( 275) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0026596 k( 276) = ( 0.3623188 0.5000000 0.3623188), wk = 0.0026596 k( 277) = ( 0.3550725 0.5000000 0.3550725), wk = 0.0026596 k( 278) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0026596 k( 279) = ( 0.3405797 0.5000000 0.3405797), wk = 0.0026596 k( 280) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0026596 k( 281) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0026596 k( 282) = ( 0.3188406 0.5000000 0.3188406), wk = 0.0026596 k( 283) = ( 0.3115942 0.5000000 0.3115942), wk = 0.0026596 k( 284) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0026596 k( 285) = ( 0.2971014 0.5000000 0.2971014), wk = 0.0026596 k( 286) = ( 0.2898551 0.5000000 0.2898551), wk = 0.0026596 k( 287) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0026596 k( 288) = ( 0.2753623 0.5000000 0.2753623), wk = 0.0026596 k( 289) = ( 0.2681159 0.5000000 0.2681159), wk = 0.0026596 k( 290) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0026596 k( 291) = ( 0.2536232 0.5000000 0.2536232), wk = 0.0026596 k( 292) = ( 0.2463768 0.5000000 0.2463768), wk = 0.0026596 k( 293) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0026596 k( 294) = ( 0.2318841 0.5000000 0.2318841), wk = 0.0026596 k( 295) = ( 0.2246377 0.5000000 0.2246377), wk = 0.0026596 k( 296) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0026596 k( 297) = ( 0.2101449 0.5000000 0.2101449), wk = 0.0026596 k( 298) = ( 0.2028986 0.5000000 0.2028985), wk = 0.0026596 k( 299) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0026596 k( 300) = ( 0.1884058 0.5000000 0.1884058), wk = 0.0026596 k( 301) = ( 0.1811594 0.5000000 0.1811594), wk = 0.0026596 k( 302) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0026596 k( 303) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0026596 k( 304) = ( 0.1594203 0.5000000 0.1594203), wk = 0.0026596 k( 305) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0026596 k( 306) = ( 0.1449275 0.5000000 0.1449275), wk = 0.0026596 k( 307) = ( 0.1376812 0.5000000 0.1376812), wk = 0.0026596 k( 308) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0026596 k( 309) = ( 0.1231884 0.5000000 0.1231884), wk = 0.0026596 k( 310) = ( 0.1159420 0.5000000 0.1159420), wk = 0.0026596 k( 311) = ( 0.1086957 0.5000000 0.1086956), wk = 0.0026596 k( 312) = ( 0.1014493 0.5000000 0.1014493), wk = 0.0026596 k( 313) = ( 0.0942029 0.5000000 0.0942029), wk = 0.0026596 k( 314) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0026596 k( 315) = ( 0.0797101 0.5000000 0.0797101), wk = 0.0026596 k( 316) = ( 0.0724638 0.5000000 0.0724638), wk = 0.0026596 k( 317) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0026596 k( 318) = ( 0.0579710 0.5000000 0.0579710), wk = 0.0026596 k( 319) = ( 0.0507246 0.5000000 0.0507246), wk = 0.0026596 k( 320) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0026596 k( 321) = ( 0.0362319 0.5000000 0.0362319), wk = 0.0026596 k( 322) = ( 0.0289855 0.5000000 0.0289855), wk = 0.0026596 k( 323) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0026596 k( 324) = ( 0.0144928 0.5000000 0.0144927), wk = 0.0026596 k( 325) = ( 0.0072464 0.5000000 0.0072464), wk = 0.0026596 k( 326) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026596 k( 327) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026596 k( 328) = ( 0.5000000 0.5000000 0.0102041), wk = 0.0026596 k( 329) = ( 0.5000000 0.5000000 0.0204082), wk = 0.0026596 k( 330) = ( 0.5000000 0.5000000 0.0306122), wk = 0.0026596 k( 331) = ( 0.5000000 0.5000000 0.0408163), wk = 0.0026596 k( 332) = ( 0.5000000 0.5000000 0.0510204), wk = 0.0026596 k( 333) = ( 0.5000000 0.5000000 0.0612245), wk = 0.0026596 k( 334) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0026596 k( 335) = ( 0.5000000 0.5000000 0.0816326), wk = 0.0026596 k( 336) = ( 0.5000000 0.5000000 0.0918367), wk = 0.0026596 k( 337) = ( 0.5000000 0.5000000 0.1020408), wk = 0.0026596 k( 338) = ( 0.5000000 0.5000000 0.1122449), wk = 0.0026596 k( 339) = ( 0.5000000 0.5000000 0.1224490), wk = 0.0026596 k( 340) = ( 0.5000000 0.5000000 0.1326531), wk = 0.0026596 k( 341) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0026596 k( 342) = ( 0.5000000 0.5000000 0.1530612), wk = 0.0026596 k( 343) = ( 0.5000000 0.5000000 0.1632653), wk = 0.0026596 k( 344) = ( 0.5000000 0.5000000 0.1734694), wk = 0.0026596 k( 345) = ( 0.5000000 0.5000000 0.1836735), wk = 0.0026596 k( 346) = ( 0.5000000 0.5000000 0.1938775), wk = 0.0026596 k( 347) = ( 0.5000000 0.5000000 0.2040816), wk = 0.0026596 k( 348) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0026596 k( 349) = ( 0.5000000 0.5000000 0.2244898), wk = 0.0026596 k( 350) = ( 0.5000000 0.5000000 0.2346939), wk = 0.0026596 k( 351) = ( 0.5000000 0.5000000 0.2448980), wk = 0.0026596 k( 352) = ( 0.5000000 0.5000000 0.2551020), wk = 0.0026596 k( 353) = ( 0.5000000 0.5000000 0.2653061), wk = 0.0026596 k( 354) = ( 0.5000000 0.5000000 0.2755102), wk = 0.0026596 k( 355) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0026596 k( 356) = ( 0.5000000 0.5000000 0.2959184), wk = 0.0026596 k( 357) = ( 0.5000000 0.5000000 0.3061224), wk = 0.0026596 k( 358) = ( 0.5000000 0.5000000 0.3163265), wk = 0.0026596 k( 359) = ( 0.5000000 0.5000000 0.3265306), wk = 0.0026596 k( 360) = ( 0.5000000 0.5000000 0.3367347), wk = 0.0026596 k( 361) = ( 0.5000000 0.5000000 0.3469388), wk = 0.0026596 k( 362) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0026596 k( 363) = ( 0.5000000 0.5000000 0.3673469), wk = 0.0026596 k( 364) = ( 0.5000000 0.5000000 0.3775510), wk = 0.0026596 k( 365) = ( 0.5000000 0.5000000 0.3877551), wk = 0.0026596 k( 366) = ( 0.5000000 0.5000000 0.3979592), wk = 0.0026596 k( 367) = ( 0.5000000 0.5000000 0.4081633), wk = 0.0026596 k( 368) = ( 0.5000000 0.5000000 0.4183673), wk = 0.0026596 k( 369) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0026596 k( 370) = ( 0.5000000 0.5000000 0.4387755), wk = 0.0026596 k( 371) = ( 0.5000000 0.5000000 0.4489796), wk = 0.0026596 k( 372) = ( 0.5000000 0.5000000 0.4591837), wk = 0.0026596 k( 373) = ( 0.5000000 0.5000000 0.4693878), wk = 0.0026596 k( 374) = ( 0.5000000 0.5000000 0.4795918), wk = 0.0026596 k( 375) = ( 0.5000000 0.5000000 0.4897959), wk = 0.0026596 k( 376) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0000000 0.0102041 0.0000000), wk = 0.0026596 k( 3) = ( 0.0000000 0.0204082 0.0000000), wk = 0.0026596 k( 4) = ( 0.0000000 0.0306122 0.0000000), wk = 0.0026596 k( 5) = ( 0.0000000 0.0408163 0.0000000), wk = 0.0026596 k( 6) = ( 0.0000000 0.0510204 0.0000000), wk = 0.0026596 k( 7) = ( 0.0000000 0.0612245 0.0000000), wk = 0.0026596 k( 8) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0026596 k( 9) = ( 0.0000000 0.0816327 0.0000000), wk = 0.0026596 k( 10) = ( 0.0000000 0.0918367 0.0000000), wk = 0.0026596 k( 11) = ( 0.0000000 0.1020408 0.0000000), wk = 0.0026596 k( 12) = ( 0.0000000 0.1122449 0.0000000), wk = 0.0026596 k( 13) = ( 0.0000000 0.1224490 0.0000000), wk = 0.0026596 k( 14) = ( 0.0000000 0.1326531 0.0000000), wk = 0.0026596 k( 15) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0026596 k( 16) = ( 0.0000000 0.1530612 0.0000000), wk = 0.0026596 k( 17) = ( 0.0000000 0.1632653 0.0000000), wk = 0.0026596 k( 18) = ( 0.0000000 0.1734694 0.0000000), wk = 0.0026596 k( 19) = ( 0.0000000 0.1836735 0.0000000), wk = 0.0026596 k( 20) = ( 0.0000000 0.1938776 0.0000000), wk = 0.0026596 k( 21) = ( 0.0000000 0.2040816 0.0000000), wk = 0.0026596 k( 22) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0026596 k( 23) = ( 0.0000000 0.2244898 0.0000000), wk = 0.0026596 k( 24) = ( 0.0000000 0.2346939 0.0000000), wk = 0.0026596 k( 25) = ( 0.0000000 0.2448980 0.0000000), wk = 0.0026596 k( 26) = ( 0.0000000 0.2551020 0.0000000), wk = 0.0026596 k( 27) = ( 0.0000000 0.2653061 0.0000000), wk = 0.0026596 k( 28) = ( 0.0000000 0.2755102 0.0000000), wk = 0.0026596 k( 29) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0026596 k( 30) = ( 0.0000000 0.2959184 0.0000000), wk = 0.0026596 k( 31) = ( 0.0000000 0.3061224 0.0000000), wk = 0.0026596 k( 32) = ( 0.0000000 0.3163265 0.0000000), wk = 0.0026596 k( 33) = ( 0.0000000 0.3265306 0.0000000), wk = 0.0026596 k( 34) = ( 0.0000000 0.3367347 0.0000000), wk = 0.0026596 k( 35) = ( 0.0000000 0.3469388 0.0000000), wk = 0.0026596 k( 36) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0026596 k( 37) = ( 0.0000000 0.3673469 0.0000000), wk = 0.0026596 k( 38) = ( 0.0000000 0.3775510 0.0000000), wk = 0.0026596 k( 39) = ( 0.0000000 0.3877551 0.0000000), wk = 0.0026596 k( 40) = ( 0.0000000 0.3979592 0.0000000), wk = 0.0026596 k( 41) = ( 0.0000000 0.4081633 0.0000000), wk = 0.0026596 k( 42) = ( 0.0000000 0.4183674 0.0000000), wk = 0.0026596 k( 43) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0026596 k( 44) = ( 0.0000000 0.4387755 0.0000000), wk = 0.0026596 k( 45) = ( 0.0000000 0.4489796 0.0000000), wk = 0.0026596 k( 46) = ( 0.0000000 0.4591837 0.0000000), wk = 0.0026596 k( 47) = ( 0.0000000 0.4693878 0.0000000), wk = 0.0026596 k( 48) = ( 0.0000000 0.4795918 0.0000000), wk = 0.0026596 k( 49) = ( 0.0000000 0.4897959 0.0000000), wk = 0.0026596 k( 50) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026596 k( 51) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026596 k( 52) = ( 0.0102041 0.5000000 0.0000000), wk = 0.0026596 k( 53) = ( 0.0204082 0.5000000 0.0000000), wk = 0.0026596 k( 54) = ( 0.0306122 0.5000000 0.0000000), wk = 0.0026596 k( 55) = ( 0.0408163 0.5000000 0.0000000), wk = 0.0026596 k( 56) = ( 0.0510204 0.5000000 0.0000000), wk = 0.0026596 k( 57) = ( 0.0612245 0.5000000 0.0000000), wk = 0.0026596 k( 58) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0026596 k( 59) = ( 0.0816327 0.5000000 0.0000000), wk = 0.0026596 k( 60) = ( 0.0918367 0.5000000 0.0000000), wk = 0.0026596 k( 61) = ( 0.1020408 0.5000000 0.0000000), wk = 0.0026596 k( 62) = ( 0.1122449 0.5000000 0.0000000), wk = 0.0026596 k( 63) = ( 0.1224490 0.5000000 0.0000000), wk = 0.0026596 k( 64) = ( 0.1326531 0.5000000 0.0000000), wk = 0.0026596 k( 65) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0026596 k( 66) = ( 0.1530612 0.5000000 0.0000000), wk = 0.0026596 k( 67) = ( 0.1632653 0.5000000 0.0000000), wk = 0.0026596 k( 68) = ( 0.1734694 0.5000000 0.0000000), wk = 0.0026596 k( 69) = ( 0.1836735 0.5000000 0.0000000), wk = 0.0026596 k( 70) = ( 0.1938776 0.5000000 0.0000000), wk = 0.0026596 k( 71) = ( 0.2040816 0.5000000 0.0000000), wk = 0.0026596 k( 72) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0026596 k( 73) = ( 0.2244898 0.5000000 0.0000000), wk = 0.0026596 k( 74) = ( 0.2346939 0.5000000 0.0000000), wk = 0.0026596 k( 75) = ( 0.2448980 0.5000000 0.0000000), wk = 0.0026596 k( 76) = ( 0.2551020 0.5000000 0.0000000), wk = 0.0026596 k( 77) = ( 0.2653061 0.5000000 0.0000000), wk = 0.0026596 k( 78) = ( 0.2755102 0.5000000 0.0000000), wk = 0.0026596 k( 79) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0026596 k( 80) = ( 0.2959184 0.5000000 0.0000000), wk = 0.0026596 k( 81) = ( 0.3061224 0.5000000 0.0000000), wk = 0.0026596 k( 82) = ( 0.3163265 0.5000000 0.0000000), wk = 0.0026596 k( 83) = ( 0.3265306 0.5000000 0.0000000), wk = 0.0026596 k( 84) = ( 0.3367347 0.5000000 0.0000000), wk = 0.0026596 k( 85) = ( 0.3469388 0.5000000 0.0000000), wk = 0.0026596 k( 86) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0026596 k( 87) = ( 0.3673469 0.5000000 0.0000000), wk = 0.0026596 k( 88) = ( 0.3775510 0.5000000 0.0000000), wk = 0.0026596 k( 89) = ( 0.3877551 0.5000000 0.0000000), wk = 0.0026596 k( 90) = ( 0.3979592 0.5000000 0.0000000), wk = 0.0026596 k( 91) = ( 0.4081633 0.5000000 0.0000000), wk = 0.0026596 k( 92) = ( 0.4183674 0.5000000 0.0000000), wk = 0.0026596 k( 93) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0026596 k( 94) = ( 0.4387755 0.5000000 0.0000000), wk = 0.0026596 k( 95) = ( 0.4489796 0.5000000 0.0000000), wk = 0.0026596 k( 96) = ( 0.4591837 0.5000000 0.0000000), wk = 0.0026596 k( 97) = ( 0.4693878 0.5000000 0.0000000), wk = 0.0026596 k( 98) = ( 0.4795918 0.5000000 0.0000000), wk = 0.0026596 k( 99) = ( 0.4897959 0.5000000 0.0000000), wk = 0.0026596 k( 100) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 101) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 102) = ( 0.4927536 0.4927536 0.0000000), wk = 0.0026596 k( 103) = ( 0.4855073 0.4855073 0.0000000), wk = 0.0026596 k( 104) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0026596 k( 105) = ( 0.4710145 0.4710145 -0.0000000), wk = 0.0026596 k( 106) = ( 0.4637681 0.4637681 0.0000000), wk = 0.0026596 k( 107) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0026596 k( 108) = ( 0.4492754 0.4492754 0.0000000), wk = 0.0026596 k( 109) = ( 0.4420290 0.4420290 0.0000000), wk = 0.0026596 k( 110) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0026596 k( 111) = ( 0.4275362 0.4275362 0.0000000), wk = 0.0026596 k( 112) = ( 0.4202899 0.4202899 0.0000000), wk = 0.0026596 k( 113) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0026596 k( 114) = ( 0.4057971 0.4057971 0.0000000), wk = 0.0026596 k( 115) = ( 0.3985507 0.3985507 0.0000000), wk = 0.0026596 k( 116) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0026596 k( 117) = ( 0.3840580 0.3840580 0.0000000), wk = 0.0026596 k( 118) = ( 0.3768116 0.3768116 0.0000000), wk = 0.0026596 k( 119) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0026596 k( 120) = ( 0.3623188 0.3623188 0.0000000), wk = 0.0026596 k( 121) = ( 0.3550725 0.3550725 0.0000000), wk = 0.0026596 k( 122) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0026596 k( 123) = ( 0.3405797 0.3405797 0.0000000), wk = 0.0026596 k( 124) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026596 k( 125) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0026596 k( 126) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0026596 k( 127) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0026596 k( 128) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0026596 k( 129) = ( 0.2971014 0.2971014 0.0000000), wk = 0.0026596 k( 130) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0026596 k( 131) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0026596 k( 132) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0026596 k( 133) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0026596 k( 134) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0026596 k( 135) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0026596 k( 136) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0026596 k( 137) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0026596 k( 138) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0026596 k( 139) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0026596 k( 140) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0026596 k( 141) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0026596 k( 142) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0026596 k( 143) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0026596 k( 144) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0026596 k( 145) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0026596 k( 146) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0026596 k( 147) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026596 k( 148) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0026596 k( 149) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0026596 k( 150) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0026596 k( 151) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0026596 k( 152) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0026596 k( 153) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0026596 k( 154) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0026596 k( 155) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0026596 k( 156) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0026596 k( 157) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0026596 k( 158) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0026596 k( 159) = ( 0.0797101 0.0797101 0.0000000), wk = 0.0026596 k( 160) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0026596 k( 161) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0026596 k( 162) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0026596 k( 163) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0026596 k( 164) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0026596 k( 165) = ( 0.0362319 0.0362319 -0.0000000), wk = 0.0026596 k( 166) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0026596 k( 167) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0026596 k( 168) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0026596 k( 169) = ( 0.0072464 0.0072464 -0.0000000), wk = 0.0026596 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 172) = ( 0.0058823 0.0058823 0.0058823), wk = 0.0026596 k( 173) = ( 0.0117647 0.0117647 0.0117647), wk = 0.0026596 k( 174) = ( 0.0176471 0.0176471 0.0176471), wk = 0.0026596 k( 175) = ( 0.0235294 0.0235294 0.0235294), wk = 0.0026596 k( 176) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0026596 k( 177) = ( 0.0352941 0.0352941 0.0352941), wk = 0.0026596 k( 178) = ( 0.0411765 0.0411765 0.0411765), wk = 0.0026596 k( 179) = ( 0.0470588 0.0470588 0.0470588), wk = 0.0026596 k( 180) = ( 0.0529412 0.0529412 0.0529412), wk = 0.0026596 k( 181) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0026596 k( 182) = ( 0.0647059 0.0647059 0.0647059), wk = 0.0026596 k( 183) = ( 0.0705882 0.0705882 0.0705882), wk = 0.0026596 k( 184) = ( 0.0764706 0.0764706 0.0764706), wk = 0.0026596 k( 185) = ( 0.0823529 0.0823529 0.0823529), wk = 0.0026596 k( 186) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0026596 k( 187) = ( 0.0941176 0.0941176 0.0941176), wk = 0.0026596 k( 188) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0026596 k( 189) = ( 0.1058824 0.1058824 0.1058824), wk = 0.0026596 k( 190) = ( 0.1117647 0.1117647 0.1117647), wk = 0.0026596 k( 191) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0026596 k( 192) = ( 0.1235294 0.1235294 0.1235294), wk = 0.0026596 k( 193) = ( 0.1294118 0.1294118 0.1294118), wk = 0.0026596 k( 194) = ( 0.1352941 0.1352941 0.1352941), wk = 0.0026596 k( 195) = ( 0.1411765 0.1411765 0.1411765), wk = 0.0026596 k( 196) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0026596 k( 197) = ( 0.1529412 0.1529412 0.1529412), wk = 0.0026596 k( 198) = ( 0.1588235 0.1588235 0.1588235), wk = 0.0026596 k( 199) = ( 0.1647059 0.1647059 0.1647059), wk = 0.0026596 k( 200) = ( 0.1705882 0.1705882 0.1705882), wk = 0.0026596 k( 201) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0026596 k( 202) = ( 0.1823529 0.1823529 0.1823529), wk = 0.0026596 k( 203) = ( 0.1882353 0.1882353 0.1882353), wk = 0.0026596 k( 204) = ( 0.1941177 0.1941177 0.1941177), wk = 0.0026596 k( 205) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0026596 k( 206) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0026596 k( 207) = ( 0.2117647 0.2117647 0.2117647), wk = 0.0026596 k( 208) = ( 0.2176471 0.2176471 0.2176471), wk = 0.0026596 k( 209) = ( 0.2235294 0.2235294 0.2235294), wk = 0.0026596 k( 210) = ( 0.2294118 0.2294118 0.2294118), wk = 0.0026596 k( 211) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0026596 k( 212) = ( 0.2411765 0.2411765 0.2411765), wk = 0.0026596 k( 213) = ( 0.2470588 0.2470588 0.2470588), wk = 0.0026596 k( 214) = ( 0.2529412 0.2529412 0.2529412), wk = 0.0026596 k( 215) = ( 0.2588235 0.2588235 0.2588235), wk = 0.0026596 k( 216) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0026596 k( 217) = ( 0.2705882 0.2705882 0.2705882), wk = 0.0026596 k( 218) = ( 0.2764706 0.2764706 0.2764706), wk = 0.0026596 k( 219) = ( 0.2823529 0.2823529 0.2823529), wk = 0.0026596 k( 220) = ( 0.2882353 0.2882353 0.2882353), wk = 0.0026596 k( 221) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0026596 k( 222) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0026596 k( 223) = ( 0.3058824 0.3058824 0.3058824), wk = 0.0026596 k( 224) = ( 0.3117647 0.3117647 0.3117647), wk = 0.0026596 k( 225) = ( 0.3176471 0.3176471 0.3176471), wk = 0.0026596 k( 226) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0026596 k( 227) = ( 0.3294118 0.3294118 0.3294118), wk = 0.0026596 k( 228) = ( 0.3352941 0.3352941 0.3352941), wk = 0.0026596 k( 229) = ( 0.3411765 0.3411765 0.3411765), wk = 0.0026596 k( 230) = ( 0.3470588 0.3470588 0.3470588), wk = 0.0026596 k( 231) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0026596 k( 232) = ( 0.3588235 0.3588235 0.3588235), wk = 0.0026596 k( 233) = ( 0.3647059 0.3647059 0.3647059), wk = 0.0026596 k( 234) = ( 0.3705882 0.3705882 0.3705882), wk = 0.0026596 k( 235) = ( 0.3764706 0.3764706 0.3764706), wk = 0.0026596 k( 236) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0026596 k( 237) = ( 0.3882353 0.3882353 0.3882353), wk = 0.0026596 k( 238) = ( 0.3941176 0.3941176 0.3941176), wk = 0.0026596 k( 239) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0026596 k( 240) = ( 0.4058824 0.4058824 0.4058824), wk = 0.0026596 k( 241) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0026596 k( 242) = ( 0.4176471 0.4176471 0.4176471), wk = 0.0026596 k( 243) = ( 0.4235294 0.4235294 0.4235294), wk = 0.0026596 k( 244) = ( 0.4294118 0.4294118 0.4294118), wk = 0.0026596 k( 245) = ( 0.4352941 0.4352941 0.4352941), wk = 0.0026596 k( 246) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0026596 k( 247) = ( 0.4470588 0.4470588 0.4470588), wk = 0.0026596 k( 248) = ( 0.4529412 0.4529412 0.4529412), wk = 0.0026596 k( 249) = ( 0.4588235 0.4588235 0.4588235), wk = 0.0026596 k( 250) = ( 0.4647059 0.4647059 0.4647059), wk = 0.0026596 k( 251) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0026596 k( 252) = ( 0.4764706 0.4764706 0.4764706), wk = 0.0026596 k( 253) = ( 0.4823529 0.4823529 0.4823529), wk = 0.0026596 k( 254) = ( 0.4882353 0.4882353 0.4882353), wk = 0.0026596 k( 255) = ( 0.4941177 0.4941177 0.4941177), wk = 0.0026596 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 258) = ( 0.4927536 0.5000000 0.4927536), wk = 0.0026596 k( 259) = ( 0.4855073 0.5000000 0.4855073), wk = 0.0026596 k( 260) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0026596 k( 261) = ( 0.4710145 0.5000000 0.4710145), wk = 0.0026596 k( 262) = ( 0.4637681 0.5000000 0.4637681), wk = 0.0026596 k( 263) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0026596 k( 264) = ( 0.4492754 0.5000000 0.4492754), wk = 0.0026596 k( 265) = ( 0.4420290 0.5000000 0.4420290), wk = 0.0026596 k( 266) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0026596 k( 267) = ( 0.4275362 0.5000000 0.4275362), wk = 0.0026596 k( 268) = ( 0.4202899 0.5000000 0.4202899), wk = 0.0026596 k( 269) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0026596 k( 270) = ( 0.4057971 0.5000000 0.4057971), wk = 0.0026596 k( 271) = ( 0.3985507 0.5000000 0.3985507), wk = 0.0026596 k( 272) = ( 0.3913044 0.5000000 0.3913044), wk = 0.0026596 k( 273) = ( 0.3840580 0.5000000 0.3840580), wk = 0.0026596 k( 274) = ( 0.3768116 0.5000000 0.3768116), wk = 0.0026596 k( 275) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0026596 k( 276) = ( 0.3623188 0.5000000 0.3623188), wk = 0.0026596 k( 277) = ( 0.3550725 0.5000000 0.3550725), wk = 0.0026596 k( 278) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0026596 k( 279) = ( 0.3405797 0.5000000 0.3405797), wk = 0.0026596 k( 280) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0026596 k( 281) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0026596 k( 282) = ( 0.3188406 0.5000000 0.3188406), wk = 0.0026596 k( 283) = ( 0.3115942 0.5000000 0.3115942), wk = 0.0026596 k( 284) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0026596 k( 285) = ( 0.2971014 0.5000000 0.2971014), wk = 0.0026596 k( 286) = ( 0.2898551 0.5000000 0.2898551), wk = 0.0026596 k( 287) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0026596 k( 288) = ( 0.2753623 0.5000000 0.2753623), wk = 0.0026596 k( 289) = ( 0.2681159 0.5000000 0.2681159), wk = 0.0026596 k( 290) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0026596 k( 291) = ( 0.2536232 0.5000000 0.2536232), wk = 0.0026596 k( 292) = ( 0.2463768 0.5000000 0.2463768), wk = 0.0026596 k( 293) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0026596 k( 294) = ( 0.2318841 0.5000000 0.2318841), wk = 0.0026596 k( 295) = ( 0.2246377 0.5000000 0.2246377), wk = 0.0026596 k( 296) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0026596 k( 297) = ( 0.2101449 0.5000000 0.2101449), wk = 0.0026596 k( 298) = ( 0.2028986 0.5000000 0.2028986), wk = 0.0026596 k( 299) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0026596 k( 300) = ( 0.1884058 0.5000000 0.1884058), wk = 0.0026596 k( 301) = ( 0.1811594 0.5000000 0.1811594), wk = 0.0026596 k( 302) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0026596 k( 303) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0026596 k( 304) = ( 0.1594203 0.5000000 0.1594203), wk = 0.0026596 k( 305) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0026596 k( 306) = ( 0.1449275 0.5000000 0.1449275), wk = 0.0026596 k( 307) = ( 0.1376812 0.5000000 0.1376812), wk = 0.0026596 k( 308) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0026596 k( 309) = ( 0.1231884 0.5000000 0.1231884), wk = 0.0026596 k( 310) = ( 0.1159420 0.5000000 0.1159420), wk = 0.0026596 k( 311) = ( 0.1086957 0.5000000 0.1086957), wk = 0.0026596 k( 312) = ( 0.1014493 0.5000000 0.1014493), wk = 0.0026596 k( 313) = ( 0.0942029 0.5000000 0.0942029), wk = 0.0026596 k( 314) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0026596 k( 315) = ( 0.0797101 0.5000000 0.0797101), wk = 0.0026596 k( 316) = ( 0.0724638 0.5000000 0.0724638), wk = 0.0026596 k( 317) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0026596 k( 318) = ( 0.0579710 0.5000000 0.0579710), wk = 0.0026596 k( 319) = ( 0.0507246 0.5000000 0.0507246), wk = 0.0026596 k( 320) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0026596 k( 321) = ( 0.0362319 0.5000000 0.0362319), wk = 0.0026596 k( 322) = ( 0.0289855 0.5000000 0.0289855), wk = 0.0026596 k( 323) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0026596 k( 324) = ( 0.0144928 0.5000000 0.0144928), wk = 0.0026596 k( 325) = ( 0.0072464 0.5000000 0.0072464), wk = 0.0026596 k( 326) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026596 k( 327) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 328) = ( 0.5000000 0.5000000 0.0102041), wk = 0.0026596 k( 329) = ( 0.5000000 0.5000000 0.0204082), wk = 0.0026596 k( 330) = ( 0.5000000 0.5000000 0.0306122), wk = 0.0026596 k( 331) = ( 0.5000000 0.5000000 0.0408163), wk = 0.0026596 k( 332) = ( 0.5000000 0.5000000 0.0510204), wk = 0.0026596 k( 333) = ( 0.5000000 0.5000000 0.0612245), wk = 0.0026596 k( 334) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0026596 k( 335) = ( 0.5000000 0.5000000 0.0816327), wk = 0.0026596 k( 336) = ( 0.5000000 0.5000000 0.0918367), wk = 0.0026596 k( 337) = ( 0.5000000 0.5000000 0.1020408), wk = 0.0026596 k( 338) = ( 0.5000000 0.5000000 0.1122449), wk = 0.0026596 k( 339) = ( 0.5000000 0.5000000 0.1224490), wk = 0.0026596 k( 340) = ( 0.5000000 0.5000000 0.1326531), wk = 0.0026596 k( 341) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0026596 k( 342) = ( 0.5000000 0.5000000 0.1530612), wk = 0.0026596 k( 343) = ( 0.5000000 0.5000000 0.1632653), wk = 0.0026596 k( 344) = ( 0.5000000 0.5000000 0.1734694), wk = 0.0026596 k( 345) = ( 0.5000000 0.5000000 0.1836735), wk = 0.0026596 k( 346) = ( 0.5000000 0.5000000 0.1938776), wk = 0.0026596 k( 347) = ( 0.5000000 0.5000000 0.2040816), wk = 0.0026596 k( 348) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0026596 k( 349) = ( 0.5000000 0.5000000 0.2244898), wk = 0.0026596 k( 350) = ( 0.5000000 0.5000000 0.2346939), wk = 0.0026596 k( 351) = ( 0.5000000 0.5000000 0.2448980), wk = 0.0026596 k( 352) = ( 0.5000000 0.5000000 0.2551020), wk = 0.0026596 k( 353) = ( 0.5000000 0.5000000 0.2653061), wk = 0.0026596 k( 354) = ( 0.5000000 0.5000000 0.2755102), wk = 0.0026596 k( 355) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0026596 k( 356) = ( 0.5000000 0.5000000 0.2959184), wk = 0.0026596 k( 357) = ( 0.5000000 0.5000000 0.3061224), wk = 0.0026596 k( 358) = ( 0.5000000 0.5000000 0.3163265), wk = 0.0026596 k( 359) = ( 0.5000000 0.5000000 0.3265306), wk = 0.0026596 k( 360) = ( 0.5000000 0.5000000 0.3367347), wk = 0.0026596 k( 361) = ( 0.5000000 0.5000000 0.3469388), wk = 0.0026596 k( 362) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0026596 k( 363) = ( 0.5000000 0.5000000 0.3673469), wk = 0.0026596 k( 364) = ( 0.5000000 0.5000000 0.3775510), wk = 0.0026596 k( 365) = ( 0.5000000 0.5000000 0.3877551), wk = 0.0026596 k( 366) = ( 0.5000000 0.5000000 0.3979592), wk = 0.0026596 k( 367) = ( 0.5000000 0.5000000 0.4081633), wk = 0.0026596 k( 368) = ( 0.5000000 0.5000000 0.4183674), wk = 0.0026596 k( 369) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0026596 k( 370) = ( 0.5000000 0.5000000 0.4387755), wk = 0.0026596 k( 371) = ( 0.5000000 0.5000000 0.4489796), wk = 0.0026596 k( 372) = ( 0.5000000 0.5000000 0.4591837), wk = 0.0026596 k( 373) = ( 0.5000000 0.5000000 0.4693878), wk = 0.0026596 k( 374) = ( 0.5000000 0.5000000 0.4795918), wk = 0.0026596 k( 375) = ( 0.5000000 0.5000000 0.4897959), wk = 0.0026596 k( 376) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 Dense grid: 34505 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 10251 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 88, 30) NL pseudopotentials 0.05 Mb ( 44, 68) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 960) G-vector shells 0.00 Mb ( 249) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.16 Mb ( 88, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) The potential is recalculated from file : ./HfPt.save/charge-density.dat Starting wfc are 38 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.4 secs Computing kpt #: 11 total cpu time spent up to now is 3.5 secs Computing kpt #: 12 total cpu time spent up to now is 3.6 secs Computing kpt #: 13 total cpu time spent up to now is 3.7 secs Computing kpt #: 14 total cpu time spent up to now is 3.9 secs Computing kpt #: 15 total cpu time spent up to now is 4.0 secs Computing kpt #: 16 total cpu time spent up to now is 4.1 secs Computing kpt #: 17 total cpu time spent up to now is 4.2 secs Computing kpt #: 18 total cpu time spent up to now is 4.3 secs Computing kpt #: 19 total cpu time spent up to now is 4.4 secs Computing kpt #: 20 total cpu time spent up to now is 4.6 secs Computing kpt #: 21 total cpu time spent up to now is 4.7 secs Computing kpt #: 22 total cpu time spent up to now is 4.9 secs Computing kpt #: 23 total cpu time spent up to now is 5.0 secs Computing kpt #: 24 total cpu time spent up to now is 5.1 secs Computing kpt #: 25 total cpu time spent up to now is 5.3 secs Computing kpt #: 26 total cpu time spent up to now is 5.4 secs Computing kpt #: 27 total cpu time spent up to now is 5.5 secs Computing kpt #: 28 total cpu time spent up to now is 5.6 secs Computing kpt #: 29 total cpu time spent up to now is 5.7 secs Computing kpt #: 30 total cpu time spent up to now is 5.9 secs Computing kpt #: 31 total cpu time spent up to now is 6.0 secs Computing kpt #: 32 total cpu time spent up to now is 6.1 secs Computing kpt #: 33 total cpu time spent up to now is 6.2 secs Computing kpt #: 34 total cpu time spent up to now is 6.4 secs Computing kpt #: 35 total cpu time spent up to now is 6.5 secs Computing kpt #: 36 total cpu time spent up to now is 6.6 secs Computing kpt #: 37 total cpu time spent up to now is 6.7 secs Computing kpt #: 38 total cpu time spent up to now is 6.8 secs Computing kpt #: 39 total cpu time spent up to now is 7.0 secs Computing kpt #: 40 total cpu time spent up to now is 7.1 secs Computing kpt #: 41 total cpu time spent up to now is 7.2 secs Computing kpt #: 42 total cpu time spent up to now is 7.3 secs Computing kpt #: 43 total cpu time spent up to now is 7.4 secs Computing kpt #: 44 total cpu time spent up to now is 7.5 secs Computing kpt #: 45 total cpu time spent up to now is 7.6 secs Computing kpt #: 46 total cpu time spent up to now is 7.7 secs Computing kpt #: 47 total cpu time spent up to now is 7.8 secs Computing kpt #: 48 total cpu time spent up to now is 7.9 secs Computing kpt #: 49 total cpu time spent up to now is 8.0 secs Computing kpt #: 50 total cpu time spent up to now is 8.1 secs Computing kpt #: 51 total cpu time spent up to now is 8.2 secs Computing kpt #: 52 total cpu time spent up to now is 8.3 secs Computing kpt #: 53 total cpu time spent up to now is 8.4 secs Computing kpt #: 54 total cpu time spent up to now is 8.5 secs Computing kpt #: 55 total cpu time spent up to now is 8.6 secs Computing kpt #: 56 total cpu time spent up to now is 8.7 secs Computing kpt #: 57 total cpu time spent up to now is 8.8 secs Computing kpt #: 58 total cpu time spent up to now is 8.9 secs Computing kpt #: 59 total cpu time spent up to now is 9.0 secs Computing kpt #: 60 total cpu time spent up to now is 9.1 secs Computing kpt #: 61 total cpu time spent up to now is 9.2 secs Computing kpt #: 62 total cpu time spent up to now is 9.3 secs Computing kpt #: 63 total cpu time spent up to now is 9.4 secs Computing kpt #: 64 total cpu time spent up to now is 9.5 secs Computing kpt #: 65 total cpu time spent up to now is 9.6 secs Computing kpt #: 66 total cpu time spent up to now is 9.7 secs Computing kpt #: 67 total cpu time spent up to now is 9.8 secs Computing kpt #: 68 total cpu time spent up to now is 9.9 secs Computing kpt #: 69 total cpu time spent up to now is 10.0 secs Computing kpt #: 70 total cpu time spent up to now is 10.1 secs Computing kpt #: 71 total cpu time spent up to now is 10.2 secs Computing kpt #: 72 total cpu time spent up to now is 10.3 secs Computing kpt #: 73 total cpu time spent up to now is 10.4 secs Computing kpt #: 74 total cpu time spent up to now is 10.6 secs Computing kpt #: 75 total cpu time spent up to now is 10.7 secs Computing kpt #: 76 total cpu time spent up to now is 10.8 secs Computing kpt #: 77 total cpu time spent up to now is 10.9 secs Computing kpt #: 78 total cpu time spent up to now is 11.0 secs Computing kpt #: 79 total cpu time spent up to now is 11.1 secs Computing kpt #: 80 total cpu time spent up to now is 11.2 secs Computing kpt #: 81 total cpu time spent up to now is 11.4 secs Computing kpt #: 82 total cpu time spent up to now is 11.5 secs Computing kpt #: 83 total cpu time spent up to now is 11.6 secs Computing kpt #: 84 total cpu time spent up to now is 11.7 secs Computing kpt #: 85 total cpu time spent up to now is 11.9 secs Computing kpt #: 86 total cpu time spent up to now is 12.0 secs Computing kpt #: 87 total cpu time spent up to now is 12.1 secs Computing kpt #: 88 total cpu time spent up to now is 12.3 secs Computing kpt #: 89 total cpu time spent up to now is 12.4 secs Computing kpt #: 90 total cpu time spent up to now is 12.5 secs Computing kpt #: 91 total cpu time spent up to now is 12.7 secs Computing kpt #: 92 total cpu time spent up to now is 12.8 secs Computing kpt #: 93 total cpu time spent up to now is 12.9 secs Computing kpt #: 94 total cpu time spent up to now is 13.1 secs Computing kpt #: 95 total cpu time spent up to now is 13.2 secs Computing kpt #: 96 total cpu time spent up to now is 13.3 secs Computing kpt #: 97 total cpu time spent up to now is 13.4 secs Computing kpt #: 98 total cpu time spent up to now is 13.6 secs Computing kpt #: 99 total cpu time spent up to now is 13.7 secs Computing kpt #: 100 total cpu time spent up to now is 13.8 secs Computing kpt #: 101 total cpu time spent up to now is 14.0 secs Computing kpt #: 102 total cpu time spent up to now is 14.1 secs Computing kpt #: 103 total cpu time spent up to now is 14.2 secs Computing kpt #: 104 total cpu time spent up to now is 14.3 secs Computing kpt #: 105 total cpu time spent up to now is 14.5 secs Computing kpt #: 106 total cpu time spent up to now is 14.6 secs Computing kpt #: 107 total cpu time spent up to now is 14.7 secs Computing kpt #: 108 total cpu time spent up to now is 14.9 secs Computing kpt #: 109 total cpu time spent up to now is 15.1 secs Computing kpt #: 110 total cpu time spent up to now is 15.2 secs Computing kpt #: 111 total cpu time spent up to now is 15.3 secs Computing kpt #: 112 total cpu time spent up to now is 15.4 secs Computing kpt #: 113 total cpu time spent up to now is 15.6 secs Computing kpt #: 114 total cpu time spent up to now is 15.7 secs Computing kpt #: 115 total cpu time spent up to now is 15.8 secs Computing kpt #: 116 total cpu time spent up to now is 16.0 secs Computing kpt #: 117 total cpu time spent up to now is 16.1 secs Computing kpt #: 118 total cpu time spent up to now is 16.2 secs Computing kpt #: 119 total cpu time spent up to now is 16.4 secs Computing kpt #: 120 total cpu time spent up to now is 16.5 secs Computing kpt #: 121 total cpu time spent up to now is 16.6 secs Computing kpt #: 122 total cpu time spent up to now is 16.8 secs Computing kpt #: 123 total cpu time spent up to now is 16.9 secs Computing kpt #: 124 total cpu time spent up to now is 17.0 secs Computing kpt #: 125 total cpu time spent up to now is 17.2 secs Computing kpt #: 126 total cpu time spent up to now is 17.3 secs Computing kpt #: 127 total cpu time spent up to now is 17.4 secs Computing kpt #: 128 total cpu time spent up to now is 17.5 secs Computing kpt #: 129 total cpu time spent up to now is 17.7 secs Computing kpt #: 130 total cpu time spent up to now is 17.8 secs Computing kpt #: 131 total cpu time spent up to now is 17.9 secs Computing kpt #: 132 total cpu time spent up to now is 18.0 secs Computing kpt #: 133 total cpu time spent up to now is 18.2 secs Computing kpt #: 134 total cpu time spent up to now is 18.3 secs Computing kpt #: 135 total cpu time spent up to now is 18.4 secs Computing kpt #: 136 total cpu time spent up to now is 18.5 secs Computing kpt #: 137 total cpu time spent up to now is 18.6 secs Computing kpt #: 138 total cpu time spent up to now is 18.8 secs Computing kpt #: 139 total cpu time spent up to now is 18.9 secs Computing kpt #: 140 total cpu time spent up to now is 19.0 secs Computing kpt #: 141 total cpu time spent up to now is 19.1 secs Computing kpt #: 142 total cpu time spent up to now is 19.2 secs Computing kpt #: 143 total cpu time spent up to now is 19.3 secs Computing kpt #: 144 total cpu time spent up to now is 19.5 secs Computing kpt #: 145 total cpu time spent up to now is 19.6 secs Computing kpt #: 146 total cpu time spent up to now is 19.7 secs Computing kpt #: 147 total cpu time spent up to now is 19.8 secs Computing kpt #: 148 total cpu time spent up to now is 19.9 secs Computing kpt #: 149 total cpu time spent up to now is 20.0 secs Computing kpt #: 150 total cpu time spent up to now is 20.1 secs Computing kpt #: 151 total cpu time spent up to now is 20.3 secs Computing kpt #: 152 total cpu time spent up to now is 20.4 secs Computing kpt #: 153 total cpu time spent up to now is 20.5 secs Computing kpt #: 154 total cpu time spent up to now is 20.6 secs Computing kpt #: 155 total cpu time spent up to now is 20.7 secs Computing kpt #: 156 total cpu time spent up to now is 20.8 secs Computing kpt #: 157 total cpu time spent up to now is 20.9 secs Computing kpt #: 158 total cpu time spent up to now is 21.1 secs Computing kpt #: 159 total cpu time spent up to now is 21.2 secs Computing kpt #: 160 total cpu time spent up to now is 21.3 secs Computing kpt #: 161 total cpu time spent up to now is 21.4 secs Computing kpt #: 162 total cpu time spent up to now is 21.5 secs Computing kpt #: 163 total cpu time spent up to now is 21.7 secs Computing kpt #: 164 total cpu time spent up to now is 21.8 secs Computing kpt #: 165 total cpu time spent up to now is 21.9 secs Computing kpt #: 166 total cpu time spent up to now is 22.0 secs Computing kpt #: 167 total cpu time spent up to now is 22.2 secs Computing kpt #: 168 total cpu time spent up to now is 22.3 secs Computing kpt #: 169 total cpu time spent up to now is 22.4 secs Computing kpt #: 170 total cpu time spent up to now is 22.6 secs Computing kpt #: 171 total cpu time spent up to now is 22.7 secs Computing kpt #: 172 total cpu time spent up to now is 22.9 secs Computing kpt #: 173 total cpu time spent up to now is 23.0 secs Computing kpt #: 174 total cpu time spent up to now is 23.1 secs Computing kpt #: 175 total cpu time spent up to now is 23.3 secs Computing kpt #: 176 total cpu time spent up to now is 23.4 secs Computing kpt #: 177 total cpu time spent up to now is 23.5 secs Computing kpt #: 178 total cpu time spent up to now is 23.6 secs Computing kpt #: 179 total cpu time spent up to now is 23.8 secs Computing kpt #: 180 total cpu time spent up to now is 23.9 secs Computing kpt #: 181 total cpu time spent up to now is 24.0 secs Computing kpt #: 182 total cpu time spent up to now is 24.1 secs Computing kpt #: 183 total cpu time spent up to now is 24.3 secs Computing kpt #: 184 total cpu time spent up to now is 24.4 secs Computing kpt #: 185 total cpu time spent up to now is 24.5 secs Computing kpt #: 186 total cpu time spent up to now is 24.6 secs Computing kpt #: 187 total cpu time spent up to now is 24.8 secs Computing kpt #: 188 total cpu time spent up to now is 24.9 secs Computing kpt #: 189 total cpu time spent up to now is 25.0 secs Computing kpt #: 190 total cpu time spent up to now is 25.1 secs Computing kpt #: 191 total cpu time spent up to now is 25.2 secs Computing kpt #: 192 total cpu time spent up to now is 25.3 secs Computing kpt #: 193 total cpu time spent up to now is 25.4 secs Computing kpt #: 194 total cpu time spent up to now is 25.6 secs Computing kpt #: 195 total cpu time spent up to now is 25.7 secs Computing kpt #: 196 total cpu time spent up to now is 25.8 secs Computing kpt #: 197 total cpu time spent up to now is 25.9 secs Computing kpt #: 198 total cpu time spent up to now is 26.0 secs Computing kpt #: 199 total cpu time spent up to now is 26.1 secs Computing kpt #: 200 total cpu time spent up to now is 26.2 secs Computing kpt #: 201 total cpu time spent up to now is 26.4 secs Computing kpt #: 202 total cpu time spent up to now is 26.5 secs Computing kpt #: 203 total cpu time spent up to now is 26.6 secs Computing kpt #: 204 total cpu time spent up to now is 26.7 secs Computing kpt #: 205 total cpu time spent up to now is 26.8 secs Computing kpt #: 206 total cpu time spent up to now is 26.9 secs Computing kpt #: 207 total cpu time spent up to now is 27.0 secs Computing kpt #: 208 total cpu time spent up to now is 27.1 secs Computing kpt #: 209 total cpu time spent up to now is 27.2 secs Computing kpt #: 210 total cpu time spent up to now is 27.4 secs Computing kpt #: 211 total cpu time spent up to now is 27.5 secs Computing kpt #: 212 total cpu time spent up to now is 27.6 secs Computing kpt #: 213 total cpu time spent up to now is 27.7 secs Computing kpt #: 214 total cpu time spent up to now is 27.8 secs Computing kpt #: 215 total cpu time spent up to now is 27.9 secs Computing kpt #: 216 total cpu time spent up to now is 28.0 secs Computing kpt #: 217 total cpu time spent up to now is 28.1 secs Computing kpt #: 218 total cpu time spent up to now is 28.3 secs Computing kpt #: 219 total cpu time spent up to now is 28.4 secs Computing kpt #: 220 total cpu time spent up to now is 28.5 secs Computing kpt #: 221 total cpu time spent up to now is 28.6 secs Computing kpt #: 222 total cpu time spent up to now is 28.7 secs Computing kpt #: 223 total cpu time spent up to now is 28.8 secs Computing kpt #: 224 total cpu time spent up to now is 29.0 secs Computing kpt #: 225 total cpu time spent up to now is 29.1 secs Computing kpt #: 226 total cpu time spent up to now is 29.2 secs Computing kpt #: 227 total cpu time spent up to now is 29.3 secs Computing kpt #: 228 total cpu time spent up to now is 29.4 secs Computing kpt #: 229 total cpu time spent up to now is 29.6 secs Computing kpt #: 230 total cpu time spent up to now is 29.7 secs Computing kpt #: 231 total cpu time spent up to now is 29.8 secs Computing kpt #: 232 total cpu time spent up to now is 29.9 secs Computing kpt #: 233 total cpu time spent up to now is 30.0 secs Computing kpt #: 234 total cpu time spent up to now is 30.2 secs Computing kpt #: 235 total cpu time spent up to now is 30.3 secs Computing kpt #: 236 total cpu time spent up to now is 30.4 secs Computing kpt #: 237 total cpu time spent up to now is 30.6 secs Computing kpt #: 238 total cpu time spent up to now is 30.7 secs Computing kpt #: 239 total cpu time spent up to now is 30.8 secs Computing kpt #: 240 total cpu time spent up to now is 30.9 secs Computing kpt #: 241 total cpu time spent up to now is 31.1 secs Computing kpt #: 242 total cpu time spent up to now is 31.2 secs Computing kpt #: 243 total cpu time spent up to now is 31.3 secs Computing kpt #: 244 total cpu time spent up to now is 31.4 secs Computing kpt #: 245 total cpu time spent up to now is 31.6 secs Computing kpt #: 246 total cpu time spent up to now is 31.7 secs Computing kpt #: 247 total cpu time spent up to now is 31.8 secs Computing kpt #: 248 total cpu time spent up to now is 31.9 secs Computing kpt #: 249 total cpu time spent up to now is 32.0 secs Computing kpt #: 250 total cpu time spent up to now is 32.1 secs Computing kpt #: 251 total cpu time spent up to now is 32.2 secs Computing kpt #: 252 total cpu time spent up to now is 32.3 secs Computing kpt #: 253 total cpu time spent up to now is 32.4 secs Computing kpt #: 254 total cpu time spent up to now is 32.5 secs Computing kpt #: 255 total cpu time spent up to now is 32.6 secs Computing kpt #: 256 total cpu time spent up to now is 32.7 secs Computing kpt #: 257 total cpu time spent up to now is 32.8 secs Computing kpt #: 258 total cpu time spent up to now is 32.9 secs Computing kpt #: 259 total cpu time spent up to now is 33.0 secs Computing kpt #: 260 total cpu time spent up to now is 33.1 secs Computing kpt #: 261 total cpu time spent up to now is 33.2 secs Computing kpt #: 262 total cpu time spent up to now is 33.3 secs Computing kpt #: 263 total cpu time spent up to now is 33.4 secs Computing kpt #: 264 total cpu time spent up to now is 33.6 secs Computing kpt #: 265 total cpu time spent up to now is 33.7 secs Computing kpt #: 266 total cpu time spent up to now is 33.8 secs Computing kpt #: 267 total cpu time spent up to now is 33.9 secs Computing kpt #: 268 total cpu time spent up to now is 34.1 secs Computing kpt #: 269 total cpu time spent up to now is 34.2 secs Computing kpt #: 270 total cpu time spent up to now is 34.3 secs Computing kpt #: 271 total cpu time spent up to now is 34.5 secs Computing kpt #: 272 total cpu time spent up to now is 34.6 secs Computing kpt #: 273 total cpu time spent up to now is 34.7 secs Computing kpt #: 274 total cpu time spent up to now is 34.9 secs Computing kpt #: 275 total cpu time spent up to now is 35.0 secs Computing kpt #: 276 total cpu time spent up to now is 35.1 secs Computing kpt #: 277 total cpu time spent up to now is 35.3 secs Computing kpt #: 278 total cpu time spent up to now is 35.4 secs Computing kpt #: 279 total cpu time spent up to now is 35.5 secs Computing kpt #: 280 total cpu time spent up to now is 35.7 secs Computing kpt #: 281 total cpu time spent up to now is 35.8 secs Computing kpt #: 282 total cpu time spent up to now is 36.0 secs Computing kpt #: 283 total cpu time spent up to now is 36.1 secs Computing kpt #: 284 total cpu time spent up to now is 36.2 secs Computing kpt #: 285 total cpu time spent up to now is 36.4 secs Computing kpt #: 286 total cpu time spent up to now is 36.5 secs Computing kpt #: 287 total cpu time spent up to now is 36.7 secs Computing kpt #: 288 total cpu time spent up to now is 36.8 secs Computing kpt #: 289 total cpu time spent up to now is 37.0 secs Computing kpt #: 290 total cpu time spent up to now is 37.1 secs Computing kpt #: 291 total cpu time spent up to now is 37.3 secs Computing kpt #: 292 total cpu time spent up to now is 37.4 secs Computing kpt #: 293 total cpu time spent up to now is 37.5 secs Computing kpt #: 294 total cpu time spent up to now is 37.7 secs Computing kpt #: 295 total cpu time spent up to now is 37.8 secs Computing kpt #: 296 total cpu time spent up to now is 38.0 secs Computing kpt #: 297 total cpu time spent up to now is 38.1 secs Computing kpt #: 298 total cpu time spent up to now is 38.2 secs Computing kpt #: 299 total cpu time spent up to now is 38.4 secs Computing kpt #: 300 total cpu time spent up to now is 38.5 secs Computing kpt #: 301 total cpu time spent up to now is 38.6 secs Computing kpt #: 302 total cpu time spent up to now is 38.7 secs Computing kpt #: 303 total cpu time spent up to now is 38.8 secs Computing kpt #: 304 total cpu time spent up to now is 39.0 secs Computing kpt #: 305 total cpu time spent up to now is 39.1 secs Computing kpt #: 306 total cpu time spent up to now is 39.2 secs Computing kpt #: 307 total cpu time spent up to now is 39.3 secs Computing kpt #: 308 total cpu time spent up to now is 39.4 secs Computing kpt #: 309 total cpu time spent up to now is 39.5 secs Computing kpt #: 310 total cpu time spent up to now is 39.7 secs Computing kpt #: 311 total cpu time spent up to now is 39.8 secs Computing kpt #: 312 total cpu time spent up to now is 39.9 secs Computing kpt #: 313 total cpu time spent up to now is 40.0 secs Computing kpt #: 314 total cpu time spent up to now is 40.1 secs Computing kpt #: 315 total cpu time spent up to now is 40.2 secs Computing kpt #: 316 total cpu time spent up to now is 40.3 secs Computing kpt #: 317 total cpu time spent up to now is 40.4 secs Computing kpt #: 318 total cpu time spent up to now is 40.5 secs Computing kpt #: 319 total cpu time spent up to now is 40.6 secs Computing kpt #: 320 total cpu time spent up to now is 40.7 secs Computing kpt #: 321 total cpu time spent up to now is 40.8 secs Computing kpt #: 322 total cpu time spent up to now is 40.9 secs Computing kpt #: 323 total cpu time spent up to now is 41.0 secs Computing kpt #: 324 total cpu time spent up to now is 41.1 secs Computing kpt #: 325 total cpu time spent up to now is 41.2 secs Computing kpt #: 326 total cpu time spent up to now is 41.3 secs Computing kpt #: 327 total cpu time spent up to now is 41.4 secs Computing kpt #: 328 total cpu time spent up to now is 41.5 secs Computing kpt #: 329 total cpu time spent up to now is 41.7 secs Computing kpt #: 330 total cpu time spent up to now is 41.8 secs Computing kpt #: 331 total cpu time spent up to now is 41.9 secs Computing kpt #: 332 total cpu time spent up to now is 42.1 secs Computing kpt #: 333 total cpu time spent up to now is 42.2 secs Computing kpt #: 334 total cpu time spent up to now is 42.3 secs Computing kpt #: 335 total cpu time spent up to now is 42.5 secs Computing kpt #: 336 total cpu time spent up to now is 42.6 secs Computing kpt #: 337 total cpu time spent up to now is 42.8 secs Computing kpt #: 338 total cpu time spent up to now is 42.9 secs Computing kpt #: 339 total cpu time spent up to now is 43.1 secs Computing kpt #: 340 total cpu time spent up to now is 43.2 secs Computing kpt #: 341 total cpu time spent up to now is 43.4 secs Computing kpt #: 342 total cpu time spent up to now is 43.5 secs Computing kpt #: 343 total cpu time spent up to now is 43.6 secs Computing kpt #: 344 total cpu time spent up to now is 43.8 secs Computing kpt #: 345 total cpu time spent up to now is 43.9 secs Computing kpt #: 346 total cpu time spent up to now is 44.1 secs Computing kpt #: 347 total cpu time spent up to now is 44.2 secs Computing kpt #: 348 total cpu time spent up to now is 44.4 secs Computing kpt #: 349 total cpu time spent up to now is 44.5 secs Computing kpt #: 350 total cpu time spent up to now is 44.7 secs Computing kpt #: 351 total cpu time spent up to now is 44.8 secs Computing kpt #: 352 total cpu time spent up to now is 44.9 secs Computing kpt #: 353 total cpu time spent up to now is 45.0 secs Computing kpt #: 354 total cpu time spent up to now is 45.2 secs Computing kpt #: 355 total cpu time spent up to now is 45.3 secs Computing kpt #: 356 total cpu time spent up to now is 45.4 secs Computing kpt #: 357 total cpu time spent up to now is 45.6 secs Computing kpt #: 358 total cpu time spent up to now is 45.7 secs Computing kpt #: 359 total cpu time spent up to now is 45.8 secs Computing kpt #: 360 total cpu time spent up to now is 45.9 secs Computing kpt #: 361 total cpu time spent up to now is 46.0 secs Computing kpt #: 362 total cpu time spent up to now is 46.2 secs Computing kpt #: 363 total cpu time spent up to now is 46.3 secs Computing kpt #: 364 total cpu time spent up to now is 46.4 secs Computing kpt #: 365 total cpu time spent up to now is 46.5 secs Computing kpt #: 366 total cpu time spent up to now is 46.6 secs Computing kpt #: 367 total cpu time spent up to now is 46.8 secs Computing kpt #: 368 total cpu time spent up to now is 46.9 secs Computing kpt #: 369 total cpu time spent up to now is 47.0 secs Computing kpt #: 370 total cpu time spent up to now is 47.1 secs Computing kpt #: 371 total cpu time spent up to now is 47.2 secs Computing kpt #: 372 total cpu time spent up to now is 47.3 secs Computing kpt #: 373 total cpu time spent up to now is 47.4 secs Computing kpt #: 374 total cpu time spent up to now is 47.5 secs Computing kpt #: 375 total cpu time spent up to now is 47.6 secs Computing kpt #: 376 total cpu time spent up to now is 47.7 secs ethr = 4.55E-08, avg # of iterations = 13.5 total cpu time spent up to now is 47.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1309 PWs) bands (ev): -43.6990 -43.6990 -17.9443 -17.9443 -10.1604 -10.1604 -10.1604 -10.1604 8.8248 8.8248 12.0511 12.0511 12.0511 12.0511 14.7032 14.7032 14.7032 14.7032 15.4580 15.4580 19.7699 19.7699 19.7699 19.7699 23.4502 23.4502 23.4502 23.4502 23.8870 23.8870 k = 0.0000 0.0102-0.0000 ( 1309 PWs) bands (ev): -43.6990 -43.6990 -17.9443 -17.9443 -10.1608 -10.1608 -10.1604 -10.1604 8.8271 8.8271 12.0519 12.0519 12.0526 12.0526 14.7029 14.7029 14.7035 14.7035 15.4579 15.4579 19.7674 19.7674 19.7706 19.7706 23.4024 23.4024 23.4455 23.4455 23.9311 23.9311 k = 0.0000 0.0204-0.0000 ( 1309 PWs) bands (ev): -43.6989 -43.6989 -17.9445 -17.9445 -10.1619 -10.1619 -10.1603 -10.1603 8.8342 8.8342 12.0545 12.0545 12.0573 12.0573 14.7018 14.7018 14.7042 14.7042 15.4578 15.4578 19.7601 19.7601 19.7728 19.7728 23.2928 23.2928 23.4308 23.4308 24.0072 24.0072 k = 0.0000 0.0306-0.0000 ( 1297 PWs) bands (ev): -43.6988 -43.6988 -17.9446 -17.9446 -10.1634 -10.1634 -10.1601 -10.1601 8.8459 8.8459 12.0588 12.0588 12.0650 12.0650 14.7002 14.7002 14.7055 14.7055 15.4577 15.4577 19.7479 19.7479 19.7763 19.7763 23.1590 23.1590 23.4053 23.4053 23.9615 23.9615 k = 0.0000 0.0408-0.0000 ( 1289 PWs) bands (ev): -43.6986 -43.6986 -17.9449 -17.9449 -10.1658 -10.1658 -10.1599 -10.1599 8.8623 8.8623 12.0649 12.0649 12.0758 12.0758 14.6978 14.6978 14.7073 14.7073 15.4575 15.4575 19.7309 19.7309 19.7812 19.7812 23.0157 23.0157 23.3671 23.3671 23.9057 23.9057 k = 0.0000 0.0510-0.0000 ( 1285 PWs) bands (ev): -43.6985 -43.6985 -17.9455 -17.9455 -10.1690 -10.1690 -10.1596 -10.1596 8.8833 8.8833 12.0726 12.0726 12.0896 12.0896 14.6948 14.6948 14.7095 14.7095 15.4572 15.4572 19.7091 19.7091 19.7872 19.7872 22.8684 22.8684 23.3144 23.3144 23.8459 23.8459 k = 0.0000 0.0612-0.0000 ( 1293 PWs) bands (ev): -43.6983 -43.6983 -17.9464 -17.9464 -10.1731 -10.1731 -10.1594 -10.1594 8.9089 8.9089 12.0820 12.0820 12.1063 12.1063 14.6911 14.6911 14.7122 14.7122 15.4570 15.4570 19.6827 19.6827 19.7943 19.7943 22.7195 22.7195 23.2458 23.2458 23.7870 23.7870 k = 0.0000 0.0714-0.0000 ( 1293 PWs) bands (ev): -43.6981 -43.6981 -17.9473 -17.9473 -10.1777 -10.1777 -10.1591 -10.1591 8.9391 8.9391 12.0931 12.0931 12.1260 12.1260 14.6869 14.6869 14.7154 14.7154 15.4568 15.4568 19.6518 19.6518 19.8021 19.8021 22.5705 22.5705 23.1615 23.1615 23.7322 23.7322 k = 0.0000 0.0816-0.0000 ( 1285 PWs) bands (ev): -43.6978 -43.6978 -17.9482 -17.9482 -10.1828 -10.1828 -10.1586 -10.1586 8.9739 8.9739 12.1059 12.1059 12.1484 12.1484 14.6821 14.6821 14.7190 14.7190 15.4567 15.4567 19.6165 19.6165 19.8105 19.8105 22.4222 22.4222 23.0631 23.0631 23.6825 23.6825 k = 0.0000 0.0918-0.0000 ( 1285 PWs) bands (ev): -43.6975 -43.6975 -17.9493 -17.9493 -10.1886 -10.1886 -10.1582 -10.1582 9.0131 9.0131 12.1203 12.1203 12.1736 12.1736 14.6767 14.6767 14.7230 14.7230 15.4567 15.4567 19.5769 19.5769 19.8190 19.8190 22.2753 22.2753 22.9533 22.9533 23.6373 23.6373 k = 0.0000 0.1020-0.0000 ( 1285 PWs) bands (ev): -43.6972 -43.6972 -17.9506 -17.9506 -10.1951 -10.1951 -10.1578 -10.1578 9.0568 9.0568 12.1363 12.1363 12.2015 12.2015 14.6708 14.6708 14.7273 14.7273 15.4569 15.4569 19.5332 19.5332 19.8274 19.8274 22.1301 22.1301 22.8351 22.8351 23.5951 23.5951 k = 0.0000 0.1122-0.0000 ( 1281 PWs) bands (ev): -43.6968 -43.6968 -17.9519 -17.9519 -10.2019 -10.2019 -10.1573 -10.1573 9.1048 9.1048 12.1539 12.1539 12.2318 12.2318 14.6644 14.6644 14.7320 14.7320 15.4572 15.4572 19.4856 19.4856 19.8351 19.8351 21.9871 21.9871 22.7109 22.7109 23.5550 23.5550 k = 0.0000 0.1224-0.0000 ( 1289 PWs) bands (ev): -43.6965 -43.6965 -17.9535 -17.9535 -10.2095 -10.2095 -10.1570 -10.1570 9.1572 9.1572 12.1730 12.1730 12.2645 12.2645 14.6576 14.6576 14.7370 14.7370 15.4579 15.4579 19.4343 19.4343 19.8415 19.8415 21.8467 21.8467 22.5828 22.5828 23.5158 23.5158 k = 0.0000 0.1327-0.0000 ( 1289 PWs) bands (ev): -43.6961 -43.6961 -17.9551 -17.9551 -10.2175 -10.2175 -10.1565 -10.1565 9.2138 9.2138 12.1936 12.1936 12.2995 12.2995 14.6503 14.6503 14.7422 14.7422 15.4588 15.4588 19.3794 19.3794 19.8462 19.8462 21.7090 21.7090 22.4525 22.4525 23.4770 23.4770 k = 0.0000 0.1429-0.0000 ( 1289 PWs) bands (ev): -43.6956 -43.6956 -17.9568 -17.9568 -10.2260 -10.2260 -10.1560 -10.1560 9.2745 9.2745 12.2157 12.2157 12.3366 12.3366 14.6427 14.6427 14.7477 14.7477 15.4601 15.4601 19.3212 19.3212 19.8482 19.8482 21.5745 21.5745 22.3210 22.3210 23.4380 23.4380 k = 0.0000 0.1531-0.0000 ( 1289 PWs) bands (ev): -43.6952 -43.6952 -17.9586 -17.9586 -10.2349 -10.2349 -10.1554 -10.1554 9.3394 9.3394 12.2393 12.2393 12.3757 12.3757 14.6348 14.6348 14.7534 14.7534 15.4618 15.4618 19.2598 19.2598 19.8467 19.8467 21.4434 21.4434 22.1894 22.1894 23.3986 23.3986 k = 0.0000 0.1633-0.0000 ( 1289 PWs) bands (ev): -43.6947 -43.6947 -17.9604 -17.9604 -10.2441 -10.2441 -10.1548 -10.1548 9.4082 9.4082 12.2642 12.2642 12.4165 12.4165 14.6265 14.6265 14.7592 14.7592 15.4639 15.4639 19.1956 19.1956 19.8408 19.8408 21.3160 21.3160 22.0583 22.0583 23.3586 23.3586 k = 0.0000 0.1735-0.0000 ( 1289 PWs) bands (ev): -43.6942 -43.6942 -17.9623 -17.9623 -10.2537 -10.2537 -10.1541 -10.1541 9.4810 9.4810 12.2904 12.2904 12.4590 12.4590 14.6180 14.6180 14.7652 14.7652 15.4665 15.4665 19.1287 19.1287 19.8295 19.8295 21.1926 21.1926 21.9283 21.9283 23.3180 23.3180 k = 0.0000 0.1837-0.0000 ( 1289 PWs) bands (ev): -43.6937 -43.6937 -17.9643 -17.9643 -10.2636 -10.2636 -10.1535 -10.1535 9.5575 9.5575 12.3179 12.3179 12.5028 12.5028 14.6093 14.6093 14.7712 14.7712 15.4697 15.4697 19.0594 19.0594 19.8116 19.8116 21.0734 21.0734 21.7998 21.7998 23.2767 23.2767 k = 0.0000 0.1939-0.0000 ( 1289 PWs) bands (ev): -43.6932 -43.6932 -17.9664 -17.9664 -10.2737 -10.2737 -10.1528 -10.1528 9.6378 9.6378 12.3466 12.3466 12.5479 12.5479 14.6004 14.6004 14.7774 14.7774 15.4734 15.4734 18.9879 18.9879 19.7860 19.7860 20.9586 20.9586 21.6733 21.6733 23.2348 23.2348 k = 0.0000 0.2041-0.0000 ( 1289 PWs) bands (ev): -43.6926 -43.6926 -17.9685 -17.9685 -10.2840 -10.2840 -10.1521 -10.1521 9.7215 9.7215 12.3765 12.3765 12.5940 12.5940 14.5913 14.5913 14.7836 14.7836 15.4778 15.4778 18.9145 18.9145 19.7519 19.7519 20.8484 20.8484 21.5490 21.5490 23.1924 23.1924 k = 0.0000 0.2143-0.0000 ( 1289 PWs) bands (ev): -43.6921 -43.6921 -17.9707 -17.9707 -10.2945 -10.2945 -10.1515 -10.1515 9.8088 9.8088 12.4074 12.4074 12.6408 12.6408 14.5821 14.5821 14.7898 14.7898 15.4827 15.4827 18.8394 18.8394 19.7084 19.7084 20.7426 20.7426 21.4273 21.4273 23.1496 23.1496 k = 0.0000 0.2245-0.0000 ( 1289 PWs) bands (ev): -43.6915 -43.6915 -17.9728 -17.9728 -10.3051 -10.3051 -10.1507 -10.1507 9.8993 9.8993 12.4392 12.4392 12.6882 12.6882 14.5727 14.5727 14.7960 14.7960 15.4882 15.4882 18.7628 18.7628 19.6552 19.6552 20.6411 20.6411 21.3082 21.3082 23.1064 23.1064 k = 0.0000 0.2347-0.0000 ( 1285 PWs) bands (ev): -43.6910 -43.6910 -17.9750 -17.9750 -10.3157 -10.3157 -10.1500 -10.1500 9.9931 9.9931 12.4719 12.4719 12.7360 12.7360 14.5633 14.5633 14.8023 14.8023 15.4944 15.4944 18.6851 18.6851 19.5920 19.5920 20.5434 20.5434 21.1921 21.1921 23.0630 23.0630 k = 0.0000 0.2449-0.0000 ( 1285 PWs) bands (ev): -43.6904 -43.6904 -17.9772 -17.9772 -10.3264 -10.3264 -10.1493 -10.1493 10.0898 10.0898 12.5054 12.5054 12.7837 12.7837 14.5537 14.5537 14.8085 14.8085 15.5012 15.5012 18.6064 18.6064 19.5193 19.5193 20.4489 20.4489 21.0791 21.0791 23.0195 23.0195 k = 0.0000 0.2551-0.0000 ( 1285 PWs) bands (ev): -43.6898 -43.6898 -17.9794 -17.9794 -10.3371 -10.3371 -10.1485 -10.1485 10.1894 10.1894 12.5396 12.5396 12.8313 12.8313 14.5441 14.5441 14.8147 14.8147 15.5086 15.5086 18.5271 18.5271 19.4376 19.4376 20.3572 20.3572 20.9694 20.9694 22.9762 22.9762 k = 0.0000 0.2653-0.0000 ( 1285 PWs) bands (ev): -43.6893 -43.6893 -17.9816 -17.9816 -10.3477 -10.3477 -10.1478 -10.1478 10.2916 10.2916 12.5744 12.5744 12.8784 12.8784 14.5343 14.5343 14.8210 14.8210 15.5165 15.5165 18.4474 18.4474 19.3479 19.3479 20.2676 20.2676 20.8631 20.8631 22.9330 22.9330 k = 0.0000 0.2755-0.0000 ( 1286 PWs) bands (ev): -43.6887 -43.6887 -17.9839 -17.9839 -10.3583 -10.3583 -10.1471 -10.1471 10.3964 10.3964 12.6095 12.6095 12.9249 12.9249 14.5243 14.5243 14.8272 14.8272 15.5250 15.5250 18.3675 18.3675 19.2513 19.2513 20.1798 20.1798 20.7604 20.7604 22.8902 22.8902 k = 0.0000 0.2857-0.0000 ( 1286 PWs) bands (ev): -43.6881 -43.6881 -17.9861 -17.9861 -10.3687 -10.3686 -10.1464 -10.1464 10.5034 10.5034 12.6450 12.6450 12.9704 12.9704 14.5142 14.5142 14.8335 14.8335 15.5340 15.5340 18.2878 18.2878 19.1486 19.1486 20.0937 20.0937 20.6613 20.6613 22.8480 22.8480 k = 0.0000 0.2959-0.0000 ( 1286 PWs) bands (ev): -43.6876 -43.6876 -17.9882 -17.9882 -10.3788 -10.3788 -10.1457 -10.1457 10.6124 10.6124 12.6807 12.6807 13.0146 13.0146 14.5037 14.5037 14.8398 14.8398 15.5434 15.5434 18.2085 18.2085 19.0412 19.0412 20.0094 20.0094 20.5660 20.5660 22.8064 22.8064 k = 0.0000 0.3061-0.0000 ( 1278 PWs) bands (ev): -43.6870 -43.6870 -17.9902 -17.9902 -10.3887 -10.3887 -10.1449 -10.1449 10.7233 10.7233 12.7163 12.7163 13.0574 13.0574 14.4930 14.4930 14.8461 14.8461 15.5533 15.5533 18.1299 18.1299 18.9298 18.9298 19.9271 19.9271 20.4746 20.4746 22.7657 22.7657 k = 0.0000 0.3163-0.0000 ( 1278 PWs) bands (ev): -43.6865 -43.6865 -17.9923 -17.9923 -10.3984 -10.3984 -10.1442 -10.1442 10.8357 10.8357 12.7518 12.7518 13.0984 13.0984 14.4819 14.4819 14.8525 14.8525 15.5634 15.5634 18.0523 18.0523 18.8157 18.8157 19.8470 19.8470 20.3873 20.3873 22.7260 22.7260 k = 0.0000 0.3265-0.0000 ( 1278 PWs) bands (ev): -43.6860 -43.6860 -17.9943 -17.9943 -10.4078 -10.4078 -10.1435 -10.1435 10.9494 10.9494 12.7871 12.7871 13.1374 13.1374 14.4702 14.4702 14.8589 14.8589 15.5737 15.5737 17.9760 17.9760 18.6997 18.6997 19.7697 19.7697 20.3040 20.3040 22.6874 22.6874 k = 0.0000 0.3367-0.0000 ( 1278 PWs) bands (ev): -43.6855 -43.6855 -17.9963 -17.9963 -10.4169 -10.4169 -10.1429 -10.1429 11.0639 11.0639 12.8218 12.8218 13.1742 13.1742 14.4580 14.4580 14.8653 14.8653 15.5843 15.5843 17.9013 17.9013 18.5830 18.5830 19.6954 19.6954 20.2250 20.2250 22.6501 22.6501 k = 0.0000 0.3469-0.0000 ( 1282 PWs) bands (ev): -43.6850 -43.6850 -17.9983 -17.9983 -10.4256 -10.4256 -10.1423 -10.1423 11.1790 11.1790 12.8558 12.8558 13.2084 13.2084 14.4450 14.4450 14.8718 14.8718 15.5949 15.5949 17.8285 17.8285 18.4664 18.4664 19.6246 19.6246 20.1502 20.1502 22.6143 22.6143 k = 0.0000 0.3571-0.0000 ( 1278 PWs) bands (ev): -43.6846 -43.6846 -18.0000 -18.0000 -10.4338 -10.4338 -10.1418 -10.1418 11.2943 11.2943 12.8890 12.8890 13.2400 13.2400 14.4312 14.4312 14.8783 14.8783 15.6055 15.6055 17.7579 17.7579 18.3510 18.3510 19.5575 19.5575 20.0798 20.0798 22.5800 22.5800 k = 0.0000 0.3673-0.0000 ( 1270 PWs) bands (ev): -43.6841 -43.6841 -18.0016 -18.0016 -10.4415 -10.4415 -10.1411 -10.1411 11.4092 11.4092 12.9211 12.9211 13.2686 13.2686 14.4166 14.4166 14.8848 14.8848 15.6160 15.6160 17.6899 17.6899 18.2379 18.2379 19.4943 19.4943 20.0139 20.0139 22.5474 22.5474 k = 0.0000 0.3776-0.0000 ( 1270 PWs) bands (ev): -43.6837 -43.6837 -18.0032 -18.0032 -10.4489 -10.4489 -10.1406 -10.1406 11.5231 11.5231 12.9519 12.9519 13.2940 13.2940 14.4009 14.4009 14.8912 14.8912 15.6264 15.6264 17.6248 17.6248 18.1280 18.1280 19.4353 19.4353 19.9525 19.9525 22.5167 22.5167 k = 0.0000 0.3878-0.0000 ( 1270 PWs) bands (ev): -43.6833 -43.6833 -18.0047 -18.0047 -10.4558 -10.4558 -10.1401 -10.1401 11.6356 11.6356 12.9813 12.9813 13.3161 13.3161 14.3843 14.3843 14.8976 14.8976 15.6365 15.6365 17.5629 17.5629 18.0224 18.0224 19.3807 19.3807 19.8957 19.8957 22.4879 22.4879 k = 0.0000 0.3980-0.0000 ( 1262 PWs) bands (ev): -43.6830 -43.6830 -18.0060 -18.0060 -10.4620 -10.4620 -10.1395 -10.1395 11.7458 11.7458 13.0090 13.0090 13.3345 13.3345 14.3669 14.3669 14.9038 14.9038 15.6462 15.6462 17.5047 17.5047 17.9220 17.9220 19.3305 19.3305 19.8436 19.8436 22.4612 22.4612 k = 0.0000 0.4082-0.0000 ( 1262 PWs) bands (ev): -43.6826 -43.6826 -18.0073 -18.0073 -10.4679 -10.4679 -10.1391 -10.1391 11.8530 11.8530 13.0348 13.0348 13.3492 13.3492 14.3487 14.3487 14.9098 14.9098 15.6555 15.6555 17.4505 17.4505 17.8278 17.8278 19.2849 19.2849 19.7963 19.7963 22.4367 22.4367 k = 0.0000 0.4184-0.0000 ( 1258 PWs) bands (ev): -43.6823 -43.6823 -18.0084 -18.0084 -10.4731 -10.4731 -10.1387 -10.1387 11.9561 11.9561 13.0585 13.0585 13.3601 13.3601 14.3300 14.3300 14.9155 14.9155 15.6641 15.6641 17.4006 17.4006 17.7408 17.7408 19.2439 19.2439 19.7537 19.7537 22.4145 22.4145 k = 0.0000 0.4286-0.0000 ( 1258 PWs) bands (ev): -43.6821 -43.6821 -18.0094 -18.0094 -10.4778 -10.4778 -10.1384 -10.1384 12.0539 12.0539 13.0799 13.0799 13.3672 13.3672 14.3113 14.3113 14.9209 14.9209 15.6721 15.6721 17.3555 17.3555 17.6619 17.6619 19.2077 19.2077 19.7161 19.7161 22.3947 22.3947 k = 0.0000 0.4388-0.0000 ( 1258 PWs) bands (ev): -43.6818 -43.6818 -18.0104 -18.0104 -10.4819 -10.4819 -10.1381 -10.1381 12.1451 12.1451 13.0989 13.0989 13.3705 13.3705 14.2930 14.2930 14.9258 14.9258 15.6793 15.6793 17.3155 17.3155 17.5917 17.5917 19.1762 19.1762 19.6833 19.6833 22.3774 22.3774 k = 0.0000 0.4490-0.0000 ( 1258 PWs) bands (ev): -43.6816 -43.6816 -18.0112 -18.0112 -10.4854 -10.4854 -10.1378 -10.1378 12.2280 12.2280 13.1153 13.1153 13.3706 13.3706 14.2758 14.2758 14.9302 14.9302 15.6857 15.6857 17.2810 17.2810 17.5311 17.5311 19.1495 19.1495 19.6555 19.6555 22.3626 22.3626 k = 0.0000 0.4592-0.0000 ( 1266 PWs) bands (ev): -43.6815 -43.6815 -18.0120 -18.0120 -10.4884 -10.4884 -10.1378 -10.1378 12.3006 12.3006 13.1289 13.1289 13.3680 13.3680 14.2604 14.2604 14.9339 14.9339 15.6910 15.6910 17.2522 17.2522 17.4806 17.4806 19.1276 19.1276 19.6327 19.6327 22.3504 22.3504 k = 0.0000 0.4694-0.0000 ( 1266 PWs) bands (ev): -43.6814 -43.6814 -18.0125 -18.0125 -10.4906 -10.4906 -10.1376 -10.1376 12.3607 12.3607 13.1396 13.1396 13.3638 13.3638 14.2474 14.2474 14.9368 14.9368 15.6952 15.6952 17.2295 17.2295 17.4408 17.4408 19.1105 19.1105 19.6150 19.6150 22.3408 22.3408 k = 0.0000 0.4796-0.0000 ( 1266 PWs) bands (ev): -43.6813 -43.6813 -18.0129 -18.0129 -10.4922 -10.4922 -10.1375 -10.1375 12.4060 12.4060 13.1473 13.1473 13.3592 13.3592 14.2377 14.2377 14.9390 14.9390 15.6983 15.6983 17.2131 17.2131 17.4121 17.4121 19.0984 19.0984 19.6023 19.6023 22.3340 22.3340 k = 0.0000 0.4898-0.0000 ( 1266 PWs) bands (ev): -43.6812 -43.6812 -18.0131 -18.0131 -10.4932 -10.4932 -10.1375 -10.1375 12.4342 12.4342 13.1520 13.1520 13.3557 13.3557 14.2316 14.2316 14.9404 14.9404 15.7002 15.7002 17.2032 17.2032 17.3948 17.3948 19.0910 19.0910 19.5946 19.5946 22.3299 22.3299 k = 0.0000 0.5000-0.0000 ( 1278 PWs) bands (ev): -43.6812 -43.6812 -18.0134 -18.0134 -10.4937 -10.4937 -10.1376 -10.1376 12.4438 12.4438 13.1535 13.1535 13.3544 13.3544 14.2295 14.2295 14.9408 14.9408 15.7008 15.7008 17.1999 17.1999 17.3890 17.3890 19.0886 19.0886 19.5921 19.5921 22.3285 22.3285 k = 0.0000 0.5000-0.0000 ( 1278 PWs) bands (ev): -43.6812 -43.6812 -18.0134 -18.0134 -10.4937 -10.4937 -10.1376 -10.1376 12.4438 12.4438 13.1535 13.1535 13.3544 13.3544 14.2295 14.2295 14.9408 14.9408 15.7008 15.7008 17.1999 17.1999 17.3890 17.3890 19.0886 19.0886 19.5921 19.5921 22.3285 22.3285 k = 0.0102 0.5000-0.0000 ( 1260 PWs) bands (ev): -43.6812 -43.6812 -18.0131 -18.0131 -10.4935 -10.4935 -10.1375 -10.1375 12.4443 12.4443 13.1533 13.1533 13.3523 13.3523 14.2312 14.2312 14.9408 14.9408 15.6975 15.6975 17.2033 17.2033 17.3885 17.3885 19.0928 19.0928 19.5953 19.5953 22.3299 22.3299 k = 0.0204 0.5000-0.0000 ( 1260 PWs) bands (ev): -43.6811 -43.6811 -18.0132 -18.0132 -10.4935 -10.4935 -10.1381 -10.1381 12.4454 12.4454 13.1526 13.1526 13.3461 13.3461 14.2362 14.2362 14.9407 14.9407 15.6876 15.6876 17.2130 17.2130 17.3874 17.3874 19.1051 19.1051 19.6050 19.6050 22.3340 22.3340 k = 0.0306 0.5000-0.0000 ( 1260 PWs) bands (ev): -43.6811 -43.6811 -18.0135 -18.0135 -10.4935 -10.4935 -10.1391 -10.1391 12.4472 12.4472 13.1513 13.1513 13.3364 13.3364 14.2442 14.2442 14.9409 14.9409 15.6715 15.6715 17.2280 17.2280 17.3867 17.3867 19.1254 19.1254 19.6211 19.6211 22.3407 22.3407 k = 0.0408 0.5000-0.0000 ( 1260 PWs) bands (ev): -43.6809 -43.6809 -18.0138 -18.0138 -10.4936 -10.4936 -10.1405 -10.1405 12.4495 12.4495 13.1489 13.1489 13.3240 13.3240 14.2546 14.2546 14.9417 14.9417 15.6494 15.6494 17.2460 17.2460 17.3886 17.3886 19.1529 19.1529 19.6437 19.6437 22.3502 22.3502 k = 0.0510 0.5000-0.0000 ( 1260 PWs) bands (ev): -43.6808 -43.6808 -18.0142 -18.0142 -10.4936 -10.4936 -10.1423 -10.1423 12.4518 12.4518 13.1447 13.1447 13.3104 13.3104 14.2666 14.2666 14.9436 14.9436 15.6222 15.6222 17.2626 17.2626 17.3975 17.3975 19.1869 19.1869 19.6729 19.6729 22.3622 22.3622 k = 0.0612 0.5000-0.0000 ( 1260 PWs) bands (ev): -43.6806 -43.6806 -18.0147 -18.0147 -10.4937 -10.4937 -10.1444 -10.1444 12.4538 12.4538 13.1374 13.1374 13.2978 13.2978 14.2795 14.2795 14.9472 14.9472 15.5905 15.5905 17.2724 17.2724 17.4186 17.4186 19.2264 19.2264 19.7085 19.7085 22.3768 22.3768 k = 0.0714 0.5000-0.0000 ( 1260 PWs) bands (ev): -43.6804 -43.6804 -18.0153 -18.0153 -10.4938 -10.4938 -10.1469 -10.1469 12.4552 12.4552 13.1251 13.1251 13.2886 13.2886 14.2921 14.2921 14.9533 14.9533 15.5552 15.5552 17.2731 17.2731 17.4541 17.4541 19.2704 19.2704 19.7509 19.7509 22.3938 22.3938 k = 0.0816 0.5000-0.0000 ( 1264 PWs) bands (ev): -43.6802 -43.6802 -18.0160 -18.0160 -10.4940 -10.4940 -10.1498 -10.1498 12.4555 12.4555 13.1066 13.1066 13.2854 13.2854 14.3035 14.3035 14.9623 14.9623 15.5174 15.5174 17.2667 17.2667 17.5018 17.5018 19.3176 19.3176 19.8000 19.8000 22.4131 22.4131 k = 0.0918 0.5000-0.0000 ( 1264 PWs) bands (ev): -43.6800 -43.6800 -18.0168 -18.0168 -10.4942 -10.4942 -10.1529 -10.1529 12.4541 12.4541 13.0813 13.0813 13.2892 13.2892 14.3125 14.3125 14.9746 14.9746 15.4786 15.4786 17.2560 17.2560 17.5589 17.5589 19.3670 19.3670 19.8561 19.8561 22.4346 22.4346 k = 0.1020 0.5000-0.0000 ( 1272 PWs) bands (ev): -43.6797 -43.6797 -18.0178 -18.0178 -10.4946 -10.4946 -10.1564 -10.1564 12.4507 12.4507 13.0502 13.0502 13.3002 13.3002 14.3184 14.3184 14.9896 14.9896 15.4406 15.4406 17.2426 17.2426 17.6234 17.6234 19.4172 19.4172 19.9191 19.9191 22.4582 22.4582 k = 0.1122 0.5000-0.0000 ( 1272 PWs) bands (ev): -43.6794 -43.6794 -18.0187 -18.0187 -10.4950 -10.4950 -10.1600 -10.1600 12.4450 12.4450 13.0144 13.0144 13.3178 13.3178 14.3204 14.3204 15.0059 15.0059 15.4063 15.4063 17.2278 17.2278 17.6942 17.6942 19.4673 19.4673 19.9891 19.9891 22.4836 22.4836 k = 0.1224 0.5000-0.0000 ( 1274 PWs) bands (ev): -43.6791 -43.6791 -18.0197 -18.0197 -10.4955 -10.4955 -10.1639 -10.1639 12.4367 12.4367 12.9751 12.9751 13.3414 13.3414 14.3183 14.3183 15.0197 15.0197 15.3804 15.3804 17.2121 17.2121 17.7703 17.7703 19.5163 19.5163 20.0658 20.0658 22.5109 22.5109 k = 0.1327 0.5000-0.0000 ( 1270 PWs) bands (ev): -43.6787 -43.6787 -18.0207 -18.0207 -10.4960 -10.4960 -10.1678 -10.1678 12.4256 12.4256 12.9332 12.9332 13.3706 13.3706 14.3122 14.3122 15.0257 15.0257 15.3687 15.3687 17.1960 17.1960 17.8512 17.8512 19.5635 19.5635 20.1490 20.1490 22.5398 22.5398 k = 0.1429 0.5000-0.0000 ( 1270 PWs) bands (ev): -43.6784 -43.6784 -18.0218 -18.0218 -10.4967 -10.4967 -10.1719 -10.1719 12.4117 12.4117 12.8893 12.8893 13.4049 13.4049 14.3025 14.3025 15.0184 15.0184 15.3771 15.3771 17.1799 17.1799 17.9363 17.9363 19.6084 19.6084 20.2382 20.2382 22.5701 22.5701 k = 0.1531 0.5000-0.0000 ( 1270 PWs) bands (ev): -43.6780 -43.6780 -18.0230 -18.0230 -10.4975 -10.4975 -10.1762 -10.1762 12.3951 12.3951 12.8439 12.8439 13.4438 13.4438 14.2896 14.2896 14.9968 14.9968 15.4068 15.4068 17.1640 17.1640 18.0253 18.0253 19.6505 19.6505 20.3329 20.3329 22.6018 22.6018 k = 0.1633 0.5000-0.0000 ( 1274 PWs) bands (ev): -43.6776 -43.6776 -18.0243 -18.0243 -10.4985 -10.4985 -10.1805 -10.1805 12.3758 12.3758 12.7975 12.7975 13.4867 13.4867 14.2742 14.2742 14.9640 14.9640 15.4545 15.4545 17.1485 17.1485 18.1176 18.1176 19.6894 19.6894 20.4324 20.4324 22.6345 22.6345 k = 0.1735 0.5000-0.0000 ( 1274 PWs) bands (ev): -43.6771 -43.6771 -18.0255 -18.0255 -10.4996 -10.4996 -10.1848 -10.1848 12.3542 12.3542 12.7504 12.7504 13.5328 13.5328 14.2574 14.2574 14.9245 14.9245 15.5160 15.5160 17.1335 17.1335 18.2129 18.2129 19.7249 19.7249 20.5363 20.5363 22.6683 22.6683 k = 0.1837 0.5000-0.0000 ( 1274 PWs) bands (ev): -43.6767 -43.6767 -18.0269 -18.0269 -10.5009 -10.5009 -10.1892 -10.1892 12.3304 12.3304 12.7030 12.7030 13.5811 13.5811 14.2399 14.2399 14.8816 14.8816 15.5880 15.5880 17.1193 17.1193 18.3109 18.3109 19.7567 19.7567 20.6438 20.6438 22.7028 22.7028 k = 0.1939 0.5000-0.0000 ( 1274 PWs) bands (ev): -43.6762 -43.6762 -18.0282 -18.0282 -10.5024 -10.5024 -10.1934 -10.1934 12.3048 12.3048 12.6553 12.6553 13.6301 13.6301 14.2231 14.2231 14.8378 14.8378 15.6681 15.6681 17.1059 17.1059 18.4112 18.4112 19.7844 19.7844 20.7546 20.7546 22.7379 22.7379 k = 0.2041 0.5000-0.0000 ( 1274 PWs) bands (ev): -43.6758 -43.6758 -18.0296 -18.0296 -10.5040 -10.5040 -10.1976 -10.1976 12.2774 12.2774 12.6078 12.6078 13.6778 13.6778 14.2084 14.2084 14.7952 14.7952 15.7549 15.7549 17.0935 17.0935 18.5135 18.5135 19.8078 19.8078 20.8680 20.8680 22.7735 22.7735 k = 0.2143 0.5000-0.0000 ( 1274 PWs) bands (ev): -43.6753 -43.6753 -18.0311 -18.0311 -10.5059 -10.5059 -10.2016 -10.2016 12.2488 12.2488 12.5606 12.5606 13.7217 13.7217 14.1974 14.1974 14.7554 14.7554 15.8472 15.8472 17.0821 17.0821 18.6174 18.6174 19.8265 19.8265 20.9836 20.9836 22.8094 22.8094 k = 0.2245 0.5000-0.0000 ( 1270 PWs) bands (ev): -43.6748 -43.6748 -18.0325 -18.0325 -10.5079 -10.5079 -10.2055 -10.2055 12.2190 12.2190 12.5139 12.5139 13.7586 13.7586 14.1920 14.1920 14.7208 14.7208 15.9442 15.9442 17.0719 17.0719 18.7226 18.7226 19.8403 19.8403 21.1010 21.1010 22.8454 22.8454 k = 0.2347 0.5000-0.0000 ( 1270 PWs) bands (ev): -43.6743 -43.6743 -18.0339 -18.0339 -10.5102 -10.5102 -10.2092 -10.2092 12.1883 12.1883 12.4678 12.4678 13.7852 13.7852 14.1929 14.1929 14.6941 14.6941 16.0451 16.0451 17.0630 17.0630 18.8287 18.8287 19.8489 19.8489 21.2197 21.2197 22.8813 22.8813 k = 0.2449 0.5000-0.0000 ( 1270 PWs) bands (ev): -43.6738 -43.6738 -18.0354 -18.0354 -10.5127 -10.5127 -10.2128 -10.2128 12.1570 12.1570 12.4225 12.4225 13.7996 13.7996 14.1986 14.1986 14.6791 14.6791 16.1493 16.1493 17.0557 17.0557 18.9355 18.9355 19.8520 19.8520 21.3393 21.3393 22.9171 22.9171 k = 0.2551 0.5000-0.0000 ( 1276 PWs) bands (ev): -43.6734 -43.6734 -18.0371 -18.0371 -10.5155 -10.5155 -10.2162 -10.2162 12.1253 12.1253 12.3782 12.3782 13.8022 13.8022 14.2046 14.2046 14.6804 14.6804 16.2558 16.2558 17.0501 17.0501 19.0424 19.0424 19.8493 19.8493 21.4594 21.4594 22.9526 22.9526 k = 0.2653 0.5000-0.0000 ( 1276 PWs) bands (ev): -43.6729 -43.6729 -18.0386 -18.0386 -10.5184 -10.5184 -10.2193 -10.2193 12.0934 12.0934 12.3349 12.3349 13.7951 13.7951 14.2053 14.2053 14.7013 14.7013 16.3639 16.3639 17.0468 17.0468 19.1491 19.1491 19.8407 19.8407 21.5798 21.5798 22.9876 22.9876 k = 0.2755 0.5000-0.0000 ( 1276 PWs) bands (ev): -43.6724 -43.6724 -18.0401 -18.0401 -10.5214 -10.5214 -10.2221 -10.2221 12.0615 12.0615 12.2928 12.2928 13.7809 13.7809 14.1976 14.1976 14.7428 14.7428 16.4722 16.4722 17.0466 17.0466 19.2551 19.2551 19.8259 19.8259 21.6998 21.6998 23.0219 23.0219 k = 0.2857 0.5000-0.0000 ( 1276 PWs) bands (ev): -43.6719 -43.6719 -18.0415 -18.0415 -10.5246 -10.5246 -10.2248 -10.2248 12.0298 12.0298 12.2520 12.2520 13.7619 13.7619 14.1815 14.1815 14.8025 14.8025 16.5788 16.5788 17.0511 17.0511 19.3599 19.3599 19.8050 19.8050 21.8193 21.8193 23.0555 23.0555 k = 0.2959 0.5000-0.0000 ( 1278 PWs) bands (ev): -43.6715 -43.6715 -18.0430 -18.0430 -10.5279 -10.5279 -10.2272 -10.2272 11.9986 11.9986 12.2126 12.2126 13.7398 13.7398 14.1591 14.1591 14.8767 14.8767 16.6801 16.6801 17.0634 17.0634 19.4628 19.4628 19.7780 19.7780 21.9378 21.9378 23.0882 23.0882 k = 0.3061 0.5000-0.0000 ( 1278 PWs) bands (ev): -43.6710 -43.6710 -18.0445 -18.0445 -10.5313 -10.5313 -10.2294 -10.2294 11.9678 11.9678 12.1746 12.1746 13.7159 13.7159 14.1325 14.1325 14.9618 14.9618 16.7700 16.7700 17.0891 17.0891 19.5623 19.5623 19.7458 19.7458 22.0550 22.0550 23.1198 23.1198 k = 0.3163 0.5000-0.0000 ( 1278 PWs) bands (ev): -43.6705 -43.6705 -18.0459 -18.0459 -10.5348 -10.5348 -10.2313 -10.2313 11.9378 11.9378 12.1382 12.1382 13.6910 13.6910 14.1038 14.1038 15.0550 15.0550 16.8397 16.8397 17.1365 17.1365 19.6488 19.6488 19.7176 19.7176 22.1703 22.1703 23.1503 23.1503 k = 0.3265 0.5000-0.0000 ( 1274 PWs) bands (ev): -43.6701 -43.6701 -18.0472 -18.0472 -10.5383 -10.5383 -10.2330 -10.2330 11.9086 11.9086 12.1034 12.1034 13.6657 13.6657 14.0740 14.0740 15.1543 15.1543 16.8851 16.8851 17.2095 17.2095 19.6447 19.6447 19.7704 19.7704 22.2835 22.2835 23.1796 23.1796 k = 0.3367 0.5000-0.0000 ( 1274 PWs) bands (ev): -43.6697 -43.6697 -18.0485 -18.0485 -10.5418 -10.5418 -10.2345 -10.2345 11.8803 11.8803 12.0703 12.0703 13.6406 13.6406 14.0443 14.0443 15.2582 15.2582 16.9115 16.9115 17.3019 17.3019 19.5953 19.5953 19.8586 19.8586 22.3941 22.3941 23.2074 23.2074 k = 0.3469 0.5000-0.0000 ( 1282 PWs) bands (ev): -43.6693 -43.6693 -18.0499 -18.0499 -10.5455 -10.5455 -10.2359 -10.2359 11.8532 11.8532 12.0388 12.0388 13.6159 13.6159 14.0150 14.0150 15.3653 15.3653 16.9275 16.9275 17.4051 17.4051 19.5369 19.5369 19.9454 19.9454 22.5016 22.5016 23.2337 23.2337 k = 0.3571 0.5000-0.0000 ( 1282 PWs) bands (ev): -43.6689 -43.6689 -18.0512 -18.0512 -10.5489 -10.5489 -10.2371 -10.2371 11.8273 11.8273 12.0092 12.0092 13.5919 13.5919 13.9868 13.9868 15.4747 15.4747 16.9384 16.9384 17.5129 17.5129 19.4722 19.4722 20.0279 20.0279 22.6056 22.6056 23.2584 23.2584 k = 0.3673 0.5000-0.0000 ( 1286 PWs) bands (ev): -43.6685 -43.6685 -18.0524 -18.0524 -10.5524 -10.5524 -10.2381 -10.2381 11.8028 11.8028 11.9815 11.9815 13.5689 13.5689 13.9598 13.9598 15.5854 15.5854 16.9473 16.9473 17.6220 17.6220 19.4019 19.4019 20.1053 20.1053 22.7056 22.7056 23.2815 23.2815 k = 0.3776 0.5000-0.0000 ( 1286 PWs) bands (ev): -43.6682 -43.6682 -18.0535 -18.0535 -10.5557 -10.5557 -10.2389 -10.2389 11.7796 11.7796 11.9556 11.9556 13.5471 13.5471 13.9343 13.9343 15.6962 15.6962 16.9556 16.9556 17.7303 17.7303 19.3267 19.3267 20.1768 20.1768 22.8011 22.8011 23.3028 23.3028 k = 0.3878 0.5000-0.0000 ( 1286 PWs) bands (ev): -43.6678 -43.6678 -18.0545 -18.0545 -10.5588 -10.5588 -10.2395 -10.2395 11.7580 11.7580 11.9317 11.9317 13.5265 13.5265 13.9105 13.9105 15.8062 15.8062 16.9644 16.9644 17.8362 17.8362 19.2472 19.2472 20.2419 20.2419 22.8916 22.8916 23.3224 23.3224 k = 0.3980 0.5000-0.0000 ( 1278 PWs) bands (ev): -43.6675 -43.6675 -18.0553 -18.0553 -10.5617 -10.5617 -10.2400 -10.2400 11.7380 11.7380 11.9098 11.9098 13.5074 13.5074 13.8885 13.8885 15.9142 15.9142 16.9747 16.9747 17.9385 17.9385 19.1645 19.1645 20.3002 20.3002 22.9765 22.9765 23.3403 23.3403 k = 0.4082 0.5000-0.0000 ( 1274 PWs) bands (ev): -43.6672 -43.6672 -18.0561 -18.0561 -10.5644 -10.5644 -10.2404 -10.2404 11.7197 11.7197 11.8898 11.8898 13.4898 13.4898 13.8684 13.8684 16.0185 16.0185 16.9869 16.9869 18.0360 18.0360 19.0793 19.0793 20.3515 20.3515 23.0554 23.0554 23.3564 23.3564 k = 0.4184 0.5000-0.0000 ( 1278 PWs) bands (ev): -43.6670 -43.6670 -18.0570 -18.0570 -10.5670 -10.5670 -10.2408 -10.2408 11.7031 11.7031 11.8718 11.8718 13.4738 13.4738 13.8502 13.8502 16.1177 16.1177 17.0020 17.0020 18.1276 18.1276 18.9928 18.9928 20.3957 20.3957 23.1275 23.1275 23.3708 23.3708 k = 0.4286 0.5000-0.0000 ( 1278 PWs) bands (ev): -43.6668 -43.6668 -18.0577 -18.0577 -10.5693 -10.5693 -10.2411 -10.2411 11.6884 11.6884 11.8559 11.8559 13.4596 13.4596 13.8340 13.8340 16.2096 16.2096 17.0205 17.0205 18.2120 18.2120 18.9066 18.9066 20.4329 20.4329 23.1924 23.1924 23.3837 23.3837 k = 0.4388 0.5000-0.0000 ( 1274 PWs) bands (ev): -43.6665 -43.6665 -18.0583 -18.0583 -10.5713 -10.5713 -10.2413 -10.2413 11.6755 11.6755 11.8421 11.8421 13.4471 13.4471 13.8199 13.8199 16.2923 16.2923 17.0428 17.0428 18.2881 18.2881 18.8226 18.8226 20.4635 20.4635 23.2494 23.2494 23.3952 23.3952 k = 0.4490 0.5000-0.0000 ( 1276 PWs) bands (ev): -43.6664 -43.6664 -18.0589 -18.0589 -10.5731 -10.5731 -10.2415 -10.2415 11.6645 11.6645 11.8304 11.8304 13.4364 13.4364 13.8080 13.8080 16.3637 16.3637 17.0689 17.0689 18.3546 18.3546 18.7430 18.7430 20.4878 20.4878 23.2978 23.2978 23.4056 23.4056 k = 0.4592 0.5000-0.0000 ( 1276 PWs) bands (ev): -43.6662 -43.6662 -18.0593 -18.0593 -10.5745 -10.5745 -10.2417 -10.2417 11.6555 11.6555 11.8208 11.8208 13.4277 13.4277 13.7981 13.7981 16.4224 16.4224 17.0976 17.0976 18.4101 18.4101 18.6710 18.6710 20.5064 20.5064 23.3368 23.3368 23.4153 23.4153 k = 0.4694 0.5000-0.0000 ( 1272 PWs) bands (ev): -43.6661 -43.6661 -18.0596 -18.0596 -10.5756 -10.5756 -10.2417 -10.2417 11.6484 11.6484 11.8133 11.8133 13.4208 13.4208 13.7905 13.7905 16.4675 16.4675 17.1264 17.1264 18.4525 18.4525 18.6110 18.6110 20.5200 20.5200 23.3654 23.3654 23.4250 23.4250 k = 0.4796 0.5000-0.0000 ( 1268 PWs) bands (ev): -43.6660 -43.6660 -18.0597 -18.0597 -10.5764 -10.5764 -10.2417 -10.2417 11.6434 11.6434 11.8080 11.8080 13.4159 13.4159 13.7850 13.7850 16.4991 16.4991 17.1515 17.1515 18.4780 18.4780 18.5695 18.5695 20.5291 20.5291 23.3836 23.3836 23.4344 23.4344 k = 0.4898 0.5000-0.0000 ( 1260 PWs) bands (ev): -43.6660 -43.6660 -18.0597 -18.0597 -10.5767 -10.5767 -10.2416 -10.2416 11.6403 11.6403 11.8047 11.8047 13.4129 13.4129 13.7817 13.7817 16.5176 16.5176 17.1690 17.1690 18.4835 18.4835 18.5528 18.5528 20.5344 20.5344 23.3929 23.3929 23.4417 23.4417 k = 0.5000 0.5000-0.0000 ( 1260 PWs) bands (ev): -43.6660 -43.6660 -18.0598 -18.0598 -10.5769 -10.5769 -10.2417 -10.2417 11.6393 11.6393 11.8037 11.8037 13.4119 13.4119 13.7806 13.7806 16.5238 16.5238 17.1752 17.1752 18.4815 18.4815 18.5508 18.5508 20.5361 20.5361 23.3957 23.3957 23.4444 23.4444 k = 0.5000 0.5000-0.0000 ( 1260 PWs) bands (ev): -43.6660 -43.6660 -18.0598 -18.0598 -10.5769 -10.5769 -10.2417 -10.2417 11.6393 11.6393 11.8037 11.8037 13.4119 13.4119 13.7806 13.7806 16.5238 16.5238 17.1752 17.1752 18.4815 18.4815 18.5508 18.5508 20.5361 20.5361 23.3957 23.3957 23.4444 23.4444 k = 0.4928 0.4928-0.0000 ( 1260 PWs) bands (ev): -43.6660 -43.6660 -18.0597 -18.0597 -10.5767 -10.5767 -10.2416 -10.2416 11.6403 11.6403 11.8048 11.8048 13.4129 13.4129 13.7817 13.7817 16.5176 16.5176 17.1688 17.1688 18.4846 18.4846 18.5518 18.5518 20.5344 20.5344 23.3928 23.3928 23.4417 23.4417 k = 0.4855 0.4855-0.0000 ( 1268 PWs) bands (ev): -43.6660 -43.6660 -18.0597 -18.0597 -10.5764 -10.5764 -10.2417 -10.2417 11.6433 11.6433 11.8080 11.8080 13.4159 13.4159 13.7850 13.7850 16.4994 16.4994 17.1497 17.1497 18.4925 18.4925 18.5561 18.5561 20.5292 20.5292 23.3825 23.3825 23.4353 23.4353 k = 0.4783 0.4783-0.0000 ( 1276 PWs) bands (ev): -43.6661 -43.6661 -18.0596 -18.0596 -10.5757 -10.5757 -10.2417 -10.2417 11.6482 11.6482 11.8136 11.8136 13.4208 13.4208 13.7906 13.7906 16.4697 16.4697 17.1184 17.1184 18.5004 18.5004 18.5678 18.5678 20.5204 20.5204 23.3612 23.3612 23.4289 23.4289 k = 0.4710 0.4710-0.0000 ( 1280 PWs) bands (ev): -43.6663 -43.6663 -18.0594 -18.0594 -10.5745 -10.5745 -10.2417 -10.2417 11.6547 11.6547 11.8216 11.8216 13.4277 13.4277 13.7984 13.7984 16.4294 16.4294 17.0754 17.0754 18.5034 18.5034 18.5910 18.5910 20.5079 20.5079 23.3275 23.3275 23.4243 23.4243 k = 0.4638 0.4638-0.0000 ( 1284 PWs) bands (ev): -43.6664 -43.6664 -18.0590 -18.0590 -10.5731 -10.5731 -10.2417 -10.2417 11.6625 11.6625 11.8322 11.8322 13.4364 13.4364 13.8084 13.8084 16.3794 16.3794 17.0214 17.0214 18.5012 18.5012 18.6249 18.6249 20.4914 20.4914 23.2823 23.2823 23.4210 23.4210 k = 0.4565 0.4565-0.0000 ( 1284 PWs) bands (ev): -43.6666 -43.6666 -18.0585 -18.0585 -10.5712 -10.5712 -10.2415 -10.2415 11.6712 11.6712 11.8457 11.8457 13.4470 13.4470 13.8206 13.8206 16.3210 16.3210 16.9574 16.9574 18.4954 18.4954 18.6666 18.6666 20.4709 20.4709 23.2267 23.2267 23.4185 23.4185 k = 0.4493 0.4493-0.0000 ( 1280 PWs) bands (ev): -43.6668 -43.6668 -18.0577 -18.0577 -10.5690 -10.5690 -10.2413 -10.2413 11.6805 11.6805 11.8623 11.8623 13.4592 13.4592 13.8351 13.8351 16.2552 16.2552 16.8843 16.8843 18.4873 18.4873 18.7138 18.7138 20.4461 20.4461 23.1619 23.1619 23.4162 23.4162 k = 0.4420 0.4420-0.0000 ( 1280 PWs) bands (ev): -43.6670 -43.6670 -18.0570 -18.0570 -10.5665 -10.5665 -10.2411 -10.2411 11.6899 11.6899 11.8821 11.8821 13.4731 13.4731 13.8518 13.8518 16.1830 16.1830 16.8031 16.8031 18.4776 18.4776 18.7648 18.7648 20.4171 20.4171 23.0888 23.0888 23.4140 23.4140 k = 0.4348 0.4348-0.0000 ( 1280 PWs) bands (ev): -43.6673 -43.6673 -18.0561 -18.0561 -10.5636 -10.5636 -10.2409 -10.2409 11.6991 11.6991 11.9053 11.9053 13.4886 13.4886 13.8707 13.8707 16.1054 16.1054 16.7149 16.7149 18.4666 18.4666 18.8183 18.8183 20.3838 20.3838 23.0082 23.0082 23.4119 23.4119 k = 0.4275 0.4275-0.0000 ( 1284 PWs) bands (ev): -43.6676 -43.6676 -18.0553 -18.0553 -10.5605 -10.5605 -10.2406 -10.2406 11.7077 11.7077 11.9318 11.9318 13.5054 13.5054 13.8917 13.8917 16.0233 16.0233 16.6207 16.6207 18.4547 18.4547 18.8734 18.8734 20.3464 20.3464 22.9210 22.9210 23.4097 23.4097 k = 0.4203 0.4203-0.0000 ( 1282 PWs) bands (ev): -43.6679 -43.6679 -18.0542 -18.0542 -10.5570 -10.5570 -10.2403 -10.2403 11.7156 11.7156 11.9616 11.9616 13.5237 13.5237 13.9147 13.9147 15.9375 15.9375 16.5217 16.5217 18.4419 18.4419 18.9291 18.9291 20.3051 20.3051 22.8281 22.8281 23.4075 23.4075 k = 0.4130 0.4130-0.0000 ( 1286 PWs) bands (ev): -43.6683 -43.6683 -18.0531 -18.0531 -10.5533 -10.5533 -10.2400 -10.2400 11.7224 11.7224 11.9945 11.9945 13.5432 13.5432 13.9397 13.9397 15.8485 15.8485 16.4187 16.4187 18.4286 18.4286 18.9847 18.9847 20.2602 20.2602 22.7303 22.7303 23.4052 23.4052 k = 0.4058 0.4058-0.0000 ( 1286 PWs) bands (ev): -43.6686 -43.6686 -18.0519 -18.0519 -10.5491 -10.5491 -10.2396 -10.2396 11.7280 11.7280 12.0302 12.0302 13.5639 13.5639 13.9663 13.9663 15.7572 15.7572 16.3130 16.3130 18.4150 18.4150 19.0396 19.0396 20.2121 20.2121 22.6284 22.6284 23.4030 23.4030 k = 0.3986 0.3986-0.0000 ( 1278 PWs) bands (ev): -43.6690 -43.6690 -18.0504 -18.0504 -10.5446 -10.5446 -10.2390 -10.2390 11.7322 11.7322 12.0684 12.0684 13.5858 13.5858 13.9944 13.9944 15.6640 15.6640 16.2056 16.2056 18.4013 18.4013 19.0932 19.0932 20.1613 20.1613 22.5232 22.5232 23.4007 23.4007 k = 0.3913 0.3913-0.0000 ( 1286 PWs) bands (ev): -43.6695 -43.6695 -18.0492 -18.0492 -10.5399 -10.5399 -10.2386 -10.2386 11.7347 11.7347 12.1088 12.1088 13.6087 13.6087 14.0235 14.0235 15.5695 15.5695 16.0975 16.0975 18.3877 18.3877 19.1452 19.1452 20.1083 20.1083 22.4155 22.4155 23.3985 23.3985 k = 0.3841 0.3841-0.0000 ( 1286 PWs) bands (ev): -43.6699 -43.6699 -18.0477 -18.0477 -10.5349 -10.5349 -10.2380 -10.2380 11.7354 11.7354 12.1510 12.1510 13.6326 13.6326 14.0533 14.0533 15.4744 15.4744 15.9896 15.9896 18.3744 18.3744 19.1950 19.1950 20.0537 20.0537 22.3061 22.3061 23.3964 23.3964 k = 0.3768 0.3768-0.0000 ( 1290 PWs) bands (ev): -43.6704 -43.6704 -18.0462 -18.0462 -10.5295 -10.5295 -10.2374 -10.2374 11.7339 11.7339 12.1946 12.1946 13.6575 13.6575 14.0830 14.0830 15.3796 15.3796 15.8831 15.8831 18.3618 18.3618 19.2424 19.2424 19.9981 19.9981 22.1956 22.1956 23.3944 23.3944 k = 0.3696 0.3696-0.0000 ( 1286 PWs) bands (ev): -43.6709 -43.6709 -18.0444 -18.0444 -10.5238 -10.5238 -10.2367 -10.2367 11.7300 11.7300 12.2393 12.2393 13.6833 13.6833 14.1118 14.1118 15.2858 15.2858 15.7788 15.7788 18.3502 18.3502 19.2870 19.2870 19.9422 19.9422 22.0848 22.0848 23.3925 23.3925 k = 0.3623 0.3623-0.0000 ( 1286 PWs) bands (ev): -43.6715 -43.6715 -18.0427 -18.0427 -10.5178 -10.5178 -10.2360 -10.2360 11.7232 11.7232 12.2846 12.2846 13.7101 13.7101 14.1387 14.1387 15.1941 15.1941 15.6777 15.6777 18.3399 18.3399 19.3285 19.3285 19.8867 19.8867 21.9743 21.9743 23.3907 23.3907 k = 0.3551 0.3551-0.0000 ( 1286 PWs) bands (ev): -43.6720 -43.6720 -18.0409 -18.0409 -10.5115 -10.5115 -10.2351 -10.2351 11.7132 11.7132 12.3301 12.3301 13.7377 13.7377 14.1619 14.1619 15.1060 15.1060 15.5809 15.5809 18.3312 18.3312 19.3663 19.3663 19.8325 19.8325 21.8648 21.8648 23.3891 23.3891 k = 0.3478 0.3478-0.0000 ( 1278 PWs) bands (ev): -43.6726 -43.6726 -18.0388 -18.0388 -10.5049 -10.5049 -10.2342 -10.2342 11.6997 11.6997 12.3752 12.3752 13.7664 13.7664 14.1795 14.1795 15.0233 15.0233 15.4894 15.4894 18.3246 18.3246 19.3999 19.3999 19.7805 19.7805 21.7568 21.7568 23.3877 23.3877 k = 0.3406 0.3406-0.0000 ( 1276 PWs) bands (ev): -43.6732 -43.6732 -18.0367 -18.0367 -10.4980 -10.4980 -10.2332 -10.2332 11.6821 11.6821 12.4196 12.4196 13.7959 13.7959 14.1890 14.1890 14.9478 14.9478 15.4046 15.4046 18.3205 18.3205 19.4281 19.4281 19.7324 19.7324 21.6509 21.6509 23.3865 23.3865 k = 0.3333 0.3333-0.0000 ( 1276 PWs) bands (ev): -43.6738 -43.6738 -18.0347 -18.0347 -10.4909 -10.4909 -10.2322 -10.2322 11.6601 11.6601 12.4626 12.4626 13.8263 13.8263 14.1876 14.1876 14.8815 14.8815 15.3281 15.3281 18.3194 18.3194 19.4491 19.4491 19.6905 19.6905 21.5479 21.5479 23.3856 23.3856 k = 0.3261 0.3261-0.0000 ( 1276 PWs) bands (ev): -43.6744 -43.6744 -18.0325 -18.0325 -10.4835 -10.4835 -10.2310 -10.2310 11.6334 11.6334 12.5037 12.5037 13.8577 13.8577 14.1727 14.1727 14.8255 14.8255 15.2617 15.2617 18.3216 18.3216 19.4592 19.4592 19.6587 19.6587 21.4481 21.4481 23.3849 23.3849 k = 0.3188 0.3188-0.0000 ( 1276 PWs) bands (ev): -43.6751 -43.6751 -18.0303 -18.0303 -10.4759 -10.4759 -10.2299 -10.2299 11.6015 11.6015 12.5425 12.5425 13.8899 13.8899 14.1435 14.1435 14.7792 14.7792 15.2078 15.2078 18.3277 18.3277 19.4548 19.4548 19.6411 19.6411 21.3521 21.3521 23.3844 23.3844 k = 0.3116 0.3116-0.0000 ( 1278 PWs) bands (ev): -43.6757 -43.6757 -18.0281 -18.0281 -10.4682 -10.4682 -10.2286 -10.2286 11.5642 11.5642 12.5784 12.5784 13.9229 13.9229 14.1008 14.1008 14.7399 14.7399 15.1682 15.1682 18.3382 18.3382 19.4362 19.4362 19.6379 19.6379 21.2606 21.2606 23.3843 23.3843 k = 0.3043 0.3043-0.0000 ( 1276 PWs) bands (ev): -43.6764 -43.6764 -18.0257 -18.0257 -10.4600 -10.4600 -10.2273 -10.2273 11.5213 11.5213 12.6110 12.6110 13.9566 13.9566 14.0473 14.0473 14.7043 14.7043 15.1444 15.1444 18.3534 18.3534 19.4087 19.4087 19.6440 19.6440 21.1741 21.1741 23.3845 23.3845 k = 0.2971 0.2971-0.0000 ( 1276 PWs) bands (ev): -43.6771 -43.6771 -18.0233 -18.0233 -10.4517 -10.4517 -10.2259 -10.2259 11.4726 11.4726 12.6398 12.6398 13.9798 13.9798 13.9970 13.9970 14.6699 14.6699 15.1359 15.1359 18.3740 18.3740 19.3777 19.3777 19.6544 19.6544 21.0930 21.0930 23.3851 23.3851 k = 0.2899 0.2899-0.0000 ( 1282 PWs) bands (ev): -43.6778 -43.6778 -18.0210 -18.0210 -10.4433 -10.4433 -10.2245 -10.2245 11.4181 11.4181 12.6645 12.6645 13.9170 13.9170 14.0282 14.0282 14.6359 14.6359 15.1405 15.1405 18.4003 18.4003 19.3465 19.3465 19.6663 19.6663 21.0179 21.0179 23.3860 23.3860 k = 0.2826 0.2826-0.0000 ( 1282 PWs) bands (ev): -43.6785 -43.6785 -18.0186 -18.0186 -10.4347 -10.4347 -10.2229 -10.2229 11.3579 11.3579 12.6848 12.6848 13.8469 13.8469 14.0640 14.0640 14.6030 14.6030 15.1552 15.1552 18.4327 18.4327 19.3169 19.3169 19.6781 19.6781 20.9493 20.9493 23.3873 23.3873 k = 0.2754 0.2754-0.0000 ( 1282 PWs) bands (ev): -43.6793 -43.6793 -18.0160 -18.0160 -10.4258 -10.4258 -10.2213 -10.2213 11.2923 11.2923 12.7005 12.7005 13.7749 13.7749 14.1006 14.1006 14.5726 14.5726 15.1772 15.1772 18.4714 18.4714 19.2898 19.2898 19.6893 19.6893 20.8878 20.8878 23.3891 23.3891 k = 0.2681 0.2681-0.0000 ( 1276 PWs) bands (ev): -43.6800 -43.6800 -18.0133 -18.0133 -10.4167 -10.4167 -10.2195 -10.2195 11.2215 11.2215 12.7116 12.7116 13.7019 13.7019 14.1374 14.1374 14.5455 14.5455 15.2037 15.2037 18.5169 18.5169 19.2658 19.2658 19.6995 19.6995 20.8338 20.8338 23.3913 23.3913 k = 0.2609 0.2609-0.0000 ( 1280 PWs) bands (ev): -43.6807 -43.6807 -18.0108 -18.0108 -10.4076 -10.4076 -10.2178 -10.2178 11.1459 11.1459 12.7180 12.7180 13.6287 13.6287 14.1745 14.1745 14.5226 14.5226 15.2330 15.2330 18.5691 18.5691 19.2455 19.2455 19.7087 19.7087 20.7879 20.7879 23.3940 23.3940 k = 0.2536 0.2536-0.0000 ( 1286 PWs) bands (ev): -43.6815 -43.6815 -18.0083 -18.0083 -10.3984 -10.3984 -10.2161 -10.2161 11.0659 11.0659 12.7200 12.7200 13.5555 13.5555 14.2114 14.2114 14.5042 14.5042 15.2633 15.2633 18.6281 18.6281 19.2293 19.2293 19.7168 19.7168 20.7504 20.7504 23.3971 23.3971 k = 0.2464 0.2464-0.0000 ( 1286 PWs) bands (ev): -43.6823 -43.6823 -18.0057 -18.0057 -10.3890 -10.3890 -10.2142 -10.2142 10.9823 10.9823 12.7176 12.7176 13.4828 13.4828 14.2481 14.2481 14.4904 14.4904 15.2936 15.2936 18.6937 18.6937 19.2175 19.2175 19.7239 19.7239 20.7219 20.7219 23.4008 23.4008 k = 0.2391 0.2391-0.0000 ( 1285 PWs) bands (ev): -43.6830 -43.6830 -18.0030 -18.0030 -10.3795 -10.3795 -10.2122 -10.2122 10.8954 10.8954 12.7112 12.7112 13.4106 13.4106 14.2841 14.2841 14.4812 14.4812 15.3229 15.3229 18.7653 18.7653 19.2108 19.2108 19.7301 19.7301 20.7027 20.7027 23.4050 23.4050 k = 0.2319 0.2319-0.0000 ( 1283 PWs) bands (ev): -43.6838 -43.6838 -18.0003 -18.0003 -10.3699 -10.3699 -10.2102 -10.2102 10.8058 10.8058 12.7010 12.7010 13.3393 13.3393 14.3193 14.3193 14.4763 14.4763 15.3506 15.3506 18.8417 18.8417 19.2104 19.2104 19.7355 19.7355 20.6932 20.6932 23.4098 23.4098 k = 0.2246 0.2246-0.0000 ( 1283 PWs) bands (ev): -43.6845 -43.6845 -17.9976 -17.9976 -10.3603 -10.3603 -10.2082 -10.2082 10.7142 10.7142 12.6874 12.6874 13.2688 13.2688 14.3531 14.3531 14.4755 14.4755 15.3761 15.3761 18.9205 18.9205 19.2187 19.2187 19.7402 19.7402 20.6936 20.6936 23.4150 23.4150 k = 0.2174 0.2174-0.0000 ( 1283 PWs) bands (ev): -43.6853 -43.6853 -17.9949 -17.9949 -10.3506 -10.3506 -10.2061 -10.2061 10.6211 10.6211 12.6708 12.6708 13.1994 13.1994 14.3850 14.3850 14.4788 14.4788 15.3990 15.3990 18.9964 18.9964 19.2406 19.2406 19.7444 19.7444 20.7042 20.7042 23.4209 23.4209 k = 0.2101 0.2101-0.0000 ( 1279 PWs) bands (ev): -43.6860 -43.6860 -17.9921 -17.9921 -10.3409 -10.3409 -10.2039 -10.2039 10.5271 10.5271 12.6515 12.6515 13.1311 13.1311 14.4143 14.4143 14.4865 14.4865 15.4192 15.4192 19.0604 19.0604 19.2846 19.2846 19.7483 19.7483 20.7252 20.7252 23.4273 23.4273 k = 0.2029 0.2029-0.0000 ( 1279 PWs) bands (ev): -43.6867 -43.6867 -17.9895 -17.9895 -10.3312 -10.3312 -10.2018 -10.2018 10.4326 10.4326 12.6299 12.6299 13.0642 13.0642 14.4396 14.4396 14.4990 14.4990 15.4365 15.4365 19.1062 19.1062 19.3566 19.3566 19.7522 19.7522 20.7567 20.7567 23.4342 23.4342 k = 0.1957 0.1957-0.0000 ( 1279 PWs) bands (ev): -43.6875 -43.6875 -17.9868 -17.9868 -10.3216 -10.3216 -10.1996 -10.1996 10.3381 10.3381 12.6062 12.6062 12.9987 12.9987 14.4603 14.4603 14.5165 14.5165 15.4508 15.4508 19.1378 19.1378 19.4514 19.4514 19.7567 19.7567 20.7987 20.7987 23.4417 23.4417 k = 0.1884 0.1884-0.0000 ( 1275 PWs) bands (ev): -43.6882 -43.6882 -17.9841 -17.9841 -10.3120 -10.3120 -10.1973 -10.1973 10.2441 10.2441 12.5808 12.5808 12.9347 12.9347 14.4773 14.4773 14.5376 14.5376 15.4623 15.4623 19.1627 19.1627 19.5591 19.5591 19.7638 19.7638 20.8512 20.8512 23.4498 23.4498 k = 0.1812 0.1812-0.0000 ( 1277 PWs) bands (ev): -43.6889 -43.6889 -17.9816 -17.9816 -10.3025 -10.3025 -10.1952 -10.1952 10.1510 10.1510 12.5541 12.5541 12.8723 12.8723 14.4922 14.4922 14.5603 14.5603 15.4711 15.4711 19.1856 19.1856 19.6651 19.6651 19.7830 19.7830 20.9141 20.9141 23.4583 23.4583 k = 0.1739 0.1739-0.0000 ( 1281 PWs) bands (ev): -43.6896 -43.6896 -17.9791 -17.9791 -10.2932 -10.2932 -10.1930 -10.1930 10.0591 10.0591 12.5262 12.5262 12.8117 12.8117 14.5062 14.5062 14.5829 14.5829 15.4773 15.4773 19.2085 19.2085 19.7256 19.7256 19.8553 19.8553 20.9871 20.9871 23.4674 23.4674 k = 0.1667 0.1667-0.0000 ( 1279 PWs) bands (ev): -43.6903 -43.6903 -17.9765 -17.9765 -10.2839 -10.2839 -10.1908 -10.1908 9.9689 9.9689 12.4976 12.4976 12.7529 12.7529 14.5199 14.5199 14.6044 14.6044 15.4813 15.4813 19.2325 19.2325 19.7413 19.7413 19.9785 19.9785 21.0701 21.0701 23.4771 23.4771 k = 0.1594 0.1594-0.0000 ( 1279 PWs) bands (ev): -43.6909 -43.6909 -17.9741 -17.9741 -10.2748 -10.2748 -10.1887 -10.1887 9.8806 9.8806 12.4683 12.4683 12.6960 12.6960 14.5334 14.5334 14.6244 14.6244 15.4834 15.4834 19.2577 19.2577 19.7470 19.7470 20.1166 20.1166 21.1626 21.1626 23.4872 23.4872 k = 0.1522 0.1522-0.0000 ( 1285 PWs) bands (ev): -43.6916 -43.6916 -17.9718 -17.9718 -10.2660 -10.2660 -10.1866 -10.1866 9.7945 9.7945 12.4388 12.4388 12.6412 12.6412 14.5468 14.5468 14.6426 14.6426 15.4838 15.4838 19.2844 19.2844 19.7502 19.7502 20.2617 20.2617 21.2643 21.2643 23.4978 23.4978 k = 0.1449 0.1449-0.0000 ( 1285 PWs) bands (ev): -43.6922 -43.6922 -17.9694 -17.9694 -10.2572 -10.2572 -10.1845 -10.1845 9.7110 9.7110 12.4093 12.4093 12.5884 12.5884 14.5601 14.5601 14.6589 14.6589 15.4829 15.4829 19.3125 19.3125 19.7524 19.7524 20.4114 20.4114 21.3746 21.3746 23.5088 23.5088 k = 0.1377 0.1377-0.0000 ( 1289 PWs) bands (ev): -43.6928 -43.6928 -17.9672 -17.9672 -10.2488 -10.2488 -10.1825 -10.1825 9.6301 9.6301 12.3799 12.3799 12.5378 12.5378 14.5730 14.5730 14.6732 14.6732 15.4810 15.4810 19.3418 19.3418 19.7542 19.7542 20.5647 20.5647 21.4931 21.4931 23.5203 23.5203 k = 0.1304 0.1304-0.0000 ( 1293 PWs) bands (ev): -43.6934 -43.6934 -17.9651 -17.9651 -10.2407 -10.2407 -10.1805 -10.1805 9.5523 9.5523 12.3508 12.3508 12.4894 12.4894 14.5856 14.5856 14.6854 14.6854 15.4785 15.4785 19.3720 19.3720 19.7557 19.7557 20.7209 20.7209 21.6190 21.6190 23.5323 23.5323 k = 0.1232 0.1232-0.0000 ( 1293 PWs) bands (ev): -43.6940 -43.6940 -17.9630 -17.9630 -10.2327 -10.2327 -10.1785 -10.1785 9.4776 9.4776 12.3223 12.3223 12.4433 12.4433 14.5978 14.5978 14.6956 14.6956 15.4756 15.4756 19.4031 19.4031 19.7570 19.7570 20.8794 20.8794 21.7515 21.7515 23.5448 23.5448 k = 0.1159 0.1159-0.0000 ( 1289 PWs) bands (ev): -43.6945 -43.6945 -17.9609 -17.9609 -10.2250 -10.2250 -10.1766 -10.1766 9.4063 9.4063 12.2946 12.2946 12.3996 12.3996 14.6095 14.6095 14.7038 14.7038 15.4725 15.4725 19.4346 19.4346 19.7582 19.7582 21.0400 21.0400 21.8898 21.8898 23.5578 23.5578 k = 0.1087 0.1087-0.0000 ( 1289 PWs) bands (ev): -43.6950 -43.6950 -17.9589 -17.9589 -10.2176 -10.2176 -10.1748 -10.1748 9.3385 9.3385 12.2677 12.2677 12.3583 12.3583 14.6207 14.6207 14.7102 14.7102 15.4695 15.4695 19.4664 19.4664 19.7594 19.7594 21.2021 21.2021 22.0328 22.0328 23.5713 23.5713 k = 0.1014 0.1014-0.0000 ( 1289 PWs) bands (ev): -43.6955 -43.6955 -17.9571 -17.9571 -10.2106 -10.2106 -10.1730 -10.1730 9.2745 9.2745 12.2419 12.2419 12.3194 12.3194 14.6312 14.6312 14.7148 14.7148 15.4667 15.4667 19.4981 19.4981 19.7605 19.7605 21.3654 21.3654 22.1793 22.1793 23.5856 23.5856 k = 0.0942 0.0942-0.0000 ( 1289 PWs) bands (ev): -43.6960 -43.6960 -17.9553 -17.9553 -10.2040 -10.2040 -10.1714 -10.1714 9.2142 9.2142 12.2173 12.2173 12.2830 12.2830 14.6410 14.6410 14.7178 14.7178 15.4642 15.4642 19.5294 19.5294 19.7616 19.7616 21.5298 21.5298 22.3281 22.3281 23.6008 23.6008 k = 0.0870 0.0870-0.0000 ( 1285 PWs) bands (ev): -43.6964 -43.6964 -17.9536 -17.9536 -10.1978 -10.1978 -10.1697 -10.1697 9.1580 9.1580 12.1941 12.1941 12.2491 12.2491 14.6502 14.6502 14.7194 14.7194 15.4621 15.4621 19.5600 19.5600 19.7626 19.7626 21.6949 21.6949 22.4774 22.4774 23.6173 23.6173 k = 0.0797 0.0797-0.0000 ( 1289 PWs) bands (ev): -43.6968 -43.6968 -17.9522 -17.9522 -10.1921 -10.1921 -10.1682 -10.1682 9.1058 9.1058 12.1723 12.1723 12.2178 12.2178 14.6587 14.6587 14.7198 14.7198 15.4605 15.4605 19.5895 19.5895 19.7636 19.7636 21.8605 21.8605 22.6253 22.6253 23.6355 23.6355 k = 0.0725 0.0725-0.0000 ( 1289 PWs) bands (ev): -43.6972 -43.6972 -17.9508 -17.9508 -10.1867 -10.1867 -10.1669 -10.1669 9.0578 9.0578 12.1520 12.1520 12.1891 12.1891 14.6665 14.6665 14.7193 14.7193 15.4592 15.4592 19.6178 19.6178 19.7646 19.7646 22.0262 22.0262 22.7696 22.7696 23.6562 23.6562 k = 0.0652 0.0652-0.0000 ( 1289 PWs) bands (ev): -43.6975 -43.6975 -17.9495 -17.9495 -10.1818 -10.1818 -10.1656 -10.1656 9.0141 9.0141 12.1334 12.1334 12.1631 12.1631 14.6735 14.6735 14.7180 14.7180 15.4583 15.4583 19.6444 19.6444 19.7655 19.7655 22.1919 22.1919 22.9073 22.9073 23.6807 23.6807 k = 0.0580 0.0580-0.0000 ( 1289 PWs) bands (ev): -43.6978 -43.6978 -17.9483 -17.9483 -10.1773 -10.1773 -10.1645 -10.1645 8.9748 8.9748 12.1165 12.1165 12.1397 12.1397 14.6797 14.6797 14.7161 14.7161 15.4577 15.4577 19.6691 19.6691 19.7664 19.7664 22.3570 22.3570 23.0349 23.0349 23.7104 23.7104 k = 0.0507 0.0507-0.0000 ( 1289 PWs) bands (ev): -43.6981 -43.6981 -17.9473 -17.9473 -10.1734 -10.1734 -10.1635 -10.1635 8.9399 8.9399 12.1014 12.1014 12.1190 12.1190 14.6853 14.6853 14.7140 14.7140 15.4574 15.4574 19.6915 19.6915 19.7671 19.7671 22.5212 22.5212 23.1481 23.1481 23.7474 23.7474 k = 0.0435 0.0435-0.0000 ( 1295 PWs) bands (ev): -43.6983 -43.6983 -17.9465 -17.9465 -10.1699 -10.1699 -10.1628 -10.1628 8.9095 8.9095 12.0882 12.0882 12.1011 12.1011 14.6900 14.6900 14.7117 14.7117 15.4573 15.4573 19.7116 19.7116 19.7678 19.7678 22.6838 22.6838 23.2431 23.2431 23.7931 23.7931 k = 0.0362 0.0362-0.0000 ( 1291 PWs) bands (ev): -43.6985 -43.6985 -17.9456 -17.9456 -10.1669 -10.1669 -10.1620 -10.1620 8.8837 8.8837 12.0770 12.0770 12.0858 12.0858 14.6941 14.6941 14.7094 14.7094 15.4574 15.4574 19.7290 19.7290 19.7684 19.7684 22.8440 22.8440 23.3176 23.3176 23.8469 23.8469 k = 0.0290 0.0290-0.0000 ( 1291 PWs) bands (ev): -43.6986 -43.6986 -17.9450 -17.9450 -10.1645 -10.1645 -10.1613 -10.1613 8.8626 8.8626 12.0677 12.0677 12.0733 12.0733 14.6974 14.6974 14.7074 14.7074 15.4575 15.4575 19.7435 19.7435 19.7689 19.7689 23.0004 23.0004 23.3719 23.3719 23.9049 23.9049 k = 0.0217 0.0217-0.0000 ( 1299 PWs) bands (ev): -43.6988 -43.6988 -17.9447 -17.9447 -10.1627 -10.1627 -10.1610 -10.1610 8.8461 8.8461 12.0604 12.0604 12.0636 12.0636 14.6999 14.6999 14.7056 14.7056 15.4577 15.4577 19.7549 19.7549 19.7693 19.7693 23.1505 23.1505 23.4092 23.4092 23.9606 23.9606 k = 0.0145 0.0145-0.0000 ( 1309 PWs) bands (ev): -43.6989 -43.6989 -17.9445 -17.9445 -10.1615 -10.1615 -10.1607 -10.1607 8.8343 8.8343 12.0552 12.0552 12.0566 12.0566 14.7017 14.7017 14.7043 14.7043 15.4578 15.4578 19.7632 19.7632 19.7696 19.7696 23.2889 23.2889 23.4329 23.4329 24.0067 24.0067 k = 0.0072 0.0072-0.0000 ( 1309 PWs) bands (ev): -43.6990 -43.6990 -17.9443 -17.9443 -10.1607 -10.1607 -10.1605 -10.1605 8.8272 8.8272 12.0521 12.0521 12.0524 12.0524 14.7028 14.7028 14.7035 14.7035 15.4579 15.4579 19.7682 19.7682 19.7698 19.7698 23.4013 23.4013 23.4460 23.4460 23.9315 23.9315 k = 0.0000 0.0000 0.0000 ( 1309 PWs) bands (ev): -43.6990 -43.6990 -17.9443 -17.9443 -10.1604 -10.1604 -10.1604 -10.1604 8.8248 8.8248 12.0511 12.0511 12.0511 12.0511 14.7032 14.7032 14.7032 14.7032 15.4580 15.4580 19.7699 19.7699 19.7699 19.7699 23.4502 23.4502 23.4502 23.4502 23.8870 23.8870 k = 0.0000 0.0000 0.0000 ( 1309 PWs) bands (ev): -43.6990 -43.6990 -17.9443 -17.9443 -10.1604 -10.1604 -10.1604 -10.1604 8.8248 8.8248 12.0511 12.0511 12.0511 12.0511 14.7032 14.7032 14.7032 14.7032 15.4580 15.4580 19.7699 19.7699 19.7699 19.7699 23.4502 23.4502 23.4502 23.4502 23.8870 23.8870 k = 0.0059 0.0059 0.0059 ( 1309 PWs) bands (ev): -43.6990 -43.6990 -17.9443 -17.9443 -10.1606 -10.1606 -10.1606 -10.1606 8.8271 8.8271 12.0522 12.0522 12.0523 12.0523 14.7028 14.7028 14.7035 14.7035 15.4579 15.4579 19.7689 19.7689 19.7691 19.7691 23.4016 23.4016 23.4463 23.4463 23.9311 23.9311 k = 0.0118 0.0118 0.0118 ( 1309 PWs) bands (ev): -43.6989 -43.6989 -17.9445 -17.9445 -10.1612 -10.1612 -10.1610 -10.1610 8.8341 8.8341 12.0558 12.0558 12.0559 12.0559 14.7017 14.7017 14.7043 14.7043 15.4578 15.4578 19.7660 19.7660 19.7669 19.7669 23.2890 23.2890 23.4347 23.4347 24.0023 24.0023 k = 0.0176 0.0176 0.0176 ( 1297 PWs) bands (ev): -43.6988 -43.6988 -17.9446 -17.9446 -10.1619 -10.1619 -10.1616 -10.1616 8.8458 8.8458 12.0618 12.0618 12.0620 12.0620 14.6999 14.6999 14.7056 14.7056 15.4577 15.4577 19.7612 19.7612 19.7633 19.7633 23.1488 23.1488 23.4156 23.4156 23.9546 23.9546 k = 0.0235 0.0235 0.0235 ( 1291 PWs) bands (ev): -43.6987 -43.6987 -17.9450 -17.9450 -10.1632 -10.1632 -10.1625 -10.1625 8.8621 8.8621 12.0701 12.0701 12.0705 12.0705 14.6973 14.6973 14.7073 14.7073 15.4576 15.4576 19.7546 19.7546 19.7583 19.7583 22.9949 22.9949 23.3893 23.3893 23.8887 23.8887 k = 0.0294 0.0294 0.0294 ( 1291 PWs) bands (ev): -43.6985 -43.6985 -17.9456 -17.9456 -10.1650 -10.1650 -10.1637 -10.1637 8.8830 8.8830 12.0808 12.0808 12.0813 12.0813 14.6940 14.6940 14.7092 14.7092 15.4574 15.4574 19.7463 19.7463 19.7521 19.7521 22.8324 22.8324 23.3562 23.3562 23.8098 23.8098 k = 0.0353 0.0353 0.0353 ( 1297 PWs) bands (ev): -43.6983 -43.6983 -17.9465 -17.9465 -10.1673 -10.1673 -10.1653 -10.1653 8.9085 8.9085 12.0938 12.0938 12.0945 12.0945 14.6900 14.6900 14.7113 14.7113 15.4574 15.4574 19.7364 19.7364 19.7447 19.7447 22.6637 22.6637 23.3167 23.3167 23.7210 23.7210 k = 0.0412 0.0412 0.0412 ( 1297 PWs) bands (ev): -43.6981 -43.6981 -17.9474 -17.9474 -10.1699 -10.1699 -10.1671 -10.1671 8.9385 8.9385 12.1091 12.1091 12.1101 12.1101 14.6852 14.6852 14.7132 14.7132 15.4576 15.4576 19.7250 19.7250 19.7363 19.7363 22.4902 22.4902 23.2714 23.2714 23.6248 23.6248 k = 0.0471 0.0471 0.0471 ( 1303 PWs) bands (ev): -43.6978 -43.6978 -17.9486 -17.9486 -10.1729 -10.1729 -10.1692 -10.1692 8.9729 8.9729 12.1267 12.1267 12.1279 12.1279 14.6796 14.6796 14.7148 14.7148 15.4579 15.4579 19.7124 19.7124 19.7270 19.7270 22.3133 22.3133 23.2208 23.2208 23.5234 23.5234 k = 0.0529 0.0529 0.0529 ( 1291 PWs) bands (ev): -43.6975 -43.6975 -17.9495 -17.9495 -10.1760 -10.1760 -10.1713 -10.1713 9.0118 9.0118 12.1466 12.1466 12.1480 12.1480 14.6733 14.6733 14.7158 14.7158 15.4586 15.4586 19.6987 19.6987 19.7171 19.7171 22.1341 22.1341 23.1654 23.1654 23.4184 23.4184 k = 0.0588 0.0588 0.0588 ( 1291 PWs) bands (ev): -43.6972 -43.6972 -17.9507 -17.9507 -10.1796 -10.1796 -10.1738 -10.1738 9.0549 9.0549 12.1686 12.1686 12.1703 12.1703 14.6662 14.6662 14.7159 14.7159 15.4595 15.4595 19.6842 19.6842 19.7066 19.7066 21.9537 21.9537 23.1058 23.1058 23.3111 23.3111 k = 0.0647 0.0647 0.0647 ( 1288 PWs) bands (ev): -43.6968 -43.6968 -17.9521 -17.9521 -10.1834 -10.1834 -10.1766 -10.1766 9.1023 9.1023 12.1929 12.1929 12.1948 12.1948 14.6584 14.6584 14.7150 14.7150 15.4607 15.4607 19.6689 19.6689 19.6959 19.6959 21.7732 21.7732 23.0425 23.0425 23.2025 23.2025 k = 0.0706 0.0706 0.0706 ( 1288 PWs) bands (ev): -43.6964 -43.6964 -17.9536 -17.9536 -10.1876 -10.1876 -10.1797 -10.1797 9.1539 9.1539 12.2192 12.2192 12.2213 12.2213 14.6498 14.6498 14.7127 14.7127 15.4621 15.4621 19.6533 19.6533 19.6850 19.6850 21.5937 21.5937 22.9759 22.9759 23.0931 23.0931 k = 0.0765 0.0765 0.0765 ( 1288 PWs) bands (ev): -43.6960 -43.6960 -17.9552 -17.9552 -10.1921 -10.1921 -10.1830 -10.1830 9.2095 9.2095 12.2476 12.2476 12.2499 12.2499 14.6404 14.6404 14.7087 14.7087 15.4636 15.4636 19.6374 19.6374 19.6742 19.6742 21.4165 21.4165 22.9065 22.9065 22.9837 22.9837 k = 0.0824 0.0824 0.0824 ( 1288 PWs) bands (ev): -43.6955 -43.6955 -17.9570 -17.9570 -10.1968 -10.1968 -10.1866 -10.1866 9.2690 9.2690 12.2780 12.2780 12.2804 12.2804 14.6303 14.6303 14.7030 14.7030 15.4650 15.4650 19.6216 19.6216 19.6637 19.6637 21.2426 21.2426 22.8346 22.8346 22.8744 22.8744 k = 0.0882 0.0882 0.0882 ( 1288 PWs) bands (ev): -43.6950 -43.6950 -17.9588 -17.9588 -10.2018 -10.2018 -10.1904 -10.1904 9.3324 9.3324 12.3103 12.3103 12.3128 12.3128 14.6194 14.6194 14.6952 14.6952 15.4661 15.4661 19.6061 19.6061 19.6535 19.6535 21.0733 21.0733 22.7607 22.7607 22.7657 22.7657 k = 0.0941 0.0941 0.0941 ( 1294 PWs) bands (ev): -43.6945 -43.6945 -17.9609 -17.9609 -10.2071 -10.2071 -10.1945 -10.1945 9.3996 9.3996 12.3445 12.3445 12.3469 12.3469 14.6078 14.6078 14.6854 14.6854 15.4665 15.4665 19.5911 19.5911 19.6439 19.6439 20.9097 20.9097 22.6577 22.6577 22.6850 22.6850 k = 0.1000 0.1000 0.1000 ( 1294 PWs) bands (ev): -43.6940 -43.6940 -17.9630 -17.9630 -10.2125 -10.2125 -10.1988 -10.1988 9.4703 9.4703 12.3805 12.3805 12.3828 12.3828 14.5955 14.5955 14.6733 14.6733 15.4658 15.4658 19.5767 19.5767 19.6351 19.6351 20.7530 20.7530 22.5506 22.5506 22.6080 22.6080 k = 0.1059 0.1059 0.1059 ( 1285 PWs) bands (ev): -43.6934 -43.6934 -17.9649 -17.9649 -10.2180 -10.2180 -10.2031 -10.2031 9.5446 9.5446 12.4182 12.4182 12.4203 12.4203 14.5826 14.5826 14.6589 14.6589 15.4635 15.4635 19.5634 19.5634 19.6271 19.6271 20.6043 20.6043 22.4446 22.4446 22.5298 22.5298 k = 0.1118 0.1118 0.1118 ( 1285 PWs) bands (ev): -43.6928 -43.6928 -17.9672 -17.9672 -10.2238 -10.2238 -10.2078 -10.2078 9.6222 9.6222 12.4576 12.4576 12.4593 12.4593 14.5690 14.5690 14.6423 14.6423 15.4590 15.4590 19.5511 19.5511 19.6200 19.6200 20.4649 20.4649 22.3397 22.3397 22.4507 22.4507 k = 0.1176 0.1176 0.1176 ( 1286 PWs) bands (ev): -43.6921 -43.6921 -17.9695 -17.9695 -10.2298 -10.2298 -10.2127 -10.2127 9.7031 9.7031 12.4985 12.4985 12.4997 12.4997 14.5548 14.5548 14.6235 14.6235 15.4516 15.4516 19.5402 19.5402 19.6139 19.6139 20.3358 20.3358 22.2361 22.2361 22.3710 22.3710 k = 0.1235 0.1235 0.1235 ( 1286 PWs) bands (ev): -43.6915 -43.6915 -17.9719 -17.9719 -10.2359 -10.2359 -10.2178 -10.2178 9.7871 9.7871 12.5408 12.5408 12.5414 12.5414 14.5400 14.5400 14.6025 14.6025 15.4407 15.4407 19.5308 19.5308 19.6088 19.6088 20.2182 20.2182 22.1340 22.1340 22.2909 22.2909 k = 0.1294 0.1294 0.1294 ( 1280 PWs) bands (ev): -43.6908 -43.6908 -17.9743 -17.9743 -10.2421 -10.2421 -10.2229 -10.2229 9.8740 9.8740 12.5842 12.5842 12.5844 12.5844 14.5248 14.5248 14.5795 14.5795 15.4258 15.4258 19.5230 19.5230 19.6046 19.6046 20.1131 20.1131 22.0335 22.0335 22.2107 22.2107 k = 0.1353 0.1353 0.1353 ( 1280 PWs) bands (ev): -43.6901 -43.6901 -17.9768 -17.9768 -10.2484 -10.2484 -10.2283 -10.2283 9.9638 9.9638 12.6281 12.6281 12.6292 12.6292 14.5092 14.5092 14.5545 14.5545 15.4061 15.4061 19.5170 19.5170 19.6012 19.6012 20.0216 20.0216 21.9347 21.9347 22.1304 22.1304 k = 0.1412 0.1412 0.1412 ( 1280 PWs) bands (ev): -43.6894 -43.6894 -17.9794 -17.9794 -10.2549 -10.2549 -10.2339 -10.2339 10.0562 10.0562 12.6728 12.6728 12.6751 12.6751 14.4932 14.4932 14.5277 14.5277 15.3813 15.3813 19.5129 19.5129 19.5984 19.5984 19.9446 19.9446 21.8378 21.8378 22.0504 22.0504 k = 0.1471 0.1471 0.1471 ( 1280 PWs) bands (ev): -43.6887 -43.6887 -17.9821 -17.9821 -10.2614 -10.2614 -10.2397 -10.2397 10.1512 10.1512 12.7182 12.7182 12.7219 12.7219 14.4770 14.4770 14.4992 14.4992 15.3510 15.3510 19.5107 19.5107 19.5960 19.5960 19.8827 19.8827 21.7431 21.7431 21.9709 21.9709 k = 0.1529 0.1529 0.1529 ( 1280 PWs) bands (ev): -43.6879 -43.6879 -17.9848 -17.9848 -10.2679 -10.2679 -10.2456 -10.2456 10.2486 10.2486 12.7642 12.7642 12.7694 12.7694 14.4607 14.4607 14.4692 14.4692 15.3149 15.3149 19.5104 19.5104 19.5939 19.5939 19.8365 19.8365 21.6507 21.6507 21.8920 21.8920 k = 0.1588 0.1588 0.1588 ( 1280 PWs) bands (ev): -43.6871 -43.6871 -17.9876 -17.9876 -10.2745 -10.2745 -10.2517 -10.2517 10.3483 10.3483 12.8107 12.8107 12.8176 12.8176 14.4379 14.4379 14.4444 14.4444 15.2732 15.2732 19.5122 19.5122 19.5922 19.5922 19.8057 19.8057 21.5611 21.5611 21.8140 21.8140 k = 0.1647 0.1647 0.1647 ( 1274 PWs) bands (ev): -43.6863 -43.6863 -17.9903 -17.9903 -10.2810 -10.2810 -10.2579 -10.2579 10.4500 10.4500 12.8573 12.8573 12.8660 12.8660 14.4055 14.4055 14.4282 14.4282 15.2260 15.2260 19.5158 19.5158 19.5914 19.5914 19.7895 19.7895 21.4746 21.4746 21.7371 21.7371 k = 0.1706 0.1706 0.1706 ( 1274 PWs) bands (ev): -43.6855 -43.6855 -17.9932 -17.9932 -10.2876 -10.2876 -10.2642 -10.2642 10.5537 10.5537 12.9039 12.9039 12.9146 12.9146 14.3721 14.3721 14.4123 14.4123 15.1736 15.1736 19.5212 19.5212 19.5920 19.5920 19.7868 19.7868 21.3916 21.3916 21.6617 21.6617 k = 0.1765 0.1765 0.1765 ( 1280 PWs) bands (ev): -43.6847 -43.6847 -17.9963 -17.9963 -10.2944 -10.2944 -10.2707 -10.2707 10.6593 10.6593 12.9504 12.9504 12.9631 12.9631 14.3380 14.3380 14.3969 14.3969 15.1167 15.1167 19.5283 19.5283 19.5943 19.5943 19.7965 19.7965 21.3128 21.3128 21.5880 21.5880 k = 0.1824 0.1824 0.1824 ( 1280 PWs) bands (ev): -43.6839 -43.6839 -17.9992 -17.9992 -10.3011 -10.3011 -10.2773 -10.2773 10.7665 10.7665 12.9964 12.9964 13.0111 13.0111 14.3034 14.3034 14.3822 14.3822 15.0558 15.0558 19.5367 19.5367 19.5977 19.5977 19.8180 19.8180 21.2387 21.2387 21.5164 21.5164 k = 0.1882 0.1882 0.1882 ( 1280 PWs) bands (ev): -43.6831 -43.6831 -18.0022 -18.0022 -10.3077 -10.3077 -10.2840 -10.2840 10.8752 10.8752 13.0418 13.0418 13.0583 13.0583 14.2688 14.2688 14.3684 14.3684 14.9919 14.9919 19.5462 19.5462 19.6007 19.6007 19.8513 19.8513 21.1703 21.1703 21.4474 21.4474 k = 0.1941 0.1941 0.1941 ( 1277 PWs) bands (ev): -43.6822 -43.6822 -18.0052 -18.0052 -10.3143 -10.3143 -10.2907 -10.2907 10.9852 10.9852 13.0863 13.0863 13.1042 13.1042 14.2345 14.2345 14.3556 14.3556 14.9258 14.9258 19.5564 19.5564 19.6018 19.6018 19.8962 19.8962 21.1083 21.1083 21.3813 21.3813 k = 0.2000 0.2000 0.2000 ( 1271 PWs) bands (ev): -43.6813 -43.6813 -18.0081 -18.0081 -10.3208 -10.3208 -10.2975 -10.2975 11.0965 11.0965 13.1296 13.1296 13.1482 13.1482 14.2010 14.2010 14.3443 14.3443 14.8583 14.8583 19.5667 19.5667 19.5996 19.5996 19.9524 19.9524 21.0539 21.0539 21.3189 21.3189 k = 0.2059 0.2059 0.2059 ( 1277 PWs) bands (ev): -43.6805 -43.6805 -18.0113 -18.0113 -10.3275 -10.3275 -10.3044 -10.3044 11.2088 11.2088 13.1714 13.1714 13.1896 13.1896 14.1690 14.1690 14.3346 14.3346 14.7903 14.7903 19.5765 19.5765 19.5928 19.5928 20.0192 20.0192 21.0083 21.0083 21.2608 21.2608 k = 0.2118 0.2118 0.2118 ( 1283 PWs) bands (ev): -43.6796 -43.6796 -18.0146 -18.0146 -10.3341 -10.3341 -10.3115 -10.3115 11.3220 11.3220 13.2115 13.2115 13.2277 13.2277 14.1393 14.1393 14.3268 14.3268 14.7227 14.7227 19.5804 19.5804 19.5850 19.5850 20.0956 20.0956 20.9725 20.9725 21.2079 21.2079 k = 0.2176 0.2176 0.2176 ( 1277 PWs) bands (ev): -43.6787 -43.6787 -18.0175 -18.0175 -10.3405 -10.3405 -10.3185 -10.3185 11.4359 11.4359 13.2496 13.2496 13.2614 13.2614 14.1129 14.1129 14.3212 14.3212 14.6563 14.6563 19.5615 19.5615 19.5913 19.5913 20.1803 20.1803 20.9479 20.9479 21.1609 21.1609 k = 0.2235 0.2235 0.2235 ( 1277 PWs) bands (ev): -43.6778 -43.6778 -18.0207 -18.0207 -10.3469 -10.3469 -10.3256 -10.3256 11.5504 11.5504 13.2853 13.2853 13.2897 13.2897 14.0909 14.0909 14.3182 14.3182 14.5917 14.5917 19.5356 19.5356 19.5945 19.5945 20.2720 20.2720 20.9355 20.9355 21.1209 21.1209 k = 0.2294 0.2294 0.2294 ( 1277 PWs) bands (ev): -43.6769 -43.6769 -18.0238 -18.0238 -10.3533 -10.3533 -10.3327 -10.3327 11.6652 11.6652 13.3114 13.3114 13.3183 13.3183 14.0746 14.0746 14.3180 14.3180 14.5295 14.5295 19.5025 19.5025 19.5935 19.5935 20.3690 20.3690 20.9364 20.9364 21.0890 21.0890 k = 0.2353 0.2353 0.2353 ( 1265 PWs) bands (ev): -43.6760 -43.6760 -18.0267 -18.0267 -10.3594 -10.3594 -10.3397 -10.3397 11.7801 11.7801 13.3257 13.3257 13.3485 13.3485 14.0651 14.0651 14.3208 14.3208 14.4704 14.4704 19.4623 19.4623 19.5873 19.5873 20.4692 20.4692 20.9519 20.9519 21.0660 21.0660 k = 0.2412 0.2412 0.2412 ( 1265 PWs) bands (ev): -43.6751 -43.6751 -18.0299 -18.0299 -10.3657 -10.3657 -10.3469 -10.3469 11.8949 11.8949 13.3320 13.3320 13.3756 13.3756 14.0629 14.0629 14.3270 14.3270 14.4148 14.4148 19.4153 19.4153 19.5751 19.5751 20.5698 20.5698 20.9836 20.9836 21.0527 21.0527 k = 0.2471 0.2471 0.2471 ( 1268 PWs) bands (ev): -43.6742 -43.6742 -18.0331 -18.0331 -10.3720 -10.3720 -10.3541 -10.3541 12.0091 12.0091 13.3306 13.3306 13.3995 13.3995 14.0679 14.0679 14.3365 14.3365 14.3633 14.3633 19.3622 19.3622 19.5562 19.5562 20.6675 20.6675 21.0336 21.0336 21.0499 21.0499 k = 0.2529 0.2529 0.2529 ( 1268 PWs) bands (ev): -43.6733 -43.6733 -18.0362 -18.0362 -10.3782 -10.3782 -10.3613 -10.3613 12.1225 12.1225 13.3225 13.3225 13.4201 13.4201 14.0788 14.0788 14.3169 14.3169 14.3495 14.3495 19.3037 19.3037 19.5303 19.5303 20.7589 20.7589 21.0578 21.0578 21.1038 21.1038 k = 0.2588 0.2588 0.2588 ( 1268 PWs) bands (ev): -43.6724 -43.6724 -18.0394 -18.0394 -10.3843 -10.3843 -10.3684 -10.3684 12.2345 12.2345 13.3093 13.3093 13.4375 13.4375 14.0930 14.0930 14.2776 14.2776 14.3660 14.3660 19.2405 19.2405 19.4972 19.4972 20.8427 20.8427 21.0763 21.0763 21.1940 21.1940 k = 0.2647 0.2647 0.2647 ( 1268 PWs) bands (ev): -43.6715 -43.6715 -18.0425 -18.0425 -10.3904 -10.3904 -10.3756 -10.3756 12.3444 12.3444 13.2932 13.2932 13.4518 13.4518 14.1045 14.1045 14.2499 14.2499 14.3858 14.3858 19.1733 19.1733 19.4573 19.4573 20.9204 20.9204 21.1052 21.1052 21.3014 21.3014 k = 0.2706 0.2706 0.2706 ( 1268 PWs) bands (ev): -43.6707 -43.6707 -18.0456 -18.0456 -10.3965 -10.3965 -10.3826 -10.3826 12.4510 12.4510 13.2765 13.2765 13.4633 13.4633 14.1042 14.1042 14.2419 14.2419 14.4088 14.4088 19.1029 19.1029 19.4109 19.4109 20.9949 20.9949 21.1439 21.1439 21.4216 21.4216 k = 0.2765 0.2765 0.2765 ( 1268 PWs) bands (ev): -43.6698 -43.6698 -18.0488 -18.0488 -10.4025 -10.4025 -10.3897 -10.3897 12.5528 12.5528 13.2623 13.2623 13.4722 13.4722 14.0886 14.0886 14.2558 14.2558 14.4347 14.4347 19.0298 19.0298 19.3588 19.3588 21.0690 21.0690 21.1916 21.1916 21.5506 21.5506 k = 0.2824 0.2824 0.2824 ( 1277 PWs) bands (ev): -43.6689 -43.6689 -18.0520 -18.0520 -10.4085 -10.4085 -10.3968 -10.3968 12.6469 12.6469 13.2543 13.2543 13.4787 13.4787 14.0647 14.0647 14.2839 14.2839 14.4632 14.4632 18.9546 18.9546 19.3015 19.3015 21.1444 21.1444 21.2477 21.2477 21.6853 21.6853 k = 0.2882 0.2882 0.2882 ( 1277 PWs) bands (ev): -43.6681 -43.6681 -18.0551 -18.0551 -10.4144 -10.4144 -10.4038 -10.4038 12.7296 12.7296 13.2571 13.2571 13.4833 13.4833 14.0386 14.0386 14.3191 14.3191 14.4941 14.4941 18.8777 18.8777 19.2397 19.2397 21.2222 21.2222 21.3113 21.3113 21.8236 21.8236 k = 0.2941 0.2941 0.2941 ( 1271 PWs) bands (ev): -43.6672 -43.6672 -18.0581 -18.0581 -10.4202 -10.4202 -10.4106 -10.4106 12.7959 12.7959 13.2762 13.2762 13.4863 13.4863 14.0134 14.0134 14.3581 14.3581 14.5271 14.5271 18.7994 18.7994 19.1740 19.1740 21.3027 21.3027 21.3817 21.3817 21.9639 21.9639 k = 0.3000 0.3000 0.3000 ( 1271 PWs) bands (ev): -43.6663 -43.6663 -18.0611 -18.0611 -10.4259 -10.4259 -10.4174 -10.4174 12.8421 12.8421 13.3154 13.3154 13.4879 13.4879 13.9903 13.9903 14.3992 14.3992 14.5619 14.5619 18.7201 18.7201 19.1050 19.1050 21.3862 21.3862 21.4582 21.4582 22.1047 22.1047 k = 0.3059 0.3059 0.3059 ( 1271 PWs) bands (ev): -43.6655 -43.6655 -18.0641 -18.0641 -10.4316 -10.4316 -10.4242 -10.4242 12.8691 12.8691 13.3736 13.3736 13.4885 13.4885 13.9704 13.9704 14.4415 14.4415 14.5982 14.5982 18.6401 18.6401 19.0332 19.0332 21.4727 21.4727 21.5402 21.5402 22.2446 22.2446 k = 0.3118 0.3118 0.3118 ( 1271 PWs) bands (ev): -43.6647 -43.6647 -18.0671 -18.0671 -10.4373 -10.4373 -10.4308 -10.4308 12.8821 12.8821 13.4451 13.4451 13.4883 13.4883 13.9550 13.9550 14.4846 14.4846 14.6358 14.6358 18.5597 18.5597 18.9590 18.9590 21.5622 21.5622 21.6271 21.6271 22.3825 22.3825 k = 0.3176 0.3176 0.3176 ( 1271 PWs) bands (ev): -43.6638 -43.6638 -18.0700 -18.0700 -10.4429 -10.4429 -10.4374 -10.4374 12.8867 12.8867 13.4875 13.4875 13.5224 13.5224 13.9460 13.9460 14.5279 14.5279 14.6745 14.6745 18.4789 18.4789 18.8828 18.8828 21.6545 21.6545 21.7183 21.7183 22.5169 22.5169 k = 0.3235 0.3235 0.3235 ( 1271 PWs) bands (ev): -43.6630 -43.6630 -18.0729 -18.0729 -10.4484 -10.4484 -10.4438 -10.4438 12.8875 12.8875 13.4864 13.4864 13.5972 13.5972 13.9473 13.9473 14.5714 14.5714 14.7142 14.7142 18.3981 18.3981 18.8049 18.8049 21.7495 21.7495 21.8135 21.8135 22.6460 22.6460 k = 0.3294 0.3294 0.3294 ( 1271 PWs) bands (ev): -43.6622 -43.6622 -18.0758 -18.0758 -10.4539 -10.4539 -10.4501 -10.4501 12.8872 12.8872 13.4850 13.4850 13.6604 13.6604 13.9652 13.9652 14.6147 14.6147 14.7548 14.7548 18.3174 18.3174 18.7255 18.7255 21.8470 21.8470 21.9120 21.9120 22.7680 22.7680 k = 0.3353 0.3353 0.3353 ( 1271 PWs) bands (ev): -43.6615 -43.6615 -18.0786 -18.0786 -10.4593 -10.4593 -10.4563 -10.4563 12.8875 12.8875 13.4835 13.4835 13.7037 13.7037 14.0063 14.0063 14.6579 14.6579 14.7961 14.7961 18.2369 18.2369 18.6450 18.6450 21.9468 21.9468 22.0137 22.0137 22.8803 22.8803 k = 0.3412 0.3412 0.3412 ( 1277 PWs) bands (ev): -43.6607 -43.6607 -18.0815 -18.0815 -10.4648 -10.4648 -10.4624 -10.4624 12.8896 12.8896 13.4821 13.4821 13.7264 13.7264 14.0702 14.0702 14.7007 14.7007 14.8381 14.8381 18.1569 18.1569 18.5635 18.5635 22.0488 22.0488 22.1179 22.1179 22.9797 22.9797 k = 0.3471 0.3471 0.3471 ( 1271 PWs) bands (ev): -43.6600 -43.6600 -18.0841 -18.0841 -10.4698 -10.4698 -10.4683 -10.4683 12.8942 12.8942 13.4808 13.4808 13.7350 13.7350 14.1492 14.1492 14.7432 14.7432 14.8806 14.8806 18.0774 18.0774 18.4813 18.4813 22.1527 22.1527 22.2244 22.2244 23.0623 23.0623 k = 0.3529 0.3529 0.3529 ( 1271 PWs) bands (ev): -43.6592 -43.6592 -18.0868 -18.0868 -10.4750 -10.4750 -10.4740 -10.4740 12.9015 12.9015 13.4797 13.4797 13.7362 13.7362 14.2361 14.2361 14.7854 14.7854 14.9238 14.9238 17.9987 17.9987 18.3985 18.3985 22.2584 22.2584 22.3329 22.3329 23.1235 23.1235 k = 0.3588 0.3588 0.3588 ( 1277 PWs) bands (ev): -43.6585 -43.6585 -18.0895 -18.0895 -10.4802 -10.4802 -10.4797 -10.4797 12.9118 12.9118 13.4789 13.4789 13.7340 13.7340 14.3264 14.3264 14.8272 14.8272 14.9675 14.9675 17.9207 17.9207 18.3152 18.3152 22.3655 22.3655 22.4429 22.4429 23.1582 23.1582 k = 0.3647 0.3647 0.3647 ( 1277 PWs) bands (ev): -43.6579 -43.6579 -18.0921 -18.0921 -10.4852 -10.4852 -10.4851 -10.4851 12.9252 12.9252 13.4783 13.4783 13.7303 13.7303 14.4174 14.4174 14.8689 14.8689 15.0117 15.0117 17.8438 17.8438 18.2317 18.2317 22.4738 22.4738 22.5540 22.5540 23.1623 23.1623 k = 0.3706 0.3706 0.3706 ( 1283 PWs) bands (ev): -43.6572 -43.6572 -18.0947 -18.0947 -10.4904 -10.4904 -10.4902 -10.4902 12.9417 12.9417 13.4780 13.4780 13.7262 13.7262 14.5076 14.5076 14.9107 14.9107 15.0564 15.0564 17.7680 17.7680 18.1480 18.1480 22.5831 22.5831 22.6661 22.6661 23.1334 23.1334 k = 0.3765 0.3765 0.3765 ( 1283 PWs) bands (ev): -43.6566 -43.6566 -18.0971 -18.0971 -10.4954 -10.4954 -10.4949 -10.4949 12.9613 12.9613 13.4780 13.4780 13.7222 13.7222 14.5957 14.5957 14.9530 14.9530 15.1016 15.1016 17.6935 17.6935 18.0642 18.0642 22.6927 22.6927 22.7786 22.7786 23.0729 23.0729 k = 0.3824 0.3824 0.3824 ( 1289 PWs) bands (ev): -43.6560 -43.6560 -18.0995 -18.0995 -10.5003 -10.5003 -10.4997 -10.4997 12.9838 12.9838 13.4783 13.4783 13.7185 13.7185 14.6804 14.6804 14.9962 14.9962 15.1474 15.1474 17.6204 17.6204 17.9807 17.9807 22.8009 22.8009 22.8912 22.8912 22.9858 22.9858 k = 0.3882 0.3882 0.3882 ( 1280 PWs) bands (ev): -43.6554 -43.6554 -18.1016 -18.1016 -10.5049 -10.5049 -10.5041 -10.5041 13.0091 13.0091 13.4789 13.4789 13.7155 13.7155 14.7604 14.7604 15.0414 15.0414 15.1937 15.1937 17.5488 17.5488 17.8973 17.8973 22.8528 22.8528 22.9324 22.9324 23.0037 23.0037 k = 0.3941 0.3941 0.3941 ( 1280 PWs) bands (ev): -43.6548 -43.6548 -18.1037 -18.1037 -10.5094 -10.5094 -10.5084 -10.5084 13.0369 13.0369 13.4798 13.4798 13.7131 13.7131 14.8341 14.8341 15.0898 15.0898 15.2406 15.2406 17.4789 17.4789 17.8143 17.8143 22.7346 22.7346 23.0320 23.0320 23.1154 23.1154 k = 0.4000 0.4000 0.4000 ( 1283 PWs) bands (ev): -43.6543 -43.6543 -18.1059 -18.1059 -10.5137 -10.5137 -10.5126 -10.5126 13.0669 13.0669 13.4809 13.4809 13.7114 13.7114 14.8999 14.8999 15.1425 15.1425 15.2880 15.2880 17.4109 17.4109 17.7318 17.7318 22.5944 22.5944 23.1414 23.1414 23.2262 23.2262 k = 0.4059 0.4059 0.4059 ( 1283 PWs) bands (ev): -43.6537 -43.6537 -18.1078 -18.1078 -10.5178 -10.5178 -10.5166 -10.5166 13.0989 13.0989 13.4823 13.4823 13.7103 13.7103 14.9568 14.9568 15.2002 15.2002 15.3359 15.3359 17.3448 17.3448 17.6500 17.6500 22.4461 22.4461 23.2510 23.2510 23.3354 23.3354 k = 0.4118 0.4118 0.4118 ( 1283 PWs) bands (ev): -43.6532 -43.6532 -18.1097 -18.1097 -10.5216 -10.5216 -10.5205 -10.5205 13.1325 13.1325 13.4838 13.4838 13.7099 13.7099 15.0049 15.0049 15.2628 15.2628 15.3844 15.3844 17.2807 17.2807 17.5689 17.5689 22.2939 22.2939 23.3597 23.3597 23.4428 23.4428 k = 0.4176 0.4176 0.4176 ( 1283 PWs) bands (ev): -43.6528 -43.6528 -18.1115 -18.1115 -10.5252 -10.5252 -10.5241 -10.5241 13.1672 13.1672 13.4855 13.4855 13.7101 13.7101 15.0452 15.0452 15.3287 15.3287 15.4334 15.4334 17.2189 17.2189 17.4887 17.4887 22.1409 22.1409 23.4671 23.4671 23.5477 23.5477 k = 0.4235 0.4235 0.4235 ( 1280 PWs) bands (ev): -43.6523 -43.6523 -18.1131 -18.1131 -10.5286 -10.5286 -10.5275 -10.5275 13.2027 13.2027 13.4873 13.4873 13.7109 13.7109 15.0792 15.0792 15.3965 15.3965 15.4829 15.4829 17.1594 17.1594 17.4096 17.4096 21.9897 21.9897 23.5725 23.5725 23.6498 23.6498 k = 0.4294 0.4294 0.4294 ( 1286 PWs) bands (ev): -43.6519 -43.6519 -18.1148 -18.1148 -10.5319 -10.5319 -10.5308 -10.5308 13.2384 13.2384 13.4892 13.4892 13.7122 13.7122 15.1080 15.1080 15.4647 15.4647 15.5328 15.5328 17.1023 17.1023 17.3318 17.3318 21.8422 21.8422 23.6754 23.6754 23.7484 23.7484 k = 0.4353 0.4353 0.4353 ( 1286 PWs) bands (ev): -43.6516 -43.6516 -18.1162 -18.1162 -10.5348 -10.5348 -10.5338 -10.5338 13.2739 13.2739 13.4911 13.4911 13.7141 13.7141 15.1324 15.1324 15.5322 15.5322 15.5830 15.5830 17.0477 17.0477 17.2555 17.2555 21.7002 21.7002 23.7752 23.7752 23.8429 23.8429 k = 0.4412 0.4412 0.4412 ( 1295 PWs) bands (ev): -43.6512 -43.6512 -18.1178 -18.1178 -10.5377 -10.5377 -10.5367 -10.5367 13.3086 13.3086 13.4930 13.4930 13.7164 13.7164 15.1531 15.1531 15.5981 15.5981 15.6334 15.6334 16.9958 16.9958 17.1808 17.1808 21.5653 21.5653 23.8712 23.8712 23.9328 23.9328 k = 0.4471 0.4471 0.4471 ( 1295 PWs) bands (ev): -43.6509 -43.6509 -18.1190 -18.1190 -10.5402 -10.5402 -10.5392 -10.5392 13.3419 13.3419 13.4948 13.4948 13.7191 13.7191 15.1706 15.1706 15.6618 15.6618 15.6837 15.6837 16.9466 16.9466 17.1083 17.1083 21.4388 21.4388 23.9626 23.9626 24.0173 24.0173 k = 0.4529 0.4529 0.4529 ( 1301 PWs) bands (ev): -43.6507 -43.6507 -18.1202 -18.1202 -10.5425 -10.5425 -10.5416 -10.5416 13.3734 13.3734 13.4966 13.4966 13.7221 13.7221 15.1851 15.1851 15.7227 15.7227 15.7336 15.7336 16.9003 16.9003 17.0382 17.0382 21.3219 21.3219 24.0487 24.0487 24.0958 24.0958 k = 0.4588 0.4588 0.4588 ( 1301 PWs) bands (ev): -43.6504 -43.6504 -18.1212 -18.1212 -10.5444 -10.5444 -10.5437 -10.5437 13.4024 13.4024 13.4982 13.4982 13.7254 13.7254 15.1970 15.1970 15.7801 15.7801 15.7827 15.7827 16.8571 16.8571 16.9711 16.9711 21.2158 21.2158 24.1284 24.1284 24.1675 24.1675 k = 0.4647 0.4647 0.4647 ( 1313 PWs) bands (ev): -43.6502 -43.6502 -18.1223 -18.1223 -10.5462 -10.5462 -10.5456 -10.5456 13.4285 13.4285 13.4997 13.4997 13.7289 13.7289 15.2065 15.2065 15.8304 15.8304 15.8334 15.8334 16.8172 16.8172 16.9077 16.9077 21.1216 21.1216 24.2008 24.2008 24.2317 24.2317 k = 0.4706 0.4706 0.4706 ( 1319 PWs) bands (ev): -43.6501 -43.6501 -18.1231 -18.1231 -10.5477 -10.5477 -10.5473 -10.5473 13.4511 13.4511 13.5010 13.5010 13.7324 13.7324 15.2140 15.2140 15.8756 15.8756 15.8816 15.8816 16.7811 16.7811 16.8489 16.8489 21.0401 21.0401 24.2647 24.2647 24.2876 24.2876 k = 0.4765 0.4765 0.4765 ( 1328 PWs) bands (ev): -43.6499 -43.6499 -18.1239 -18.1239 -10.5489 -10.5489 -10.5488 -10.5488 13.4700 13.4700 13.5021 13.5021 13.7358 13.7358 15.2196 15.2196 15.9173 15.9173 15.9238 15.9238 16.7495 16.7495 16.7962 16.7962 20.9721 20.9721 24.3190 24.3190 24.3345 24.3345 k = 0.4824 0.4824 0.4824 ( 1328 PWs) bands (ev): -43.6498 -43.6498 -18.1244 -18.1244 -10.5499 -10.5499 -10.5498 -10.5498 13.4849 13.4849 13.5030 13.5030 13.7387 13.7387 15.2237 15.2237 15.9535 15.9535 15.9587 15.9587 16.7232 16.7232 16.7513 16.7513 20.9186 20.9186 24.3626 24.3626 24.3718 24.3718 k = 0.4882 0.4882 0.4882 ( 1328 PWs) bands (ev): -43.6497 -43.6497 -18.1247 -18.1247 -10.5505 -10.5505 -10.5505 -10.5505 13.4956 13.4956 13.5037 13.5037 13.7411 13.7411 15.2265 15.2265 15.9822 15.9822 15.9851 15.9851 16.7032 16.7032 16.7165 16.7165 20.8798 20.8798 24.3946 24.3946 24.3988 24.3988 k = 0.4941 0.4941 0.4941 ( 1328 PWs) bands (ev): -43.6497 -43.6497 -18.1249 -18.1249 -10.5509 -10.5509 -10.5509 -10.5509 13.5021 13.5021 13.5041 13.5041 13.7426 13.7426 15.2280 15.2280 16.0007 16.0007 16.0016 16.0016 16.6907 16.6907 16.6941 16.6941 20.8564 20.8564 24.4142 24.4142 24.4153 24.4153 k = 0.5000 0.5000 0.5000 ( 1328 PWs) bands (ev): -43.6497 -43.6497 -18.1250 -18.1250 -10.5511 -10.5511 -10.5511 -10.5511 13.5042 13.5042 13.5042 13.5042 13.7432 13.7432 15.2285 15.2285 16.0072 16.0072 16.0072 16.0072 16.6864 16.6864 16.6864 16.6864 20.8486 20.8486 24.4208 24.4208 24.4208 24.4208 k = 0.5000 0.5000 0.5000 ( 1328 PWs) bands (ev): -43.6497 -43.6497 -18.1250 -18.1250 -10.5511 -10.5511 -10.5511 -10.5511 13.5042 13.5042 13.5042 13.5042 13.7432 13.7432 15.2285 15.2285 16.0072 16.0072 16.0072 16.0072 16.6864 16.6864 16.6864 16.6864 20.8486 20.8486 24.4208 24.4208 24.4208 24.4208 k = 0.4928 0.5000 0.4928 ( 1328 PWs) bands (ev): -43.6497 -43.6497 -18.1249 -18.1249 -10.5510 -10.5510 -10.5508 -10.5508 13.5022 13.5022 13.5039 13.5039 13.7426 13.7426 15.2280 15.2280 15.9970 15.9970 16.0052 16.0052 16.6890 16.6890 16.6959 16.6959 20.8565 20.8565 24.4117 24.4117 24.4176 24.4176 k = 0.4855 0.5000 0.4855 ( 1328 PWs) bands (ev): -43.6497 -43.6497 -18.1247 -18.1247 -10.5508 -10.5508 -10.5502 -10.5502 13.4960 13.4960 13.5031 13.5031 13.7411 13.7411 15.2263 15.2263 15.9679 15.9679 15.9997 15.9997 16.6966 16.6966 16.7229 16.7229 20.8802 20.8802 24.3848 24.3848 24.4082 24.4082 k = 0.4783 0.5000 0.4783 ( 1328 PWs) bands (ev): -43.6498 -43.6498 -18.1244 -18.1244 -10.5506 -10.5506 -10.5491 -10.5491 13.4858 13.4858 13.5018 13.5018 13.7387 13.7387 15.2229 15.2229 15.9234 15.9234 15.9919 15.9919 16.7083 16.7083 16.7640 16.7640 20.9194 20.9194 24.3410 24.3410 24.3926 24.3926 k = 0.4710 0.5000 0.4710 ( 1328 PWs) bands (ev): -43.6499 -43.6499 -18.1239 -18.1239 -10.5502 -10.5502 -10.5475 -10.5475 13.4717 13.4717 13.4999 13.4999 13.7356 13.7356 15.2171 15.2171 15.8672 15.8672 15.9834 15.9834 16.7232 16.7232 16.8156 16.8156 20.9737 20.9737 24.2819 24.2819 24.3706 24.3706 k = 0.4638 0.5000 0.4638 ( 1316 PWs) bands (ev): -43.6501 -43.6501 -18.1230 -18.1230 -10.5496 -10.5496 -10.5453 -10.5453 13.4537 13.4537 13.4975 13.4975 13.7320 13.7320 15.2081 15.2081 15.8027 15.8027 15.9761 15.9761 16.7401 16.7401 16.8745 16.8745 21.0426 21.0426 24.2091 24.2091 24.3425 24.3425 k = 0.4565 0.5000 0.4565 ( 1306 PWs) bands (ev): -43.6502 -43.6502 -18.1221 -18.1221 -10.5489 -10.5489 -10.5427 -10.5427 13.4321 13.4321 13.4945 13.4945 13.7282 13.7282 15.1952 15.1952 15.7321 15.7321 15.9716 15.9716 16.7581 16.7581 16.9388 16.9388 21.1255 21.1255 24.1244 24.1244 24.3082 24.3082 k = 0.4493 0.5000 0.4493 ( 1302 PWs) bands (ev): -43.6504 -43.6504 -18.1212 -18.1212 -10.5481 -10.5481 -10.5398 -10.5398 13.4071 13.4071 13.4909 13.4909 13.7243 13.7243 15.1776 15.1776 15.6572 15.6572 15.9714 15.9714 16.7764 16.7764 17.0069 17.0069 21.2216 21.2216 24.0295 24.0295 24.2679 24.2679 k = 0.4420 0.5000 0.4420 ( 1294 PWs) bands (ev): -43.6507 -43.6507 -18.1200 -18.1200 -10.5472 -10.5472 -10.5364 -10.5364 13.3792 13.3792 13.4866 13.4866 13.7204 13.7204 15.1551 15.1551 15.5793 15.5793 15.9760 15.9760 16.7943 16.7943 17.0777 17.0777 21.3303 21.3303 23.9261 23.9261 24.2220 24.2220 k = 0.4348 0.5000 0.4348 ( 1294 PWs) bands (ev): -43.6509 -43.6509 -18.1189 -18.1189 -10.5464 -10.5464 -10.5328 -10.5328 13.3487 13.3487 13.4817 13.4817 13.7166 13.7166 15.1278 15.1278 15.4995 15.4995 15.9859 15.9859 16.8114 16.8114 17.1506 17.1506 21.4506 21.4506 23.8155 23.8155 24.1708 24.1708 k = 0.4275 0.5000 0.4275 ( 1290 PWs) bands (ev): -43.6512 -43.6512 -18.1176 -18.1176 -10.5453 -10.5453 -10.5287 -10.5287 13.3160 13.3160 13.4762 13.4762 13.7130 13.7130 15.0958 15.0958 15.4187 15.4187 16.0008 16.0008 16.8275 16.8275 17.2249 17.2249 21.5818 21.5818 23.6990 23.6990 24.1147 24.1147 k = 0.4203 0.5000 0.4203 ( 1290 PWs) bands (ev): -43.6516 -43.6516 -18.1163 -18.1163 -10.5443 -10.5443 -10.5242 -10.5242 13.2815 13.2815 13.4699 13.4699 13.7095 13.7095 15.0595 15.0595 15.3377 15.3377 16.0201 16.0201 16.8424 16.8424 17.3004 17.3004 21.7230 21.7230 23.5775 23.5775 24.0544 24.0544 k = 0.4130 0.5000 0.4130 ( 1292 PWs) bands (ev): -43.6520 -43.6520 -18.1149 -18.1149 -10.5432 -10.5432 -10.5194 -10.5194 13.2457 13.2457 13.4629 13.4629 13.7062 13.7062 15.0196 15.0196 15.2574 15.2574 16.0432 16.0432 16.8560 16.8560 17.3765 17.3765 21.8736 21.8736 23.4519 23.4519 23.9906 23.9906 k = 0.4058 0.5000 0.4058 ( 1296 PWs) bands (ev): -43.6524 -43.6524 -18.1134 -18.1134 -10.5420 -10.5420 -10.5143 -10.5143 13.2089 13.2089 13.4552 13.4552 13.7031 13.7031 14.9762 14.9762 15.1786 15.1786 16.0692 16.0692 16.8684 16.8684 17.4531 17.4531 22.0327 22.0327 23.3230 23.3230 23.9240 23.9240 k = 0.3986 0.5000 0.3986 ( 1296 PWs) bands (ev): -43.6528 -43.6528 -18.1117 -18.1117 -10.5407 -10.5407 -10.5087 -10.5087 13.1714 13.1714 13.4467 13.4467 13.7001 13.7001 14.9295 14.9295 15.1024 15.1024 16.0973 16.0973 16.8796 16.8796 17.5299 17.5299 22.1994 22.1994 23.1913 23.1913 23.8554 23.8554 k = 0.3913 0.5000 0.3913 ( 1300 PWs) bands (ev): -43.6533 -43.6533 -18.1100 -18.1100 -10.5395 -10.5395 -10.5028 -10.5028 13.1336 13.1336 13.4374 13.4374 13.6973 13.6973 14.8794 14.8794 15.0299 15.0299 16.1268 16.1268 16.8896 16.8896 17.6067 17.6067 22.3730 22.3730 23.0575 23.0575 23.7855 23.7855 k = 0.3841 0.5000 0.3841 ( 1300 PWs) bands (ev): -43.6538 -43.6538 -18.1082 -18.1082 -10.5381 -10.5381 -10.4966 -10.4966 13.0958 13.0958 13.4273 13.4273 13.6945 13.6945 14.8253 14.8253 14.9626 14.9626 16.1569 16.1569 16.8986 16.8986 17.6833 17.6833 22.5522 22.5522 22.9223 22.9223 23.7152 23.7152 k = 0.3768 0.5000 0.3768 ( 1300 PWs) bands (ev): -43.6543 -43.6543 -18.1062 -18.1062 -10.5366 -10.5366 -10.4900 -10.4900 13.0582 13.0582 13.4165 13.4165 13.6919 13.6919 14.7673 14.7673 14.9013 14.9013 16.1868 16.1868 16.9067 16.9067 17.7594 17.7594 22.7270 22.7270 22.7954 22.7954 23.6451 23.6451 k = 0.3696 0.5000 0.3696 ( 1288 PWs) bands (ev): -43.6548 -43.6548 -18.1040 -18.1040 -10.5349 -10.5349 -10.4830 -10.4830 13.0210 13.0210 13.4048 13.4048 13.6892 13.6892 14.7059 14.7059 14.8460 14.8460 16.2161 16.2161 16.9139 16.9139 17.8350 17.8350 22.6416 22.6416 22.9318 22.9318 23.5762 23.5762 k = 0.3623 0.5000 0.3623 ( 1288 PWs) bands (ev): -43.6553 -43.6553 -18.1019 -18.1019 -10.5334 -10.5334 -10.4758 -10.4758 12.9845 12.9845 13.3924 13.3924 13.6865 13.6865 14.6426 14.6426 14.7960 14.7960 16.2441 16.2441 16.9203 16.9203 17.9098 17.9098 22.5031 22.5031 23.1231 23.1231 23.5094 23.5094 k = 0.3551 0.5000 0.3551 ( 1282 PWs) bands (ev): -43.6559 -43.6559 -18.0996 -18.0996 -10.5318 -10.5318 -10.4682 -10.4682 12.9488 12.9488 13.3791 13.3791 13.6836 13.6836 14.5791 14.5791 14.7504 14.7504 16.2704 16.2704 16.9263 16.9263 17.9837 17.9837 22.3630 22.3630 23.3127 23.3127 23.4496 23.4496 k = 0.3478 0.5000 0.3478 ( 1286 PWs) bands (ev): -43.6565 -43.6565 -18.0974 -18.0974 -10.5303 -10.5303 -10.4606 -10.4606 12.9141 12.9141 13.3651 13.3651 13.6804 13.6804 14.5165 14.5165 14.7082 14.7082 16.2943 16.2943 16.9318 16.9318 18.0565 18.0565 22.2220 22.2220 23.3690 23.3690 23.5263 23.5263 k = 0.3406 0.5000 0.3406 ( 1282 PWs) bands (ev): -43.6571 -43.6571 -18.0950 -18.0950 -10.5286 -10.5286 -10.4525 -10.4525 12.8807 12.8807 13.3503 13.3503 13.6768 13.6768 14.4559 14.4559 14.6692 14.6692 16.3154 16.3154 16.9370 16.9370 18.1282 18.1282 22.0806 22.0806 23.3132 23.3132 23.7161 23.7161 k = 0.3333 0.5000 0.3333 ( 1282 PWs) bands (ev): -43.6577 -43.6577 -18.0927 -18.0927 -10.5270 -10.5270 -10.4443 -10.4443 12.8485 12.8485 13.3347 13.3347 13.6726 13.6726 14.3980 14.3980 14.6331 14.6331 16.3334 16.3334 16.9422 16.9422 18.1985 18.1985 21.9390 21.9390 23.2569 23.2569 23.9042 23.9042 k = 0.3261 0.5000 0.3261 ( 1282 PWs) bands (ev): -43.6584 -43.6584 -18.0903 -18.0903 -10.5254 -10.5254 -10.4359 -10.4359 12.8177 12.8177 13.3184 13.3184 13.6676 13.6676 14.3434 14.3434 14.5999 14.5999 16.3478 16.3478 16.9475 16.9475 18.2673 18.2673 21.7972 21.7972 23.2034 23.2034 24.0811 24.0811 k = 0.3188 0.5000 0.3188 ( 1278 PWs) bands (ev): -43.6590 -43.6590 -18.0877 -18.0877 -10.5238 -10.5238 -10.4273 -10.4273 12.7884 12.7884 13.3013 13.3013 13.6616 13.6616 14.2924 14.2924 14.5695 14.5695 16.3583 16.3583 16.9529 16.9529 18.3346 18.3346 21.6555 21.6555 23.1532 23.1532 24.2361 24.2361 k = 0.3116 0.5000 0.3116 ( 1278 PWs) bands (ev): -43.6597 -43.6597 -18.0853 -18.0853 -10.5222 -10.5222 -10.4185 -10.4185 12.7608 12.7608 13.2836 13.2836 13.6544 13.6544 14.2455 14.2455 14.5420 14.5420 16.3646 16.3646 16.9588 16.9588 18.4001 18.4001 21.5138 21.5138 23.1067 23.1067 24.3532 24.3532 k = 0.3043 0.5000 0.3043 ( 1278 PWs) bands (ev): -43.6604 -43.6604 -18.0827 -18.0827 -10.5206 -10.5206 -10.4096 -10.4096 12.7348 12.7348 13.2651 13.2651 13.6458 13.6458 14.2030 14.2030 14.5175 14.5175 16.3665 16.3665 16.9651 16.9651 18.4638 18.4638 21.3725 21.3725 23.0639 23.0639 24.4149 24.4150 k = 0.2971 0.5000 0.2971 ( 1286 PWs) bands (ev): -43.6611 -43.6611 -18.0804 -18.0804 -10.5191 -10.5191 -10.4008 -10.4008 12.7106 12.7106 13.2461 13.2461 13.6356 13.6356 14.1651 14.1651 14.4961 14.4961 16.3639 16.3639 16.9719 16.9719 18.5256 18.5256 21.2315 21.2315 23.0247 23.0247 24.4144 24.4144 k = 0.2899 0.5000 0.2899 ( 1274 PWs) bands (ev): -43.6618 -43.6618 -18.0776 -18.0776 -10.5175 -10.5175 -10.3914 -10.3914 12.6882 12.6882 13.2264 13.2264 13.6237 13.6237 14.1320 14.1320 14.4780 14.4780 16.3568 16.3568 16.9794 16.9794 18.5853 18.5853 21.0911 21.0911 22.9892 22.9892 24.3616 24.3616 k = 0.2826 0.5000 0.2826 ( 1274 PWs) bands (ev): -43.6625 -43.6625 -18.0750 -18.0750 -10.5160 -10.5160 -10.3822 -10.3822 12.6677 12.6677 13.2062 13.2062 13.6101 13.6101 14.1037 14.1037 14.4632 14.4632 16.3451 16.3451 16.9873 16.9873 18.6430 18.6430 20.9511 20.9511 22.9570 22.9570 24.2733 24.2733 k = 0.2754 0.5000 0.2754 ( 1270 PWs) bands (ev): -43.6632 -43.6632 -18.0724 -18.0724 -10.5144 -10.5144 -10.3729 -10.3729 12.6490 12.6490 13.1855 13.1855 13.5949 13.5949 14.0801 14.0801 14.4518 14.4518 16.3290 16.3290 16.9958 16.9958 18.6983 18.6983 20.8119 20.8119 22.9281 22.9281 24.1628 24.1628 k = 0.2681 0.5000 0.2681 ( 1270 PWs) bands (ev): -43.6639 -43.6639 -18.0698 -18.0698 -10.5130 -10.5130 -10.3635 -10.3635 12.6322 12.6322 13.1645 13.1645 13.5783 13.5783 14.0609 14.0609 14.4440 14.4440 16.3086 16.3086 17.0048 17.0048 18.7514 18.7514 20.6735 20.6735 22.9019 22.9019 24.0384 24.0384 k = 0.2609 0.5000 0.2609 ( 1270 PWs) bands (ev): -43.6646 -43.6646 -18.0673 -18.0673 -10.5116 -10.5116 -10.3541 -10.3541 12.6173 12.6173 13.1431 13.1431 13.5605 13.5605 14.0459 14.0459 14.4397 14.4397 16.2841 16.2841 17.0141 17.0141 18.8021 18.8021 20.5359 20.5359 22.8781 22.8781 23.9051 23.9051 k = 0.2536 0.5000 0.2536 ( 1262 PWs) bands (ev): -43.6653 -43.6653 -18.0646 -18.0646 -10.5101 -10.5101 -10.3446 -10.3446 12.6042 12.6042 13.1216 13.1216 13.5420 13.5420 14.0347 14.0347 14.4390 14.4390 16.2557 16.2557 17.0237 17.0237 18.8503 18.8503 20.3992 20.3992 22.8561 22.8561 23.7661 23.7661 k = 0.2464 0.5000 0.2464 ( 1262 PWs) bands (ev): -43.6660 -43.6660 -18.0621 -18.0621 -10.5089 -10.5089 -10.3352 -10.3352 12.5930 12.5930 13.1000 13.1000 13.5229 13.5229 14.0269 14.0269 14.4419 14.4419 16.2237 16.2237 17.0335 17.0335 18.8961 18.8961 20.2637 20.2637 22.8351 22.8351 23.6238 23.6238 k = 0.2391 0.5000 0.2391 ( 1266 PWs) bands (ev): -43.6668 -43.6668 -18.0596 -18.0596 -10.5077 -10.5077 -10.3259 -10.3259 12.5836 12.5836 13.0785 13.0785 13.5037 13.5037 14.0222 14.0222 14.4483 14.4483 16.1883 16.1883 17.0435 17.0435 18.9393 18.9393 20.1292 20.1292 22.8139 22.8139 23.4800 23.4800 k = 0.2319 0.5000 0.2319 ( 1268 PWs) bands (ev): -43.6675 -43.6675 -18.0572 -18.0572 -10.5065 -10.5065 -10.3165 -10.3165 12.5759 12.5759 13.0574 13.0574 13.4846 13.4846 14.0202 14.0202 14.4583 14.4583 16.1499 16.1499 17.0535 17.0535 18.9799 18.9799 19.9961 19.9961 22.7905 22.7905 23.3374 23.3374 k = 0.2246 0.5000 0.2246 ( 1268 PWs) bands (ev): -43.6682 -43.6682 -18.0548 -18.0548 -10.5054 -10.5054 -10.3073 -10.3073 12.5698 12.5698 13.0367 13.0367 13.4659 13.4659 14.0208 14.0208 14.4717 14.4717 16.1086 16.1086 17.0636 17.0636 19.0179 19.0179 19.8643 19.8643 22.7612 22.7612 23.1997 23.1997 k = 0.2174 0.5000 0.2174 ( 1272 PWs) bands (ev): -43.6689 -43.6689 -18.0525 -18.0525 -10.5044 -10.5044 -10.2982 -10.2982 12.5652 12.5652 13.0168 13.0168 13.4476 13.4476 14.0236 14.0236 14.4885 14.4885 16.0649 16.0649 17.0736 17.0736 19.0532 19.0532 19.7340 19.7340 22.7188 22.7188 23.0743 23.0743 k = 0.2101 0.5000 0.2101 ( 1272 PWs) bands (ev): -43.6696 -43.6696 -18.0501 -18.0501 -10.5034 -10.5034 -10.2891 -10.2891 12.5620 12.5620 12.9978 12.9978 13.4299 13.4299 14.0286 14.0286 14.5085 14.5085 16.0189 16.0189 17.0837 17.0837 19.0858 19.0858 19.6053 19.6053 22.6514 22.6514 22.9731 22.9731 k = 0.2029 0.5000 0.2029 ( 1268 PWs) bands (ev): -43.6703 -43.6703 -18.0477 -18.0477 -10.5023 -10.5023 -10.2801 -10.2801 12.5600 12.5600 12.9800 12.9800 13.4130 13.4130 14.0355 14.0355 14.5316 14.5316 15.9710 15.9710 17.0936 17.0936 19.1156 19.1156 19.4785 19.4785 22.5510 22.5510 22.9041 22.9041 k = 0.1957 0.5000 0.1957 ( 1276 PWs) bands (ev): -43.6710 -43.6710 -18.0456 -18.0456 -10.5016 -10.5016 -10.2714 -10.2714 12.5588 12.5588 12.9638 12.9638 13.3968 13.3968 14.0443 14.0443 14.5577 14.5577 15.9214 15.9214 17.1035 17.1035 19.1420 19.1420 19.3543 19.3543 22.4244 22.4244 22.8605 22.8605 k = 0.1884 0.5000 0.1884 ( 1276 PWs) bands (ev): -43.6716 -43.6716 -18.0434 -18.0434 -10.5008 -10.5008 -10.2627 -10.2627 12.5583 12.5583 12.9495 12.9495 13.3813 13.3813 14.0549 14.0549 14.5867 14.5867 15.8706 15.8706 17.1133 17.1133 19.1602 19.1602 19.2377 19.2377 22.2832 22.2832 22.8306 22.8306 k = 0.1812 0.5000 0.1812 ( 1280 PWs) bands (ev): -43.6723 -43.6723 -18.0414 -18.0414 -10.5000 -10.5000 -10.2543 -10.2543 12.5581 12.5581 12.9373 12.9373 13.3667 13.3667 14.0670 14.0670 14.6183 14.6183 15.8187 15.8187 17.1231 17.1231 19.0979 19.0979 19.2011 19.2011 22.1349 22.1349 22.8070 22.8070 k = 0.1739 0.5000 0.1739 ( 1280 PWs) bands (ev): -43.6729 -43.6729 -18.0393 -18.0393 -10.4993 -10.4993 -10.2460 -10.2460 12.5580 12.5580 12.9277 12.9277 13.3528 13.3528 14.0807 14.0807 14.6524 14.6524 15.7662 15.7662 17.1328 17.1328 18.9825 18.9825 19.2172 19.2172 21.9832 21.9832 22.7861 22.7861 k = 0.1667 0.5000 0.1667 ( 1280 PWs) bands (ev): -43.6736 -43.6736 -18.0373 -18.0373 -10.4987 -10.4987 -10.2379 -10.2379 12.5575 12.5575 12.9210 12.9210 13.3397 13.3397 14.0957 14.0957 14.6887 14.6887 15.7134 15.7134 17.1424 17.1424 18.8660 18.8660 19.2342 19.2342 21.8301 21.8301 22.7660 22.7660 k = 0.1594 0.5000 0.1594 ( 1280 PWs) bands (ev): -43.6742 -43.6742 -18.0353 -18.0353 -10.4981 -10.4981 -10.2300 -10.2300 12.5563 12.5563 12.9175 12.9175 13.3275 13.3275 14.1119 14.1119 14.7270 14.7270 15.6607 15.6607 17.1520 17.1520 18.7513 18.7513 19.2496 19.2496 21.6766 21.6766 22.7457 22.7457 k = 0.1522 0.5000 0.1522 ( 1280 PWs) bands (ev): -43.6747 -43.6747 -18.0335 -18.0335 -10.4975 -10.4975 -10.2224 -10.2224 12.5543 12.5543 12.9174 12.9174 13.3160 13.3160 14.1290 14.1290 14.7669 14.7669 15.6087 15.6087 17.1615 17.1615 18.6389 18.6389 19.2630 19.2630 21.5237 21.5237 22.7247 22.7247 k = 0.1449 0.5000 0.1449 ( 1280 PWs) bands (ev): -43.6753 -43.6753 -18.0317 -18.0317 -10.4970 -10.4970 -10.2150 -10.2150 12.5511 12.5511 12.9208 12.9208 13.3054 13.3054 14.1469 14.1469 14.8079 14.8079 15.5578 15.5578 17.1711 17.1711 18.5289 18.5289 19.2744 19.2744 21.3720 21.3720 22.7028 22.7028 k = 0.1377 0.5000 0.1377 ( 1284 PWs) bands (ev): -43.6759 -43.6759 -18.0300 -18.0300 -10.4966 -10.4966 -10.2079 -10.2079 12.5469 12.5469 12.9277 12.9277 13.2955 13.2955 14.1654 14.1654 14.8495 14.8495 15.5090 15.5090 17.1806 17.1806 18.4217 18.4217 19.2838 19.2838 21.2220 21.2220 22.6799 22.6799 k = 0.1304 0.5000 0.1304 ( 1284 PWs) bands (ev): -43.6764 -43.6764 -18.0284 -18.0284 -10.4962 -10.4962 -10.2011 -10.2011 12.5416 12.5416 12.9379 12.9379 13.2865 13.2865 14.1840 14.1840 14.8907 14.8907 15.4632 15.4632 17.1902 17.1902 18.3175 18.3175 19.2912 19.2912 21.0742 21.0742 22.6560 22.6560 k = 0.1232 0.5000 0.1232 ( 1284 PWs) bands (ev): -43.6769 -43.6769 -18.0268 -18.0268 -10.4959 -10.4959 -10.1945 -10.1945 12.5354 12.5354 12.9512 12.9512 13.2784 13.2784 14.2025 14.2025 14.9302 14.9302 15.4220 15.4220 17.1998 17.1998 18.2164 18.2164 19.2966 19.2966 20.9292 20.9292 22.6312 22.6312 k = 0.1159 0.5000 0.1159 ( 1272 PWs) bands (ev): -43.6773 -43.6773 -18.0250 -18.0250 -10.4954 -10.4954 -10.1882 -10.1882 12.5284 12.5284 12.9671 12.9671 13.2712 13.2712 14.2205 14.2205 14.9660 14.9660 15.3874 15.3874 17.2095 17.2095 18.1187 18.1187 19.3001 19.3001 20.7876 20.7876 22.6058 22.6058 k = 0.1087 0.5000 0.1087 ( 1268 PWs) bands (ev): -43.6778 -43.6778 -18.0236 -18.0236 -10.4950 -10.4950 -10.1821 -10.1821 12.5210 12.5210 12.9852 12.9852 13.2650 13.2650 14.2374 14.2374 14.9950 14.9950 15.3626 15.3626 17.2192 17.2192 18.0245 18.0245 19.3017 19.3017 20.6499 20.6499 22.5800 22.5800 k = 0.1014 0.5000 0.1014 ( 1268 PWs) bands (ev): -43.6782 -43.6782 -18.0222 -18.0222 -10.4948 -10.4948 -10.1766 -10.1766 12.5132 12.5132 13.0051 13.0051 13.2599 13.2599 14.2529 14.2529 15.0140 15.0140 15.3512 15.3512 17.2290 17.2290 17.9343 17.9343 19.3012 19.3012 20.5168 20.5168 22.5540 22.5540 k = 0.0942 0.5000 0.0942 ( 1268 PWs) bands (ev): -43.6786 -43.6786 -18.0210 -18.0210 -10.4946 -10.4946 -10.1713 -10.1713 12.5052 12.5052 13.0261 13.0261 13.2562 13.2562 14.2664 14.2664 15.0209 15.0209 15.3552 15.3552 17.2388 17.2388 17.8483 17.8483 19.2986 19.2986 20.3892 20.3892 22.5281 22.5281 k = 0.0870 0.5000 0.0870 ( 1268 PWs) bands (ev): -43.6790 -43.6790 -18.0199 -18.0199 -10.4944 -10.4944 -10.1664 -10.1664 12.4974 12.4974 13.0476 13.0476 13.2540 13.2540 14.2773 14.2773 15.0169 15.0169 15.3738 15.3738 17.2486 17.2486 17.7669 17.7669 19.2937 19.2937 20.2678 20.2678 22.5028 22.5028 k = 0.0797 0.5000 0.0797 ( 1264 PWs) bands (ev): -43.6793 -43.6793 -18.0187 -18.0187 -10.4942 -10.4942 -10.1618 -10.1618 12.4897 12.4897 13.0687 13.0687 13.2538 13.2538 14.2851 14.2851 15.0057 15.0057 15.4029 15.4029 17.2580 17.2580 17.6905 17.6905 19.2862 19.2862 20.1538 20.1538 22.4782 22.4782 k = 0.0725 0.5000 0.0725 ( 1264 PWs) bands (ev): -43.6797 -43.6797 -18.0178 -18.0178 -10.4940 -10.4940 -10.1576 -10.1576 12.4824 12.4824 13.0886 13.0886 13.2560 13.2560 14.2895 14.2895 14.9916 14.9916 15.4385 15.4385 17.2670 17.2670 17.6198 17.6198 19.2758 19.2758 20.0482 20.0482 22.4547 22.4547 k = 0.0652 0.5000 0.0652 ( 1264 PWs) bands (ev): -43.6799 -43.6799 -18.0169 -18.0169 -10.4939 -10.4939 -10.1538 -10.1538 12.4755 12.4755 13.1063 13.1063 13.2612 13.2612 14.2903 14.2903 14.9776 14.9776 15.4770 15.4770 17.2749 17.2749 17.5554 17.5554 19.2621 19.2621 19.9523 19.9523 22.4325 22.4325 k = 0.0580 0.5000 0.0580 ( 1258 PWs) bands (ev): -43.6802 -43.6802 -18.0160 -18.0160 -10.4937 -10.4937 -10.1503 -10.1503 12.4692 12.4692 13.1210 13.1210 13.2696 13.2696 14.2876 14.2876 14.9653 14.9653 15.5161 15.5161 17.2808 17.2808 17.4987 17.4987 19.2447 19.2447 19.8673 19.8673 22.4120 22.4120 k = 0.0507 0.5000 0.0507 ( 1258 PWs) bands (ev): -43.6804 -43.6804 -18.0153 -18.0153 -10.4937 -10.4937 -10.1473 -10.1473 12.4635 12.4635 13.1322 13.1322 13.2810 13.2810 14.2817 14.2817 14.9557 14.9557 15.5541 15.5541 17.2829 17.2829 17.4517 17.4517 19.2237 19.2237 19.7944 19.7944 22.3933 22.3933 k = 0.0435 0.5000 0.0435 ( 1258 PWs) bands (ev): -43.6806 -43.6806 -18.0147 -18.0147 -10.4936 -10.4936 -10.1446 -10.1446 12.4584 12.4584 13.1402 13.1402 13.2947 13.2947 14.2733 14.2733 14.9489 14.9489 15.5896 15.5896 17.2785 17.2785 17.4171 17.4171 19.1995 19.1995 19.7340 19.7340 22.3767 22.3767 k = 0.0362 0.5000 0.0362 ( 1258 PWs) bands (ev): -43.6808 -43.6808 -18.0142 -18.0142 -10.4936 -10.4936 -10.1424 -10.1424 12.4540 12.4540 13.1456 13.1456 13.3094 13.3094 14.2635 14.2635 14.9445 14.9445 15.6215 15.6215 17.2658 17.2658 17.3969 17.3969 19.1734 19.1734 19.6860 19.6860 22.3623 22.3623 k = 0.0290 0.5000 0.0290 ( 1258 PWs) bands (ev): -43.6809 -43.6809 -18.0137 -18.0137 -10.4935 -10.4935 -10.1405 -10.1405 12.4504 12.4504 13.1491 13.1491 13.3237 13.3237 14.2532 14.2532 14.9421 14.9421 15.6490 15.6490 17.2474 17.2474 17.3885 17.3885 19.1473 19.1473 19.6494 19.6494 22.3503 22.3503 k = 0.0217 0.5000 0.0217 ( 1262 PWs) bands (ev): -43.6811 -43.6811 -18.0135 -18.0135 -10.4935 -10.4935 -10.1392 -10.1392 12.4475 12.4475 13.1513 13.1513 13.3363 13.3363 14.2438 14.2438 14.9410 14.9410 15.6712 15.6712 17.2285 17.2285 17.3867 17.3867 19.1237 19.1237 19.6231 19.6231 22.3408 22.3408 k = 0.0145 0.5000 0.0145 ( 1262 PWs) bands (ev): -43.6811 -43.6811 -18.0133 -18.0133 -10.4935 -10.4935 -10.1381 -10.1381 12.4455 12.4455 13.1526 13.1526 13.3461 13.3461 14.2362 14.2362 14.9407 14.9407 15.6875 15.6875 17.2131 17.2131 17.3874 17.3874 19.1049 19.1049 19.6054 19.6054 22.3340 22.3340 k = 0.0072 0.5000 0.0072 ( 1266 PWs) bands (ev): -43.6812 -43.6812 -18.0132 -18.0132 -10.4935 -10.4935 -10.1376 -10.1376 12.4443 12.4443 13.1533 13.1533 13.3523 13.3523 14.2312 14.2312 14.9408 14.9408 15.6975 15.6975 17.2033 17.2033 17.3885 17.3885 19.0928 19.0928 19.5954 19.5954 22.3299 22.3299 k = 0.0000 0.5000-0.0000 ( 1278 PWs) bands (ev): -43.6812 -43.6812 -18.0134 -18.0134 -10.4937 -10.4937 -10.1376 -10.1376 12.4438 12.4438 13.1535 13.1535 13.3544 13.3544 14.2295 14.2295 14.9408 14.9408 15.7008 15.7008 17.1999 17.1999 17.3890 17.3890 19.0886 19.0886 19.5921 19.5921 22.3285 22.3285 k = 0.5000 0.5000-0.0000 ( 1260 PWs) bands (ev): -43.6660 -43.6660 -18.0598 -18.0598 -10.5769 -10.5769 -10.2417 -10.2417 11.6393 11.6393 11.8037 11.8037 13.4119 13.4119 13.7806 13.7806 16.5238 16.5238 17.1752 17.1752 18.4815 18.4815 18.5508 18.5508 20.5361 20.5361 23.3957 23.3957 23.4444 23.4444 k = 0.5000 0.5000 0.0102 ( 1260 PWs) bands (ev): -43.6659 -43.6659 -18.0598 -18.0598 -10.5769 -10.5769 -10.2420 -10.2420 11.6415 11.6415 11.8055 11.8055 13.4120 13.4120 13.7804 13.7804 16.5239 16.5239 17.1753 17.1753 18.4770 18.4770 18.5470 18.5470 20.5380 20.5380 23.4009 23.4009 23.4490 23.4490 k = 0.5000 0.5000 0.0204 ( 1268 PWs) bands (ev): -43.6659 -43.6659 -18.0602 -18.0602 -10.5769 -10.5769 -10.2431 -10.2431 11.6483 11.6483 11.8108 11.8108 13.4121 13.4121 13.7796 13.7796 16.5242 16.5242 17.1758 17.1758 18.4637 18.4637 18.5356 18.5356 20.5436 20.5436 23.4164 23.4164 23.4628 23.4628 k = 0.5000 0.5000 0.0306 ( 1268 PWs) bands (ev): -43.6658 -43.6658 -18.0605 -18.0605 -10.5767 -10.5767 -10.2448 -10.2448 11.6594 11.6594 11.8197 11.8197 13.4124 13.4124 13.7785 13.7785 16.5248 16.5248 17.1765 17.1765 18.4417 18.4417 18.5168 18.5168 20.5530 20.5530 23.4418 23.4418 23.4856 23.4856 k = 0.5000 0.5000 0.0408 ( 1276 PWs) bands (ev): -43.6657 -43.6657 -18.0611 -18.0611 -10.5767 -10.5767 -10.2472 -10.2472 11.6750 11.6750 11.8321 11.8321 13.4129 13.4129 13.7769 13.7769 16.5256 16.5256 17.1774 17.1774 18.4114 18.4114 18.4908 18.4908 20.5661 20.5661 23.4769 23.4769 23.5171 23.5171 k = 0.5000 0.5000 0.0510 ( 1276 PWs) bands (ev): -43.6656 -43.6656 -18.0617 -18.0617 -10.5764 -10.5764 -10.2502 -10.2502 11.6951 11.6951 11.8479 11.8479 13.4134 13.4134 13.7749 13.7749 16.5266 16.5266 17.1786 17.1786 18.3733 18.3733 18.4580 18.4580 20.5831 20.5831 23.5209 23.5209 23.5571 23.5571 k = 0.5000 0.5000 0.0612 ( 1276 PWs) bands (ev): -43.6654 -43.6654 -18.0624 -18.0624 -10.5761 -10.5761 -10.2537 -10.2537 11.7196 11.7196 11.8671 11.8671 13.4142 13.4142 13.7725 13.7725 16.5278 16.5278 17.1799 17.1799 18.3279 18.3279 18.4188 18.4188 20.6038 20.6038 23.5731 23.5731 23.6051 23.6051 k = 0.5000 0.5000 0.0714 ( 1268 PWs) bands (ev): -43.6652 -43.6652 -18.0630 -18.0630 -10.5758 -10.5758 -10.2577 -10.2577 11.7484 11.7484 11.8897 11.8897 13.4153 13.4153 13.7697 13.7697 16.5293 16.5293 17.1813 17.1813 18.2760 18.2760 18.3736 18.3736 20.6283 20.6283 23.6326 23.6326 23.6606 23.6606 k = 0.5000 0.5000 0.0816 ( 1268 PWs) bands (ev): -43.6649 -43.6649 -18.0640 -18.0640 -10.5754 -10.5754 -10.2625 -10.2625 11.7816 11.7816 11.9155 11.9155 13.4165 13.4165 13.7666 13.7666 16.5310 16.5310 17.1827 17.1827 18.2181 18.2181 18.3230 18.3230 20.6567 20.6567 23.6982 23.6982 23.7233 23.7233 k = 0.5000 0.5000 0.0918 ( 1268 PWs) bands (ev): -43.6646 -43.6646 -18.0650 -18.0650 -10.5749 -10.5749 -10.2678 -10.2678 11.8190 11.8190 11.9444 11.9444 13.4181 13.4181 13.7631 13.7631 16.5329 16.5329 17.1839 17.1839 18.1551 18.1551 18.2674 18.2674 20.6890 20.6890 23.7682 23.7682 23.7925 23.7925 k = 0.5000 0.5000 0.1020 ( 1268 PWs) bands (ev): -43.6643 -43.6643 -18.0662 -18.0662 -10.5744 -10.5744 -10.2737 -10.2737 11.8606 11.8606 11.9764 11.9764 13.4201 13.4201 13.7593 13.7593 16.5349 16.5349 17.1848 17.1848 18.0877 18.0877 18.2074 18.2074 20.7252 20.7252 23.8407 23.8407 23.8678 23.8678 k = 0.5000 0.5000 0.1122 ( 1276 PWs) bands (ev): -43.6640 -43.6640 -18.0676 -18.0676 -10.5741 -10.5741 -10.2802 -10.2802 11.9064 11.9064 12.0112 12.0112 13.4225 13.4225 13.7554 13.7554 16.5372 16.5372 17.1851 17.1851 18.0167 18.0167 18.1434 18.1434 20.7653 20.7653 23.9130 23.9130 23.9486 23.9486 k = 0.5000 0.5000 0.1224 ( 1276 PWs) bands (ev): -43.6637 -43.6637 -18.0689 -18.0689 -10.5735 -10.5735 -10.2871 -10.2871 11.9562 11.9562 12.0488 12.0488 13.4254 13.4254 13.7512 13.7512 16.5397 16.5397 17.1845 17.1845 17.9431 17.9431 18.0761 18.0761 20.8094 20.8094 23.9814 23.9814 24.0344 24.0344 k = 0.5000 0.5000 0.1327 ( 1276 PWs) bands (ev): -43.6633 -43.6633 -18.0704 -18.0704 -10.5729 -10.5729 -10.2944 -10.2944 12.0100 12.0100 12.0889 12.0889 13.4289 13.4289 13.7468 13.7468 16.5423 16.5423 17.1826 17.1826 17.8678 17.8678 18.0059 18.0059 20.8575 20.8575 24.0418 24.0418 24.1248 24.1248 k = 0.5000 0.5000 0.1429 ( 1276 PWs) bands (ev): -43.6629 -43.6629 -18.0719 -18.0719 -10.5722 -10.5722 -10.3022 -10.3022 12.0676 12.0676 12.1315 12.1315 13.4331 13.4331 13.7423 13.7423 16.5451 16.5451 17.1787 17.1787 17.7920 17.7920 17.9333 17.9333 20.9097 20.9097 24.0912 24.0912 24.2192 24.2192 k = 0.5000 0.5000 0.1531 ( 1276 PWs) bands (ev): -43.6625 -43.6625 -18.0735 -18.0735 -10.5715 -10.5715 -10.3104 -10.3104 12.1290 12.1290 12.1763 12.1763 13.4381 13.4381 13.7378 13.7378 16.5480 16.5480 17.1717 17.1717 17.7172 17.7172 17.8587 17.8587 20.9660 20.9660 24.1290 24.1290 24.3173 24.3173 k = 0.5000 0.5000 0.1633 ( 1284 PWs) bands (ev): -43.6621 -43.6621 -18.0754 -18.0754 -10.5709 -10.5709 -10.3190 -10.3190 12.1938 12.1938 12.2233 12.2233 13.4441 13.4441 13.7332 13.7332 16.5511 16.5511 17.1603 17.1603 17.6451 17.6451 17.7826 17.7826 21.0265 21.0265 24.1572 24.1572 24.4186 24.4186 k = 0.5000 0.5000 0.1735 ( 1284 PWs) bands (ev): -43.6616 -43.6616 -18.0772 -18.0772 -10.5702 -10.5702 -10.3278 -10.3278 12.2620 12.2620 12.2721 12.2721 13.4513 13.4513 13.7286 13.7286 16.5542 16.5542 17.1424 17.1424 17.5781 17.5781 17.7053 17.7053 21.0911 21.0911 24.1782 24.1782 24.5228 24.5228 k = 0.5000 0.5000 0.1837 ( 1276 PWs) bands (ev): -43.6611 -43.6611 -18.0788 -18.0788 -10.5693 -10.5693 -10.3367 -10.3367 12.3225 12.3225 12.3333 12.3333 13.4599 13.4599 13.7242 13.7242 16.5575 16.5575 17.1156 17.1156 17.5191 17.5191 17.6272 17.6272 21.1600 21.1600 24.1940 24.1940 24.6293 24.6293 k = 0.5000 0.5000 0.1939 ( 1272 PWs) bands (ev): -43.6606 -43.6606 -18.0806 -18.0806 -10.5684 -10.5684 -10.3460 -10.3460 12.3745 12.3745 12.4073 12.4073 13.4701 13.4701 13.7198 13.7198 16.5608 16.5608 17.0776 17.0776 17.4706 17.4706 17.5488 17.5488 21.2332 21.2332 24.2059 24.2059 24.7380 24.7380 k = 0.5000 0.5000 0.2041 ( 1272 PWs) bands (ev): -43.6601 -43.6601 -18.0825 -18.0825 -10.5676 -10.5676 -10.3555 -10.3555 12.4276 12.4276 12.4836 12.4836 13.4822 13.4822 13.7156 13.7156 16.5642 16.5642 17.0277 17.0277 17.4335 17.4335 17.4702 17.4702 21.3107 21.3107 24.2143 24.2143 24.8484 24.8484 k = 0.5000 0.5000 0.2143 ( 1272 PWs) bands (ev): -43.6596 -43.6596 -18.0845 -18.0845 -10.5668 -10.5668 -10.3652 -10.3652 12.4818 12.4818 12.5618 12.5618 13.4968 13.4968 13.7116 13.7116 16.5675 16.5675 16.9671 16.9671 17.3919 17.3919 17.4069 17.4069 21.3925 21.3925 24.2189 24.2189 24.9602 24.9602 k = 0.5000 0.5000 0.2245 ( 1272 PWs) bands (ev): -43.6591 -43.6591 -18.0865 -18.0865 -10.5660 -10.5660 -10.3750 -10.3750 12.5368 12.5368 12.6411 12.6411 13.5145 13.5145 13.7079 13.7079 16.5708 16.5708 16.8984 16.8984 17.3142 17.3142 17.3883 17.3883 21.4787 21.4787 24.2178 24.2178 24.8884 24.8884 k = 0.5000 0.5000 0.2347 ( 1272 PWs) bands (ev): -43.6586 -43.6586 -18.0885 -18.0885 -10.5652 -10.5652 -10.3848 -10.3848 12.5923 12.5923 12.7209 12.7209 13.5358 13.5358 13.7044 13.7044 16.5738 16.5738 16.8242 16.8242 17.2374 17.2374 17.3753 17.3753 21.5693 21.5693 24.2057 24.2057 24.7082 24.7082 k = 0.5000 0.5000 0.2449 ( 1272 PWs) bands (ev): -43.6580 -43.6580 -18.0906 -18.0906 -10.5643 -10.5643 -10.3947 -10.3947 12.6482 12.6482 12.8000 12.8000 13.5618 13.5618 13.7013 13.7013 16.5767 16.5767 16.7467 16.7467 17.1619 17.1619 17.3658 17.3658 21.6642 21.6642 24.1676 24.1676 24.5445 24.5445 k = 0.5000 0.5000 0.2551 ( 1272 PWs) bands (ev): -43.6575 -43.6575 -18.0926 -18.0926 -10.5634 -10.5634 -10.4046 -10.4046 12.7041 12.7041 12.8771 12.8771 13.5937 13.5937 13.6985 13.6985 16.5790 16.5790 16.6675 16.6675 17.0879 17.0879 17.3583 17.3583 21.7635 21.7635 24.0743 24.0743 24.4334 24.4334 k = 0.5000 0.5000 0.2653 ( 1272 PWs) bands (ev): -43.6570 -43.6570 -18.0947 -18.0947 -10.5626 -10.5626 -10.4144 -10.4144 12.7598 12.7598 12.9507 12.9507 13.6327 13.6327 13.6962 13.6962 16.5807 16.5807 16.5877 16.5877 17.0161 17.0161 17.3519 17.3519 21.8672 21.8672 23.9202 23.9202 24.3831 24.3831 k = 0.5000 0.5000 0.2755 ( 1284 PWs) bands (ev): -43.6565 -43.6565 -18.0969 -18.0969 -10.5618 -10.5618 -10.4244 -10.4244 12.8150 12.8150 13.0194 13.0194 13.6802 13.6802 13.6942 13.6942 16.5081 16.5081 16.5813 16.5813 16.9469 16.9469 17.3457 17.3457 21.9751 21.9751 23.7352 23.7352 24.3647 24.3647 k = 0.5000 0.5000 0.2857 ( 1284 PWs) bands (ev): -43.6560 -43.6560 -18.0989 -18.0989 -10.5609 -10.5609 -10.4340 -10.4340 12.8696 12.8696 13.0818 13.0818 13.6927 13.6927 13.7374 13.7374 16.4295 16.4295 16.5800 16.5800 16.8813 16.8813 17.3391 17.3391 22.0873 22.0873 23.5395 23.5395 24.3589 24.3589 k = 0.5000 0.5000 0.2959 ( 1284 PWs) bands (ev): -43.6555 -43.6555 -18.1009 -18.1009 -10.5601 -10.5601 -10.4435 -10.4435 12.9232 12.9232 13.1370 13.1370 13.6917 13.6917 13.8049 13.8049 16.3522 16.3522 16.5754 16.5754 16.8209 16.8209 17.3317 17.3317 22.2035 22.2035 23.3410 23.3410 24.3585 24.3585 k = 0.5000 0.5000 0.3061 ( 1284 PWs) bands (ev): -43.6550 -43.6550 -18.1029 -18.1029 -10.5593 -10.5593 -10.4527 -10.4527 12.9757 12.9757 13.1850 13.1850 13.6911 13.6911 13.8825 13.8825 16.2767 16.2767 16.5652 16.5652 16.7681 16.7681 17.3230 17.3230 22.3238 22.3238 23.1430 23.1430 24.3607 24.3607 k = 0.5000 0.5000 0.3163 ( 1288 PWs) bands (ev): -43.6545 -43.6545 -18.1049 -18.1049 -10.5585 -10.5585 -10.4618 -10.4618 13.0268 13.0268 13.2263 13.2263 13.6911 13.6911 13.9693 13.9693 16.2035 16.2035 16.5460 16.5460 16.7267 16.7267 17.3127 17.3127 22.4478 22.4478 22.9474 22.9474 24.3642 24.3642 k = 0.5000 0.5000 0.3265 ( 1288 PWs) bands (ev): -43.6540 -43.6540 -18.1067 -18.1067 -10.5577 -10.5577 -10.4705 -10.4705 13.0762 13.0762 13.2619 13.2619 13.6916 13.6916 14.0640 14.0640 16.1329 16.1329 16.5153 16.5153 16.6990 16.6990 17.3004 17.3004 22.5753 22.5753 22.7554 22.7554 24.3685 24.3685 k = 0.5000 0.5000 0.3367 ( 1296 PWs) bands (ev): -43.6536 -43.6536 -18.1087 -18.1087 -10.5572 -10.5572 -10.4789 -10.4789 13.1237 13.1237 13.2926 13.2926 13.6926 13.6926 14.1651 14.1651 16.0653 16.0653 16.4750 16.4750 16.6833 16.6833 17.2858 17.2858 22.5679 22.5679 22.7061 22.7061 24.3731 24.3731 k = 0.5000 0.5000 0.3469 ( 1296 PWs) bands (ev): -43.6531 -43.6531 -18.1104 -18.1104 -10.5564 -10.5564 -10.4870 -10.4870 13.1691 13.1691 13.3196 13.3196 13.6941 13.6941 14.2712 14.2712 16.0013 16.0013 16.4296 16.4296 16.6755 16.6755 17.2684 17.2684 22.3858 22.3858 22.8398 22.8398 24.3778 24.3778 k = 0.5000 0.5000 0.3571 ( 1296 PWs) bands (ev): -43.6527 -43.6527 -18.1121 -18.1121 -10.5558 -10.5558 -10.4947 -10.4947 13.2122 13.2122 13.3437 13.3437 13.6961 13.6961 14.3807 14.3807 15.9412 15.9412 16.3825 16.3825 16.6721 16.6721 17.2480 17.2480 22.2099 22.2099 22.9759 22.9759 24.3826 24.3826 k = 0.5000 0.5000 0.3673 ( 1296 PWs) bands (ev): -43.6523 -43.6523 -18.1137 -18.1137 -10.5551 -10.5551 -10.5020 -10.5020 13.2528 13.2528 13.3653 13.3653 13.6987 13.6987 14.4922 14.4922 15.8857 15.8857 16.3358 16.3358 16.6712 16.6712 17.2241 17.2241 22.0410 22.0410 23.1137 23.1137 24.3873 24.3873 k = 0.5000 0.5000 0.3776 ( 1296 PWs) bands (ev): -43.6519 -43.6519 -18.1152 -18.1152 -10.5545 -10.5545 -10.5088 -10.5088 13.2906 13.2906 13.3850 13.3850 13.7017 13.7017 14.6041 14.6041 15.8356 15.8356 16.2907 16.2907 16.6716 16.6716 17.1965 17.1965 21.8800 21.8800 23.2526 23.2526 24.3918 24.3918 k = 0.5000 0.5000 0.3878 ( 1292 PWs) bands (ev): -43.6515 -43.6515 -18.1165 -18.1165 -10.5539 -10.5539 -10.5151 -10.5151 13.3256 13.3256 13.4031 13.4031 13.7052 13.7052 14.7146 14.7146 15.7921 15.7921 16.2479 16.2479 16.6727 16.6727 17.1649 17.1649 21.7276 21.7276 23.3917 23.3917 24.3961 24.3961 k = 0.5000 0.5000 0.3980 ( 1292 PWs) bands (ev): -43.6512 -43.6512 -18.1178 -18.1178 -10.5534 -10.5534 -10.5211 -10.5211 13.3575 13.3575 13.4196 13.4196 13.7091 13.7091 14.8215 14.8215 15.7566 15.7566 16.2080 16.2080 16.6743 16.6743 17.1290 17.1290 21.5846 21.5846 23.5299 23.5299 24.4001 24.4001 k = 0.5000 0.5000 0.4082 ( 1292 PWs) bands (ev): -43.6509 -43.6509 -18.1190 -18.1190 -10.5529 -10.5529 -10.5265 -10.5265 13.3863 13.3863 13.4348 13.4348 13.7134 13.7134 14.9221 14.9221 15.7314 15.7314 16.1711 16.1711 16.6761 16.6761 17.0887 17.0887 21.4521 21.4521 23.6657 23.6657 24.4039 24.4039 k = 0.5000 0.5000 0.4184 ( 1292 PWs) bands (ev): -43.6506 -43.6506 -18.1200 -18.1200 -10.5524 -10.5524 -10.5314 -10.5314 13.4119 13.4119 13.4486 13.4486 13.7179 13.7179 15.0124 15.0124 15.7194 15.7194 16.1376 16.1376 16.6779 16.6779 17.0440 17.0440 21.3307 21.3307 23.7975 23.7975 24.4073 24.4073 k = 0.5000 0.5000 0.4286 ( 1308 PWs) bands (ev): -43.6504 -43.6504 -18.1213 -18.1213 -10.5523 -10.5523 -10.5360 -10.5360 13.4342 13.4342 13.4611 13.4611 13.7225 13.7225 15.0883 15.0883 15.7239 15.7239 16.1076 16.1076 16.6797 16.6797 16.9951 16.9951 21.2214 21.2214 23.9234 23.9234 24.4104 24.4104 k = 0.5000 0.5000 0.4388 ( 1308 PWs) bands (ev): -43.6502 -43.6502 -18.1222 -18.1222 -10.5519 -10.5519 -10.5398 -10.5398 13.4533 13.4533 13.4721 13.4721 13.7271 13.7271 15.1460 15.1460 15.7474 15.7474 16.0814 16.0814 16.6813 16.6813 16.9425 16.9425 21.1249 21.1249 24.0410 24.0410 24.4131 24.4131 k = 0.5000 0.5000 0.4490 ( 1312 PWs) bands (ev): -43.6500 -43.6500 -18.1230 -18.1230 -10.5517 -10.5517 -10.5432 -10.5432 13.4692 13.4692 13.4817 13.4817 13.7314 13.7314 15.1850 15.1850 15.7889 15.7889 16.0589 16.0589 16.6828 16.6828 16.8873 16.8873 21.0419 21.0419 24.1477 24.1477 24.4154 24.4154 k = 0.5000 0.5000 0.4592 ( 1328 PWs) bands (ev): -43.6499 -43.6499 -18.1239 -18.1239 -10.5515 -10.5515 -10.5462 -10.5462 13.4820 13.4820 13.4896 13.4896 13.7353 13.7353 15.2081 15.2081 15.8431 15.8431 16.0404 16.0404 16.6841 16.6841 16.8314 16.8314 20.9730 20.9730 24.2407 24.2407 24.4173 24.4173 k = 0.5000 0.5000 0.4694 ( 1328 PWs) bands (ev): -43.6498 -43.6498 -18.1244 -18.1244 -10.5513 -10.5513 -10.5483 -10.5483 13.4918 13.4918 13.4959 13.4959 13.7386 13.7386 15.2202 15.2202 15.9017 15.9017 16.0260 16.0260 16.6851 16.6851 16.7777 16.7777 20.9189 20.9189 24.3170 24.3170 24.4188 24.4188 k = 0.5000 0.5000 0.4796 ( 1328 PWs) bands (ev): -43.6497 -43.6497 -18.1247 -18.1247 -10.5512 -10.5512 -10.5498 -10.5498 13.4987 13.4987 13.5005 13.5005 13.7411 13.7411 15.2258 15.2258 15.9551 15.9551 16.0156 16.0156 16.6858 16.6858 16.7312 16.7312 20.8800 20.8800 24.3738 24.3738 24.4199 24.4199 k = 0.5000 0.5000 0.4898 ( 1328 PWs) bands (ev): -43.6497 -43.6497 -18.1249 -18.1249 -10.5511 -10.5511 -10.5507 -10.5507 13.5028 13.5028 13.5033 13.5033 13.7426 13.7426 15.2280 15.2280 15.9932 15.9932 16.0093 16.0093 16.6863 16.6863 16.6984 16.6984 20.8565 20.8565 24.4089 24.4089 24.4206 24.4206 k = 0.5000 0.5000 0.5000 ( 1328 PWs) bands (ev): -43.6497 -43.6497 -18.1250 -18.1250 -10.5511 -10.5511 -10.5511 -10.5511 13.5042 13.5042 13.5042 13.5042 13.7432 13.7432 15.2285 15.2285 16.0072 16.0072 16.0072 16.0072 16.6864 16.6864 16.6864 16.6864 20.8486 20.8486 24.4208 24.4208 24.4208 24.4208 Writing output data file HfPt.save init_run : 0.16s CPU 0.29s WALL ( 1 calls) electrons : 44.40s CPU 45.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 44.39s CPU 45.72s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 376 calls) cegterg : 40.64s CPU 41.57s WALL ( 382 calls) Called by sum_band: Called by *egterg: h_psi : 18.65s CPU 19.63s WALL ( 5842 calls) s_psi : 1.03s CPU 1.05s WALL ( 5842 calls) g_psi : 0.05s CPU 0.05s WALL ( 5084 calls) cdiaghg : 20.55s CPU 20.49s WALL ( 5460 calls) cegterg:over : 1.29s CPU 1.39s WALL ( 5084 calls) cegterg:upda : 0.94s CPU 0.93s WALL ( 5084 calls) cegterg:last : 0.51s CPU 0.50s WALL ( 1172 calls) cdiaghg:chol : 0.97s CPU 1.01s WALL ( 5460 calls) cdiaghg:inve : 0.50s CPU 0.54s WALL ( 5460 calls) cdiaghg:para : 1.09s CPU 1.14s WALL ( 10920 calls) Called by h_psi: h_psi:vloc : 16.43s CPU 17.24s WALL ( 5842 calls) h_psi:vnl : 2.18s CPU 2.36s WALL ( 5842 calls) add_vuspsi : 1.33s CPU 1.41s WALL ( 5842 calls) General routines calbec : 0.84s CPU 0.94s WALL ( 5842 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 15.00s CPU 15.85s WALL ( 481956 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.23s WALL ( 752 calls) Parallel routines fft_scatter : 8.33s CPU 8.83s WALL ( 481979 calls) PWSCF : 0m52.25s CPU 1m 4.98s WALL This run was terminated on: 18:58: 6 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=