Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:18: 3 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: ./ZrZn.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 24 17 5 538 327 57 Max 26 18 6 540 340 62 Sum 877 633 193 19381 11981 2103 bravais-lattice index = 14 lattice parameter (alat) = 6.3041 a.u. unit-cell volume = 250.5386 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.304126 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 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 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Zn 12.00 65.40900 Zn( 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= 366 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0000000 0.0104167 -0.0000000), wk = 0.0027322 k( 3) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0027322 k( 4) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0027322 k( 5) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0027322 k( 6) = ( 0.0000000 0.0520833 -0.0000000), wk = 0.0027322 k( 7) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0027322 k( 8) = ( 0.0000000 0.0729167 -0.0000000), wk = 0.0027322 k( 9) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0027322 k( 10) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0027322 k( 11) = ( 0.0000000 0.1041667 -0.0000000), wk = 0.0027322 k( 12) = ( 0.0000000 0.1145833 -0.0000000), wk = 0.0027322 k( 13) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027322 k( 14) = ( 0.0000000 0.1354167 -0.0000000), wk = 0.0027322 k( 15) = ( 0.0000000 0.1458333 -0.0000000), wk = 0.0027322 k( 16) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0027322 k( 17) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027322 k( 18) = ( 0.0000000 0.1770833 -0.0000000), wk = 0.0027322 k( 19) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0027322 k( 20) = ( 0.0000000 0.1979167 -0.0000000), wk = 0.0027322 k( 21) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0027322 k( 22) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0027322 k( 23) = ( 0.0000000 0.2291667 -0.0000000), wk = 0.0027322 k( 24) = ( 0.0000000 0.2395833 -0.0000000), wk = 0.0027322 k( 25) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027322 k( 26) = ( 0.0000000 0.2604167 -0.0000000), wk = 0.0027322 k( 27) = ( 0.0000000 0.2708333 -0.0000000), wk = 0.0027322 k( 28) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0027322 k( 29) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0027322 k( 30) = ( 0.0000000 0.3020833 -0.0000000), wk = 0.0027322 k( 31) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0027322 k( 32) = ( 0.0000000 0.3229167 -0.0000000), wk = 0.0027322 k( 33) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027322 k( 34) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0027322 k( 35) = ( 0.0000000 0.3541667 -0.0000000), wk = 0.0027322 k( 36) = ( 0.0000000 0.3645833 -0.0000000), wk = 0.0027322 k( 37) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027322 k( 38) = ( 0.0000000 0.3854167 -0.0000000), wk = 0.0027322 k( 39) = ( 0.0000000 0.3958333 -0.0000000), wk = 0.0027322 k( 40) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0027322 k( 41) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0027322 k( 42) = ( 0.0000000 0.4270833 -0.0000000), wk = 0.0027322 k( 43) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0027322 k( 44) = ( 0.0000000 0.4479167 -0.0000000), wk = 0.0027322 k( 45) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0027322 k( 46) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0027322 k( 47) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0027322 k( 48) = ( 0.0000000 0.4895833 -0.0000000), wk = 0.0027322 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 51) = ( 0.0104167 0.5000000 -0.0000000), wk = 0.0027322 k( 52) = ( 0.0208333 0.5000000 -0.0000000), wk = 0.0027322 k( 53) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0027322 k( 54) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0027322 k( 55) = ( 0.0520833 0.5000000 -0.0000000), wk = 0.0027322 k( 56) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0027322 k( 57) = ( 0.0729167 0.5000000 -0.0000000), wk = 0.0027322 k( 58) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0027322 k( 59) = ( 0.0937500 0.5000000 -0.0000000), wk = 0.0027322 k( 60) = ( 0.1041667 0.5000000 -0.0000000), wk = 0.0027322 k( 61) = ( 0.1145833 0.5000000 -0.0000000), wk = 0.0027322 k( 62) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027322 k( 63) = ( 0.1354167 0.5000000 -0.0000000), wk = 0.0027322 k( 64) = ( 0.1458333 0.5000000 -0.0000000), wk = 0.0027322 k( 65) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0027322 k( 66) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027322 k( 67) = ( 0.1770833 0.5000000 -0.0000000), wk = 0.0027322 k( 68) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0027322 k( 69) = ( 0.1979167 0.5000000 -0.0000000), wk = 0.0027322 k( 70) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0027322 k( 71) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0027322 k( 72) = ( 0.2291667 0.5000000 -0.0000000), wk = 0.0027322 k( 73) = ( 0.2395833 0.5000000 -0.0000000), wk = 0.0027322 k( 74) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027322 k( 75) = ( 0.2604167 0.5000000 -0.0000000), wk = 0.0027322 k( 76) = ( 0.2708333 0.5000000 -0.0000000), wk = 0.0027322 k( 77) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0027322 k( 78) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0027322 k( 79) = ( 0.3020833 0.5000000 -0.0000000), wk = 0.0027322 k( 80) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0027322 k( 81) = ( 0.3229167 0.5000000 -0.0000000), wk = 0.0027322 k( 82) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027322 k( 83) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0027322 k( 84) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0027322 k( 85) = ( 0.3645833 0.5000000 -0.0000000), wk = 0.0027322 k( 86) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027322 k( 87) = ( 0.3854167 0.5000000 -0.0000000), wk = 0.0027322 k( 88) = ( 0.3958333 0.5000000 -0.0000000), wk = 0.0027322 k( 89) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0027322 k( 90) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0027322 k( 91) = ( 0.4270833 0.5000000 -0.0000000), wk = 0.0027322 k( 92) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0027322 k( 93) = ( 0.4479167 0.5000000 -0.0000000), wk = 0.0027322 k( 94) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0027322 k( 95) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0027322 k( 96) = ( 0.4791667 0.5000000 -0.0000000), wk = 0.0027322 k( 97) = ( 0.4895833 0.5000000 -0.0000000), wk = 0.0027322 k( 98) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 99) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 100) = ( 0.4925373 0.4925373 -0.0000000), wk = 0.0027322 k( 101) = ( 0.4850746 0.4850746 -0.0000000), wk = 0.0027322 k( 102) = ( 0.4776119 0.4776119 -0.0000000), wk = 0.0027322 k( 103) = ( 0.4701493 0.4701492 -0.0000000), wk = 0.0027322 k( 104) = ( 0.4626866 0.4626866 -0.0000000), wk = 0.0027322 k( 105) = ( 0.4552239 0.4552239 -0.0000000), wk = 0.0027322 k( 106) = ( 0.4477612 0.4477612 -0.0000000), wk = 0.0027322 k( 107) = ( 0.4402985 0.4402985 -0.0000000), wk = 0.0027322 k( 108) = ( 0.4328358 0.4328358 -0.0000000), wk = 0.0027322 k( 109) = ( 0.4253731 0.4253731 -0.0000000), wk = 0.0027322 k( 110) = ( 0.4179104 0.4179104 -0.0000000), wk = 0.0027322 k( 111) = ( 0.4104478 0.4104478 -0.0000000), wk = 0.0027322 k( 112) = ( 0.4029851 0.4029851 -0.0000000), wk = 0.0027322 k( 113) = ( 0.3955224 0.3955224 -0.0000000), wk = 0.0027322 k( 114) = ( 0.3880597 0.3880597 -0.0000000), wk = 0.0027322 k( 115) = ( 0.3805970 0.3805970 -0.0000000), wk = 0.0027322 k( 116) = ( 0.3731343 0.3731343 -0.0000000), wk = 0.0027322 k( 117) = ( 0.3656716 0.3656716 -0.0000000), wk = 0.0027322 k( 118) = ( 0.3582090 0.3582090 -0.0000000), wk = 0.0027322 k( 119) = ( 0.3507463 0.3507463 -0.0000000), wk = 0.0027322 k( 120) = ( 0.3432836 0.3432836 -0.0000000), wk = 0.0027322 k( 121) = ( 0.3358209 0.3358209 -0.0000000), wk = 0.0027322 k( 122) = ( 0.3283582 0.3283582 -0.0000000), wk = 0.0027322 k( 123) = ( 0.3208955 0.3208955 -0.0000000), wk = 0.0027322 k( 124) = ( 0.3134328 0.3134328 -0.0000000), wk = 0.0027322 k( 125) = ( 0.3059701 0.3059701 -0.0000000), wk = 0.0027322 k( 126) = ( 0.2985075 0.2985075 -0.0000000), wk = 0.0027322 k( 127) = ( 0.2910448 0.2910448 -0.0000000), wk = 0.0027322 k( 128) = ( 0.2835821 0.2835821 -0.0000000), wk = 0.0027322 k( 129) = ( 0.2761194 0.2761194 -0.0000000), wk = 0.0027322 k( 130) = ( 0.2686567 0.2686567 -0.0000000), wk = 0.0027322 k( 131) = ( 0.2611940 0.2611940 -0.0000000), wk = 0.0027322 k( 132) = ( 0.2537313 0.2537313 -0.0000000), wk = 0.0027322 k( 133) = ( 0.2462687 0.2462687 -0.0000000), wk = 0.0027322 k( 134) = ( 0.2388060 0.2388060 -0.0000000), wk = 0.0027322 k( 135) = ( 0.2313433 0.2313433 -0.0000000), wk = 0.0027322 k( 136) = ( 0.2238806 0.2238806 -0.0000000), wk = 0.0027322 k( 137) = ( 0.2164179 0.2164179 -0.0000000), wk = 0.0027322 k( 138) = ( 0.2089552 0.2089552 -0.0000000), wk = 0.0027322 k( 139) = ( 0.2014925 0.2014925 -0.0000000), wk = 0.0027322 k( 140) = ( 0.1940299 0.1940298 -0.0000000), wk = 0.0027322 k( 141) = ( 0.1865672 0.1865672 -0.0000000), wk = 0.0027322 k( 142) = ( 0.1791045 0.1791045 -0.0000000), wk = 0.0027322 k( 143) = ( 0.1716418 0.1716418 -0.0000000), wk = 0.0027322 k( 144) = ( 0.1641791 0.1641791 -0.0000000), wk = 0.0027322 k( 145) = ( 0.1567164 0.1567164 -0.0000000), wk = 0.0027322 k( 146) = ( 0.1492537 0.1492537 -0.0000000), wk = 0.0027322 k( 147) = ( 0.1417910 0.1417910 -0.0000000), wk = 0.0027322 k( 148) = ( 0.1343284 0.1343284 -0.0000000), wk = 0.0027322 k( 149) = ( 0.1268657 0.1268657 -0.0000000), wk = 0.0027322 k( 150) = ( 0.1194030 0.1194030 -0.0000000), wk = 0.0027322 k( 151) = ( 0.1119403 0.1119403 -0.0000000), wk = 0.0027322 k( 152) = ( 0.1044776 0.1044776 -0.0000000), wk = 0.0027322 k( 153) = ( 0.0970149 0.0970149 -0.0000000), wk = 0.0027322 k( 154) = ( 0.0895522 0.0895522 -0.0000000), wk = 0.0027322 k( 155) = ( 0.0820895 0.0820895 -0.0000000), wk = 0.0027322 k( 156) = ( 0.0746269 0.0746269 -0.0000000), wk = 0.0027322 k( 157) = ( 0.0671642 0.0671642 -0.0000000), wk = 0.0027322 k( 158) = ( 0.0597015 0.0597015 -0.0000000), wk = 0.0027322 k( 159) = ( 0.0522388 0.0522388 -0.0000000), wk = 0.0027322 k( 160) = ( 0.0447761 0.0447761 -0.0000000), wk = 0.0027322 k( 161) = ( 0.0373134 0.0373134 -0.0000000), wk = 0.0027322 k( 162) = ( 0.0298507 0.0298507 -0.0000000), wk = 0.0027322 k( 163) = ( 0.0223881 0.0223881 -0.0000000), wk = 0.0027322 k( 164) = ( 0.0149254 0.0149254 -0.0000000), wk = 0.0027322 k( 165) = ( 0.0074627 0.0074627 -0.0000000), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 168) = ( 0.0060976 0.0060976 0.0060976), wk = 0.0027322 k( 169) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0027322 k( 170) = ( 0.0182927 0.0182927 0.0182927), wk = 0.0027322 k( 171) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0027322 k( 172) = ( 0.0304878 0.0304878 0.0304878), wk = 0.0027322 k( 173) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0027322 k( 174) = ( 0.0426829 0.0426829 0.0426829), wk = 0.0027322 k( 175) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0027322 k( 176) = ( 0.0548780 0.0548780 0.0548780), wk = 0.0027322 k( 177) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0027322 k( 178) = ( 0.0670732 0.0670732 0.0670732), wk = 0.0027322 k( 179) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0027322 k( 180) = ( 0.0792683 0.0792683 0.0792683), wk = 0.0027322 k( 181) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0027322 k( 182) = ( 0.0914634 0.0914634 0.0914634), wk = 0.0027322 k( 183) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0027322 k( 184) = ( 0.1036585 0.1036585 0.1036585), wk = 0.0027322 k( 185) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0027322 k( 186) = ( 0.1158537 0.1158537 0.1158537), wk = 0.0027322 k( 187) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0027322 k( 188) = ( 0.1280488 0.1280488 0.1280488), wk = 0.0027322 k( 189) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0027322 k( 190) = ( 0.1402439 0.1402439 0.1402439), wk = 0.0027322 k( 191) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0027322 k( 192) = ( 0.1524390 0.1524390 0.1524390), wk = 0.0027322 k( 193) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0027322 k( 194) = ( 0.1646342 0.1646341 0.1646341), wk = 0.0027322 k( 195) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0027322 k( 196) = ( 0.1768293 0.1768293 0.1768293), wk = 0.0027322 k( 197) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0027322 k( 198) = ( 0.1890244 0.1890244 0.1890244), wk = 0.0027322 k( 199) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0027322 k( 200) = ( 0.2012195 0.2012195 0.2012195), wk = 0.0027322 k( 201) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0027322 k( 202) = ( 0.2134146 0.2134146 0.2134146), wk = 0.0027322 k( 203) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0027322 k( 204) = ( 0.2256098 0.2256098 0.2256098), wk = 0.0027322 k( 205) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0027322 k( 206) = ( 0.2378049 0.2378049 0.2378049), wk = 0.0027322 k( 207) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0027322 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027322 k( 209) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0027322 k( 210) = ( 0.2621951 0.2621951 0.2621951), wk = 0.0027322 k( 211) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0027322 k( 212) = ( 0.2743902 0.2743902 0.2743902), wk = 0.0027322 k( 213) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0027322 k( 214) = ( 0.2865854 0.2865854 0.2865854), wk = 0.0027322 k( 215) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0027322 k( 216) = ( 0.2987805 0.2987805 0.2987805), wk = 0.0027322 k( 217) = ( 0.3048781 0.3048780 0.3048780), wk = 0.0027322 k( 218) = ( 0.3109756 0.3109756 0.3109756), wk = 0.0027322 k( 219) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0027322 k( 220) = ( 0.3231707 0.3231707 0.3231707), wk = 0.0027322 k( 221) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0027322 k( 222) = ( 0.3353659 0.3353658 0.3353658), wk = 0.0027322 k( 223) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0027322 k( 224) = ( 0.3475610 0.3475610 0.3475610), wk = 0.0027322 k( 225) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0027322 k( 226) = ( 0.3597561 0.3597561 0.3597561), wk = 0.0027322 k( 227) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0027322 k( 228) = ( 0.3719512 0.3719512 0.3719512), wk = 0.0027322 k( 229) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0027322 k( 230) = ( 0.3841463 0.3841463 0.3841463), wk = 0.0027322 k( 231) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0027322 k( 232) = ( 0.3963415 0.3963415 0.3963415), wk = 0.0027322 k( 233) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0027322 k( 234) = ( 0.4085366 0.4085366 0.4085366), wk = 0.0027322 k( 235) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0027322 k( 236) = ( 0.4207317 0.4207317 0.4207317), wk = 0.0027322 k( 237) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0027322 k( 238) = ( 0.4329268 0.4329268 0.4329268), wk = 0.0027322 k( 239) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0027322 k( 240) = ( 0.4451219 0.4451219 0.4451219), wk = 0.0027322 k( 241) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0027322 k( 242) = ( 0.4573171 0.4573171 0.4573171), wk = 0.0027322 k( 243) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0027322 k( 244) = ( 0.4695122 0.4695122 0.4695122), wk = 0.0027322 k( 245) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0027322 k( 246) = ( 0.4817073 0.4817073 0.4817073), wk = 0.0027322 k( 247) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0027322 k( 248) = ( 0.4939024 0.4939024 0.4939024), wk = 0.0027322 k( 249) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 250) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 251) = ( 0.4925373 0.5000000 0.4925373), wk = 0.0027322 k( 252) = ( 0.4850746 0.5000000 0.4850746), wk = 0.0027322 k( 253) = ( 0.4776119 0.5000000 0.4776119), wk = 0.0027322 k( 254) = ( 0.4701493 0.5000000 0.4701492), wk = 0.0027322 k( 255) = ( 0.4626866 0.5000000 0.4626866), wk = 0.0027322 k( 256) = ( 0.4552239 0.5000000 0.4552239), wk = 0.0027322 k( 257) = ( 0.4477612 0.5000000 0.4477612), wk = 0.0027322 k( 258) = ( 0.4402985 0.5000000 0.4402985), wk = 0.0027322 k( 259) = ( 0.4328358 0.5000000 0.4328358), wk = 0.0027322 k( 260) = ( 0.4253731 0.5000000 0.4253731), wk = 0.0027322 k( 261) = ( 0.4179104 0.5000000 0.4179104), wk = 0.0027322 k( 262) = ( 0.4104478 0.5000000 0.4104478), wk = 0.0027322 k( 263) = ( 0.4029851 0.5000000 0.4029851), wk = 0.0027322 k( 264) = ( 0.3955224 0.5000000 0.3955224), wk = 0.0027322 k( 265) = ( 0.3880597 0.5000000 0.3880597), wk = 0.0027322 k( 266) = ( 0.3805970 0.5000000 0.3805970), wk = 0.0027322 k( 267) = ( 0.3731343 0.5000000 0.3731343), wk = 0.0027322 k( 268) = ( 0.3656716 0.5000000 0.3656716), wk = 0.0027322 k( 269) = ( 0.3582090 0.5000000 0.3582090), wk = 0.0027322 k( 270) = ( 0.3507463 0.5000000 0.3507463), wk = 0.0027322 k( 271) = ( 0.3432836 0.5000000 0.3432836), wk = 0.0027322 k( 272) = ( 0.3358209 0.5000000 0.3358209), wk = 0.0027322 k( 273) = ( 0.3283582 0.5000000 0.3283582), wk = 0.0027322 k( 274) = ( 0.3208955 0.5000000 0.3208955), wk = 0.0027322 k( 275) = ( 0.3134328 0.5000000 0.3134328), wk = 0.0027322 k( 276) = ( 0.3059701 0.5000000 0.3059701), wk = 0.0027322 k( 277) = ( 0.2985075 0.5000000 0.2985075), wk = 0.0027322 k( 278) = ( 0.2910448 0.5000000 0.2910448), wk = 0.0027322 k( 279) = ( 0.2835821 0.5000000 0.2835821), wk = 0.0027322 k( 280) = ( 0.2761194 0.5000000 0.2761194), wk = 0.0027322 k( 281) = ( 0.2686567 0.5000000 0.2686567), wk = 0.0027322 k( 282) = ( 0.2611940 0.5000000 0.2611940), wk = 0.0027322 k( 283) = ( 0.2537313 0.5000000 0.2537313), wk = 0.0027322 k( 284) = ( 0.2462687 0.5000000 0.2462687), wk = 0.0027322 k( 285) = ( 0.2388060 0.5000000 0.2388060), wk = 0.0027322 k( 286) = ( 0.2313433 0.5000000 0.2313433), wk = 0.0027322 k( 287) = ( 0.2238806 0.5000000 0.2238806), wk = 0.0027322 k( 288) = ( 0.2164179 0.5000000 0.2164179), wk = 0.0027322 k( 289) = ( 0.2089552 0.5000000 0.2089552), wk = 0.0027322 k( 290) = ( 0.2014925 0.5000000 0.2014925), wk = 0.0027322 k( 291) = ( 0.1940299 0.5000000 0.1940298), wk = 0.0027322 k( 292) = ( 0.1865672 0.5000000 0.1865672), wk = 0.0027322 k( 293) = ( 0.1791045 0.5000000 0.1791045), wk = 0.0027322 k( 294) = ( 0.1716418 0.5000000 0.1716418), wk = 0.0027322 k( 295) = ( 0.1641791 0.5000000 0.1641791), wk = 0.0027322 k( 296) = ( 0.1567164 0.5000000 0.1567164), wk = 0.0027322 k( 297) = ( 0.1492537 0.5000000 0.1492537), wk = 0.0027322 k( 298) = ( 0.1417910 0.5000000 0.1417910), wk = 0.0027322 k( 299) = ( 0.1343284 0.5000000 0.1343284), wk = 0.0027322 k( 300) = ( 0.1268657 0.5000000 0.1268657), wk = 0.0027322 k( 301) = ( 0.1194030 0.5000000 0.1194030), wk = 0.0027322 k( 302) = ( 0.1119403 0.5000000 0.1119403), wk = 0.0027322 k( 303) = ( 0.1044776 0.5000000 0.1044776), wk = 0.0027322 k( 304) = ( 0.0970149 0.5000000 0.0970149), wk = 0.0027322 k( 305) = ( 0.0895522 0.5000000 0.0895522), wk = 0.0027322 k( 306) = ( 0.0820895 0.5000000 0.0820895), wk = 0.0027322 k( 307) = ( 0.0746269 0.5000000 0.0746269), wk = 0.0027322 k( 308) = ( 0.0671642 0.5000000 0.0671642), wk = 0.0027322 k( 309) = ( 0.0597015 0.5000000 0.0597015), wk = 0.0027322 k( 310) = ( 0.0522388 0.5000000 0.0522388), wk = 0.0027322 k( 311) = ( 0.0447761 0.5000000 0.0447761), wk = 0.0027322 k( 312) = ( 0.0373134 0.5000000 0.0373134), wk = 0.0027322 k( 313) = ( 0.0298507 0.5000000 0.0298507), wk = 0.0027322 k( 314) = ( 0.0223881 0.5000000 0.0223881), wk = 0.0027322 k( 315) = ( 0.0149254 0.5000000 0.0149254), wk = 0.0027322 k( 316) = ( 0.0074627 0.5000000 0.0074627), wk = 0.0027322 k( 317) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 318) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 319) = ( 0.5000000 0.5000000 0.0104167), wk = 0.0027322 k( 320) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0027322 k( 321) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0027322 k( 322) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0027322 k( 323) = ( 0.5000000 0.5000000 0.0520833), wk = 0.0027322 k( 324) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0027322 k( 325) = ( 0.5000000 0.5000000 0.0729167), wk = 0.0027322 k( 326) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0027322 k( 327) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0027322 k( 328) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0027322 k( 329) = ( 0.5000000 0.5000000 0.1145833), wk = 0.0027322 k( 330) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0027322 k( 331) = ( 0.5000000 0.5000000 0.1354167), wk = 0.0027322 k( 332) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0027322 k( 333) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0027322 k( 334) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0027322 k( 335) = ( 0.5000000 0.5000000 0.1770833), wk = 0.0027322 k( 336) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0027322 k( 337) = ( 0.5000000 0.5000000 0.1979167), wk = 0.0027322 k( 338) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0027322 k( 339) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0027322 k( 340) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0027322 k( 341) = ( 0.5000000 0.5000000 0.2395833), wk = 0.0027322 k( 342) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027322 k( 343) = ( 0.5000000 0.5000000 0.2604167), wk = 0.0027322 k( 344) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0027322 k( 345) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0027322 k( 346) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0027322 k( 347) = ( 0.5000000 0.5000000 0.3020833), wk = 0.0027322 k( 348) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0027322 k( 349) = ( 0.5000000 0.5000000 0.3229167), wk = 0.0027322 k( 350) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0027322 k( 351) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0027322 k( 352) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0027322 k( 353) = ( 0.5000000 0.5000000 0.3645833), wk = 0.0027322 k( 354) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0027322 k( 355) = ( 0.5000000 0.5000000 0.3854167), wk = 0.0027322 k( 356) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0027322 k( 357) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0027322 k( 358) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0027322 k( 359) = ( 0.5000000 0.5000000 0.4270833), wk = 0.0027322 k( 360) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0027322 k( 361) = ( 0.5000000 0.5000000 0.4479167), wk = 0.0027322 k( 362) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0027322 k( 363) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0027322 k( 364) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0027322 k( 365) = ( 0.5000000 0.5000000 0.4895833), wk = 0.0027322 k( 366) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0000000 0.0104167 0.0000000), wk = 0.0027322 k( 3) = ( 0.0000000 0.0208333 0.0000000), wk = 0.0027322 k( 4) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0027322 k( 5) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0027322 k( 6) = ( 0.0000000 0.0520833 0.0000000), wk = 0.0027322 k( 7) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0027322 k( 8) = ( 0.0000000 0.0729167 0.0000000), wk = 0.0027322 k( 9) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0027322 k( 10) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0027322 k( 11) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0027322 k( 12) = ( 0.0000000 0.1145833 0.0000000), wk = 0.0027322 k( 13) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0027322 k( 14) = ( 0.0000000 0.1354167 0.0000000), wk = 0.0027322 k( 15) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0027322 k( 16) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0027322 k( 17) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0027322 k( 18) = ( 0.0000000 0.1770833 0.0000000), wk = 0.0027322 k( 19) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0027322 k( 20) = ( 0.0000000 0.1979167 0.0000000), wk = 0.0027322 k( 21) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0027322 k( 22) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0027322 k( 23) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0027322 k( 24) = ( 0.0000000 0.2395833 0.0000000), wk = 0.0027322 k( 25) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0027322 k( 26) = ( 0.0000000 0.2604167 0.0000000), wk = 0.0027322 k( 27) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0027322 k( 28) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0027322 k( 29) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0027322 k( 30) = ( 0.0000000 0.3020833 0.0000000), wk = 0.0027322 k( 31) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0027322 k( 32) = ( 0.0000000 0.3229167 0.0000000), wk = 0.0027322 k( 33) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0027322 k( 34) = ( 0.0000000 0.3437500 0.0000000), wk = 0.0027322 k( 35) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0027322 k( 36) = ( 0.0000000 0.3645833 0.0000000), wk = 0.0027322 k( 37) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0027322 k( 38) = ( 0.0000000 0.3854167 0.0000000), wk = 0.0027322 k( 39) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0027322 k( 40) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0027322 k( 41) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0027322 k( 42) = ( 0.0000000 0.4270833 0.0000000), wk = 0.0027322 k( 43) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0027322 k( 44) = ( 0.0000000 0.4479167 0.0000000), wk = 0.0027322 k( 45) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0027322 k( 46) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0027322 k( 47) = ( 0.0000000 0.4791667 0.0000000), wk = 0.0027322 k( 48) = ( 0.0000000 0.4895833 0.0000000), wk = 0.0027322 k( 49) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027322 k( 50) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027322 k( 51) = ( 0.0104167 0.5000000 0.0000000), wk = 0.0027322 k( 52) = ( 0.0208333 0.5000000 0.0000000), wk = 0.0027322 k( 53) = ( 0.0312500 0.5000000 0.0000000), wk = 0.0027322 k( 54) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0027322 k( 55) = ( 0.0520833 0.5000000 0.0000000), wk = 0.0027322 k( 56) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0027322 k( 57) = ( 0.0729167 0.5000000 0.0000000), wk = 0.0027322 k( 58) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0027322 k( 59) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0027322 k( 60) = ( 0.1041667 0.5000000 0.0000000), wk = 0.0027322 k( 61) = ( 0.1145833 0.5000000 0.0000000), wk = 0.0027322 k( 62) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0027322 k( 63) = ( 0.1354167 0.5000000 0.0000000), wk = 0.0027322 k( 64) = ( 0.1458333 0.5000000 0.0000000), wk = 0.0027322 k( 65) = ( 0.1562500 0.5000000 0.0000000), wk = 0.0027322 k( 66) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0027322 k( 67) = ( 0.1770833 0.5000000 0.0000000), wk = 0.0027322 k( 68) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0027322 k( 69) = ( 0.1979167 0.5000000 0.0000000), wk = 0.0027322 k( 70) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0027322 k( 71) = ( 0.2187500 0.5000000 0.0000000), wk = 0.0027322 k( 72) = ( 0.2291667 0.5000000 0.0000000), wk = 0.0027322 k( 73) = ( 0.2395833 0.5000000 0.0000000), wk = 0.0027322 k( 74) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027322 k( 75) = ( 0.2604167 0.5000000 0.0000000), wk = 0.0027322 k( 76) = ( 0.2708333 0.5000000 0.0000000), wk = 0.0027322 k( 77) = ( 0.2812500 0.5000000 0.0000000), wk = 0.0027322 k( 78) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0027322 k( 79) = ( 0.3020833 0.5000000 0.0000000), wk = 0.0027322 k( 80) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0027322 k( 81) = ( 0.3229167 0.5000000 0.0000000), wk = 0.0027322 k( 82) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027322 k( 83) = ( 0.3437500 0.5000000 0.0000000), wk = 0.0027322 k( 84) = ( 0.3541667 0.5000000 0.0000000), wk = 0.0027322 k( 85) = ( 0.3645833 0.5000000 0.0000000), wk = 0.0027322 k( 86) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0027322 k( 87) = ( 0.3854167 0.5000000 0.0000000), wk = 0.0027322 k( 88) = ( 0.3958333 0.5000000 0.0000000), wk = 0.0027322 k( 89) = ( 0.4062500 0.5000000 0.0000000), wk = 0.0027322 k( 90) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0027322 k( 91) = ( 0.4270833 0.5000000 0.0000000), wk = 0.0027322 k( 92) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0027322 k( 93) = ( 0.4479167 0.5000000 -0.0000000), wk = 0.0027322 k( 94) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0027322 k( 95) = ( 0.4687500 0.5000000 0.0000000), wk = 0.0027322 k( 96) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0027322 k( 97) = ( 0.4895833 0.5000000 0.0000000), wk = 0.0027322 k( 98) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027322 k( 99) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027322 k( 100) = ( 0.4925373 0.4925373 0.0000000), wk = 0.0027322 k( 101) = ( 0.4850746 0.4850746 0.0000000), wk = 0.0027322 k( 102) = ( 0.4776119 0.4776119 0.0000000), wk = 0.0027322 k( 103) = ( 0.4701493 0.4701493 0.0000000), wk = 0.0027322 k( 104) = ( 0.4626866 0.4626866 0.0000000), wk = 0.0027322 k( 105) = ( 0.4552239 0.4552239 0.0000000), wk = 0.0027322 k( 106) = ( 0.4477612 0.4477612 0.0000000), wk = 0.0027322 k( 107) = ( 0.4402985 0.4402985 0.0000000), wk = 0.0027322 k( 108) = ( 0.4328358 0.4328358 0.0000000), wk = 0.0027322 k( 109) = ( 0.4253731 0.4253731 0.0000000), wk = 0.0027322 k( 110) = ( 0.4179104 0.4179104 0.0000000), wk = 0.0027322 k( 111) = ( 0.4104478 0.4104478 0.0000000), wk = 0.0027322 k( 112) = ( 0.4029851 0.4029851 0.0000000), wk = 0.0027322 k( 113) = ( 0.3955224 0.3955224 0.0000000), wk = 0.0027322 k( 114) = ( 0.3880597 0.3880597 0.0000000), wk = 0.0027322 k( 115) = ( 0.3805970 0.3805970 0.0000000), wk = 0.0027322 k( 116) = ( 0.3731343 0.3731343 0.0000000), wk = 0.0027322 k( 117) = ( 0.3656716 0.3656716 0.0000000), wk = 0.0027322 k( 118) = ( 0.3582090 0.3582090 0.0000000), wk = 0.0027322 k( 119) = ( 0.3507463 0.3507463 0.0000000), wk = 0.0027322 k( 120) = ( 0.3432836 0.3432836 0.0000000), wk = 0.0027322 k( 121) = ( 0.3358209 0.3358209 0.0000000), wk = 0.0027322 k( 122) = ( 0.3283582 0.3283582 0.0000000), wk = 0.0027322 k( 123) = ( 0.3208955 0.3208955 0.0000000), wk = 0.0027322 k( 124) = ( 0.3134328 0.3134328 0.0000000), wk = 0.0027322 k( 125) = ( 0.3059701 0.3059701 0.0000000), wk = 0.0027322 k( 126) = ( 0.2985075 0.2985075 0.0000000), wk = 0.0027322 k( 127) = ( 0.2910448 0.2910448 0.0000000), wk = 0.0027322 k( 128) = ( 0.2835821 0.2835821 0.0000000), wk = 0.0027322 k( 129) = ( 0.2761194 0.2761194 0.0000000), wk = 0.0027322 k( 130) = ( 0.2686567 0.2686567 0.0000000), wk = 0.0027322 k( 131) = ( 0.2611940 0.2611940 0.0000000), wk = 0.0027322 k( 132) = ( 0.2537313 0.2537313 0.0000000), wk = 0.0027322 k( 133) = ( 0.2462687 0.2462687 0.0000000), wk = 0.0027322 k( 134) = ( 0.2388060 0.2388060 0.0000000), wk = 0.0027322 k( 135) = ( 0.2313433 0.2313433 0.0000000), wk = 0.0027322 k( 136) = ( 0.2238806 0.2238806 0.0000000), wk = 0.0027322 k( 137) = ( 0.2164179 0.2164179 0.0000000), wk = 0.0027322 k( 138) = ( 0.2089552 0.2089552 0.0000000), wk = 0.0027322 k( 139) = ( 0.2014925 0.2014925 0.0000000), wk = 0.0027322 k( 140) = ( 0.1940299 0.1940299 0.0000000), wk = 0.0027322 k( 141) = ( 0.1865672 0.1865672 0.0000000), wk = 0.0027322 k( 142) = ( 0.1791045 0.1791045 0.0000000), wk = 0.0027322 k( 143) = ( 0.1716418 0.1716418 0.0000000), wk = 0.0027322 k( 144) = ( 0.1641791 0.1641791 0.0000000), wk = 0.0027322 k( 145) = ( 0.1567164 0.1567164 0.0000000), wk = 0.0027322 k( 146) = ( 0.1492537 0.1492537 0.0000000), wk = 0.0027322 k( 147) = ( 0.1417910 0.1417910 0.0000000), wk = 0.0027322 k( 148) = ( 0.1343284 0.1343284 0.0000000), wk = 0.0027322 k( 149) = ( 0.1268657 0.1268657 0.0000000), wk = 0.0027322 k( 150) = ( 0.1194030 0.1194030 0.0000000), wk = 0.0027322 k( 151) = ( 0.1119403 0.1119403 0.0000000), wk = 0.0027322 k( 152) = ( 0.1044776 0.1044776 0.0000000), wk = 0.0027322 k( 153) = ( 0.0970149 0.0970149 0.0000000), wk = 0.0027322 k( 154) = ( 0.0895522 0.0895522 0.0000000), wk = 0.0027322 k( 155) = ( 0.0820895 0.0820895 0.0000000), wk = 0.0027322 k( 156) = ( 0.0746269 0.0746269 0.0000000), wk = 0.0027322 k( 157) = ( 0.0671642 0.0671642 0.0000000), wk = 0.0027322 k( 158) = ( 0.0597015 0.0597015 0.0000000), wk = 0.0027322 k( 159) = ( 0.0522388 0.0522388 0.0000000), wk = 0.0027322 k( 160) = ( 0.0447761 0.0447761 0.0000000), wk = 0.0027322 k( 161) = ( 0.0373134 0.0373134 0.0000000), wk = 0.0027322 k( 162) = ( 0.0298507 0.0298507 0.0000000), wk = 0.0027322 k( 163) = ( 0.0223881 0.0223881 0.0000000), wk = 0.0027322 k( 164) = ( 0.0149254 0.0149254 0.0000000), wk = 0.0027322 k( 165) = ( 0.0074627 0.0074627 0.0000000), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 168) = ( 0.0060976 0.0060976 0.0060976), wk = 0.0027322 k( 169) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0027322 k( 170) = ( 0.0182927 0.0182927 0.0182927), wk = 0.0027322 k( 171) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0027322 k( 172) = ( 0.0304878 0.0304878 0.0304878), wk = 0.0027322 k( 173) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0027322 k( 174) = ( 0.0426829 0.0426829 0.0426829), wk = 0.0027322 k( 175) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0027322 k( 176) = ( 0.0548780 0.0548780 0.0548780), wk = 0.0027322 k( 177) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0027322 k( 178) = ( 0.0670732 0.0670732 0.0670732), wk = 0.0027322 k( 179) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0027322 k( 180) = ( 0.0792683 0.0792683 0.0792683), wk = 0.0027322 k( 181) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0027322 k( 182) = ( 0.0914634 0.0914634 0.0914634), wk = 0.0027322 k( 183) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0027322 k( 184) = ( 0.1036585 0.1036585 0.1036585), wk = 0.0027322 k( 185) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0027322 k( 186) = ( 0.1158537 0.1158537 0.1158537), wk = 0.0027322 k( 187) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0027322 k( 188) = ( 0.1280488 0.1280488 0.1280488), wk = 0.0027322 k( 189) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0027322 k( 190) = ( 0.1402439 0.1402439 0.1402439), wk = 0.0027322 k( 191) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0027322 k( 192) = ( 0.1524390 0.1524390 0.1524390), wk = 0.0027322 k( 193) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0027322 k( 194) = ( 0.1646342 0.1646342 0.1646342), wk = 0.0027322 k( 195) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0027322 k( 196) = ( 0.1768293 0.1768293 0.1768293), wk = 0.0027322 k( 197) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0027322 k( 198) = ( 0.1890244 0.1890244 0.1890244), wk = 0.0027322 k( 199) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0027322 k( 200) = ( 0.2012195 0.2012195 0.2012195), wk = 0.0027322 k( 201) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0027322 k( 202) = ( 0.2134146 0.2134146 0.2134146), wk = 0.0027322 k( 203) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0027322 k( 204) = ( 0.2256098 0.2256098 0.2256098), wk = 0.0027322 k( 205) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0027322 k( 206) = ( 0.2378049 0.2378049 0.2378049), wk = 0.0027322 k( 207) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0027322 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027322 k( 209) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0027322 k( 210) = ( 0.2621951 0.2621951 0.2621951), wk = 0.0027322 k( 211) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0027322 k( 212) = ( 0.2743902 0.2743902 0.2743902), wk = 0.0027322 k( 213) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0027322 k( 214) = ( 0.2865854 0.2865854 0.2865854), wk = 0.0027322 k( 215) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0027322 k( 216) = ( 0.2987805 0.2987805 0.2987805), wk = 0.0027322 k( 217) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0027322 k( 218) = ( 0.3109756 0.3109756 0.3109756), wk = 0.0027322 k( 219) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0027322 k( 220) = ( 0.3231707 0.3231707 0.3231707), wk = 0.0027322 k( 221) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0027322 k( 222) = ( 0.3353659 0.3353659 0.3353659), wk = 0.0027322 k( 223) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0027322 k( 224) = ( 0.3475610 0.3475610 0.3475610), wk = 0.0027322 k( 225) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0027322 k( 226) = ( 0.3597561 0.3597561 0.3597561), wk = 0.0027322 k( 227) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0027322 k( 228) = ( 0.3719512 0.3719512 0.3719512), wk = 0.0027322 k( 229) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0027322 k( 230) = ( 0.3841463 0.3841463 0.3841463), wk = 0.0027322 k( 231) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0027322 k( 232) = ( 0.3963415 0.3963415 0.3963415), wk = 0.0027322 k( 233) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0027322 k( 234) = ( 0.4085366 0.4085366 0.4085366), wk = 0.0027322 k( 235) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0027322 k( 236) = ( 0.4207317 0.4207317 0.4207317), wk = 0.0027322 k( 237) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0027322 k( 238) = ( 0.4329268 0.4329268 0.4329268), wk = 0.0027322 k( 239) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0027322 k( 240) = ( 0.4451219 0.4451219 0.4451219), wk = 0.0027322 k( 241) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0027322 k( 242) = ( 0.4573171 0.4573171 0.4573171), wk = 0.0027322 k( 243) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0027322 k( 244) = ( 0.4695122 0.4695122 0.4695122), wk = 0.0027322 k( 245) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0027322 k( 246) = ( 0.4817073 0.4817073 0.4817073), wk = 0.0027322 k( 247) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0027322 k( 248) = ( 0.4939024 0.4939024 0.4939024), wk = 0.0027322 k( 249) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 250) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 251) = ( 0.4925373 0.5000000 0.4925373), wk = 0.0027322 k( 252) = ( 0.4850746 0.5000000 0.4850746), wk = 0.0027322 k( 253) = ( 0.4776119 0.5000000 0.4776119), wk = 0.0027322 k( 254) = ( 0.4701493 0.5000000 0.4701493), wk = 0.0027322 k( 255) = ( 0.4626866 0.5000000 0.4626866), wk = 0.0027322 k( 256) = ( 0.4552239 0.5000000 0.4552239), wk = 0.0027322 k( 257) = ( 0.4477612 0.5000000 0.4477612), wk = 0.0027322 k( 258) = ( 0.4402985 0.5000000 0.4402985), wk = 0.0027322 k( 259) = ( 0.4328358 0.5000000 0.4328358), wk = 0.0027322 k( 260) = ( 0.4253731 0.5000000 0.4253731), wk = 0.0027322 k( 261) = ( 0.4179104 0.5000000 0.4179104), wk = 0.0027322 k( 262) = ( 0.4104478 0.5000000 0.4104478), wk = 0.0027322 k( 263) = ( 0.4029851 0.5000000 0.4029851), wk = 0.0027322 k( 264) = ( 0.3955224 0.5000000 0.3955224), wk = 0.0027322 k( 265) = ( 0.3880597 0.5000000 0.3880597), wk = 0.0027322 k( 266) = ( 0.3805970 0.5000000 0.3805970), wk = 0.0027322 k( 267) = ( 0.3731343 0.5000000 0.3731343), wk = 0.0027322 k( 268) = ( 0.3656716 0.5000000 0.3656716), wk = 0.0027322 k( 269) = ( 0.3582090 0.5000000 0.3582090), wk = 0.0027322 k( 270) = ( 0.3507463 0.5000000 0.3507463), wk = 0.0027322 k( 271) = ( 0.3432836 0.5000000 0.3432836), wk = 0.0027322 k( 272) = ( 0.3358209 0.5000000 0.3358209), wk = 0.0027322 k( 273) = ( 0.3283582 0.5000000 0.3283582), wk = 0.0027322 k( 274) = ( 0.3208955 0.5000000 0.3208955), wk = 0.0027322 k( 275) = ( 0.3134328 0.5000000 0.3134328), wk = 0.0027322 k( 276) = ( 0.3059701 0.5000000 0.3059701), wk = 0.0027322 k( 277) = ( 0.2985075 0.5000000 0.2985075), wk = 0.0027322 k( 278) = ( 0.2910448 0.5000000 0.2910448), wk = 0.0027322 k( 279) = ( 0.2835821 0.5000000 0.2835821), wk = 0.0027322 k( 280) = ( 0.2761194 0.5000000 0.2761194), wk = 0.0027322 k( 281) = ( 0.2686567 0.5000000 0.2686567), wk = 0.0027322 k( 282) = ( 0.2611940 0.5000000 0.2611940), wk = 0.0027322 k( 283) = ( 0.2537313 0.5000000 0.2537313), wk = 0.0027322 k( 284) = ( 0.2462687 0.5000000 0.2462687), wk = 0.0027322 k( 285) = ( 0.2388060 0.5000000 0.2388060), wk = 0.0027322 k( 286) = ( 0.2313433 0.5000000 0.2313433), wk = 0.0027322 k( 287) = ( 0.2238806 0.5000000 0.2238806), wk = 0.0027322 k( 288) = ( 0.2164179 0.5000000 0.2164179), wk = 0.0027322 k( 289) = ( 0.2089552 0.5000000 0.2089552), wk = 0.0027322 k( 290) = ( 0.2014925 0.5000000 0.2014925), wk = 0.0027322 k( 291) = ( 0.1940299 0.5000000 0.1940299), wk = 0.0027322 k( 292) = ( 0.1865672 0.5000000 0.1865672), wk = 0.0027322 k( 293) = ( 0.1791045 0.5000000 0.1791045), wk = 0.0027322 k( 294) = ( 0.1716418 0.5000000 0.1716418), wk = 0.0027322 k( 295) = ( 0.1641791 0.5000000 0.1641791), wk = 0.0027322 k( 296) = ( 0.1567164 0.5000000 0.1567164), wk = 0.0027322 k( 297) = ( 0.1492537 0.5000000 0.1492537), wk = 0.0027322 k( 298) = ( 0.1417910 0.5000000 0.1417910), wk = 0.0027322 k( 299) = ( 0.1343284 0.5000000 0.1343284), wk = 0.0027322 k( 300) = ( 0.1268657 0.5000000 0.1268657), wk = 0.0027322 k( 301) = ( 0.1194030 0.5000000 0.1194030), wk = 0.0027322 k( 302) = ( 0.1119403 0.5000000 0.1119403), wk = 0.0027322 k( 303) = ( 0.1044776 0.5000000 0.1044776), wk = 0.0027322 k( 304) = ( 0.0970149 0.5000000 0.0970149), wk = 0.0027322 k( 305) = ( 0.0895522 0.5000000 0.0895522), wk = 0.0027322 k( 306) = ( 0.0820895 0.5000000 0.0820895), wk = 0.0027322 k( 307) = ( 0.0746269 0.5000000 0.0746269), wk = 0.0027322 k( 308) = ( 0.0671642 0.5000000 0.0671642), wk = 0.0027322 k( 309) = ( 0.0597015 0.5000000 0.0597015), wk = 0.0027322 k( 310) = ( 0.0522388 0.5000000 0.0522388), wk = 0.0027322 k( 311) = ( 0.0447761 0.5000000 0.0447761), wk = 0.0027322 k( 312) = ( 0.0373134 0.5000000 0.0373134), wk = 0.0027322 k( 313) = ( 0.0298507 0.5000000 0.0298507), wk = 0.0027322 k( 314) = ( 0.0223881 0.5000000 0.0223881), wk = 0.0027322 k( 315) = ( 0.0149254 0.5000000 0.0149254), wk = 0.0027322 k( 316) = ( 0.0074627 0.5000000 0.0074627), wk = 0.0027322 k( 317) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027322 k( 318) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027322 k( 319) = ( 0.5000000 0.5000000 0.0104167), wk = 0.0027322 k( 320) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0027322 k( 321) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0027322 k( 322) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0027322 k( 323) = ( 0.5000000 0.5000000 0.0520833), wk = 0.0027322 k( 324) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0027322 k( 325) = ( 0.5000000 0.5000000 0.0729167), wk = 0.0027322 k( 326) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0027322 k( 327) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0027322 k( 328) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0027322 k( 329) = ( 0.5000000 0.5000000 0.1145833), wk = 0.0027322 k( 330) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0027322 k( 331) = ( 0.5000000 0.5000000 0.1354167), wk = 0.0027322 k( 332) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0027322 k( 333) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0027322 k( 334) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0027322 k( 335) = ( 0.5000000 0.5000000 0.1770833), wk = 0.0027322 k( 336) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0027322 k( 337) = ( 0.5000000 0.5000000 0.1979167), wk = 0.0027322 k( 338) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0027322 k( 339) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0027322 k( 340) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0027322 k( 341) = ( 0.5000000 0.5000000 0.2395833), wk = 0.0027322 k( 342) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027322 k( 343) = ( 0.5000000 0.5000000 0.2604167), wk = 0.0027322 k( 344) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0027322 k( 345) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0027322 k( 346) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0027322 k( 347) = ( 0.5000000 0.5000000 0.3020833), wk = 0.0027322 k( 348) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0027322 k( 349) = ( 0.5000000 0.5000000 0.3229167), wk = 0.0027322 k( 350) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0027322 k( 351) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0027322 k( 352) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0027322 k( 353) = ( 0.5000000 0.5000000 0.3645833), wk = 0.0027322 k( 354) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0027322 k( 355) = ( 0.5000000 0.5000000 0.3854167), wk = 0.0027322 k( 356) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0027322 k( 357) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0027322 k( 358) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0027322 k( 359) = ( 0.5000000 0.5000000 0.4270833), wk = 0.0027322 k( 360) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0027322 k( 361) = ( 0.5000000 0.5000000 0.4479167), wk = 0.0027322 k( 362) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0027322 k( 363) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0027322 k( 364) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0027322 k( 365) = ( 0.5000000 0.5000000 0.4895833), wk = 0.0027322 k( 366) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 Dense grid: 19381 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 11981 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 92, 24) NL pseudopotentials 0.04 Mb ( 46, 50) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 539) G-vector shells 0.00 Mb ( 153) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 92, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 50, 2, 24) The potential is recalculated from file : ./ZrZn.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.1 secs Computing kpt #: 7 total cpu time spent up to now is 2.2 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.5 secs Computing kpt #: 11 total cpu time spent up to now is 2.6 secs Computing kpt #: 12 total cpu time spent up to now is 2.7 secs Computing kpt #: 13 total cpu time spent up to now is 2.8 secs Computing kpt #: 14 total cpu time spent up to now is 2.9 secs Computing kpt #: 15 total cpu time spent up to now is 3.0 secs Computing kpt #: 16 total cpu time spent up to now is 3.0 secs Computing kpt #: 17 total cpu time spent up to now is 3.1 secs Computing kpt #: 18 total cpu time spent up to now is 3.6 secs Computing kpt #: 19 total cpu time spent up to now is 3.7 secs Computing kpt #: 20 total cpu time spent up to now is 3.8 secs Computing kpt #: 21 total cpu time spent up to now is 3.9 secs Computing kpt #: 22 total cpu time spent up to now is 3.9 secs Computing kpt #: 23 total cpu time spent up to now is 4.0 secs Computing kpt #: 24 total cpu time spent up to now is 4.1 secs Computing kpt #: 25 total cpu time spent up to now is 4.2 secs Computing kpt #: 26 total cpu time spent up to now is 4.2 secs Computing kpt #: 27 total cpu time spent up to now is 4.3 secs Computing kpt #: 28 total cpu time spent up to now is 4.4 secs Computing kpt #: 29 total cpu time spent up to now is 4.4 secs Computing kpt #: 30 total cpu time spent up to now is 4.5 secs Computing kpt #: 31 total cpu time spent up to now is 4.6 secs Computing kpt #: 32 total cpu time spent up to now is 4.7 secs Computing kpt #: 33 total cpu time spent up to now is 4.7 secs Computing kpt #: 34 total cpu time spent up to now is 4.8 secs Computing kpt #: 35 total cpu time spent up to now is 4.9 secs Computing kpt #: 36 total cpu time spent up to now is 4.9 secs Computing kpt #: 37 total cpu time spent up to now is 5.0 secs Computing kpt #: 38 total cpu time spent up to now is 5.1 secs Computing kpt #: 39 total cpu time spent up to now is 5.2 secs Computing kpt #: 40 total cpu time spent up to now is 5.2 secs Computing kpt #: 41 total cpu time spent up to now is 5.3 secs Computing kpt #: 42 total cpu time spent up to now is 5.4 secs Computing kpt #: 43 total cpu time spent up to now is 5.4 secs Computing kpt #: 44 total cpu time spent up to now is 5.5 secs Computing kpt #: 45 total cpu time spent up to now is 5.6 secs Computing kpt #: 46 total cpu time spent up to now is 5.7 secs Computing kpt #: 47 total cpu time spent up to now is 5.7 secs Computing kpt #: 48 total cpu time spent up to now is 5.8 secs Computing kpt #: 49 total cpu time spent up to now is 5.9 secs Computing kpt #: 50 total cpu time spent up to now is 5.9 secs Computing kpt #: 51 total cpu time spent up to now is 6.0 secs Computing kpt #: 52 total cpu time spent up to now is 6.1 secs Computing kpt #: 53 total cpu time spent up to now is 6.1 secs Computing kpt #: 54 total cpu time spent up to now is 6.2 secs Computing kpt #: 55 total cpu time spent up to now is 6.3 secs Computing kpt #: 56 total cpu time spent up to now is 6.4 secs Computing kpt #: 57 total cpu time spent up to now is 6.4 secs Computing kpt #: 58 total cpu time spent up to now is 6.5 secs Computing kpt #: 59 total cpu time spent up to now is 6.6 secs Computing kpt #: 60 total cpu time spent up to now is 6.6 secs Computing kpt #: 61 total cpu time spent up to now is 6.7 secs Computing kpt #: 62 total cpu time spent up to now is 6.8 secs Computing kpt #: 63 total cpu time spent up to now is 6.8 secs Computing kpt #: 64 total cpu time spent up to now is 6.9 secs Computing kpt #: 65 total cpu time spent up to now is 7.0 secs Computing kpt #: 66 total cpu time spent up to now is 7.1 secs Computing kpt #: 67 total cpu time spent up to now is 7.1 secs Computing kpt #: 68 total cpu time spent up to now is 7.2 secs Computing kpt #: 69 total cpu time spent up to now is 7.3 secs Computing kpt #: 70 total cpu time spent up to now is 7.4 secs Computing kpt #: 71 total cpu time spent up to now is 7.4 secs Computing kpt #: 72 total cpu time spent up to now is 7.5 secs Computing kpt #: 73 total cpu time spent up to now is 7.6 secs Computing kpt #: 74 total cpu time spent up to now is 7.7 secs Computing kpt #: 75 total cpu time spent up to now is 7.8 secs Computing kpt #: 76 total cpu time spent up to now is 7.8 secs Computing kpt #: 77 total cpu time spent up to now is 7.9 secs Computing kpt #: 78 total cpu time spent up to now is 8.0 secs Computing kpt #: 79 total cpu time spent up to now is 8.1 secs Computing kpt #: 80 total cpu time spent up to now is 8.2 secs Computing kpt #: 81 total cpu time spent up to now is 8.3 secs Computing kpt #: 82 total cpu time spent up to now is 8.3 secs Computing kpt #: 83 total cpu time spent up to now is 8.4 secs Computing kpt #: 84 total cpu time spent up to now is 8.5 secs Computing kpt #: 85 total cpu time spent up to now is 8.6 secs Computing kpt #: 86 total cpu time spent up to now is 8.7 secs Computing kpt #: 87 total cpu time spent up to now is 8.8 secs Computing kpt #: 88 total cpu time spent up to now is 8.9 secs Computing kpt #: 89 total cpu time spent up to now is 8.9 secs Computing kpt #: 90 total cpu time spent up to now is 9.0 secs Computing kpt #: 91 total cpu time spent up to now is 9.1 secs Computing kpt #: 92 total cpu time spent up to now is 9.2 secs Computing kpt #: 93 total cpu time spent up to now is 9.3 secs Computing kpt #: 94 total cpu time spent up to now is 9.4 secs Computing kpt #: 95 total cpu time spent up to now is 9.5 secs Computing kpt #: 96 total cpu time spent up to now is 9.6 secs Computing kpt #: 97 total cpu time spent up to now is 9.7 secs Computing kpt #: 98 total cpu time spent up to now is 9.8 secs Computing kpt #: 99 total cpu time spent up to now is 9.9 secs Computing kpt #: 100 total cpu time spent up to now is 10.0 secs Computing kpt #: 101 total cpu time spent up to now is 10.1 secs Computing kpt #: 102 total cpu time spent up to now is 10.2 secs Computing kpt #: 103 total cpu time spent up to now is 10.2 secs Computing kpt #: 104 total cpu time spent up to now is 10.3 secs Computing kpt #: 105 total cpu time spent up to now is 10.4 secs Computing kpt #: 106 total cpu time spent up to now is 10.5 secs Computing kpt #: 107 total cpu time spent up to now is 10.6 secs Computing kpt #: 108 total cpu time spent up to now is 10.7 secs Computing kpt #: 109 total cpu time spent up to now is 10.8 secs Computing kpt #: 110 total cpu time spent up to now is 10.9 secs Computing kpt #: 111 total cpu time spent up to now is 11.0 secs Computing kpt #: 112 total cpu time spent up to now is 11.1 secs Computing kpt #: 113 total cpu time spent up to now is 11.2 secs Computing kpt #: 114 total cpu time spent up to now is 11.2 secs Computing kpt #: 115 total cpu time spent up to now is 11.3 secs Computing kpt #: 116 total cpu time spent up to now is 11.4 secs Computing kpt #: 117 total cpu time spent up to now is 11.5 secs Computing kpt #: 118 total cpu time spent up to now is 11.6 secs Computing kpt #: 119 total cpu time spent up to now is 11.6 secs Computing kpt #: 120 total cpu time spent up to now is 11.7 secs Computing kpt #: 121 total cpu time spent up to now is 11.8 secs Computing kpt #: 122 total cpu time spent up to now is 11.9 secs Computing kpt #: 123 total cpu time spent up to now is 12.0 secs Computing kpt #: 124 total cpu time spent up to now is 12.1 secs Computing kpt #: 125 total cpu time spent up to now is 12.1 secs Computing kpt #: 126 total cpu time spent up to now is 12.2 secs Computing kpt #: 127 total cpu time spent up to now is 12.3 secs Computing kpt #: 128 total cpu time spent up to now is 12.4 secs Computing kpt #: 129 total cpu time spent up to now is 12.4 secs Computing kpt #: 130 total cpu time spent up to now is 12.5 secs Computing kpt #: 131 total cpu time spent up to now is 12.6 secs Computing kpt #: 132 total cpu time spent up to now is 12.7 secs Computing kpt #: 133 total cpu time spent up to now is 12.8 secs Computing kpt #: 134 total cpu time spent up to now is 13.1 secs Computing kpt #: 135 total cpu time spent up to now is 13.2 secs Computing kpt #: 136 total cpu time spent up to now is 13.3 secs Computing kpt #: 137 total cpu time spent up to now is 13.3 secs Computing kpt #: 138 total cpu time spent up to now is 13.4 secs Computing kpt #: 139 total cpu time spent up to now is 13.5 secs Computing kpt #: 140 total cpu time spent up to now is 13.6 secs Computing kpt #: 141 total cpu time spent up to now is 13.7 secs Computing kpt #: 142 total cpu time spent up to now is 13.8 secs Computing kpt #: 143 total cpu time spent up to now is 13.9 secs Computing kpt #: 144 total cpu time spent up to now is 14.0 secs Computing kpt #: 145 total cpu time spent up to now is 14.1 secs Computing kpt #: 146 total cpu time spent up to now is 14.2 secs Computing kpt #: 147 total cpu time spent up to now is 14.3 secs Computing kpt #: 148 total cpu time spent up to now is 14.4 secs Computing kpt #: 149 total cpu time spent up to now is 14.5 secs Computing kpt #: 150 total cpu time spent up to now is 14.6 secs Computing kpt #: 151 total cpu time spent up to now is 14.7 secs Computing kpt #: 152 total cpu time spent up to now is 14.9 secs Computing kpt #: 153 total cpu time spent up to now is 15.0 secs Computing kpt #: 154 total cpu time spent up to now is 15.1 secs Computing kpt #: 155 total cpu time spent up to now is 15.2 secs Computing kpt #: 156 total cpu time spent up to now is 15.3 secs Computing kpt #: 157 total cpu time spent up to now is 15.4 secs Computing kpt #: 158 total cpu time spent up to now is 15.5 secs Computing kpt #: 159 total cpu time spent up to now is 15.6 secs Computing kpt #: 160 total cpu time spent up to now is 15.7 secs Computing kpt #: 161 total cpu time spent up to now is 15.8 secs Computing kpt #: 162 total cpu time spent up to now is 15.9 secs Computing kpt #: 163 total cpu time spent up to now is 16.0 secs Computing kpt #: 164 total cpu time spent up to now is 16.1 secs Computing kpt #: 165 total cpu time spent up to now is 16.2 secs Computing kpt #: 166 total cpu time spent up to now is 16.3 secs Computing kpt #: 167 total cpu time spent up to now is 16.4 secs Computing kpt #: 168 total cpu time spent up to now is 16.5 secs Computing kpt #: 169 total cpu time spent up to now is 16.6 secs Computing kpt #: 170 total cpu time spent up to now is 16.7 secs Computing kpt #: 171 total cpu time spent up to now is 16.8 secs Computing kpt #: 172 total cpu time spent up to now is 16.9 secs Computing kpt #: 173 total cpu time spent up to now is 17.0 secs Computing kpt #: 174 total cpu time spent up to now is 17.1 secs Computing kpt #: 175 total cpu time spent up to now is 17.2 secs Computing kpt #: 176 total cpu time spent up to now is 17.3 secs Computing kpt #: 177 total cpu time spent up to now is 17.4 secs Computing kpt #: 178 total cpu time spent up to now is 17.5 secs Computing kpt #: 179 total cpu time spent up to now is 17.6 secs Computing kpt #: 180 total cpu time spent up to now is 17.7 secs Computing kpt #: 181 total cpu time spent up to now is 17.9 secs Computing kpt #: 182 total cpu time spent up to now is 18.0 secs Computing kpt #: 183 total cpu time spent up to now is 18.1 secs Computing kpt #: 184 total cpu time spent up to now is 18.2 secs Computing kpt #: 185 total cpu time spent up to now is 18.3 secs Computing kpt #: 186 total cpu time spent up to now is 18.4 secs Computing kpt #: 187 total cpu time spent up to now is 18.5 secs Computing kpt #: 188 total cpu time spent up to now is 18.6 secs Computing kpt #: 189 total cpu time spent up to now is 18.8 secs Computing kpt #: 190 total cpu time spent up to now is 18.9 secs Computing kpt #: 191 total cpu time spent up to now is 19.0 secs Computing kpt #: 192 total cpu time spent up to now is 19.1 secs Computing kpt #: 193 total cpu time spent up to now is 19.2 secs Computing kpt #: 194 total cpu time spent up to now is 19.3 secs Computing kpt #: 195 total cpu time spent up to now is 19.5 secs Computing kpt #: 196 total cpu time spent up to now is 19.6 secs Computing kpt #: 197 total cpu time spent up to now is 19.7 secs Computing kpt #: 198 total cpu time spent up to now is 19.8 secs Computing kpt #: 199 total cpu time spent up to now is 19.9 secs Computing kpt #: 200 total cpu time spent up to now is 20.0 secs Computing kpt #: 201 total cpu time spent up to now is 20.1 secs Computing kpt #: 202 total cpu time spent up to now is 20.3 secs Computing kpt #: 203 total cpu time spent up to now is 20.4 secs Computing kpt #: 204 total cpu time spent up to now is 20.5 secs Computing kpt #: 205 total cpu time spent up to now is 20.6 secs Computing kpt #: 206 total cpu time spent up to now is 20.7 secs Computing kpt #: 207 total cpu time spent up to now is 20.8 secs Computing kpt #: 208 total cpu time spent up to now is 20.9 secs Computing kpt #: 209 total cpu time spent up to now is 21.0 secs Computing kpt #: 210 total cpu time spent up to now is 21.1 secs Computing kpt #: 211 total cpu time spent up to now is 21.2 secs Computing kpt #: 212 total cpu time spent up to now is 21.3 secs Computing kpt #: 213 total cpu time spent up to now is 21.4 secs Computing kpt #: 214 total cpu time spent up to now is 21.5 secs Computing kpt #: 215 total cpu time spent up to now is 21.6 secs Computing kpt #: 216 total cpu time spent up to now is 21.7 secs Computing kpt #: 217 total cpu time spent up to now is 21.8 secs Computing kpt #: 218 total cpu time spent up to now is 21.9 secs Computing kpt #: 219 total cpu time spent up to now is 21.9 secs Computing kpt #: 220 total cpu time spent up to now is 22.0 secs Computing kpt #: 221 total cpu time spent up to now is 22.1 secs Computing kpt #: 222 total cpu time spent up to now is 22.2 secs Computing kpt #: 223 total cpu time spent up to now is 22.3 secs Computing kpt #: 224 total cpu time spent up to now is 22.4 secs Computing kpt #: 225 total cpu time spent up to now is 22.5 secs Computing kpt #: 226 total cpu time spent up to now is 22.6 secs Computing kpt #: 227 total cpu time spent up to now is 22.7 secs Computing kpt #: 228 total cpu time spent up to now is 22.7 secs Computing kpt #: 229 total cpu time spent up to now is 22.8 secs Computing kpt #: 230 total cpu time spent up to now is 22.9 secs Computing kpt #: 231 total cpu time spent up to now is 23.0 secs Computing kpt #: 232 total cpu time spent up to now is 23.1 secs Computing kpt #: 233 total cpu time spent up to now is 23.2 secs Computing kpt #: 234 total cpu time spent up to now is 23.3 secs Computing kpt #: 235 total cpu time spent up to now is 23.4 secs Computing kpt #: 236 total cpu time spent up to now is 23.5 secs Computing kpt #: 237 total cpu time spent up to now is 23.6 secs Computing kpt #: 238 total cpu time spent up to now is 23.7 secs Computing kpt #: 239 total cpu time spent up to now is 23.8 secs Computing kpt #: 240 total cpu time spent up to now is 23.9 secs Computing kpt #: 241 total cpu time spent up to now is 23.9 secs Computing kpt #: 242 total cpu time spent up to now is 24.0 secs Computing kpt #: 243 total cpu time spent up to now is 24.1 secs Computing kpt #: 244 total cpu time spent up to now is 24.2 secs Computing kpt #: 245 total cpu time spent up to now is 24.3 secs Computing kpt #: 246 total cpu time spent up to now is 24.4 secs Computing kpt #: 247 total cpu time spent up to now is 24.6 secs Computing kpt #: 248 total cpu time spent up to now is 24.7 secs Computing kpt #: 249 total cpu time spent up to now is 24.8 secs Computing kpt #: 250 total cpu time spent up to now is 24.9 secs Computing kpt #: 251 total cpu time spent up to now is 25.0 secs Computing kpt #: 252 total cpu time spent up to now is 25.1 secs Computing kpt #: 253 total cpu time spent up to now is 25.2 secs Computing kpt #: 254 total cpu time spent up to now is 25.3 secs Computing kpt #: 255 total cpu time spent up to now is 25.4 secs Computing kpt #: 256 total cpu time spent up to now is 25.5 secs Computing kpt #: 257 total cpu time spent up to now is 25.6 secs Computing kpt #: 258 total cpu time spent up to now is 25.7 secs Computing kpt #: 259 total cpu time spent up to now is 25.8 secs Computing kpt #: 260 total cpu time spent up to now is 26.0 secs Computing kpt #: 261 total cpu time spent up to now is 26.1 secs Computing kpt #: 262 total cpu time spent up to now is 26.2 secs Computing kpt #: 263 total cpu time spent up to now is 26.3 secs Computing kpt #: 264 total cpu time spent up to now is 26.4 secs Computing kpt #: 265 total cpu time spent up to now is 26.5 secs Computing kpt #: 266 total cpu time spent up to now is 26.6 secs Computing kpt #: 267 total cpu time spent up to now is 26.8 secs Computing kpt #: 268 total cpu time spent up to now is 26.9 secs Computing kpt #: 269 total cpu time spent up to now is 27.0 secs Computing kpt #: 270 total cpu time spent up to now is 27.1 secs Computing kpt #: 271 total cpu time spent up to now is 27.2 secs Computing kpt #: 272 total cpu time spent up to now is 27.3 secs Computing kpt #: 273 total cpu time spent up to now is 27.4 secs Computing kpt #: 274 total cpu time spent up to now is 27.5 secs Computing kpt #: 275 total cpu time spent up to now is 27.6 secs Computing kpt #: 276 total cpu time spent up to now is 27.7 secs Computing kpt #: 277 total cpu time spent up to now is 27.8 secs Computing kpt #: 278 total cpu time spent up to now is 28.0 secs Computing kpt #: 279 total cpu time spent up to now is 28.1 secs Computing kpt #: 280 total cpu time spent up to now is 28.2 secs Computing kpt #: 281 total cpu time spent up to now is 28.3 secs Computing kpt #: 282 total cpu time spent up to now is 28.4 secs Computing kpt #: 283 total cpu time spent up to now is 28.6 secs Computing kpt #: 284 total cpu time spent up to now is 28.7 secs Computing kpt #: 285 total cpu time spent up to now is 28.8 secs Computing kpt #: 286 total cpu time spent up to now is 28.9 secs Computing kpt #: 287 total cpu time spent up to now is 28.9 secs Computing kpt #: 288 total cpu time spent up to now is 29.0 secs Computing kpt #: 289 total cpu time spent up to now is 29.1 secs Computing kpt #: 290 total cpu time spent up to now is 29.2 secs Computing kpt #: 291 total cpu time spent up to now is 29.3 secs Computing kpt #: 292 total cpu time spent up to now is 29.4 secs Computing kpt #: 293 total cpu time spent up to now is 29.5 secs Computing kpt #: 294 total cpu time spent up to now is 29.5 secs Computing kpt #: 295 total cpu time spent up to now is 29.6 secs Computing kpt #: 296 total cpu time spent up to now is 29.7 secs Computing kpt #: 297 total cpu time spent up to now is 29.8 secs Computing kpt #: 298 total cpu time spent up to now is 29.8 secs Computing kpt #: 299 total cpu time spent up to now is 29.9 secs Computing kpt #: 300 total cpu time spent up to now is 30.0 secs Computing kpt #: 301 total cpu time spent up to now is 30.1 secs Computing kpt #: 302 total cpu time spent up to now is 30.1 secs Computing kpt #: 303 total cpu time spent up to now is 30.2 secs Computing kpt #: 304 total cpu time spent up to now is 30.3 secs Computing kpt #: 305 total cpu time spent up to now is 30.3 secs Computing kpt #: 306 total cpu time spent up to now is 30.4 secs Computing kpt #: 307 total cpu time spent up to now is 30.5 secs Computing kpt #: 308 total cpu time spent up to now is 30.6 secs Computing kpt #: 309 total cpu time spent up to now is 30.6 secs Computing kpt #: 310 total cpu time spent up to now is 30.7 secs Computing kpt #: 311 total cpu time spent up to now is 30.8 secs Computing kpt #: 312 total cpu time spent up to now is 30.8 secs Computing kpt #: 313 total cpu time spent up to now is 30.9 secs Computing kpt #: 314 total cpu time spent up to now is 31.0 secs Computing kpt #: 315 total cpu time spent up to now is 31.1 secs Computing kpt #: 316 total cpu time spent up to now is 31.1 secs Computing kpt #: 317 total cpu time spent up to now is 31.2 secs Computing kpt #: 318 total cpu time spent up to now is 31.3 secs Computing kpt #: 319 total cpu time spent up to now is 31.4 secs Computing kpt #: 320 total cpu time spent up to now is 31.5 secs Computing kpt #: 321 total cpu time spent up to now is 31.6 secs Computing kpt #: 322 total cpu time spent up to now is 31.7 secs Computing kpt #: 323 total cpu time spent up to now is 31.7 secs Computing kpt #: 324 total cpu time spent up to now is 31.8 secs Computing kpt #: 325 total cpu time spent up to now is 31.9 secs Computing kpt #: 326 total cpu time spent up to now is 32.0 secs Computing kpt #: 327 total cpu time spent up to now is 32.1 secs Computing kpt #: 328 total cpu time spent up to now is 32.2 secs Computing kpt #: 329 total cpu time spent up to now is 32.3 secs Computing kpt #: 330 total cpu time spent up to now is 32.4 secs Computing kpt #: 331 total cpu time spent up to now is 32.5 secs Computing kpt #: 332 total cpu time spent up to now is 32.6 secs Computing kpt #: 333 total cpu time spent up to now is 32.8 secs Computing kpt #: 334 total cpu time spent up to now is 32.9 secs Computing kpt #: 335 total cpu time spent up to now is 33.0 secs Computing kpt #: 336 total cpu time spent up to now is 33.1 secs Computing kpt #: 337 total cpu time spent up to now is 33.2 secs Computing kpt #: 338 total cpu time spent up to now is 33.4 secs Computing kpt #: 339 total cpu time spent up to now is 33.5 secs Computing kpt #: 340 total cpu time spent up to now is 33.6 secs Computing kpt #: 341 total cpu time spent up to now is 33.7 secs Computing kpt #: 342 total cpu time spent up to now is 33.8 secs Computing kpt #: 343 total cpu time spent up to now is 33.9 secs Computing kpt #: 344 total cpu time spent up to now is 34.1 secs Computing kpt #: 345 total cpu time spent up to now is 34.2 secs Computing kpt #: 346 total cpu time spent up to now is 34.3 secs Computing kpt #: 347 total cpu time spent up to now is 34.4 secs Computing kpt #: 348 total cpu time spent up to now is 34.5 secs Computing kpt #: 349 total cpu time spent up to now is 34.6 secs Computing kpt #: 350 total cpu time spent up to now is 34.7 secs Computing kpt #: 351 total cpu time spent up to now is 34.9 secs Computing kpt #: 352 total cpu time spent up to now is 35.0 secs Computing kpt #: 353 total cpu time spent up to now is 35.1 secs Computing kpt #: 354 total cpu time spent up to now is 35.2 secs Computing kpt #: 355 total cpu time spent up to now is 35.3 secs Computing kpt #: 356 total cpu time spent up to now is 35.4 secs Computing kpt #: 357 total cpu time spent up to now is 35.5 secs Computing kpt #: 358 total cpu time spent up to now is 35.6 secs Computing kpt #: 359 total cpu time spent up to now is 35.7 secs Computing kpt #: 360 total cpu time spent up to now is 35.8 secs Computing kpt #: 361 total cpu time spent up to now is 35.9 secs Computing kpt #: 362 total cpu time spent up to now is 36.0 secs Computing kpt #: 363 total cpu time spent up to now is 36.1 secs Computing kpt #: 364 total cpu time spent up to now is 36.2 secs Computing kpt #: 365 total cpu time spent up to now is 36.3 secs Computing kpt #: 366 total cpu time spent up to now is 36.4 secs ethr = 6.25E-08, avg # of iterations = 13.4 total cpu time spent up to now is 36.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1503 PWs) bands (ev): 1.6860 1.6860 2.3530 2.3530 2.3530 2.3530 2.7847 2.7847 2.7847 2.7847 2.9210 2.9210 8.7883 8.7883 8.7883 8.7883 13.0773 13.0773 13.0773 13.0773 13.1890 13.1890 15.2300 15.2300 k = 0.0000 0.0104-0.0000 ( 1503 PWs) bands (ev): 1.6878 1.6878 2.3531 2.3531 2.3532 2.3532 2.7847 2.7847 2.7848 2.7848 2.9210 2.9210 8.7886 8.7886 8.7886 8.7886 13.0697 13.0697 13.0749 13.0749 13.1842 13.1842 15.2338 15.2338 k = 0.0000 0.0208-0.0000 ( 1503 PWs) bands (ev): 1.6932 1.6932 2.3535 2.3535 2.3540 2.3540 2.7848 2.7848 2.7849 2.7849 2.9210 2.9210 8.7894 8.7894 8.7895 8.7895 13.0471 13.0471 13.0664 13.0664 13.1713 13.1713 15.2427 15.2427 k = 0.0000 0.0312-0.0000 ( 1499 PWs) bands (ev): 1.7022 1.7022 2.3541 2.3541 2.3555 2.3555 2.7849 2.7849 2.7851 2.7851 2.9209 2.9209 8.7907 8.7907 8.7908 8.7908 13.0107 13.0107 13.0479 13.0479 13.1551 13.1551 15.2486 15.2486 k = 0.0000 0.0417-0.0000 ( 1479 PWs) bands (ev): 1.7147 1.7147 2.3551 2.3551 2.3574 2.3574 2.7855 2.7855 2.7857 2.7857 2.9212 2.9212 8.7925 8.7925 8.7926 8.7926 12.9621 12.9621 13.0149 13.0149 13.1417 13.1417 15.2394 15.2394 k = 0.0000 0.0521-0.0000 ( 1483 PWs) bands (ev): 1.7308 1.7308 2.3562 2.3562 2.3595 2.3595 2.7856 2.7856 2.7862 2.7862 2.9210 2.9210 8.7945 8.7945 8.7948 8.7948 12.9029 12.9029 12.9666 12.9666 13.1332 13.1332 15.2065 15.2065 k = 0.0000 0.0625-0.0000 ( 1475 PWs) bands (ev): 1.7504 1.7504 2.3576 2.3576 2.3624 2.3624 2.7860 2.7860 2.7868 2.7868 2.9210 2.9210 8.7965 8.7965 8.7976 8.7976 12.8350 12.8350 12.9059 12.9059 13.1285 13.1285 15.1509 15.1509 k = 0.0000 0.0729-0.0000 ( 1483 PWs) bands (ev): 1.7736 1.7736 2.3591 2.3591 2.3656 2.3656 2.7861 2.7861 2.7874 2.7874 2.9207 2.9207 8.7983 8.7983 8.8010 8.8010 12.7601 12.7601 12.8360 12.8360 13.1261 13.1261 15.0782 15.0782 k = 0.0000 0.0833-0.0000 ( 1483 PWs) bands (ev): 1.8002 1.8002 2.3609 2.3609 2.3694 2.3694 2.7865 2.7865 2.7881 2.7881 2.9206 2.9206 8.7996 8.7996 8.8048 8.8048 12.6798 12.6798 12.7593 12.7593 13.1249 13.1249 14.9935 14.9935 k = 0.0000 0.0938-0.0000 ( 1483 PWs) bands (ev): 1.8302 1.8302 2.3629 2.3629 2.3737 2.3737 2.7870 2.7870 2.7888 2.7888 2.9204 2.9204 8.8000 8.8000 8.8090 8.8090 12.5953 12.5953 12.6775 12.6775 13.1245 13.1245 14.9006 14.9006 k = 0.0000 0.1042-0.0000 ( 1482 PWs) bands (ev): 1.8636 1.8636 2.3652 2.3652 2.3785 2.3785 2.7876 2.7876 2.7897 2.7897 2.9201 2.9201 8.7992 8.7992 8.8138 8.8138 12.5078 12.5078 12.5919 12.5919 13.1246 13.1246 14.8024 14.8024 k = 0.0000 0.1146-0.0000 ( 1474 PWs) bands (ev): 1.9003 1.9003 2.3676 2.3676 2.3839 2.3839 2.7884 2.7884 2.7906 2.7906 2.9200 2.9200 8.7967 8.7967 8.8190 8.8190 12.4182 12.4182 12.5038 12.5038 13.1250 13.1250 14.7012 14.7012 k = 0.0000 0.1250-0.0000 ( 1474 PWs) bands (ev): 1.9402 1.9402 2.3702 2.3702 2.3897 2.3897 2.7893 2.7893 2.7916 2.7916 2.9198 2.9198 8.7921 8.7921 8.8246 8.8246 12.3272 12.3272 12.4139 12.4139 13.1258 13.1258 14.5991 14.5991 k = 0.0000 0.1354-0.0000 ( 1474 PWs) bands (ev): 1.9831 1.9831 2.3730 2.3730 2.3960 2.3960 2.7903 2.7903 2.7926 2.7926 2.9196 2.9196 8.7848 8.7848 8.8306 8.8306 12.2355 12.2355 12.3229 12.3229 13.1267 13.1267 14.4978 14.4978 k = 0.0000 0.1458-0.0000 ( 1478 PWs) bands (ev): 2.0289 2.0289 2.3759 2.3759 2.4029 2.4029 2.7914 2.7914 2.7937 2.7937 2.9193 2.9193 8.7743 8.7743 8.8371 8.8371 12.1437 12.1437 12.2315 12.2315 13.1278 13.1278 14.3988 14.3988 k = 0.0000 0.1562-0.0000 ( 1474 PWs) bands (ev): 2.0774 2.0774 2.3791 2.3791 2.4107 2.4107 2.7928 2.7928 2.7949 2.7949 2.9191 2.9191 8.7601 8.7601 8.8439 8.8439 12.0521 12.0521 12.1401 12.1401 13.1291 13.1291 14.3037 14.3037 k = 0.0000 0.1667-0.0000 ( 1474 PWs) bands (ev): 2.1281 2.1281 2.3822 2.3822 2.4195 2.4195 2.7946 2.7946 2.7960 2.7960 2.9190 2.9190 8.7414 8.7414 8.8510 8.8510 11.9611 11.9611 12.0491 12.0491 13.1305 13.1305 14.2138 14.2138 k = 0.0000 0.1771-0.0000 ( 1474 PWs) bands (ev): 2.1802 2.1802 2.3856 2.3856 2.4301 2.4301 2.7967 2.7967 2.7973 2.7973 2.9188 2.9188 8.7179 8.7179 8.8585 8.8585 11.8712 11.8712 11.9590 11.9590 13.1320 13.1320 14.1301 14.1301 k = 0.0000 0.1875-0.0000 ( 1474 PWs) bands (ev): 2.2327 2.2327 2.3890 2.3890 2.4433 2.4433 2.7985 2.7985 2.7993 2.7993 2.9187 2.9187 8.6888 8.6888 8.8663 8.8663 11.7825 11.7825 11.8700 11.8700 13.1336 13.1336 14.0538 14.0538 k = 0.0000 0.1979-0.0000 ( 1478 PWs) bands (ev): 2.2830 2.2830 2.3924 2.3924 2.4612 2.4612 2.7997 2.7997 2.8026 2.8026 2.9186 2.9186 8.6537 8.6537 8.8744 8.8744 11.6953 11.6953 11.7823 11.7823 13.1352 13.1352 13.9857 13.9857 k = 0.0000 0.2083-0.0000 ( 1478 PWs) bands (ev): 2.3276 2.3276 2.3960 2.3960 2.4873 2.4873 2.8010 2.8010 2.8070 2.8070 2.9185 2.9185 8.6122 8.6122 8.8827 8.8827 11.6098 11.6098 11.6962 11.6962 13.1369 13.1369 13.9267 13.9267 k = 0.0000 0.2188-0.0000 ( 1474 PWs) bands (ev): 2.3625 2.3625 2.3996 2.3996 2.5247 2.5247 2.8024 2.8024 2.8131 2.8131 2.9185 2.9185 8.5639 8.5639 8.8912 8.8912 11.5261 11.5261 11.6120 11.6120 13.1387 13.1387 13.8774 13.8774 k = 0.0000 0.2292-0.0000 ( 1482 PWs) bands (ev): 2.3871 2.3871 2.4032 2.4032 2.5726 2.5726 2.8036 2.8036 2.8218 2.8218 2.9185 2.9185 8.5085 8.5085 8.8999 8.8999 11.4446 11.4446 11.5297 11.5297 13.1405 13.1405 13.8381 13.8381 k = 0.0000 0.2396-0.0000 ( 1482 PWs) bands (ev): 2.4042 2.4042 2.4068 2.4068 2.6260 2.6260 2.8049 2.8049 2.8358 2.8358 2.9185 2.9185 8.4459 8.4459 8.9088 8.9088 11.3652 11.3652 11.4496 11.4496 13.1423 13.1423 13.8093 13.8093 k = 0.0000 0.2500-0.0000 ( 1482 PWs) bands (ev): 2.4105 2.4105 2.4169 2.4169 2.6771 2.6771 2.8061 2.8061 2.8597 2.8597 2.9186 2.9186 8.3760 8.3760 8.9177 8.9177 11.2882 11.2882 11.3717 11.3717 13.1442 13.1442 13.7909 13.7909 k = 0.0000 0.2604-0.0000 ( 1482 PWs) bands (ev): 2.4141 2.4141 2.4270 2.4270 2.7176 2.7176 2.8074 2.8074 2.8997 2.8997 2.9188 2.9188 8.2990 8.2990 8.9268 8.9268 11.2135 11.2135 11.2963 11.2963 13.1460 13.1460 13.7829 13.7829 k = 0.0000 0.2708-0.0000 ( 1490 PWs) bands (ev): 2.4177 2.4177 2.4352 2.4352 2.7440 2.7440 2.8086 2.8086 2.9190 2.9190 2.9581 2.9581 8.2149 8.2149 8.9359 8.9359 11.1415 11.1415 11.2234 11.2234 13.1479 13.1479 13.7851 13.7851 k = 0.0000 0.2812-0.0000 ( 1490 PWs) bands (ev): 2.4212 2.4212 2.4425 2.4425 2.7602 2.7602 2.8098 2.8098 2.9192 2.9192 3.0308 3.0308 8.1241 8.1241 8.9449 8.9449 11.0721 11.0721 11.1531 11.1531 13.1497 13.1497 13.7971 13.7971 k = 0.0000 0.2917-0.0000 ( 1486 PWs) bands (ev): 2.4247 2.4247 2.4491 2.4491 2.7707 2.7707 2.8110 2.8110 2.9196 2.9196 3.1127 3.1127 8.0270 8.0270 8.9540 8.9540 11.0054 11.0054 11.0855 11.0855 13.1516 13.1516 13.8184 13.8184 k = 0.0000 0.3021-0.0000 ( 1486 PWs) bands (ev): 2.4281 2.4281 2.4550 2.4550 2.7781 2.7781 2.8121 2.8121 2.9199 2.9199 3.2010 3.2010 7.9240 7.9240 8.9629 8.9629 10.9415 10.9415 11.0208 11.0208 13.1534 13.1534 13.8484 13.8484 k = 0.0000 0.3125-0.0000 ( 1478 PWs) bands (ev): 2.4315 2.4315 2.4605 2.4605 2.7839 2.7839 2.8133 2.8133 2.9204 2.9204 3.2939 3.2939 7.8155 7.8155 8.9718 8.9718 10.8805 10.8805 10.9589 10.9589 13.1552 13.1552 13.8862 13.8862 k = 0.0000 0.3229-0.0000 ( 1482 PWs) bands (ev): 2.4347 2.4347 2.4654 2.4654 2.7886 2.7886 2.8143 2.8143 2.9207 2.9207 3.3908 3.3908 7.7021 7.7021 8.9804 8.9804 10.8224 10.8224 10.9001 10.9001 13.1569 13.1569 13.9312 13.9312 k = 0.0000 0.3333-0.0000 ( 1482 PWs) bands (ev): 2.4377 2.4377 2.4699 2.4699 2.7927 2.7927 2.8153 2.8153 2.9211 2.9211 3.4911 3.4911 7.5842 7.5842 8.9889 8.9889 10.7673 10.7673 10.8442 10.8442 13.1586 13.1586 13.9823 13.9823 k = 0.0000 0.3438-0.0000 ( 1482 PWs) bands (ev): 2.4407 2.4407 2.4740 2.4740 2.7963 2.7963 2.8162 2.8162 2.9216 2.9216 3.5945 3.5945 7.4624 7.4624 8.9971 8.9971 10.7153 10.7153 10.7915 10.7915 13.1602 13.1602 14.0387 14.0387 k = 0.0000 0.3542-0.0000 ( 1482 PWs) bands (ev): 2.4434 2.4434 2.4779 2.4779 2.7997 2.7997 2.8171 2.8171 2.9220 2.9220 3.7008 3.7008 7.3372 7.3372 9.0050 9.0050 10.6664 10.6664 10.7419 10.7419 13.1618 13.1618 14.0993 14.0993 k = 0.0000 0.3646-0.0000 ( 1482 PWs) bands (ev): 2.4460 2.4460 2.4814 2.4814 2.8028 2.8028 2.8179 2.8179 2.9225 2.9225 3.8097 3.8097 7.2090 7.2090 9.0126 9.0126 10.6207 10.6207 10.6955 10.6955 13.1633 13.1633 14.1631 14.1631 k = 0.0000 0.3750-0.0000 ( 1482 PWs) bands (ev): 2.4485 2.4485 2.4845 2.4845 2.8056 2.8056 2.8187 2.8187 2.9229 2.9229 3.9212 3.9212 7.0784 7.0784 9.0198 9.0198 10.5782 10.5782 10.6524 10.6524 13.1647 13.1647 14.2290 14.2290 k = 0.0000 0.3854-0.0000 ( 1490 PWs) bands (ev): 2.4507 2.4507 2.4873 2.4873 2.8081 2.8081 2.8193 2.8193 2.9233 2.9233 4.0351 4.0351 6.9458 6.9458 9.0266 9.0266 10.5390 10.5390 10.6125 10.6125 13.1660 13.1660 14.2959 14.2959 k = 0.0000 0.3958-0.0000 ( 1490 PWs) bands (ev): 2.4529 2.4529 2.4898 2.4898 2.8106 2.8106 2.8199 2.8199 2.9237 2.9237 4.1512 4.1512 6.8115 6.8115 9.0330 9.0330 10.5031 10.5031 10.5761 10.5761 13.1673 13.1673 14.3626 14.3626 k = 0.0000 0.4062-0.0000 ( 1490 PWs) bands (ev): 2.4548 2.4548 2.4921 2.4921 2.8128 2.8128 2.8205 2.8205 2.9242 2.9242 4.2695 4.2695 6.6761 6.6761 9.0388 9.0388 10.4704 10.4704 10.5429 10.5429 13.1684 13.1684 14.4278 14.4278 k = 0.0000 0.4167-0.0000 ( 1490 PWs) bands (ev): 2.4566 2.4566 2.4941 2.4941 2.8149 2.8149 2.8211 2.8211 2.9246 2.9246 4.3897 4.3897 6.5398 6.5398 9.0442 9.0442 10.4412 10.4412 10.5132 10.5132 13.1694 13.1694 14.4905 14.4905 k = 0.0000 0.4271-0.0000 ( 1502 PWs) bands (ev): 2.4579 2.4579 2.4957 2.4957 2.8166 2.8166 2.8214 2.8214 2.9248 2.9248 4.5118 4.5118 6.4031 6.4031 9.0490 9.0490 10.4153 10.4153 10.4869 10.4869 13.1703 13.1703 14.5494 14.5494 k = 0.0000 0.4375-0.0000 ( 1498 PWs) bands (ev): 2.4593 2.4593 2.4973 2.4973 2.8183 2.8183 2.8219 2.8219 2.9252 2.9252 4.6355 4.6355 6.2664 6.2664 9.0532 9.0532 10.3928 10.3928 10.4641 10.4641 13.1711 13.1711 14.6034 14.6034 k = 0.0000 0.4479-0.0000 ( 1498 PWs) bands (ev): 2.4605 2.4605 2.4985 2.4985 2.8196 2.8196 2.8222 2.8222 2.9255 2.9255 4.7604 4.7604 6.1302 6.1302 9.0568 9.0568 10.3737 10.3737 10.4448 10.4448 13.1718 13.1718 14.6513 14.6513 k = 0.0000 0.4583-0.0000 ( 1498 PWs) bands (ev): 2.4614 2.4614 2.4995 2.4995 2.8208 2.8208 2.8225 2.8225 2.9257 2.9257 4.8860 4.8860 5.9951 5.9951 9.0597 9.0597 10.3581 10.3581 10.4289 10.4289 13.1724 13.1724 14.6921 14.6921 k = 0.0000 0.4688-0.0000 ( 1498 PWs) bands (ev): 2.4622 2.4622 2.5003 2.5003 2.8217 2.8217 2.8227 2.8227 2.9259 2.9259 5.0113 5.0113 5.8624 5.8624 9.0621 9.0621 10.3460 10.3460 10.4166 10.4166 13.1728 13.1728 14.7248 14.7248 k = 0.0000 0.4792-0.0000 ( 1498 PWs) bands (ev): 2.4627 2.4627 2.5008 2.5008 2.8223 2.8223 2.8229 2.8229 2.9260 2.9260 5.1336 5.1336 5.7347 5.7347 9.0638 9.0638 10.3373 10.3373 10.4077 10.4077 13.1732 13.1732 14.7488 14.7488 k = 0.0000 0.4896-0.0000 ( 1498 PWs) bands (ev): 2.4630 2.4630 2.5011 2.5011 2.8227 2.8227 2.8230 2.8230 2.9261 2.9261 5.2436 5.2436 5.6215 5.6215 9.0648 9.0648 10.3320 10.3320 10.4024 10.4024 13.1734 13.1734 14.7634 14.7634 k = 0.0000 0.5000-0.0000 ( 1510 PWs) bands (ev): 2.4631 2.4631 2.5010 2.5010 2.8226 2.8226 2.8229 2.8229 2.9261 2.9261 5.2998 5.2998 5.5642 5.5642 9.0651 9.0651 10.3303 10.3303 10.4007 10.4007 13.1734 13.1734 14.7683 14.7683 k = 0.0000 0.5000-0.0000 ( 1510 PWs) bands (ev): 2.4631 2.4631 2.5010 2.5010 2.8226 2.8226 2.8229 2.8229 2.9261 2.9261 5.2998 5.2998 5.5642 5.5642 9.0651 9.0651 10.3303 10.3303 10.4007 10.4007 13.1734 13.1734 14.7683 14.7683 k = 0.0104 0.5000-0.0000 ( 1502 PWs) bands (ev): 2.4633 2.4633 2.5010 2.5010 2.8226 2.8226 2.8228 2.8228 2.9260 2.9260 5.2996 5.2996 5.5666 5.5666 9.0666 9.0666 10.3303 10.3303 10.4007 10.4007 13.1713 13.1713 14.7682 14.7682 k = 0.0208 0.5000-0.0000 ( 1498 PWs) bands (ev): 2.4633 2.4633 2.5010 2.5010 2.8223 2.8223 2.8226 2.8226 2.9253 2.9253 5.2991 5.2991 5.5740 5.5740 9.0712 9.0712 10.3302 10.3302 10.4010 10.4010 13.1651 13.1651 14.7679 14.7679 k = 0.0312 0.5000-0.0000 ( 1490 PWs) bands (ev): 2.4634 2.4634 2.5009 2.5009 2.8216 2.8216 2.8226 2.8226 2.9241 2.9241 5.2983 5.2983 5.5864 5.5864 9.0787 9.0787 10.3293 10.3293 10.4024 10.4024 13.1548 13.1548 14.7673 14.7673 k = 0.0417 0.5000-0.0000 ( 1486 PWs) bands (ev): 2.4636 2.4636 2.5005 2.5005 2.8205 2.8205 2.8225 2.8225 2.9225 2.9225 5.2971 5.2971 5.6035 5.6035 9.0892 9.0892 10.3265 10.3265 10.4056 10.4056 13.1404 13.1404 14.7664 14.7664 k = 0.0521 0.5000-0.0000 ( 1486 PWs) bands (ev): 2.4635 2.4635 2.5001 2.5001 2.8191 2.8191 2.8223 2.8223 2.9204 2.9204 5.2957 5.2957 5.6255 5.6255 9.1027 9.1027 10.3212 10.3212 10.4117 10.4117 13.1222 13.1222 14.7652 14.7652 k = 0.0625 0.5000-0.0000 ( 1486 PWs) bands (ev): 2.4634 2.4634 2.4995 2.4995 2.8173 2.8173 2.8221 2.8221 2.9179 2.9179 5.2940 5.2940 5.6522 5.6522 9.1190 9.1190 10.3129 10.3129 10.4210 10.4210 13.1003 13.1003 14.7637 14.7637 k = 0.0729 0.5000-0.0000 ( 1488 PWs) bands (ev): 2.4632 2.4632 2.4989 2.4989 2.8153 2.8153 2.8219 2.8219 2.9150 2.9150 5.2920 5.2920 5.6837 5.6837 9.1381 9.1381 10.3016 10.3016 10.4335 10.4335 13.0749 13.0749 14.7619 14.7619 k = 0.0833 0.5000-0.0000 ( 1490 PWs) bands (ev): 2.4628 2.4628 2.4981 2.4981 2.8131 2.8131 2.8219 2.8219 2.9118 2.9118 5.2899 5.2899 5.7197 5.7197 9.1600 9.1600 10.2876 10.2876 10.4490 10.4490 13.0461 13.0461 14.7597 14.7597 k = 0.0938 0.5000-0.0000 ( 1486 PWs) bands (ev): 2.4622 2.4622 2.4972 2.4972 2.8107 2.8107 2.8220 2.8220 2.9083 2.9083 5.2876 5.2876 5.7602 5.7602 9.1845 9.1845 10.2711 10.2711 10.4673 10.4673 13.0143 13.0143 14.7571 14.7571 k = 0.1042 0.5000-0.0000 ( 1486 PWs) bands (ev): 2.4613 2.4613 2.4961 2.4961 2.8081 2.8081 2.8221 2.8221 2.9047 2.9047 5.2853 5.2853 5.8051 5.8051 9.2115 9.2115 10.2525 10.2525 10.4881 10.4881 12.9797 12.9797 14.7540 14.7540 k = 0.1146 0.5000-0.0000 ( 1482 PWs) bands (ev): 2.4602 2.4602 2.4949 2.4949 2.8053 2.8053 2.8225 2.8225 2.9009 2.9009 5.2828 5.2828 5.8543 5.8543 9.2409 9.2409 10.2320 10.2320 10.5113 10.5113 12.9425 12.9425 14.7505 14.7505 k = 0.1250 0.5000-0.0000 ( 1482 PWs) bands (ev): 2.4588 2.4588 2.4933 2.4933 2.8023 2.8023 2.8230 2.8230 2.8971 2.8971 5.2804 5.2804 5.9076 5.9076 9.2726 9.2726 10.2097 10.2097 10.5367 10.5367 12.9030 12.9030 14.7463 14.7463 k = 0.1354 0.5000-0.0000 ( 1482 PWs) bands (ev): 2.4571 2.4571 2.4915 2.4915 2.7992 2.7992 2.8235 2.8235 2.8934 2.8934 5.2779 5.2779 5.9651 5.9651 9.3063 9.3063 10.1858 10.1858 10.5643 10.5643 12.8615 12.8615 14.7416 14.7416 k = 0.1458 0.5000-0.0000 ( 1486 PWs) bands (ev): 2.4551 2.4551 2.4892 2.4892 2.7959 2.7959 2.8240 2.8240 2.8900 2.8900 5.2756 5.2756 6.0264 6.0264 9.3420 9.3420 10.1605 10.1605 10.5938 10.5938 12.8183 12.8183 14.7361 14.7361 k = 0.1562 0.5000-0.0000 ( 1486 PWs) bands (ev): 2.4529 2.4529 2.4866 2.4866 2.7925 2.7925 2.8245 2.8245 2.8870 2.8870 5.2734 5.2734 6.0916 6.0916 9.3793 9.3793 10.1339 10.1339 10.6251 10.6251 12.7735 12.7735 14.7300 14.7300 k = 0.1667 0.5000-0.0000 ( 1500 PWs) bands (ev): 2.4503 2.4503 2.4835 2.4835 2.7888 2.7888 2.8244 2.8244 2.8845 2.8845 5.2714 5.2714 6.1604 6.1604 9.4181 9.4181 10.1061 10.1061 10.6583 10.6583 12.7276 12.7276 14.7231 14.7231 k = 0.1771 0.5000-0.0000 ( 1498 PWs) bands (ev): 2.4476 2.4476 2.4801 2.4801 2.7852 2.7852 2.8240 2.8240 2.8833 2.8833 5.2696 5.2696 6.2328 6.2328 9.4581 9.4581 10.0774 10.0774 10.6930 10.6930 12.6807 12.6807 14.7153 14.7153 k = 0.1875 0.5000-0.0000 ( 1498 PWs) bands (ev): 2.4447 2.4447 2.4762 2.4762 2.7814 2.7814 2.8228 2.8228 2.8832 2.8832 5.2681 5.2681 6.3086 6.3086 9.4991 9.4991 10.0478 10.0478 10.7293 10.7293 12.6332 12.6332 14.7068 14.7068 k = 0.1979 0.5000-0.0000 ( 1502 PWs) bands (ev): 2.4416 2.4416 2.4719 2.4719 2.7775 2.7775 2.8206 2.8206 2.8845 2.8845 5.2669 5.2669 6.3876 6.3876 9.5407 9.5407 10.0175 10.0175 10.7671 10.7671 12.5852 12.5852 14.6973 14.6973 k = 0.2083 0.5000-0.0000 ( 1502 PWs) bands (ev): 2.4383 2.4383 2.4672 2.4672 2.7736 2.7736 2.8176 2.8176 2.8871 2.8871 5.2661 5.2661 6.4698 6.4698 9.5825 9.5825 9.9866 9.9866 10.8060 10.8060 12.5370 12.5370 14.6870 14.6870 k = 0.2188 0.5000-0.0000 ( 1506 PWs) bands (ev): 2.4349 2.4349 2.4622 2.4622 2.7696 2.7696 2.8138 2.8138 2.8909 2.8909 5.2658 5.2658 6.5548 6.5548 9.6242 9.6242 9.9554 9.9554 10.8462 10.8462 12.4888 12.4888 14.6757 14.6757 k = 0.2292 0.5000-0.0000 ( 1506 PWs) bands (ev): 2.4314 2.4314 2.4568 2.4568 2.7655 2.7655 2.8094 2.8094 2.8957 2.8957 5.2658 5.2658 6.6427 6.6427 9.6653 9.6653 9.9241 9.9241 10.8873 10.8873 12.4408 12.4408 14.6636 14.6636 k = 0.2396 0.5000-0.0000 ( 1506 PWs) bands (ev): 2.4277 2.4277 2.4512 2.4512 2.7613 2.7613 2.8046 2.8046 2.9014 2.9014 5.2663 5.2663 6.7332 6.7332 9.7050 9.7050 9.8930 9.8930 10.9293 10.9293 12.3932 12.3932 14.6507 14.6507 k = 0.2500 0.5000-0.0000 ( 1514 PWs) bands (ev): 2.4239 2.4239 2.4452 2.4452 2.7570 2.7570 2.7993 2.7993 2.9076 2.9076 5.2673 5.2673 6.8262 6.8262 9.7421 9.7421 9.8633 9.8633 10.9720 10.9720 12.3462 12.3462 14.6370 14.6370 k = 0.2604 0.5000-0.0000 ( 1506 PWs) bands (ev): 2.4202 2.4202 2.4393 2.4393 2.7529 2.7529 2.7941 2.7941 2.9145 2.9145 5.2688 5.2688 6.9215 6.9215 9.7715 9.7715 9.8395 9.8395 11.0152 11.0152 12.3000 12.3000 14.6227 14.6227 k = 0.2708 0.5000-0.0000 ( 1506 PWs) bands (ev): 2.4163 2.4163 2.4331 2.4331 2.7486 2.7486 2.7887 2.7887 2.9216 2.9216 5.2709 5.2709 7.0189 7.0189 9.7743 9.7743 9.8403 9.8403 11.0588 11.0588 12.2548 12.2548 14.6079 14.6079 k = 0.2812 0.5000-0.0000 ( 1506 PWs) bands (ev): 2.4125 2.4125 2.4269 2.4269 2.7444 2.7444 2.7832 2.7832 2.9289 2.9289 5.2734 5.2734 7.1183 7.1183 9.7512 9.7512 9.8646 9.8646 11.1027 11.1027 12.2107 12.2107 14.5927 14.5927 k = 0.2917 0.5000-0.0000 ( 1506 PWs) bands (ev): 2.4086 2.4086 2.4206 2.4206 2.7401 2.7401 2.7778 2.7778 2.9363 2.9363 5.2764 5.2764 7.2195 7.2195 9.7222 9.7222 9.8919 9.8919 11.1465 11.1465 12.1678 12.1678 14.5775 14.5775 k = 0.3021 0.5000-0.0000 ( 1506 PWs) bands (ev): 2.4047 2.4047 2.4144 2.4144 2.7359 2.7359 2.7724 2.7724 2.9438 2.9438 5.2798 5.2798 7.3222 7.3222 9.6921 9.6921 9.9170 9.9170 11.1901 11.1901 12.1262 12.1262 14.5623 14.5623 k = 0.3125 0.5000-0.0000 ( 1506 PWs) bands (ev): 2.4009 2.4009 2.4083 2.4083 2.7317 2.7317 2.7672 2.7672 2.9513 2.9513 5.2837 5.2837 7.4264 7.4264 9.6621 9.6621 9.9385 9.9385 11.2334 11.2334 12.0862 12.0862 14.5475 14.5475 k = 0.3229 0.5000-0.0000 ( 1506 PWs) bands (ev): 2.3971 2.3971 2.4023 2.4023 2.7276 2.7276 2.7621 2.7621 2.9586 2.9586 5.2880 5.2880 7.5319 7.5319 9.6326 9.6326 9.9555 9.9555 11.2761 11.2761 12.0477 12.0477 14.5333 14.5333 k = 0.3333 0.5000-0.0000 ( 1498 PWs) bands (ev): 2.3933 2.3933 2.3967 2.3967 2.7236 2.7236 2.7573 2.7573 2.9658 2.9658 5.2926 5.2926 7.6384 7.6384 9.6037 9.6037 9.9674 9.9674 11.3179 11.3179 12.0110 12.0110 14.5200 14.5200 k = 0.3438 0.5000-0.0000 ( 1506 PWs) bands (ev): 2.3891 2.3891 2.3914 2.3914 2.7196 2.7196 2.7525 2.7525 2.9726 2.9726 5.2975 5.2975 7.7456 7.7456 9.5757 9.5757 9.9738 9.9738 11.3588 11.3588 11.9761 11.9761 14.5077 14.5077 k = 0.3542 0.5000-0.0000 ( 1506 PWs) bands (ev): 2.3843 2.3843 2.3873 2.3873 2.7158 2.7158 2.7481 2.7481 2.9792 2.9792 5.3026 5.3026 7.8536 7.8536 9.5487 9.5487 9.9742 9.9742 11.3984 11.3984 11.9431 11.9431 14.4968 14.4968 k = 0.3646 0.5000-0.0000 ( 1512 PWs) bands (ev): 2.3792 2.3792 2.3837 2.3837 2.7120 2.7120 2.7438 2.7438 2.9853 2.9853 5.3079 5.3079 7.9619 7.9619 9.5229 9.5229 9.9682 9.9682 11.4365 11.4365 11.9121 11.9121 14.4873 14.4873 k = 0.3750 0.5000-0.0000 ( 1504 PWs) bands (ev): 2.3745 2.3745 2.3805 2.3805 2.7086 2.7086 2.7400 2.7400 2.9913 2.9913 5.3132 5.3132 8.0704 8.0704 9.4984 9.4984 9.9557 9.9557 11.4730 11.4730 11.8831 11.8831 14.4793 14.4793 k = 0.3854 0.5000-0.0000 ( 1508 PWs) bands (ev): 2.3698 2.3698 2.3775 2.3775 2.7052 2.7052 2.7362 2.7362 2.9969 2.9969 5.3185 5.3185 8.1788 8.1788 9.4753 9.4753 9.9364 9.9364 11.5074 11.5074 11.8563 11.8563 14.4729 14.4729 k = 0.3958 0.5000-0.0000 ( 1500 PWs) bands (ev): 2.3658 2.3658 2.3748 2.3748 2.7022 2.7022 2.7329 2.7329 3.0020 3.0020 5.3237 5.3237 8.2869 8.2869 9.4538 9.4538 9.9103 9.9103 11.5397 11.5397 11.8317 11.8317 14.4681 14.4681 k = 0.4062 0.5000-0.0000 ( 1500 PWs) bands (ev): 2.3618 2.3618 2.3722 2.3722 2.6993 2.6993 2.7298 2.7298 3.0067 3.0067 5.3288 5.3288 8.3943 8.3943 9.4338 9.4338 9.8773 9.8773 11.5696 11.5696 11.8095 11.8095 14.4647 14.4647 k = 0.4167 0.5000-0.0000 ( 1500 PWs) bands (ev): 2.3581 2.3581 2.3699 2.3699 2.6966 2.6966 2.7270 2.7270 3.0111 3.0111 5.3336 5.3336 8.5009 8.5009 9.4156 9.4156 9.8376 9.8376 11.5968 11.5968 11.7896 11.7896 14.4627 14.4627 k = 0.4271 0.5000-0.0000 ( 1500 PWs) bands (ev): 2.3549 2.3549 2.3678 2.3678 2.6942 2.6942 2.7246 2.7246 3.0149 3.0149 5.3380 5.3380 8.6064 8.6064 9.3992 9.3992 9.7914 9.7914 11.6211 11.6211 11.7722 11.7722 14.4617 14.4617 k = 0.4375 0.5000-0.0000 ( 1504 PWs) bands (ev): 2.3520 2.3520 2.3659 2.3659 2.6921 2.6921 2.7224 2.7224 3.0181 3.0181 5.3421 5.3421 8.7102 8.7102 9.3847 9.3847 9.7389 9.7389 11.6420 11.6420 11.7576 11.7576 14.4616 14.4616 k = 0.4479 0.5000-0.0000 ( 1500 PWs) bands (ev): 2.3496 2.3496 2.3644 2.3644 2.6903 2.6903 2.7207 2.7207 3.0209 3.0209 5.3456 5.3456 8.8122 8.8122 9.3720 9.3720 9.6806 9.6806 11.6594 11.6594 11.7458 11.7458 14.4621 14.4621 k = 0.4583 0.5000-0.0000 ( 1500 PWs) bands (ev): 2.3476 2.3476 2.3631 2.3631 2.6889 2.6889 2.7192 2.7192 3.0232 3.0232 5.3486 5.3486 8.9117 8.9117 9.3611 9.3611 9.6173 9.6173 11.6725 11.6725 11.7374 11.7374 14.4629 14.4629 k = 0.4688 0.5000-0.0000 ( 1500 PWs) bands (ev): 2.3461 2.3461 2.3621 2.3621 2.6877 2.6877 2.7180 2.7180 3.0250 3.0250 5.3510 5.3510 9.0082 9.0082 9.3514 9.3514 9.5500 9.5500 11.6812 11.6812 11.7326 11.7326 14.4639 14.4639 k = 0.4792 0.5000-0.0000 ( 1496 PWs) bands (ev): 2.3450 2.3450 2.3614 2.3614 2.6869 2.6869 2.7172 2.7172 3.0263 3.0263 5.3527 5.3527 9.1005 9.1005 9.3412 9.3412 9.4818 9.4818 11.6856 11.6856 11.7309 11.7309 14.4647 14.4647 k = 0.4896 0.5000-0.0000 ( 1492 PWs) bands (ev): 2.3444 2.3444 2.3610 2.3610 2.6864 2.6864 2.7167 2.7167 3.0271 3.0271 5.3538 5.3538 9.1857 9.1857 9.3230 9.3230 9.4231 9.4231 11.6872 11.6872 11.7310 11.7310 14.4652 14.4652 k = 0.5000 0.5000-0.0000 ( 1492 PWs) bands (ev): 2.3442 2.3442 2.3608 2.3608 2.6862 2.6862 2.7166 2.7166 3.0273 3.0273 5.3541 5.3541 9.2411 9.2411 9.2940 9.2940 9.3995 9.3995 11.6876 11.6876 11.7312 11.7312 14.4654 14.4654 k = 0.5000 0.5000-0.0000 ( 1492 PWs) bands (ev): 2.3442 2.3442 2.3608 2.3608 2.6862 2.6862 2.7166 2.7166 3.0273 3.0273 5.3541 5.3541 9.2411 9.2411 9.2940 9.2940 9.3995 9.3995 11.6876 11.6876 11.7312 11.7312 14.4654 14.4654 k = 0.4925 0.4925-0.0000 ( 1492 PWs) bands (ev): 2.3445 2.3445 2.3610 2.3610 2.6864 2.6864 2.7167 2.7167 3.0271 3.0271 5.3538 5.3538 9.1851 9.1851 9.3226 9.3226 9.4241 9.4241 11.6873 11.6873 11.7309 11.7309 14.4652 14.4652 k = 0.4851 0.4851-0.0000 ( 1494 PWs) bands (ev): 2.3451 2.3451 2.3614 2.3614 2.6869 2.6869 2.7172 2.7172 3.0263 3.0263 5.3526 5.3526 9.1003 9.1003 9.3367 9.3367 9.4863 9.4863 11.6861 11.6861 11.7304 11.7304 14.4646 14.4646 k = 0.4776 0.4776-0.0000 ( 1498 PWs) bands (ev): 2.3462 2.3462 2.3621 2.3621 2.6877 2.6877 2.7180 2.7180 3.0249 3.0249 5.3507 5.3507 9.0101 9.0101 9.3399 9.3399 9.5594 9.5594 11.6835 11.6835 11.7301 11.7301 14.4636 14.4636 k = 0.4701 0.4701-0.0000 ( 1498 PWs) bands (ev): 2.3478 2.3478 2.3631 2.3631 2.6889 2.6889 2.7192 2.7192 3.0231 3.0231 5.3477 5.3477 8.9177 8.9177 9.3400 9.3400 9.6326 9.6326 11.6787 11.6787 11.7311 11.7311 14.4623 14.4623 k = 0.4627 0.4627-0.0000 ( 1498 PWs) bands (ev): 2.3498 2.3498 2.3645 2.3645 2.6904 2.6904 2.7208 2.7208 3.0207 3.0207 5.3436 5.3436 8.8244 8.8244 9.3387 9.3387 9.7031 9.7031 11.6712 11.6712 11.7338 11.7338 14.4607 14.4607 k = 0.4552 0.4552-0.0000 ( 1502 PWs) bands (ev): 2.3521 2.3521 2.3660 2.3660 2.6922 2.6922 2.7226 2.7226 3.0179 3.0179 5.3381 5.3381 8.7313 8.7313 9.3365 9.3365 9.7698 9.7698 11.6610 11.6610 11.7385 11.7385 14.4589 14.4589 k = 0.4478 0.4478-0.0000 ( 1496 PWs) bands (ev): 2.3551 2.3551 2.3679 2.3679 2.6943 2.6943 2.7248 2.7248 3.0146 3.0146 5.3308 5.3308 8.6394 8.6394 9.3337 9.3337 9.8322 9.8322 11.6483 11.6483 11.7450 11.7450 14.4570 14.4570 k = 0.4403 0.4403-0.0000 ( 1498 PWs) bands (ev): 2.3581 2.3581 2.3700 2.3700 2.6967 2.6967 2.7274 2.7274 3.0108 3.0108 5.3214 5.3214 8.5494 8.5494 9.3303 9.3303 9.8899 9.8899 11.6335 11.6335 11.7532 11.7532 14.4551 14.4551 k = 0.4328 0.4328-0.0000 ( 1502 PWs) bands (ev): 2.3614 2.3614 2.3723 2.3723 2.6993 2.6993 2.7301 2.7301 3.0065 3.0065 5.3095 5.3095 8.4622 8.4622 9.3264 9.3264 9.9427 9.9427 11.6170 11.6170 11.7629 11.7629 14.4533 14.4533 k = 0.4254 0.4254-0.0000 ( 1502 PWs) bands (ev): 2.3652 2.3652 2.3749 2.3749 2.7021 2.7021 2.7333 2.7333 3.0018 3.0018 5.2947 5.2947 8.3787 8.3787 9.3219 9.3219 9.9906 9.9906 11.5990 11.5990 11.7740 11.7740 14.4516 14.4516 k = 0.4179 0.4179-0.0000 ( 1502 PWs) bands (ev): 2.3691 2.3691 2.3777 2.3777 2.7052 2.7052 2.7367 2.7367 2.9966 2.9966 5.2763 5.2763 8.2999 8.2999 9.3168 9.3168 10.0335 10.0335 11.5799 11.5799 11.7865 11.7865 14.4503 14.4503 k = 0.4104 0.4104-0.0000 ( 1510 PWs) bands (ev): 2.3732 2.3732 2.3807 2.3807 2.7083 2.7083 2.7402 2.7402 2.9910 2.9910 5.2540 5.2540 8.2265 8.2265 9.3113 9.3113 10.0715 10.0715 11.5600 11.5600 11.8001 11.8001 14.4495 14.4495 k = 0.4030 0.4030-0.0000 ( 1512 PWs) bands (ev): 2.3773 2.3773 2.3840 2.3840 2.7116 2.7116 2.7441 2.7441 2.9850 2.9850 5.2272 5.2272 8.1593 8.1593 9.3051 9.3051 10.1047 10.1047 11.5396 11.5396 11.8151 11.8151 14.4492 14.4492 k = 0.3955 0.3955-0.0000 ( 1510 PWs) bands (ev): 2.3815 2.3815 2.3876 2.3876 2.7150 2.7150 2.7482 2.7482 2.9788 2.9788 5.1955 5.1955 8.0993 8.0993 9.2985 9.2985 10.1332 10.1332 11.5188 11.5188 11.8312 11.8312 14.4497 14.4497 k = 0.3881 0.3881-0.0000 ( 1510 PWs) bands (ev): 2.3855 2.3855 2.3916 2.3916 2.7186 2.7186 2.7525 2.7525 2.9722 2.9722 5.1584 5.1584 8.0470 8.0470 9.2912 9.2912 10.1573 10.1573 11.4980 11.4980 11.8484 11.8484 14.4509 14.4509 k = 0.3806 0.3806-0.0000 ( 1502 PWs) bands (ev): 2.3893 2.3893 2.3960 2.3960 2.7222 2.7222 2.7571 2.7571 2.9655 2.9655 5.1157 5.1157 8.0030 8.0030 9.2835 9.2835 10.1771 10.1771 11.4775 11.4775 11.8668 11.8668 14.4531 14.4531 k = 0.3731 0.3731-0.0000 ( 1506 PWs) bands (ev): 2.3927 2.3927 2.4007 2.4007 2.7259 2.7259 2.7616 2.7616 2.9584 2.9584 5.0670 5.0670 7.9678 7.9678 9.2752 9.2752 10.1930 10.1930 11.4575 11.4575 11.8863 11.8863 14.4563 14.4563 k = 0.3657 0.3657-0.0000 ( 1502 PWs) bands (ev): 2.3961 2.3961 2.4055 2.4055 2.7296 2.7296 2.7663 2.7663 2.9512 2.9512 5.0124 5.0124 7.9416 7.9416 9.2663 9.2663 10.2053 10.2053 11.4382 11.4382 11.9069 11.9069 14.4607 14.4607 k = 0.3582 0.3582-0.0000 ( 1506 PWs) bands (ev): 2.3992 2.3992 2.4104 2.4104 2.7332 2.7332 2.7708 2.7708 2.9437 2.9437 4.9518 4.9518 7.9245 7.9245 9.2570 9.2570 10.2143 10.2143 11.4199 11.4199 11.9285 11.9285 14.4663 14.4663 k = 0.3507 0.3507-0.0000 ( 1506 PWs) bands (ev): 2.4023 2.4023 2.4153 2.4153 2.7369 2.7369 2.7754 2.7754 2.9363 2.9363 4.8856 4.8856 7.9165 7.9165 9.2471 9.2471 10.2203 10.2203 11.4027 11.4027 11.9511 11.9511 14.4732 14.4732 k = 0.3433 0.3433-0.0000 ( 1506 PWs) bands (ev): 2.4052 2.4052 2.4202 2.4202 2.7405 2.7405 2.7799 2.7799 2.9288 2.9288 4.8139 4.8139 7.9173 7.9173 9.2367 9.2367 10.2238 10.2238 11.3870 11.3870 11.9746 11.9746 14.4814 14.4814 k = 0.3358 0.3358-0.0000 ( 1506 PWs) bands (ev): 2.4079 2.4079 2.4249 2.4249 2.7441 2.7441 2.7841 2.7841 2.9214 2.9214 4.7372 4.7372 7.9265 7.9265 9.2259 9.2259 10.2251 10.2251 11.3729 11.3729 11.9992 11.9992 14.4911 14.4911 k = 0.3284 0.3284-0.0000 ( 1506 PWs) bands (ev): 2.4104 2.4104 2.4295 2.4295 2.7476 2.7476 2.7880 2.7880 2.9141 2.9141 4.6561 4.6561 7.9438 7.9438 9.2146 9.2146 10.2248 10.2248 11.3607 11.3607 12.0246 12.0246 14.5022 14.5022 k = 0.3209 0.3209-0.0000 ( 1500 PWs) bands (ev): 2.4128 2.4128 2.4339 2.4339 2.7511 2.7511 2.7917 2.7917 2.9073 2.9073 4.5710 4.5710 7.9685 7.9685 9.2029 9.2029 10.2233 10.2233 11.3505 11.3505 12.0509 12.0509 14.5149 14.5149 k = 0.3134 0.3134-0.0000 ( 1500 PWs) bands (ev): 2.4149 2.4149 2.4381 2.4381 2.7544 2.7544 2.7947 2.7947 2.9007 2.9007 4.4825 4.4825 8.0000 8.0000 9.1908 9.1908 10.2210 10.2210 11.3424 11.3424 12.0780 12.0780 14.5290 14.5290 k = 0.3060 0.3060-0.0000 ( 1500 PWs) bands (ev): 2.4168 2.4168 2.4419 2.4419 2.7576 2.7576 2.7970 2.7970 2.8947 2.8947 4.3912 4.3912 8.0376 8.0376 9.1783 9.1783 10.2185 10.2185 11.3367 11.3367 12.1059 12.1059 14.5447 14.5447 k = 0.2985 0.2985-0.0000 ( 1500 PWs) bands (ev): 2.4185 2.4185 2.4453 2.4453 2.7607 2.7607 2.7985 2.7985 2.8894 2.8894 4.2976 4.2976 8.0805 8.0805 9.1655 9.1655 10.2164 10.2164 11.3335 11.3335 12.1346 12.1346 14.5618 14.5618 k = 0.2910 0.2910-0.0000 ( 1500 PWs) bands (ev): 2.4198 2.4198 2.4485 2.4485 2.7636 2.7636 2.7991 2.7991 2.8849 2.8849 4.2023 4.2023 8.1281 8.1281 9.1524 9.1524 10.2152 10.2152 11.3329 11.3329 12.1640 12.1640 14.5805 14.5805 k = 0.2836 0.2836-0.0000 ( 1506 PWs) bands (ev): 2.4208 2.4208 2.4510 2.4510 2.7664 2.7664 2.7984 2.7984 2.8814 2.8814 4.1058 4.1058 8.1794 8.1794 9.1390 9.1390 10.2157 10.2157 11.3351 11.3351 12.1940 12.1940 14.6005 14.6005 k = 0.2761 0.2761-0.0000 ( 1496 PWs) bands (ev): 2.4217 2.4217 2.4532 2.4532 2.7691 2.7691 2.7969 2.7969 2.8792 2.8792 4.0086 4.0086 8.2336 8.2336 9.1254 9.1254 10.2185 10.2185 11.3402 11.3402 12.2246 12.2246 14.6220 14.6220 k = 0.2687 0.2687-0.0000 ( 1492 PWs) bands (ev): 2.4223 2.4223 2.4549 2.4549 2.7714 2.7714 2.7943 2.7943 2.8778 2.8778 3.9112 3.9112 8.2898 8.2898 9.1117 9.1117 10.2244 10.2244 11.3482 11.3482 12.2557 12.2557 14.6448 14.6448 k = 0.2612 0.2612-0.0000 ( 1492 PWs) bands (ev): 2.4224 2.4224 2.4560 2.4560 2.7732 2.7732 2.7909 2.7909 2.8772 2.8772 3.8141 3.8141 8.3470 8.3470 9.0978 9.0978 10.2341 10.2341 11.3593 11.3593 12.2874 12.2874 14.6689 14.6689 k = 0.2537 0.2537-0.0000 ( 1492 PWs) bands (ev): 2.4222 2.4222 2.4566 2.4566 2.7742 2.7742 2.7874 2.7874 2.8771 2.8771 3.7176 3.7176 8.4043 8.4043 9.0839 9.0839 10.2486 10.2486 11.3736 11.3736 12.3194 12.3194 14.6941 14.6941 k = 0.2463 0.2463-0.0000 ( 1492 PWs) bands (ev): 2.4217 2.4217 2.4565 2.4565 2.7731 2.7731 2.7850 2.7850 2.8775 2.8775 3.6223 3.6223 8.4606 8.4606 9.0699 9.0699 10.2686 10.2686 11.3911 11.3911 12.3519 12.3519 14.7205 14.7205 k = 0.2388 0.2388-0.0000 ( 1492 PWs) bands (ev): 2.4209 2.4209 2.4558 2.4558 2.7690 2.7690 2.7846 2.7846 2.8781 2.8781 3.5288 3.5288 8.5150 8.5150 9.0559 9.0559 10.2951 10.2951 11.4119 11.4119 12.3846 12.3846 14.7479 14.7479 k = 0.2313 0.2313-0.0000 ( 1492 PWs) bands (ev): 2.4196 2.4196 2.4545 2.4545 2.7627 2.7627 2.7854 2.7854 2.8786 2.8786 3.4374 3.4374 8.5665 8.5665 9.0419 9.0419 10.3288 10.3288 11.4360 11.4360 12.4176 12.4176 14.7761 14.7761 k = 0.2239 0.2239-0.0000 ( 1492 PWs) bands (ev): 2.4180 2.4180 2.4526 2.4526 2.7549 2.7549 2.7866 2.7866 2.8790 2.8790 3.3490 3.3490 8.6143 8.6143 9.0280 9.0280 10.3704 10.3704 11.4635 11.4635 12.4507 12.4507 14.8052 14.8052 k = 0.2164 0.2164-0.0000 ( 1488 PWs) bands (ev): 2.4161 2.4161 2.4501 2.4501 2.7456 2.7456 2.7879 2.7879 2.8789 2.8789 3.2644 3.2644 8.6577 8.6577 9.0143 9.0143 10.4204 10.4204 11.4943 11.4943 12.4839 12.4839 14.8349 14.8349 k = 0.2090 0.2090-0.0000 ( 1488 PWs) bands (ev): 2.4136 2.4136 2.4469 2.4469 2.7339 2.7339 2.7891 2.7891 2.8781 2.8781 3.1850 3.1850 8.6963 8.6963 9.0007 9.0007 10.4791 10.4791 11.5285 11.5285 12.5171 12.5171 14.8652 14.8652 k = 0.2015 0.2015-0.0000 ( 1484 PWs) bands (ev): 2.4107 2.4107 2.4432 2.4432 2.7190 2.7190 2.7901 2.7901 2.8761 2.8761 3.1126 3.1126 8.7297 8.7297 8.9873 8.9873 10.5467 10.5467 11.5660 11.5660 12.5503 12.5503 14.8959 14.8959 k = 0.1940 0.1940-0.0000 ( 1476 PWs) bands (ev): 2.4071 2.4071 2.4389 2.4389 2.6991 2.6991 2.7911 2.7911 2.8723 2.8723 3.0500 3.0500 8.7580 8.7580 8.9742 8.9742 10.6229 10.6229 11.6070 11.6070 12.5833 12.5833 14.9268 14.9268 k = 0.1866 0.1866-0.0000 ( 1474 PWs) bands (ev): 2.4026 2.4026 2.4340 2.4340 2.6723 2.6723 2.7919 2.7919 2.8655 2.8655 3.0004 3.0004 8.7812 8.7812 8.9613 8.9613 10.7074 10.7074 11.6512 11.6512 12.6161 12.6161 14.9580 14.9580 k = 0.1791 0.1791-0.0000 ( 1472 PWs) bands (ev): 2.3967 2.3967 2.4287 2.4287 2.6374 2.6374 2.7925 2.7925 2.8554 2.8554 2.9660 2.9660 8.7999 8.7999 8.9488 8.9488 10.7996 10.7996 11.6987 11.6987 12.6486 12.6486 14.9891 14.9891 k = 0.1716 0.1716-0.0000 ( 1472 PWs) bands (ev): 2.3883 2.3883 2.4229 2.4229 2.5958 2.5958 2.7929 2.7929 2.8433 2.8433 2.9454 2.9454 8.8142 8.8142 8.9365 8.9365 10.8989 10.8989 11.7495 11.7495 12.6807 12.6807 15.0200 15.0200 k = 0.1642 0.1642-0.0000 ( 1472 PWs) bands (ev): 2.3756 2.3756 2.4171 2.4171 2.5512 2.5512 2.7932 2.7932 2.8317 2.8317 2.9340 2.9340 8.8248 8.8248 8.9247 8.9247 11.0044 11.0044 11.8034 11.8034 12.7124 12.7124 15.0507 15.0507 k = 0.1567 0.1567-0.0000 ( 1476 PWs) bands (ev): 2.3555 2.3555 2.4115 2.4115 2.5093 2.5093 2.7933 2.7933 2.8220 2.8220 2.9277 2.9277 8.8322 8.8322 8.9132 8.9132 11.1153 11.1153 11.8603 11.8603 12.7434 12.7434 15.0808 15.0808 k = 0.1493 0.1493-0.0000 ( 1474 PWs) bands (ev): 2.3249 2.3249 2.4063 2.4063 2.4757 2.4757 2.7932 2.7932 2.8144 2.8144 2.9242 2.9242 8.8368 8.8368 8.9021 8.9021 11.2308 11.2308 11.9201 11.9201 12.7739 12.7739 15.1104 15.1104 k = 0.1418 0.1418-0.0000 ( 1484 PWs) bands (ev): 2.2837 2.2837 2.4014 2.4014 2.4518 2.4518 2.7928 2.7928 2.8084 2.8084 2.9220 2.9220 8.8391 8.8391 8.8915 8.8915 11.3501 11.3501 11.9828 11.9828 12.8036 12.8036 15.1391 15.1391 k = 0.1343 0.1343-0.0000 ( 1480 PWs) bands (ev): 2.2358 2.2358 2.3969 2.3969 2.4354 2.4354 2.7924 2.7924 2.8041 2.8041 2.9209 2.9209 8.8396 8.8396 8.8813 8.8813 11.4723 11.4723 12.0481 12.0481 12.8324 12.8324 15.1669 15.1669 k = 0.1269 0.1269-0.0000 ( 1484 PWs) bands (ev): 2.1848 2.1848 2.3926 2.3926 2.4234 2.4234 2.7918 2.7918 2.8006 2.8006 2.9201 2.9201 8.8385 8.8385 8.8716 8.8716 11.5965 11.5965 12.1159 12.1159 12.8604 12.8604 15.1935 15.1935 k = 0.1194 0.1194-0.0000 ( 1484 PWs) bands (ev): 2.1335 2.1335 2.3886 2.3886 2.4138 2.4138 2.7911 2.7911 2.7980 2.7980 2.9197 2.9197 8.8363 8.8363 8.8624 8.8624 11.7219 11.7219 12.1859 12.1859 12.8874 12.8874 15.2187 15.2187 k = 0.1119 0.1119-0.0000 ( 1484 PWs) bands (ev): 2.0831 2.0831 2.3847 2.3847 2.4058 2.4058 2.7903 2.7903 2.7960 2.7960 2.9196 2.9196 8.8333 8.8333 8.8536 8.8536 11.8476 11.8476 12.2579 12.2579 12.9134 12.9134 15.2422 15.2422 k = 0.1045 0.1045-0.0000 ( 1484 PWs) bands (ev): 2.0347 2.0347 2.3811 2.3811 2.3987 2.3987 2.7894 2.7894 2.7945 2.7945 2.9195 2.9195 8.8296 8.8296 8.8454 8.8454 11.9727 11.9727 12.3316 12.3316 12.9382 12.9382 15.2638 15.2638 k = 0.0970 0.0970-0.0000 ( 1484 PWs) bands (ev): 1.9886 1.9886 2.3776 2.3776 2.3923 2.3923 2.7886 2.7886 2.7932 2.7932 2.9196 2.9196 8.8255 8.8255 8.8377 8.8377 12.0963 12.0963 12.4067 12.4067 12.9618 12.9618 15.2831 15.2831 k = 0.0896 0.0896-0.0000 ( 1486 PWs) bands (ev): 1.9452 1.9452 2.3742 2.3742 2.3864 2.3864 2.7879 2.7879 2.7920 2.7920 2.9197 2.9197 8.8212 8.8212 8.8306 8.8306 12.2173 12.2173 12.4826 12.4826 12.9842 12.9842 15.2997 15.2997 k = 0.0821 0.0821-0.0000 ( 1484 PWs) bands (ev): 1.9048 1.9048 2.3711 2.3711 2.3812 2.3812 2.7873 2.7873 2.7910 2.7910 2.9199 2.9199 8.8168 8.8168 8.8239 8.8239 12.3349 12.3349 12.5590 12.5590 13.0053 13.0053 15.3131 15.3131 k = 0.0746 0.0746-0.0000 ( 1488 PWs) bands (ev): 1.8675 1.8675 2.3681 2.3681 2.3763 2.3763 2.7867 2.7867 2.7900 2.7900 2.9200 2.9200 8.8125 8.8125 8.8179 8.8179 12.4478 12.4478 12.6351 12.6351 13.0251 13.0251 15.3228 15.3228 k = 0.0672 0.0672-0.0000 ( 1492 PWs) bands (ev): 1.8335 1.8335 2.3653 2.3653 2.3719 2.3719 2.7862 2.7862 2.7891 2.7891 2.9202 2.9202 8.8084 8.8084 8.8123 8.8123 12.5548 12.5548 12.7101 12.7101 13.0436 13.0436 15.3281 15.3281 k = 0.0597 0.0597-0.0000 ( 1492 PWs) bands (ev): 1.8029 1.8029 2.3629 2.3629 2.3680 2.3680 2.7858 2.7858 2.7883 2.7883 2.9204 2.9204 8.8044 8.8044 8.8074 8.8074 12.6549 12.6549 12.7831 12.7831 13.0611 13.0611 15.3283 15.3283 k = 0.0522 0.0522-0.0000 ( 1484 PWs) bands (ev): 1.7757 1.7757 2.3607 2.3607 2.3647 2.3647 2.7856 2.7856 2.7877 2.7877 2.9206 2.9206 8.8009 8.8009 8.8030 8.8030 12.7468 12.7468 12.8525 12.8525 13.0777 13.0777 15.3233 15.3233 k = 0.0448 0.0448-0.0000 ( 1484 PWs) bands (ev): 1.7521 1.7521 2.3587 2.3587 2.3617 2.3617 2.7854 2.7854 2.7870 2.7870 2.9208 2.9208 8.7976 8.7976 8.7991 8.7991 12.8295 12.8295 12.9163 12.9163 13.0940 13.0940 15.3131 15.3131 k = 0.0373 0.0373-0.0000 ( 1480 PWs) bands (ev): 1.7319 1.7319 2.3571 2.3571 2.3592 2.3592 2.7852 2.7852 2.7865 2.7865 2.9209 2.9209 8.7949 8.7949 8.7958 8.7958 12.9018 12.9018 12.9719 12.9719 13.1109 13.1109 15.2983 15.2983 k = 0.0299 0.0299-0.0000 ( 1482 PWs) bands (ev): 1.7154 1.7154 2.3557 2.3557 2.3571 2.3571 2.7851 2.7851 2.7859 2.7859 2.9210 2.9210 8.7925 8.7925 8.7932 8.7932 12.9630 12.9630 13.0161 13.0161 13.1297 13.1297 15.2804 15.2804 k = 0.0224 0.0224-0.0000 ( 1492 PWs) bands (ev): 1.7026 1.7026 2.3545 2.3545 2.3552 2.3552 2.7850 2.7850 2.7854 2.7854 2.9211 2.9211 8.7907 8.7907 8.7910 8.7910 13.0120 13.0120 13.0467 13.0467 13.1504 13.1504 15.2618 15.2618 k = 0.0149 0.0149-0.0000 ( 1503 PWs) bands (ev): 1.6934 1.6934 2.3536 2.3536 2.3539 2.3539 2.7848 2.7848 2.7849 2.7849 2.9210 2.9210 8.7894 8.7894 8.7895 8.7895 13.0479 13.0479 13.0650 13.0650 13.1700 13.1700 15.2454 15.2454 k = 0.0075 0.0075-0.0000 ( 1503 PWs) bands (ev): 1.6878 1.6878 2.3531 2.3531 2.3532 2.3532 2.7847 2.7847 2.7848 2.7848 2.9210 2.9210 8.7886 8.7886 8.7886 8.7886 13.0699 13.0699 13.0745 13.0745 13.1840 13.1840 15.2341 15.2341 k = 0.0000 0.0000 0.0000 ( 1503 PWs) bands (ev): 1.6860 1.6860 2.3530 2.3530 2.3530 2.3530 2.7847 2.7847 2.7847 2.7847 2.9210 2.9210 8.7883 8.7883 8.7883 8.7883 13.0773 13.0773 13.0773 13.0773 13.1890 13.1890 15.2300 15.2300 k = 0.0000 0.0000 0.0000 ( 1503 PWs) bands (ev): 1.6860 1.6860 2.3530 2.3530 2.3530 2.3530 2.7847 2.7847 2.7847 2.7847 2.9210 2.9210 8.7883 8.7883 8.7883 8.7883 13.0773 13.0773 13.0773 13.0773 13.1890 13.1890 15.2300 15.2300 k = 0.0061 0.0061 0.0061 ( 1503 PWs) bands (ev): 1.6878 1.6878 2.3531 2.3531 2.3532 2.3532 2.7847 2.7847 2.7848 2.7848 2.9210 2.9210 8.7886 8.7886 8.7886 8.7886 13.0700 13.0700 13.0743 13.0743 13.1840 13.1840 15.2341 15.2341 k = 0.0122 0.0122 0.0122 ( 1503 PWs) bands (ev): 1.6934 1.6934 2.3537 2.3537 2.3538 2.3538 2.7848 2.7848 2.7850 2.7850 2.9210 2.9210 8.7894 8.7894 8.7895 8.7895 13.0478 13.0478 13.0654 13.0654 13.1696 13.1696 15.2461 15.2461 k = 0.0183 0.0183 0.0183 ( 1494 PWs) bands (ev): 1.7026 1.7026 2.3546 2.3546 2.3550 2.3550 2.7849 2.7849 2.7855 2.7855 2.9210 2.9210 8.7907 8.7907 8.7911 8.7911 13.0102 13.0102 13.0506 13.0506 13.1476 13.1476 15.2654 15.2654 k = 0.0244 0.0244 0.0244 ( 1488 PWs) bands (ev): 1.7155 1.7155 2.3559 2.3559 2.3567 2.3567 2.7850 2.7850 2.7859 2.7859 2.9209 2.9209 8.7926 8.7926 8.7932 8.7932 12.9574 12.9574 13.0300 13.0300 13.1194 13.1194 15.2910 15.2910 k = 0.0305 0.0305 0.0305 ( 1479 PWs) bands (ev): 1.7320 1.7320 2.3577 2.3577 2.3588 2.3588 2.7852 2.7852 2.7864 2.7864 2.9209 2.9209 8.7951 8.7951 8.7960 8.7960 12.8906 12.8906 13.0039 13.0039 13.0860 13.0860 15.3219 15.3219 k = 0.0366 0.0366 0.0366 ( 1479 PWs) bands (ev): 1.7521 1.7521 2.3596 2.3596 2.3611 2.3611 2.7854 2.7854 2.7871 2.7871 2.9207 2.9207 8.7981 8.7981 8.7994 8.7994 12.8119 12.8119 12.9725 12.9725 13.0477 13.0477 15.3572 15.3572 k = 0.0427 0.0427 0.0427 ( 1479 PWs) bands (ev): 1.7758 1.7758 2.3618 2.3618 2.3638 2.3638 2.7855 2.7855 2.7878 2.7878 2.9206 2.9206 8.8017 8.8017 8.8035 8.8035 12.7233 12.7233 12.9360 12.9360 13.0047 13.0047 15.3961 15.3961 k = 0.0488 0.0488 0.0488 ( 1485 PWs) bands (ev): 1.8030 1.8030 2.3642 2.3642 2.3668 2.3668 2.7857 2.7857 2.7886 2.7886 2.9205 2.9205 8.8059 8.8059 8.8082 8.8082 12.6267 12.6267 12.8947 12.8947 12.9570 12.9570 15.4380 15.4380 k = 0.0549 0.0549 0.0549 ( 1485 PWs) bands (ev): 1.8337 1.8337 2.3670 2.3670 2.3704 2.3704 2.7859 2.7859 2.7895 2.7895 2.9203 2.9203 8.8108 8.8108 8.8137 8.8137 12.5241 12.5241 12.8489 12.8489 12.9051 12.9051 15.4823 15.4823 k = 0.0610 0.0610 0.0610 ( 1479 PWs) bands (ev): 1.8677 1.8677 2.3702 2.3702 2.3744 2.3744 2.7861 2.7861 2.7906 2.7906 2.9202 2.9202 8.8163 8.8163 8.8198 8.8198 12.4168 12.4168 12.7989 12.7989 12.8491 12.8491 15.5286 15.5286 k = 0.0671 0.0671 0.0671 ( 1479 PWs) bands (ev): 1.9050 1.9050 2.3735 2.3735 2.3788 2.3788 2.7864 2.7864 2.7917 2.7917 2.9200 2.9200 8.8224 8.8224 8.8267 8.8267 12.3062 12.3062 12.7450 12.7450 12.7894 12.7894 15.5767 15.5767 k = 0.0732 0.0732 0.0732 ( 1482 PWs) bands (ev): 1.9455 1.9455 2.3770 2.3770 2.3834 2.3834 2.7867 2.7867 2.7928 2.7928 2.9199 2.9199 8.8293 8.8293 8.8343 8.8343 12.1935 12.1935 12.6875 12.6875 12.7262 12.7262 15.6262 15.6262 k = 0.0793 0.0793 0.0793 ( 1476 PWs) bands (ev): 1.9890 1.9890 2.3809 2.3809 2.3885 2.3885 2.7871 2.7871 2.7941 2.7941 2.9199 2.9199 8.8368 8.8368 8.8427 8.8427 12.0796 12.0796 12.6266 12.6266 12.6600 12.6600 15.6769 15.6769 k = 0.0854 0.0854 0.0854 ( 1482 PWs) bands (ev): 2.0354 2.0354 2.3849 2.3849 2.3940 2.3940 2.7874 2.7874 2.7954 2.7954 2.9199 2.9199 8.8450 8.8450 8.8518 8.8518 11.9656 11.9656 12.5628 12.5628 12.5909 12.5909 15.7286 15.7286 k = 0.0915 0.0915 0.0915 ( 1482 PWs) bands (ev): 2.0844 2.0844 2.3891 2.3891 2.4001 2.4001 2.7879 2.7879 2.7969 2.7969 2.9200 2.9200 8.8539 8.8539 8.8617 8.8617 11.8520 11.8520 12.4962 12.4962 12.5193 12.5193 15.7810 15.7810 k = 0.0976 0.0976 0.0976 ( 1472 PWs) bands (ev): 2.1356 2.1356 2.3936 2.3936 2.4069 2.4069 2.7885 2.7885 2.7985 2.7985 2.9205 2.9205 8.8636 8.8636 8.8724 8.8724 11.7397 11.7397 12.4272 12.4272 12.4455 12.4455 15.8340 15.8340 k = 0.1037 0.1037 0.1037 ( 1472 PWs) bands (ev): 2.1886 2.1886 2.3980 2.3980 2.4146 2.4146 2.7891 2.7891 2.8002 2.8002 2.9211 2.9211 8.8739 8.8739 8.8837 8.8837 11.6292 11.6292 12.3561 12.3561 12.3699 12.3699 15.8874 15.8874 k = 0.1098 0.1098 0.1098 ( 1472 PWs) bands (ev): 2.2422 2.2422 2.4026 2.4026 2.4238 2.4238 2.7897 2.7897 2.8021 2.8021 2.9222 2.9222 8.8849 8.8849 8.8958 8.8958 11.5210 11.5210 12.2831 12.2831 12.2926 12.2926 15.9408 15.9408 k = 0.1159 0.1159 0.1159 ( 1472 PWs) bands (ev): 2.2947 2.2947 2.4072 2.4072 2.4362 2.4362 2.7904 2.7904 2.8043 2.8043 2.9240 2.9240 8.8965 8.8965 8.9086 8.9086 11.4158 11.4158 12.2086 12.2086 12.2140 12.2140 15.9942 15.9942 k = 0.1220 0.1220 0.1220 ( 1472 PWs) bands (ev): 2.3419 2.3419 2.4119 2.4119 2.4553 2.4553 2.7912 2.7912 2.8068 2.8068 2.9268 2.9268 8.9087 8.9087 8.9219 8.9219 11.3139 11.3139 12.1329 12.1329 12.1345 12.1345 16.0472 16.0472 k = 0.1280 0.1280 0.1280 ( 1478 PWs) bands (ev): 2.3775 2.3775 2.4166 2.4166 2.4863 2.4863 2.7920 2.7920 2.8096 2.8096 2.9310 2.9310 8.9214 8.9214 8.9358 8.9358 11.2157 11.2157 12.0543 12.0543 12.0563 12.0563 16.0995 16.0995 k = 0.1341 0.1341 0.1341 ( 1472 PWs) bands (ev): 2.3998 2.3998 2.4213 2.4213 2.5301 2.5301 2.7931 2.7931 2.8131 2.8131 2.9380 2.9380 8.9344 8.9344 8.9500 8.9500 11.1216 11.1216 11.9737 11.9737 11.9792 11.9792 16.1506 16.1506 k = 0.1402 0.1402 0.1402 ( 1472 PWs) bands (ev): 2.4136 2.4136 2.4260 2.4260 2.5798 2.5798 2.7942 2.7942 2.8171 2.8171 2.9490 2.9490 8.9478 8.9478 8.9646 8.9646 11.0320 11.0320 11.8932 11.8932 11.9020 11.9020 16.1997 16.1997 k = 0.1463 0.1463 0.1463 ( 1472 PWs) bands (ev): 2.4234 2.4234 2.4306 2.4306 2.6287 2.6287 2.7954 2.7954 2.8217 2.8217 2.9664 2.9664 8.9612 8.9612 8.9793 8.9793 10.9472 10.9472 11.8131 11.8131 11.8249 11.8249 16.2455 16.2455 k = 0.1524 0.1524 0.1524 ( 1484 PWs) bands (ev): 2.4309 2.4309 2.4350 2.4350 2.6716 2.6716 2.7965 2.7965 2.8265 2.8265 2.9933 2.9933 8.9746 8.9746 8.9938 8.9938 10.8675 10.8675 11.7338 11.7338 11.7486 11.7486 16.2859 16.2859 k = 0.1585 0.1585 0.1585 ( 1490 PWs) bands (ev): 2.4372 2.4372 2.4394 2.4394 2.7056 2.7056 2.7980 2.7980 2.8311 2.8311 3.0323 3.0323 8.9877 8.9877 9.0081 9.0081 10.7932 10.7932 11.6557 11.6557 11.6733 11.6733 16.3187 16.3187 k = 0.1646 0.1646 0.1646 ( 1490 PWs) bands (ev): 2.4428 2.4428 2.4437 2.4437 2.7303 2.7303 2.7996 2.7996 2.8348 2.8348 3.0840 3.0840 9.0001 9.0001 9.0218 9.0218 10.7246 10.7246 11.5794 11.5794 11.5997 11.5997 16.3426 16.3426 k = 0.1707 0.1707 0.1707 ( 1490 PWs) bands (ev): 2.4478 2.4478 2.4479 2.4479 2.7476 2.7476 2.8014 2.8014 2.8372 2.8372 3.1466 3.1466 9.0117 9.0117 9.0345 9.0345 10.6619 10.6619 11.5054 11.5054 11.5282 11.5282 16.3588 16.3588 k = 0.1768 0.1768 0.1768 ( 1490 PWs) bands (ev): 2.4519 2.4519 2.4521 2.4521 2.7598 2.7598 2.8034 2.8034 2.8383 2.8383 3.2174 3.2174 9.0220 9.0220 9.0459 9.0459 10.6053 10.6053 11.4341 11.4341 11.4594 11.4594 16.3684 16.3684 k = 0.1829 0.1829 0.1829 ( 1490 PWs) bands (ev): 2.4557 2.4557 2.4560 2.4560 2.7687 2.7687 2.8055 2.8055 2.8381 2.8381 3.2941 3.2941 9.0306 9.0306 9.0555 9.0555 10.5551 10.5551 11.3663 11.3663 11.3940 11.3940 16.3723 16.3723 k = 0.1890 0.1890 0.1890 ( 1496 PWs) bands (ev): 2.4592 2.4592 2.4592 2.4592 2.7757 2.7757 2.8078 2.8078 2.8370 2.8370 3.3751 3.3751 9.0370 9.0370 9.0629 9.0629 10.5114 10.5114 11.3025 11.3025 11.3326 11.3326 16.3707 16.3707 k = 0.1951 0.1951 0.1951 ( 1496 PWs) bands (ev): 2.4620 2.4620 2.4626 2.4626 2.7815 2.7815 2.8103 2.8103 2.8352 2.8352 3.4592 3.4592 9.0407 9.0407 9.0674 9.0674 10.4745 10.4745 11.2436 11.2436 11.2760 11.2760 16.3634 16.3634 k = 0.2012 0.2012 0.2012 ( 1496 PWs) bands (ev): 2.4643 2.4643 2.4658 2.4658 2.7867 2.7867 2.8130 2.8130 2.8328 2.8328 3.5457 3.5457 9.0412 9.0412 9.0686 9.0686 10.4445 10.4445 11.1900 11.1900 11.2248 11.2248 16.3503 16.3503 k = 0.2073 0.2073 0.2073 ( 1496 PWs) bands (ev): 2.4660 2.4660 2.4687 2.4687 2.7914 2.7914 2.8159 2.8159 2.8299 2.8299 3.6340 3.6340 9.0378 9.0378 9.0660 9.0660 10.4216 10.4216 11.1427 11.1427 11.1797 11.1797 16.3308 16.3308 k = 0.2134 0.2134 0.2134 ( 1490 PWs) bands (ev): 2.4674 2.4674 2.4715 2.4715 2.7959 2.7959 2.8191 2.8191 2.8268 2.8268 3.7235 3.7235 9.0301 9.0301 9.0588 9.0588 10.4060 10.4060 11.1022 11.1022 11.1416 11.1416 16.3045 16.3045 k = 0.2195 0.2195 0.2195 ( 1490 PWs) bands (ev): 2.4682 2.4682 2.4739 2.4739 2.8000 2.8000 2.8225 2.8225 2.8235 2.8235 3.8139 3.8139 9.0176 9.0176 9.0467 9.0467 10.3977 10.3977 11.0692 11.0692 11.1109 11.1109 16.2705 16.2705 k = 0.2256 0.2256 0.2256 ( 1490 PWs) bands (ev): 2.4686 2.4686 2.4762 2.4762 2.8034 2.8034 2.8208 2.8208 2.8260 2.8260 3.9050 3.9050 8.9999 8.9999 9.0294 9.0294 10.3968 10.3968 11.0441 11.0441 11.0881 11.0881 16.2285 16.2285 k = 0.2317 0.2317 0.2317 ( 1490 PWs) bands (ev): 2.4685 2.4685 2.4782 2.4782 2.8052 2.8052 2.8196 2.8196 2.8298 2.8298 3.9964 3.9964 8.9768 8.9768 9.0064 9.0064 10.4035 10.4035 11.0274 11.0274 11.0738 11.0738 16.1776 16.1776 k = 0.2378 0.2378 0.2378 ( 1484 PWs) bands (ev): 2.4681 2.4681 2.4800 2.4800 2.8042 2.8042 2.8212 2.8212 2.8338 2.8338 4.0879 4.0879 8.9480 8.9480 8.9778 8.9778 10.4179 10.4179 11.0193 11.0193 11.0680 11.0680 16.1174 16.1174 k = 0.2439 0.2439 0.2439 ( 1499 PWs) bands (ev): 2.4670 2.4670 2.4814 2.4814 2.8009 2.8009 2.8248 2.8248 2.8378 2.8378 4.1793 4.1793 8.9138 8.9138 8.9437 8.9437 10.4399 10.4399 11.0199 11.0199 11.0708 11.0708 16.0474 16.0474 k = 0.2500 0.2500 0.2500 ( 1499 PWs) bands (ev): 2.4658 2.4658 2.4827 2.4827 2.7969 2.7969 2.8295 2.8295 2.8422 2.8422 4.2704 4.2704 8.8742 8.8742 8.9041 8.9041 10.4696 10.4696 11.0290 11.0290 11.0822 11.0822 15.9670 15.9670 k = 0.2561 0.2561 0.2561 ( 1499 PWs) bands (ev): 2.4643 2.4643 2.4839 2.4839 2.7926 2.7926 2.8346 2.8346 2.8468 2.8468 4.3610 4.3610 8.8297 8.8297 8.8596 8.8596 10.5070 10.5070 11.0464 11.0464 11.1017 11.1017 15.8761 15.8761 k = 0.2622 0.2622 0.2622 ( 1493 PWs) bands (ev): 2.4627 2.4627 2.4848 2.4848 2.7882 2.7882 2.8402 2.8402 2.8517 2.8517 4.4510 4.4510 8.7807 8.7807 8.8104 8.8104 10.5520 10.5520 11.0718 11.0718 11.1292 11.1292 15.7747 15.7747 k = 0.2683 0.2683 0.2683 ( 1493 PWs) bands (ev): 2.4607 2.4607 2.4856 2.4856 2.7837 2.7837 2.8460 2.8460 2.8567 2.8567 4.5402 4.5402 8.7276 8.7276 8.7572 8.7572 10.6047 10.6047 11.1047 11.1047 11.1641 11.1641 15.6628 15.6628 k = 0.2744 0.2744 0.2744 ( 1493 PWs) bands (ev): 2.4587 2.4587 2.4862 2.4862 2.7792 2.7792 2.8520 2.8520 2.8619 2.8619 4.6286 4.6286 8.6710 8.6710 8.7005 8.7005 10.6649 10.6649 11.1448 11.1448 11.2061 11.2061 15.5409 15.5409 k = 0.2805 0.2805 0.2805 ( 1493 PWs) bands (ev): 2.4565 2.4565 2.4866 2.4866 2.7747 2.7747 2.8581 2.8581 2.8672 2.8672 4.7160 4.7160 8.6114 8.6114 8.6407 8.6407 10.7324 10.7324 11.1915 11.1915 11.2545 11.2545 15.4094 15.4094 k = 0.2866 0.2866 0.2866 ( 1487 PWs) bands (ev): 2.4545 2.4545 2.4869 2.4869 2.7705 2.7705 2.8645 2.8645 2.8728 2.8728 4.8024 4.8024 8.5494 8.5494 8.5786 8.5786 10.8072 10.8072 11.2444 11.2444 11.3090 11.3090 15.2691 15.2691 k = 0.2927 0.2927 0.2927 ( 1493 PWs) bands (ev): 2.4523 2.4523 2.4870 2.4870 2.7662 2.7662 2.8708 2.8708 2.8784 2.8784 4.8877 4.8877 8.4855 8.4855 8.5145 8.5145 10.8889 10.8889 11.3031 11.3031 11.3690 11.3690 15.1208 15.1208 k = 0.2988 0.2988 0.2988 ( 1493 PWs) bands (ev): 2.4502 2.4502 2.4870 2.4870 2.7622 2.7622 2.8774 2.8774 2.8842 2.8842 4.9719 4.9719 8.4201 8.4201 8.4489 8.4489 10.9774 10.9774 11.3672 11.3672 11.4343 11.4343 14.9655 14.9655 k = 0.3049 0.3049 0.3049 ( 1490 PWs) bands (ev): 2.4484 2.4484 2.4870 2.4870 2.7584 2.7584 2.8841 2.8841 2.8902 2.8902 5.0550 5.0550 8.3537 8.3537 8.3822 8.3822 11.0724 11.0724 11.4364 11.4364 11.5043 11.5043 14.8042 14.8042 k = 0.3110 0.3110 0.3110 ( 1490 PWs) bands (ev): 2.4466 2.4466 2.4868 2.4868 2.7547 2.7547 2.8909 2.8909 2.8962 2.8962 5.1369 5.1369 8.2866 8.2866 8.3149 8.3149 11.1733 11.1733 11.5103 11.5103 11.5788 11.5788 14.6380 14.6380 k = 0.3171 0.3171 0.3171 ( 1493 PWs) bands (ev): 2.4449 2.4449 2.4866 2.4866 2.7512 2.7512 2.8976 2.8976 2.9023 2.9023 5.2178 5.2178 8.2193 8.2193 8.2474 8.2474 11.2798 11.2798 11.5888 11.5888 11.6574 11.6574 14.4681 14.4681 k = 0.3232 0.3232 0.3232 ( 1490 PWs) bands (ev): 2.4437 2.4437 2.4863 2.4863 2.7480 2.7480 2.9045 2.9045 2.9085 2.9085 5.2976 5.2976 8.1520 8.1520 8.1798 8.1798 11.3912 11.3912 11.6716 11.6716 11.7398 11.7398 14.2957 14.2957 k = 0.3293 0.3293 0.3293 ( 1490 PWs) bands (ev): 2.4426 2.4426 2.4859 2.4859 2.7450 2.7450 2.9114 2.9114 2.9148 2.9148 5.3764 5.3764 8.0850 8.0850 8.1125 8.1125 11.5066 11.5066 11.7587 11.7587 11.8257 11.8257 14.1221 14.1221 k = 0.3354 0.3354 0.3354 ( 1496 PWs) bands (ev): 2.4418 2.4418 2.4855 2.4855 2.7421 2.7421 2.9183 2.9183 2.9211 2.9211 5.4543 5.4543 8.0186 8.0186 8.0458 8.0458 11.6250 11.6250 11.8499 11.8499 11.9150 11.9150 13.9487 13.9487 k = 0.3415 0.3415 0.3415 ( 1496 PWs) bands (ev): 2.4413 2.4413 2.4850 2.4850 2.7395 2.7395 2.9252 2.9252 2.9275 2.9275 5.5312 5.5312 7.9531 7.9531 7.9800 7.9800 11.7450 11.7450 11.9452 11.9452 12.0074 12.0074 13.7774 13.7774 k = 0.3476 0.3476 0.3476 ( 1499 PWs) bands (ev): 2.4410 2.4410 2.4846 2.4846 2.7371 2.7371 2.9321 2.9321 2.9340 2.9340 5.6072 5.6072 7.8885 7.8885 7.9151 7.9151 11.8647 11.8647 12.0439 12.0439 12.1026 12.1026 13.6107 13.6107 k = 0.3537 0.3537 0.3537 ( 1499 PWs) bands (ev): 2.4411 2.4411 2.4841 2.4841 2.7350 2.7350 2.9389 2.9389 2.9404 2.9404 5.6825 5.6825 7.8252 7.8252 7.8514 7.8514 11.9817 11.9817 12.1448 12.1448 12.2006 12.2006 13.4525 13.4525 k = 0.3598 0.3598 0.3598 ( 1493 PWs) bands (ev): 2.4416 2.4416 2.4838 2.4838 2.7332 2.7332 2.9458 2.9458 2.9470 2.9470 5.7570 5.7570 7.7633 7.7633 7.7892 7.7892 12.0925 12.0925 12.2444 12.2444 12.3011 12.3011 13.3099 13.3099 k = 0.3659 0.3659 0.3659 ( 1493 PWs) bands (ev): 2.4423 2.4423 2.4833 2.4833 2.7316 2.7316 2.9525 2.9525 2.9535 2.9535 5.8308 5.8308 7.7030 7.7030 7.7285 7.7285 12.1900 12.1900 12.3373 12.3373 12.4039 12.4039 13.1955 13.1955 k = 0.3720 0.3720 0.3720 ( 1493 PWs) bands (ev): 2.4433 2.4433 2.4828 2.4828 2.7301 2.7301 2.9592 2.9592 2.9599 2.9599 5.9040 5.9040 7.6444 7.6444 7.6695 7.6695 12.2543 12.2543 12.4226 12.4226 12.5089 12.5089 13.1300 13.1300 k = 0.3780 0.3780 0.3780 ( 1493 PWs) bands (ev): 2.4445 2.4445 2.4824 2.4824 2.7289 2.7289 2.9657 2.9657 2.9662 2.9662 5.9765 5.9765 7.5876 7.5876 7.6124 7.6124 12.2532 12.2532 12.5132 12.5132 12.6159 12.6159 13.1326 13.1326 k = 0.3841 0.3841 0.3841 ( 1499 PWs) bands (ev): 2.4460 2.4460 2.4818 2.4818 2.7278 2.7278 2.9722 2.9722 2.9724 2.9724 6.0483 6.0483 7.5328 7.5328 7.5572 7.5572 12.1848 12.1848 12.6147 12.6147 12.7247 12.7247 13.1995 13.1995 k = 0.3902 0.3902 0.3902 ( 1499 PWs) bands (ev): 2.4477 2.4477 2.4814 2.4814 2.7269 2.7269 2.9785 2.9785 2.9785 2.9785 6.1195 6.1195 7.4802 7.4802 7.5042 7.5042 12.0747 12.0747 12.7227 12.7227 12.8352 12.8352 13.3094 13.3094 k = 0.3963 0.3963 0.3963 ( 1493 PWs) bands (ev): 2.4498 2.4498 2.4810 2.4810 2.7264 2.7264 2.9846 2.9846 2.9846 2.9846 6.1900 6.1900 7.4297 7.4297 7.4533 7.4533 11.9443 11.9443 12.8342 12.8342 12.9472 12.9472 13.4437 13.4437 k = 0.4024 0.4024 0.4024 ( 1490 PWs) bands (ev): 2.4520 2.4520 2.4806 2.4806 2.7260 2.7260 2.9905 2.9905 2.9906 2.9906 6.2597 6.2597 7.3816 7.3816 7.4048 7.4048 11.8050 11.8050 12.9479 12.9479 13.0606 13.0606 13.5919 13.5919 k = 0.4085 0.4085 0.4085 ( 1496 PWs) bands (ev): 2.4541 2.4541 2.4802 2.4802 2.7256 2.7256 2.9960 2.9960 2.9962 2.9962 6.3285 6.3285 7.3359 7.3359 7.3587 7.3587 11.6630 11.6630 13.0633 13.0633 13.1750 13.1750 13.7481 13.7481 k = 0.4146 0.4146 0.4146 ( 1490 PWs) bands (ev): 2.4564 2.4564 2.4799 2.4799 2.7255 2.7255 3.0016 3.0016 3.0019 3.0019 6.3962 6.3962 7.2927 7.2927 7.3152 7.3152 11.5217 11.5217 13.1800 13.1800 13.2904 13.2904 13.9089 13.9089 k = 0.4207 0.4207 0.4207 ( 1496 PWs) bands (ev): 2.4587 2.4587 2.4796 2.4796 2.7254 2.7254 3.0067 3.0067 3.0070 3.0070 6.4626 6.4626 7.2521 7.2521 7.2742 7.2742 11.3832 11.3832 13.2978 13.2978 13.4064 13.4064 14.0718 14.0718 k = 0.4268 0.4268 0.4268 ( 1496 PWs) bands (ev): 2.4610 2.4610 2.4793 2.4793 2.7254 2.7254 3.0117 3.0117 3.0120 3.0120 6.5274 6.5274 7.2142 7.2142 7.2359 7.2359 11.2490 11.2490 13.4164 13.4164 13.5228 13.5228 14.2348 14.2348 k = 0.4329 0.4329 0.4329 ( 1502 PWs) bands (ev): 2.4631 2.4631 2.4790 2.4790 2.7255 2.7255 3.0163 3.0163 3.0167 3.0167 6.5903 6.5903 7.1790 7.1790 7.2004 7.2004 11.1204 11.1204 13.5356 13.5356 13.6392 13.6392 14.3962 14.3962 k = 0.4390 0.4390 0.4390 ( 1502 PWs) bands (ev): 2.4653 2.4653 2.4788 2.4788 2.7257 2.7257 3.0207 3.0207 3.0210 3.0210 6.6509 6.6509 7.1467 7.1467 7.1677 7.1677 10.9984 10.9984 13.6551 13.6551 13.7553 13.7553 14.5541 14.5541 k = 0.4451 0.4451 0.4451 ( 1502 PWs) bands (ev): 2.4674 2.4674 2.4786 2.4786 2.7259 2.7259 3.0248 3.0248 3.0251 3.0251 6.7086 6.7086 7.1173 7.1173 7.1380 7.1380 10.8840 10.8840 13.7746 13.7746 13.8706 13.8706 14.7067 14.7067 k = 0.4512 0.4512 0.4512 ( 1502 PWs) bands (ev): 2.4694 2.4694 2.4784 2.4784 2.7262 2.7262 3.0285 3.0285 3.0287 3.0287 6.7630 6.7630 7.0908 7.0908 7.1112 7.1112 10.7780 10.7780 13.8935 13.8935 13.9842 13.9842 14.8516 14.8516 k = 0.4573 0.4573 0.4573 ( 1502 PWs) bands (ev): 2.4712 2.4712 2.4782 2.4782 2.7266 2.7266 3.0318 3.0318 3.0320 3.0320 6.8134 6.8134 7.0674 7.0674 7.0874 7.0874 10.6815 10.6815 14.0113 14.0113 14.0955 14.0955 14.9859 14.9859 k = 0.4634 0.4634 0.4634 ( 1496 PWs) bands (ev): 2.4728 2.4728 2.4782 2.4782 2.7269 2.7269 3.0348 3.0348 3.0350 3.0350 6.8590 6.8590 7.0472 7.0472 7.0667 7.0667 10.5953 10.5953 14.1271 14.1271 14.2031 14.2031 15.1060 15.1060 k = 0.4695 0.4695 0.4695 ( 1496 PWs) bands (ev): 2.4743 2.4743 2.4780 2.4780 2.7272 2.7272 3.0373 3.0373 3.0375 3.0375 6.8990 6.8990 7.0302 7.0302 7.0491 7.0491 10.5203 10.5203 14.2396 14.2396 14.3052 14.3052 15.2061 15.2061 k = 0.4756 0.4756 0.4756 ( 1490 PWs) bands (ev): 2.4755 2.4755 2.4780 2.4780 2.7275 2.7275 3.0395 3.0395 3.0396 3.0396 6.9326 6.9326 7.0168 7.0168 7.0346 7.0346 10.4575 10.4575 14.3466 14.3466 14.3995 14.3995 15.2775 15.2775 k = 0.4817 0.4817 0.4817 ( 1472 PWs) bands (ev): 2.4767 2.4767 2.4781 2.4781 2.7280 2.7280 3.0414 3.0414 3.0414 3.0414 6.9583 6.9583 7.0075 7.0075 7.0234 7.0234 10.4076 10.4076 14.4445 14.4445 14.4821 14.4821 15.3088 15.3088 k = 0.4878 0.4878 0.4878 ( 1472 PWs) bands (ev): 2.4774 2.4774 2.4780 2.4780 2.7281 2.7281 3.0425 3.0425 3.0425 3.0425 6.9739 6.9739 7.0042 7.0042 7.0153 7.0153 10.3715 10.3715 14.5274 14.5274 14.5482 14.5482 15.3003 15.3003 k = 0.4939 0.4939 0.4939 ( 1472 PWs) bands (ev): 2.4778 2.4778 2.4780 2.4780 2.7282 2.7282 3.0432 3.0432 3.0432 3.0432 6.9788 6.9788 7.0068 7.0068 7.0104 7.0104 10.3495 10.3495 14.5855 14.5855 14.5916 14.5916 15.2761 15.2761 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): 2.4780 2.4780 2.4780 2.4780 2.7283 2.7283 3.0435 3.0435 3.0435 3.0435 6.9794 6.9794 7.0088 7.0088 7.0088 7.0088 10.3422 10.3422 14.6069 14.6069 14.6069 14.6069 15.2642 15.2642 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): 2.4780 2.4780 2.4780 2.4780 2.7283 2.7283 3.0435 3.0435 3.0435 3.0435 6.9794 6.9794 7.0088 7.0088 7.0088 7.0088 10.3422 10.3422 14.6069 14.6069 14.6069 14.6069 15.2642 15.2642 k = 0.4925 0.5000 0.4925 ( 1472 PWs) bands (ev): 2.4778 2.4778 2.4780 2.4780 2.7282 2.7282 3.0431 3.0431 3.0433 3.0433 6.9788 6.9788 7.0068 7.0068 7.0104 7.0104 10.3495 10.3495 14.5794 14.5794 14.5979 14.5979 15.2760 15.2760 k = 0.4851 0.5000 0.4851 ( 1472 PWs) bands (ev): 2.4775 2.4775 2.4780 2.4780 2.7281 2.7281 3.0421 3.0421 3.0430 3.0430 6.9739 6.9739 7.0043 7.0043 7.0153 7.0153 10.3714 10.3714 14.5062 14.5062 14.5710 14.5710 15.3005 15.3005 k = 0.4776 0.5000 0.4776 ( 1476 PWs) bands (ev): 2.4767 2.4767 2.4780 2.4780 2.7279 2.7279 3.0404 3.0404 3.0423 3.0423 6.9583 6.9583 7.0077 7.0077 7.0233 7.0233 10.4076 10.4076 14.4040 14.4040 14.5268 14.5268 15.3201 15.3201 k = 0.4701 0.5000 0.4701 ( 1484 PWs) bands (ev): 2.4757 2.4757 2.4779 2.4779 2.7276 2.7276 3.0379 3.0379 3.0413 3.0413 6.9327 6.9327 7.0170 7.0170 7.0345 7.0345 10.4573 10.4573 14.2853 14.2853 14.4659 14.4659 15.3267 15.3267 k = 0.4627 0.5000 0.4627 ( 1488 PWs) bands (ev): 2.4745 2.4745 2.4779 2.4779 2.7273 2.7273 3.0348 3.0348 3.0402 3.0402 6.8994 6.8994 7.0304 7.0304 7.0488 7.0488 10.5200 10.5200 14.1575 14.1575 14.3896 14.3896 15.3194 15.3194 k = 0.4552 0.5000 0.4552 ( 1500 PWs) bands (ev): 2.4730 2.4730 2.4778 2.4778 2.7268 2.7268 3.0310 3.0310 3.0387 3.0387 6.8598 6.8598 7.0474 7.0474 7.0661 7.0661 10.5949 10.5949 14.0247 14.0247 14.2993 14.2993 15.2989 15.2989 k = 0.4478 0.5000 0.4478 ( 1500 PWs) bands (ev): 2.4714 2.4714 2.4778 2.4778 2.7265 2.7265 3.0268 3.0268 3.0371 3.0371 6.8151 6.8151 7.0675 7.0675 7.0864 7.0864 10.6811 10.6811 13.8891 13.8891 14.1965 14.1965 15.2656 15.2656 k = 0.4403 0.5000 0.4403 ( 1512 PWs) bands (ev): 2.4695 2.4695 2.4778 2.4778 2.7260 2.7260 3.0220 3.0220 3.0350 3.0350 6.7660 6.7660 7.0905 7.0905 7.1095 7.1095 10.7777 10.7777 13.7521 13.7521 14.0829 14.0829 15.2196 15.2196 k = 0.4328 0.5000 0.4328 ( 1512 PWs) bands (ev): 2.4675 2.4675 2.4778 2.4778 2.7257 2.7257 3.0167 3.0167 3.0328 3.0328 6.7135 6.7135 7.1164 7.1164 7.1354 7.1354 10.8839 10.8839 13.6147 13.6147 13.9604 13.9604 15.1622 15.1622 k = 0.4254 0.5000 0.4254 ( 1512 PWs) bands (ev): 2.4654 2.4654 2.4779 2.4779 2.7254 2.7254 3.0109 3.0109 3.0304 3.0304 6.6583 6.6583 7.1449 7.1449 7.1640 7.1640 10.9989 10.9989 13.4775 13.4775 13.8306 13.8306 15.0951 15.0951 k = 0.4179 0.5000 0.4179 ( 1512 PWs) bands (ev): 2.4631 2.4631 2.4781 2.4781 2.7251 2.7251 3.0047 3.0047 3.0278 3.0278 6.6011 6.6011 7.1758 7.1758 7.1952 7.1952 11.1220 11.1220 13.3407 13.3407 13.6951 13.6951 15.0201 15.0201 k = 0.4104 0.5000 0.4104 ( 1504 PWs) bands (ev): 2.4608 2.4608 2.4783 2.4783 2.7249 2.7249 2.9982 2.9982 3.0250 3.0250 6.5425 6.5425 7.2088 7.2088 7.2290 7.2290 11.2524 11.2524 13.2049 13.2049 13.5555 13.5555 14.9387 14.9387 k = 0.4030 0.5000 0.4030 ( 1504 PWs) bands (ev): 2.4583 2.4583 2.4784 2.4784 2.7247 2.7247 2.9912 2.9912 3.0219 3.0219 6.4831 6.4831 7.2435 7.2435 7.2654 7.2654 11.3897 11.3897 13.0701 13.0701 13.4132 13.4132 14.8519 14.8519 k = 0.3955 0.5000 0.3955 ( 1500 PWs) bands (ev): 2.4557 2.4557 2.4787 2.4787 2.7247 2.7247 2.9840 2.9840 3.0186 3.0186 6.4232 6.4232 7.2793 7.2793 7.3046 7.3046 11.5332 11.5332 12.9365 12.9365 13.2695 13.2695 14.7608 14.7608 k = 0.3881 0.5000 0.3881 ( 1496 PWs) bands (ev): 2.4531 2.4531 2.4789 2.4789 2.7247 2.7247 2.9765 2.9765 3.0151 3.0151 6.3635 6.3635 7.3159 7.3159 7.3465 7.3465 11.6824 11.6824 12.8044 12.8044 13.1255 13.1255 14.6660 14.6660 k = 0.3806 0.5000 0.3806 ( 1496 PWs) bands (ev): 2.4504 2.4504 2.4792 2.4792 2.7248 2.7248 2.9687 2.9687 3.0113 3.0113 6.3041 6.3041 7.3526 7.3526 7.3912 7.3912 11.8369 11.8369 12.6738 12.6738 12.9824 12.9824 14.5683 14.5683 k = 0.3731 0.5000 0.3731 ( 1500 PWs) bands (ev): 2.4477 2.4477 2.4794 2.4794 2.7249 2.7249 2.9607 2.9607 3.0072 3.0072 6.2454 6.2454 7.3892 7.3892 7.4385 7.4385 11.9961 11.9961 12.5448 12.5448 12.8412 12.8412 14.4680 14.4680 k = 0.3657 0.5000 0.3657 ( 1492 PWs) bands (ev): 2.4451 2.4451 2.4798 2.4798 2.7253 2.7253 2.9526 2.9526 3.0031 3.0031 6.1877 6.1877 7.4250 7.4250 7.4883 7.4883 12.1597 12.1597 12.4176 12.4176 12.7030 12.7030 14.3658 14.3658 k = 0.3582 0.5000 0.3582 ( 1494 PWs) bands (ev): 2.4425 2.4425 2.4802 2.4802 2.7258 2.7258 2.9444 2.9444 2.9986 2.9986 6.1311 6.1311 7.4597 7.4597 7.5405 7.5405 12.2921 12.2921 12.3273 12.3273 12.5686 12.5686 14.2622 14.2622 k = 0.3507 0.5000 0.3507 ( 1494 PWs) bands (ev): 2.4399 2.4399 2.4806 2.4806 2.7264 2.7264 2.9361 2.9361 2.9940 2.9940 6.0759 6.0759 7.4926 7.4926 7.5950 7.5950 12.1689 12.1689 12.4387 12.4387 12.4982 12.4982 14.1578 14.1578 k = 0.3433 0.5000 0.3433 ( 1498 PWs) bands (ev): 2.4374 2.4374 2.4810 2.4810 2.7271 2.7271 2.9278 2.9278 2.9892 2.9892 6.0223 6.0223 7.5231 7.5231 7.6516 7.6516 12.0477 12.0477 12.3150 12.3150 12.6710 12.6710 14.0534 14.0534 k = 0.3358 0.5000 0.3358 ( 1498 PWs) bands (ev): 2.4351 2.4351 2.4815 2.4815 2.7280 2.7280 2.9196 2.9196 2.9842 2.9842 5.9703 5.9703 7.5505 7.5505 7.7104 7.7104 11.9286 11.9286 12.1978 12.1978 12.8452 12.8452 13.9504 13.9504 k = 0.3284 0.5000 0.3284 ( 1498 PWs) bands (ev): 2.4329 2.4329 2.4820 2.4820 2.7291 2.7291 2.9115 2.9115 2.9790 2.9790 5.9201 5.9201 7.5741 7.5741 7.7710 7.7710 11.8118 11.8118 12.0880 12.0880 13.0175 13.0175 13.8517 13.8517 k = 0.3209 0.5000 0.3209 ( 1502 PWs) bands (ev): 2.4309 2.4309 2.4825 2.4825 2.7304 2.7304 2.9034 2.9034 2.9737 2.9737 5.8718 5.8718 7.5931 7.5931 7.8336 7.8336 11.6971 11.6971 11.9868 11.9868 13.1804 13.1804 13.7651 13.7651 k = 0.3134 0.5000 0.3134 ( 1502 PWs) bands (ev): 2.4291 2.4291 2.4831 2.4831 2.7319 2.7319 2.8956 2.8956 2.9682 2.9682 5.8254 5.8254 7.6070 7.6070 7.8979 7.8979 11.5847 11.5847 11.8948 11.8948 13.3079 13.3079 13.7162 13.7162 k = 0.3060 0.5000 0.3060 ( 1498 PWs) bands (ev): 2.4276 2.4276 2.4838 2.4838 2.7335 2.7335 2.8880 2.8880 2.9627 2.9627 5.7810 5.7810 7.6149 7.6149 7.9639 7.9639 11.4743 11.4743 11.8132 11.8132 13.3426 13.3426 13.7627 13.7627 k = 0.2985 0.5000 0.2985 ( 1496 PWs) bands (ev): 2.4263 2.4263 2.4844 2.4844 2.7354 2.7354 2.8806 2.8806 2.9570 2.9570 5.7386 5.7386 7.6162 7.6162 8.0314 8.0314 11.3661 11.3661 11.7425 11.7425 13.2877 13.2877 13.9013 13.9013 k = 0.2910 0.5000 0.2910 ( 1500 PWs) bands (ev): 2.4252 2.4252 2.4850 2.4850 2.7373 2.7373 2.8735 2.8735 2.9512 2.9512 5.6983 5.6983 7.6104 7.6104 8.1004 8.1004 11.2599 11.2599 11.6834 11.6834 13.1984 13.1984 14.0766 14.0766 k = 0.2836 0.5000 0.2836 ( 1500 PWs) bands (ev): 2.4244 2.4244 2.4857 2.4857 2.7395 2.7395 2.8667 2.8667 2.9453 2.9453 5.6600 5.6600 7.5972 7.5972 8.1708 8.1708 11.1557 11.1557 11.6363 11.6363 13.0977 13.0977 14.2658 14.2658 k = 0.2761 0.5000 0.2761 ( 1496 PWs) bands (ev): 2.4239 2.4239 2.4863 2.4863 2.7418 2.7418 2.8604 2.8604 2.9395 2.9395 5.6239 5.6239 7.5763 7.5763 8.2424 8.2424 11.0536 11.0536 11.6015 11.6015 12.9925 12.9925 14.4618 14.4618 k = 0.2687 0.5000 0.2687 ( 1500 PWs) bands (ev): 2.4236 2.4236 2.4870 2.4870 2.7442 2.7442 2.8544 2.8544 2.9335 2.9335 5.5898 5.5898 7.5477 7.5477 8.3151 8.3151 10.9536 10.9536 11.5788 11.5788 12.8854 12.8854 14.6618 14.6618 k = 0.2612 0.5000 0.2612 ( 1500 PWs) bands (ev): 2.4236 2.4236 2.4876 2.4876 2.7468 2.7468 2.8488 2.8488 2.9276 2.9276 5.5577 5.5577 7.5115 7.5115 8.3889 8.3889 10.8558 10.8558 11.5681 11.5681 12.7775 12.7775 14.8641 14.8641 k = 0.2537 0.5000 0.2537 ( 1492 PWs) bands (ev): 2.4240 2.4240 2.4883 2.4883 2.7496 2.7496 2.8437 2.8437 2.9219 2.9219 5.5277 5.5277 7.4681 7.4681 8.4635 8.4635 10.7602 10.7602 11.5689 11.5689 12.6696 12.6696 15.0420 15.0420 k = 0.2463 0.5000 0.2463 ( 1496 PWs) bands (ev): 2.4246 2.4246 2.4888 2.4888 2.7523 2.7523 2.8391 2.8391 2.9162 2.9162 5.4998 5.4998 7.4178 7.4178 8.5390 8.5390 10.6667 10.6667 11.5807 11.5807 12.5621 12.5621 15.0388 15.0388 k = 0.2388 0.5000 0.2388 ( 1496 PWs) bands (ev): 2.4254 2.4254 2.4893 2.4893 2.7550 2.7550 2.8350 2.8350 2.9105 2.9105 5.4738 5.4738 7.3614 7.3614 8.6151 8.6151 10.5756 10.5756 11.6026 11.6026 12.4553 12.4553 15.0209 15.0209 k = 0.2313 0.5000 0.2313 ( 1496 PWs) bands (ev): 2.4266 2.4266 2.4898 2.4898 2.7579 2.7579 2.8316 2.8316 2.9050 2.9050 5.4498 5.4498 7.2994 7.2994 8.6917 8.6917 10.4868 10.4868 11.6337 11.6337 12.3494 12.3494 15.0024 15.0024 k = 0.2239 0.5000 0.2239 ( 1496 PWs) bands (ev): 2.4280 2.4280 2.4902 2.4902 2.7606 2.7606 2.8287 2.8287 2.8996 2.8996 5.4278 5.4278 7.2326 7.2326 8.7687 8.7687 10.4004 10.4004 11.6732 11.6732 12.2447 12.2447 14.9840 14.9840 k = 0.2164 0.5000 0.2164 ( 1496 PWs) bands (ev): 2.4296 2.4296 2.4905 2.4905 2.7633 2.7633 2.8265 2.8265 2.8945 2.8945 5.4076 5.4076 7.1618 7.1618 8.8460 8.8460 10.3163 10.3163 11.7199 11.7199 12.1416 12.1416 14.9658 14.9658 k = 0.2090 0.5000 0.2090 ( 1496 PWs) bands (ev): 2.4315 2.4315 2.4908 2.4908 2.7659 2.7659 2.8250 2.8250 2.8897 2.8897 5.3892 5.3892 7.0877 7.0877 8.9234 8.9234 10.2347 10.2347 11.7722 11.7722 12.0408 12.0408 14.9479 14.9479 k = 0.2015 0.5000 0.2015 ( 1504 PWs) bands (ev): 2.4335 2.4335 2.4909 2.4909 2.7682 2.7682 2.8240 2.8240 2.8850 2.8850 5.3725 5.3725 7.0109 7.0109 9.0007 9.0007 10.1556 10.1556 11.8259 11.8259 11.9459 11.9459 14.9305 14.9305 k = 0.1940 0.5000 0.1940 ( 1500 PWs) bands (ev): 2.4358 2.4358 2.4911 2.4911 2.7705 2.7705 2.8238 2.8238 2.8809 2.8809 5.3576 5.3576 6.9323 6.9323 9.0777 9.0777 10.0791 10.0791 11.8227 11.8227 11.9141 11.9141 14.9137 14.9137 k = 0.1866 0.5000 0.1866 ( 1500 PWs) bands (ev): 2.4381 2.4381 2.4912 2.4912 2.7725 2.7725 2.8240 2.8240 2.8772 2.8772 5.3443 5.3443 6.8524 6.8524 9.1544 9.1544 10.0050 10.0050 11.7351 11.7351 11.9724 11.9724 14.8975 14.8975 k = 0.1791 0.5000 0.1791 ( 1500 PWs) bands (ev): 2.4406 2.4406 2.4913 2.4913 2.7745 2.7745 2.8247 2.8247 2.8742 2.8742 5.3326 5.3326 6.7718 6.7718 9.2305 9.2305 9.9336 9.9336 11.6419 11.6419 12.0412 12.0412 14.8820 14.8820 k = 0.1716 0.5000 0.1716 ( 1500 PWs) bands (ev): 2.4431 2.4431 2.4913 2.4913 2.7763 2.7763 2.8255 2.8255 2.8719 2.8719 5.3224 5.3224 6.6912 6.6912 9.3059 9.3059 9.8648 9.8648 11.5498 11.5498 12.1131 12.1131 14.8672 14.8672 k = 0.1642 0.5000 0.1642 ( 1510 PWs) bands (ev): 2.4455 2.4455 2.4912 2.4912 2.7779 2.7779 2.8262 2.8262 2.8703 2.8703 5.3136 5.3136 6.6108 6.6108 9.3802 9.3802 9.7987 9.7987 11.4598 11.4598 12.1867 12.1867 14.8533 14.8533 k = 0.1567 0.5000 0.1567 ( 1498 PWs) bands (ev): 2.4481 2.4481 2.4914 2.4914 2.7798 2.7798 2.8271 2.8271 2.8699 2.8699 5.3062 5.3062 6.5314 6.5314 9.4533 9.4533 9.7355 9.7355 11.3720 11.3720 12.2610 12.2610 14.8403 14.8403 k = 0.1493 0.5000 0.1493 ( 1498 PWs) bands (ev): 2.4506 2.4506 2.4914 2.4914 2.7817 2.7817 2.8275 2.8275 2.8703 2.8703 5.3000 5.3000 6.4531 6.4531 9.5244 9.5244 9.6756 9.6756 11.2868 11.2868 12.3352 12.3352 14.8283 14.8283 k = 0.1418 0.5000 0.1418 ( 1498 PWs) bands (ev): 2.4529 2.4529 2.4915 2.4915 2.7836 2.7836 2.8276 2.8276 2.8716 2.8716 5.2950 5.2950 6.3765 6.3765 9.5864 9.5864 9.6261 9.6261 11.2044 11.2044 12.4088 12.4088 14.8173 14.8173 k = 0.1343 0.5000 0.1343 ( 1498 PWs) bands (ev): 2.4551 2.4551 2.4917 2.4917 2.7857 2.7857 2.8274 2.8274 2.8738 2.8738 5.2911 5.2911 6.3019 6.3019 9.5572 9.5572 9.6688 9.6688 11.1250 11.1250 12.4810 12.4810 14.8073 14.8073 k = 0.1269 0.5000 0.1269 ( 1498 PWs) bands (ev): 2.4570 2.4570 2.4919 2.4919 2.7879 2.7879 2.8269 2.8269 2.8766 2.8766 5.2882 5.2882 6.2295 6.2295 9.5061 9.5061 9.7342 9.7342 11.0486 11.0486 12.5513 12.5513 14.7985 14.7985 k = 0.1194 0.5000 0.1194 ( 1488 PWs) bands (ev): 2.4589 2.4589 2.4924 2.4924 2.7904 2.7904 2.8264 2.8264 2.8801 2.8801 5.2862 5.2862 6.1597 6.1597 9.4568 9.4568 9.7984 9.7984 10.9755 10.9755 12.6192 12.6192 14.7907 14.7907 k = 0.1119 0.5000 0.1119 ( 1488 PWs) bands (ev): 2.4604 2.4604 2.4928 2.4928 2.7929 2.7929 2.8258 2.8258 2.8838 2.8838 5.2850 5.2850 6.0928 6.0928 9.4101 9.4101 9.8605 9.8605 10.9059 10.9059 12.6843 12.6843 14.7841 14.7841 k = 0.1045 0.5000 0.1045 ( 1492 PWs) bands (ev): 2.4615 2.4615 2.4934 2.4934 2.7954 2.7954 2.8251 2.8251 2.8877 2.8877 5.2845 5.2845 6.0289 6.0289 9.3662 9.3662 9.9200 9.9200 10.8399 10.8399 12.7461 12.7461 14.7786 14.7786 k = 0.0970 0.5000 0.0970 ( 1492 PWs) bands (ev): 2.4624 2.4624 2.4941 2.4941 2.7981 2.7981 2.8246 2.8246 2.8918 2.8918 5.2846 5.2846 5.9684 5.9684 9.3252 9.3252 9.9767 9.9767 10.7776 10.7776 12.8044 12.8044 14.7741 14.7741 k = 0.0896 0.5000 0.0896 ( 1486 PWs) bands (ev): 2.4631 2.4631 2.4949 2.4949 2.8009 2.8009 2.8242 2.8242 2.8961 2.8961 5.2852 5.2852 5.9114 5.9114 9.2871 9.2871 10.0302 10.0302 10.7193 10.7193 12.8588 12.8588 14.7706 14.7706 k = 0.0821 0.5000 0.0821 ( 1486 PWs) bands (ev): 2.4636 2.4636 2.4957 2.4957 2.8037 2.8037 2.8237 2.8237 2.9002 2.9002 5.2862 5.2862 5.8582 5.8582 9.2519 9.2519 10.0804 10.0804 10.6651 10.6651 12.9092 12.9092 14.7680 14.7680 k = 0.0746 0.5000 0.0746 ( 1498 PWs) bands (ev): 2.4636 2.4636 2.4964 2.4964 2.8063 2.8063 2.8233 2.8233 2.9041 2.9041 5.2875 5.2875 5.8088 5.8088 9.2197 9.2197 10.1270 10.1270 10.6152 10.6152 12.9553 12.9553 14.7663 14.7663 k = 0.0672 0.5000 0.0672 ( 1498 PWs) bands (ev): 2.4638 2.4638 2.4972 2.4972 2.8090 2.8090 2.8231 2.8231 2.9078 2.9078 5.2891 5.2891 5.7636 5.7636 9.1904 9.1904 10.1697 10.1697 10.5698 10.5698 12.9970 12.9970 14.7653 14.7653 k = 0.0597 0.5000 0.0597 ( 1494 PWs) bands (ev): 2.4639 2.4639 2.4980 2.4980 2.8116 2.8116 2.8230 2.8230 2.9114 2.9114 5.2908 5.2908 5.7227 5.7227 9.1643 9.1643 10.2082 10.2082 10.5290 10.5290 13.0343 13.0343 14.7649 14.7649 k = 0.0522 0.5000 0.0522 ( 1494 PWs) bands (ev): 2.4639 2.4639 2.4988 2.4988 2.8140 2.8140 2.8229 2.8229 2.9146 2.9146 5.2925 5.2925 5.6862 5.6862 9.1411 9.1411 10.2423 10.2423 10.4932 10.4932 13.0672 13.0672 14.7650 14.7650 k = 0.0448 0.5000 0.0448 ( 1490 PWs) bands (ev): 2.4638 2.4638 2.4994 2.4994 2.8163 2.8163 2.8229 2.8229 2.9176 2.9176 5.2942 5.2942 5.6542 5.6542 9.1210 9.1210 10.2715 10.2715 10.4625 10.4625 13.0956 13.0956 14.7654 14.7654 k = 0.0373 0.5000 0.0373 ( 1490 PWs) bands (ev): 2.4637 2.4637 2.5000 2.5000 2.8183 2.8183 2.8228 2.8228 2.9202 2.9202 5.2957 5.2957 5.6270 5.6270 9.1039 9.1039 10.2954 10.2954 10.4376 10.4376 13.1195 13.1195 14.7660 14.7660 k = 0.0299 0.5000 0.0299 ( 1490 PWs) bands (ev): 2.4636 2.4636 2.5005 2.5005 2.8200 2.8200 2.8228 2.8228 2.9223 2.9223 5.2971 5.2971 5.6045 5.6045 9.0900 9.0900 10.3131 10.3131 10.4191 10.4191 13.1390 13.1390 14.7667 14.7667 k = 0.0224 0.5000 0.0224 ( 1490 PWs) bands (ev): 2.4635 2.4635 2.5008 2.5008 2.8213 2.8213 2.8229 2.8229 2.9240 2.9240 5.2982 5.2982 5.5869 5.5869 9.0791 9.0791 10.3242 10.3242 10.4074 10.4074 13.1541 13.1541 14.7673 14.7673 k = 0.0149 0.5000 0.0149 ( 1494 PWs) bands (ev): 2.4634 2.4634 2.5010 2.5010 2.8222 2.8222 2.8228 2.8228 2.9252 2.9252 5.2991 5.2991 5.5743 5.5743 9.0713 9.0713 10.3291 10.3291 10.4021 10.4021 13.1648 13.1648 14.7679 14.7679 k = 0.0075 0.5000 0.0075 ( 1496 PWs) bands (ev): 2.4634 2.4634 2.5011 2.5011 2.8227 2.8227 2.8229 2.8229 2.9259 2.9259 5.2996 5.2996 5.5667 5.5667 9.0667 9.0667 10.3303 10.3303 10.4008 10.4008 13.1713 13.1713 14.7682 14.7682 k = 0.0000 0.5000-0.0000 ( 1510 PWs) bands (ev): 2.4631 2.4631 2.5010 2.5010 2.8226 2.8226 2.8229 2.8229 2.9261 2.9261 5.2998 5.2998 5.5642 5.5642 9.0651 9.0651 10.3303 10.3303 10.4007 10.4007 13.1734 13.1734 14.7683 14.7683 k = 0.5000 0.5000-0.0000 ( 1492 PWs) bands (ev): 2.3442 2.3442 2.3608 2.3608 2.6862 2.6862 2.7166 2.7166 3.0273 3.0273 5.3541 5.3541 9.2411 9.2411 9.2940 9.2940 9.3995 9.3995 11.6876 11.6876 11.7312 11.7312 14.4654 14.4654 k = 0.5000 0.5000 0.0104 ( 1492 PWs) bands (ev): 2.3444 2.3444 2.3611 2.3611 2.6865 2.6865 2.7166 2.7166 3.0273 3.0273 5.3550 5.3550 9.2441 9.2441 9.2887 9.2887 9.3937 9.3937 11.6938 11.6938 11.7380 11.7380 14.4656 14.4656 k = 0.5000 0.5000 0.0208 ( 1500 PWs) bands (ev): 2.3450 2.3450 2.3619 2.3619 2.6870 2.6870 2.7164 2.7164 3.0274 3.0274 5.3577 5.3577 9.2529 9.2529 9.2732 9.2732 9.3765 9.3765 11.7121 11.7121 11.7580 11.7580 14.4660 14.4660 k = 0.5000 0.5000 0.0312 ( 1500 PWs) bands (ev): 2.3460 2.3460 2.3635 2.3635 2.6881 2.6881 2.7164 2.7164 3.0274 3.0274 5.3621 5.3621 9.2476 9.2476 9.2679 9.2679 9.3486 9.3486 11.7421 11.7421 11.7907 11.7907 14.4667 14.4667 k = 0.5000 0.5000 0.0417 ( 1500 PWs) bands (ev): 2.3473 2.3473 2.3656 2.3656 2.6897 2.6897 2.7163 2.7163 3.0275 3.0275 5.3684 5.3684 9.2131 9.2131 9.2887 9.2887 9.3108 9.3108 11.7830 11.7830 11.8352 11.8352 14.4677 14.4677 k = 0.5000 0.5000 0.0521 ( 1500 PWs) bands (ev): 2.3490 2.3490 2.3683 2.3683 2.6918 2.6918 2.7163 2.7163 3.0277 3.0277 5.3764 5.3764 9.1705 9.1705 9.2643 9.2643 9.3154 9.3154 11.8339 11.8339 11.8903 11.8903 14.4690 14.4690 k = 0.5000 0.5000 0.0625 ( 1496 PWs) bands (ev): 2.3511 2.3511 2.3717 2.3717 2.6944 2.6944 2.7162 2.7162 3.0278 3.0278 5.3863 5.3863 9.1207 9.1207 9.2102 9.2102 9.3480 9.3480 11.8937 11.8937 11.9548 11.9548 14.4706 14.4706 k = 0.5000 0.5000 0.0729 ( 1496 PWs) bands (ev): 2.3536 2.3536 2.3753 2.3753 2.6975 2.6975 2.7162 2.7162 3.0280 3.0280 5.3980 5.3980 9.0649 9.0649 9.1498 9.1498 9.3866 9.3866 11.9615 11.9615 12.0276 12.0276 14.4724 14.4724 k = 0.5000 0.5000 0.0833 ( 1492 PWs) bands (ev): 2.3563 2.3563 2.3795 2.3795 2.7012 2.7012 2.7162 2.7162 3.0282 3.0282 5.4115 5.4115 9.0040 9.0040 9.0842 9.0842 9.4310 9.4310 12.0361 12.0361 12.1076 12.1076 14.4744 14.4744 k = 0.5000 0.5000 0.0937 ( 1500 PWs) bands (ev): 2.3594 2.3594 2.3837 2.3837 2.7052 2.7052 2.7161 2.7161 3.0284 3.0284 5.4268 5.4268 8.9390 8.9390 9.0144 9.0144 9.4813 9.4813 12.1167 12.1167 12.1936 12.1936 14.4767 14.4767 k = 0.5000 0.5000 0.1042 ( 1500 PWs) bands (ev): 2.3627 2.3627 2.3884 2.3884 2.7099 2.7099 2.7160 2.7160 3.0287 3.0287 5.4441 5.4441 8.8707 8.8707 8.9413 8.9413 9.5375 9.5375 12.2025 12.2025 12.2849 12.2849 14.4791 14.4791 k = 0.5000 0.5000 0.1146 ( 1500 PWs) bands (ev): 2.3663 2.3663 2.3934 2.3934 2.7153 2.7153 2.7159 2.7159 3.0290 3.0290 5.4632 5.4632 8.7998 8.7998 8.8656 8.8656 9.5994 9.5994 12.2926 12.2926 12.3806 12.3806 14.4818 14.4818 k = 0.5000 0.5000 0.1250 ( 1508 PWs) bands (ev): 2.3700 2.3700 2.3983 2.3983 2.7157 2.7157 2.7212 2.7212 3.0293 3.0293 5.4843 5.4843 8.7270 8.7270 8.7882 8.7882 9.6671 9.6671 12.3865 12.3865 12.4800 12.4800 14.4845 14.4845 k = 0.5000 0.5000 0.1354 ( 1508 PWs) bands (ev): 2.3740 2.3740 2.4035 2.4035 2.7157 2.7157 2.7279 2.7279 3.0296 3.0296 5.5073 5.5073 8.6529 8.6529 8.7096 8.7096 9.7406 9.7406 12.4836 12.4836 12.5826 12.5826 14.4872 14.4872 k = 0.5000 0.5000 0.1458 ( 1504 PWs) bands (ev): 2.3782 2.3782 2.4087 2.4087 2.7157 2.7157 2.7353 2.7353 3.0300 3.0300 5.5323 5.5323 8.5779 8.5779 8.6302 8.6302 9.8198 9.8198 12.5833 12.5833 12.6877 12.6877 14.4896 14.4896 k = 0.5000 0.5000 0.1562 ( 1492 PWs) bands (ev): 2.3825 2.3825 2.4141 2.4141 2.7159 2.7159 2.7435 2.7435 3.0304 3.0304 5.5593 5.5593 8.5025 8.5025 8.5505 8.5505 9.9046 9.9046 12.6853 12.6853 12.7951 12.7951 14.4906 14.4906 k = 0.5000 0.5000 0.1667 ( 1492 PWs) bands (ev): 2.3870 2.3870 2.4192 2.4192 2.7160 2.7160 2.7521 2.7521 3.0308 3.0308 5.5883 5.5883 8.4271 8.4271 8.4710 8.4710 9.9950 9.9950 12.7891 12.7891 12.9042 12.9042 14.4824 14.4824 k = 0.5000 0.5000 0.1771 ( 1492 PWs) bands (ev): 2.3915 2.3915 2.4240 2.4240 2.7160 2.7160 2.7614 2.7614 3.0312 3.0312 5.6193 5.6193 8.3520 8.3520 8.3919 8.3919 10.0909 10.0909 12.8944 12.8944 13.0147 13.0147 14.3825 14.3825 k = 0.5000 0.5000 0.1875 ( 1492 PWs) bands (ev): 2.3960 2.3960 2.4287 2.4287 2.7161 2.7161 2.7714 2.7714 3.0316 3.0316 5.6523 5.6523 8.2774 8.2774 8.3134 8.3134 10.1923 10.1923 13.0009 13.0009 13.1264 13.1264 14.2082 14.2082 k = 0.5000 0.5000 0.1979 ( 1492 PWs) bands (ev): 2.4006 2.4006 2.4332 2.4332 2.7162 2.7162 2.7818 2.7818 3.0321 3.0321 5.6873 5.6873 8.2037 8.2037 8.2360 8.2360 10.2991 10.2991 13.1084 13.1084 13.2387 13.2387 14.0273 14.0273 k = 0.5000 0.5000 0.2083 ( 1508 PWs) bands (ev): 2.4050 2.4050 2.4372 2.4372 2.7162 2.7162 2.7928 2.7928 3.0323 3.0323 5.7244 5.7244 8.1310 8.1310 8.1598 8.1598 10.4112 10.4112 13.2165 13.2165 13.3513 13.3513 13.8459 13.8459 k = 0.5000 0.5000 0.2187 ( 1508 PWs) bands (ev): 2.4095 2.4095 2.4412 2.4412 2.7164 2.7164 2.8043 2.8043 3.0328 3.0328 5.7636 5.7636 8.0596 8.0596 8.0849 8.0849 10.5285 10.5285 13.3250 13.3250 13.4623 13.4623 13.6667 13.6667 k = 0.5000 0.5000 0.2292 ( 1492 PWs) bands (ev): 2.4143 2.4143 2.4451 2.4451 2.7170 2.7170 2.8163 2.8163 3.0334 3.0334 5.8047 5.8047 7.9896 7.9896 8.0116 8.0116 10.6509 10.6509 13.4337 13.4337 13.4730 13.4730 13.5888 13.5888 k = 0.5000 0.5000 0.2396 ( 1496 PWs) bands (ev): 2.4187 2.4187 2.4485 2.4485 2.7172 2.7172 2.8284 2.8284 3.0339 3.0339 5.8479 5.8479 7.9212 7.9212 7.9401 7.9401 10.7783 10.7783 13.2993 13.2993 13.5423 13.5423 13.6965 13.6965 k = 0.5000 0.5000 0.2500 ( 1496 PWs) bands (ev): 2.4231 2.4231 2.4516 2.4516 2.7176 2.7176 2.8409 2.8409 3.0344 3.0344 5.8930 5.8930 7.8546 7.8546 7.8704 7.8704 10.9105 10.9105 13.1220 13.1220 13.6507 13.6507 13.8089 13.8089 k = 0.5000 0.5000 0.2604 ( 1496 PWs) bands (ev): 2.4274 2.4274 2.4545 2.4545 2.7180 2.7180 2.8535 2.8535 3.0349 3.0349 5.9400 5.9400 7.7898 7.7898 7.8028 7.8028 11.0475 11.0475 12.9462 12.9462 13.7586 13.7586 13.9214 13.9214 k = 0.5000 0.5000 0.2708 ( 1496 PWs) bands (ev): 2.4315 2.4315 2.4571 2.4571 2.7184 2.7184 2.8663 2.8663 3.0355 3.0355 5.9889 5.9889 7.7271 7.7271 7.7373 7.7373 11.1890 11.1890 12.7724 12.7724 13.8658 13.8658 14.0333 14.0333 k = 0.5000 0.5000 0.2812 ( 1496 PWs) bands (ev): 2.4355 2.4355 2.4595 2.4595 2.7188 2.7188 2.8792 2.8792 3.0359 3.0359 6.0396 6.0396 7.6664 7.6664 7.6740 7.6740 11.3350 11.3350 12.6011 12.6011 13.9721 13.9721 14.1442 14.1442 k = 0.5000 0.5000 0.2917 ( 1496 PWs) bands (ev): 2.4394 2.4394 2.4617 2.4617 2.7193 2.7193 2.8920 2.8920 3.0365 3.0365 6.0920 6.0920 7.6080 7.6080 7.6131 7.6131 11.4852 11.4852 12.4326 12.4326 14.0771 14.0771 14.2537 14.2537 k = 0.5000 0.5000 0.3021 ( 1496 PWs) bands (ev): 2.4431 2.4431 2.4637 2.4637 2.7198 2.7198 2.9046 2.9046 3.0370 3.0370 6.1459 6.1459 7.5519 7.5519 7.5546 7.5546 11.6395 11.6395 12.2672 12.2672 14.1808 14.1808 14.3611 14.3611 k = 0.5000 0.5000 0.3125 ( 1496 PWs) bands (ev): 2.4466 2.4466 2.4655 2.4655 2.7204 2.7204 2.9170 2.9170 3.0375 3.0375 6.2012 6.2012 7.4982 7.4982 7.4986 7.4986 11.7976 11.7976 12.1053 12.1053 14.2827 14.2827 14.4644 14.4644 k = 0.5000 0.5000 0.3229 ( 1496 PWs) bands (ev): 2.4500 2.4500 2.4671 2.4671 2.7210 2.7210 2.9292 2.9292 3.0380 3.0380 6.2577 6.2577 7.4452 7.4452 7.4470 7.4470 11.9472 11.9472 11.9593 11.9593 14.3826 14.3826 14.5446 14.5446 k = 0.5000 0.5000 0.3333 ( 1496 PWs) bands (ev): 2.4532 2.4532 2.4685 2.4685 2.7215 2.7215 2.9410 2.9410 3.0385 3.0385 6.3153 6.3153 7.3945 7.3945 7.3983 7.3983 11.7933 11.7933 12.1244 12.1244 14.4803 14.4803 14.5654 14.5654 k = 0.5000 0.5000 0.3437 ( 1496 PWs) bands (ev): 2.4562 2.4562 2.4698 2.4698 2.7221 2.7221 2.9524 2.9524 3.0390 3.0390 6.3735 6.3735 7.3466 7.3466 7.3523 7.3523 11.6439 11.6439 12.2925 12.2925 14.5723 14.5723 14.5752 14.5752 k = 0.5000 0.5000 0.3542 ( 1496 PWs) bands (ev): 2.4590 2.4590 2.4710 2.4710 2.7227 2.7227 2.9633 2.9633 3.0394 3.0394 6.4322 6.4322 7.3015 7.3015 7.3089 7.3089 11.4994 11.4994 12.4633 12.4633 14.5772 14.5772 14.6671 14.6671 k = 0.5000 0.5000 0.3646 ( 1496 PWs) bands (ev): 2.4616 2.4616 2.4719 2.4719 2.7233 2.7233 2.9736 2.9736 3.0400 3.0400 6.4910 6.4910 7.2592 7.2592 7.2683 7.2683 11.3604 11.3604 12.6365 12.6365 14.5814 14.5814 14.7555 14.7555 k = 0.5000 0.5000 0.3750 ( 1496 PWs) bands (ev): 2.4640 2.4640 2.4728 2.4728 2.7238 2.7238 2.9834 2.9834 3.0404 3.0404 6.5495 6.5495 7.2199 7.2199 7.2305 7.2305 11.2273 11.2273 12.8118 12.8118 14.5851 14.5851 14.8400 14.8400 k = 0.5000 0.5000 0.3854 ( 1504 PWs) bands (ev): 2.4662 2.4662 2.4735 2.4735 2.7244 2.7244 2.9923 2.9923 3.0408 3.0408 6.6071 6.6071 7.1836 7.1836 7.1955 7.1955 11.1007 11.1007 12.9885 12.9885 14.5885 14.5885 14.9201 14.9201 k = 0.5000 0.5000 0.3958 ( 1504 PWs) bands (ev): 2.4682 2.4682 2.4743 2.4743 2.7249 2.7249 3.0009 3.0009 3.0412 3.0412 6.6634 6.6634 7.1503 7.1503 7.1635 7.1635 10.9812 10.9812 13.1662 13.1662 14.5916 14.5916 14.9952 14.9952 k = 0.5000 0.5000 0.4062 ( 1504 PWs) bands (ev): 2.4700 2.4700 2.4749 2.4749 2.7254 2.7254 3.0087 3.0087 3.0415 3.0415 6.7178 6.7178 7.1200 7.1200 7.1343 7.1343 10.8694 10.8694 13.3443 13.3443 14.5945 14.5945 15.0647 15.0647 k = 0.5000 0.5000 0.4167 ( 1496 PWs) bands (ev): 2.4717 2.4717 2.4755 2.4755 2.7260 2.7260 3.0158 3.0158 3.0421 3.0421 6.7695 6.7695 7.0929 7.0929 7.1082 7.1082 10.7661 10.7661 13.5220 13.5220 14.5970 14.5970 15.1278 15.1278 k = 0.5000 0.5000 0.4271 ( 1496 PWs) bands (ev): 2.4732 2.4732 2.4760 2.4760 2.7264 2.7264 3.0221 3.0221 3.0423 3.0423 6.8178 6.8178 7.0690 7.0690 7.0850 7.0850 10.6722 10.6722 13.6982 13.6982 14.5993 14.5993 15.1837 15.1837 k = 0.5000 0.5000 0.4375 ( 1496 PWs) bands (ev): 2.4744 2.4744 2.4764 2.4764 2.7268 2.7268 3.0276 3.0276 3.0426 3.0426 6.8618 6.8618 7.0483 7.0483 7.0649 7.0649 10.5883 10.5883 13.8717 13.8717 14.6013 14.6013 15.2312 15.2312 k = 0.5000 0.5000 0.4479 ( 1496 PWs) bands (ev): 2.4755 2.4755 2.4768 2.4768 2.7272 2.7272 3.0323 3.0323 3.0428 3.0428 6.9008 6.9008 7.0310 7.0310 7.0478 7.0478 10.5154 10.5154 14.0405 14.0405 14.6030 14.6030 15.2686 15.2686 k = 0.5000 0.5000 0.4583 ( 1488 PWs) bands (ev): 2.4764 2.4764 2.4772 2.4772 2.7276 2.7276 3.0362 3.0362 3.0431 3.0431 6.9335 6.9335 7.0174 7.0174 7.0338 7.0338 10.4543 10.4543 14.2019 14.2019 14.6044 14.6044 15.2936 15.2936 k = 0.5000 0.5000 0.4687 ( 1472 PWs) bands (ev): 2.4771 2.4771 2.4777 2.4777 2.7280 2.7280 3.0396 3.0396 3.0433 3.0433 6.9587 6.9587 7.0079 7.0079 7.0229 7.0229 10.4059 10.4059 14.3511 14.3511 14.6055 14.6055 15.3030 15.3030 k = 0.5000 0.5000 0.4792 ( 1472 PWs) bands (ev): 2.4776 2.4776 2.4779 2.4779 2.7281 2.7281 3.0417 3.0417 3.0434 3.0434 6.9740 6.9740 7.0044 7.0044 7.0151 7.0151 10.3707 10.3707 14.4795 14.4795 14.6062 14.6062 15.2948 15.2948 k = 0.5000 0.5000 0.4896 ( 1472 PWs) bands (ev): 2.4779 2.4779 2.4779 2.4779 2.7282 2.7282 3.0430 3.0430 3.0435 3.0435 6.9788 6.9788 7.0069 7.0069 7.0104 7.0104 10.3493 10.3493 14.5719 14.5719 14.6067 14.6067 15.2753 15.2753 k = 0.5000 0.5000 0.5000 ( 1472 PWs) bands (ev): 2.4780 2.4780 2.4780 2.4780 2.7283 2.7283 3.0435 3.0435 3.0435 3.0435 6.9794 6.9794 7.0088 7.0088 7.0088 7.0088 10.3422 10.3422 14.6069 14.6069 14.6069 14.6069 15.2642 15.2642 Writing output data file ZrZn.save init_run : 0.37s CPU 0.53s WALL ( 1 calls) electrons : 31.37s CPU 34.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 31.36s CPU 34.82s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 366 calls) cegterg : 27.60s CPU 28.20s WALL ( 370 calls) Called by sum_band: Called by *egterg: h_psi : 13.99s CPU 14.19s WALL ( 5628 calls) s_psi : 0.41s CPU 0.44s WALL ( 5628 calls) g_psi : 0.03s CPU 0.04s WALL ( 4892 calls) cdiaghg : 13.40s CPU 13.79s WALL ( 5258 calls) cegterg:over : 0.88s CPU 0.90s WALL ( 4892 calls) cegterg:upda : 0.59s CPU 0.66s WALL ( 4892 calls) cegterg:last : 0.35s CPU 0.38s WALL ( 1091 calls) cdiaghg:chol : 0.69s CPU 0.71s WALL ( 5258 calls) cdiaghg:inve : 0.18s CPU 0.21s WALL ( 5258 calls) cdiaghg:para : 0.88s CPU 0.93s WALL ( 10516 calls) Called by h_psi: h_psi:vloc : 12.74s CPU 12.92s WALL ( 5628 calls) h_psi:vnl : 1.24s CPU 1.24s WALL ( 5628 calls) add_vuspsi : 0.63s CPU 0.66s WALL ( 5628 calls) General routines calbec : 0.59s CPU 0.57s WALL ( 5628 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.10s CPU 12.25s WALL ( 347524 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.13s WALL ( 732 calls) Parallel routines fft_scatter : 6.56s CPU 6.58s WALL ( 347547 calls) PWSCF : 0m38.08s CPU 1m36.39s WALL This run was terminated on: 21:19:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=