Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:41:17 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: ./Y3Al.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 28 8 1461 679 112 Max 48 29 9 1464 695 115 Sum 1701 1033 305 52635 24837 4067 bravais-lattice index = 14 lattice parameter (alat) = 9.1047 a.u. unit-cell volume = 754.7392 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 39.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.104700 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Al 3.00 26.98150 Al( 1.00) Y 11.00 88.90590 Y( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 256 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0039062 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0039062 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0039062 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0039062 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0039062 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0039062 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0039062 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0039062 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0039062 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0039062 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0039062 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0039062 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0039062 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0039062 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0039062 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0039062 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0039062 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0039062 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0039062 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0039062 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0039062 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0039062 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0039062 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0039062 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0039062 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0039062 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0039062 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0039062 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0039062 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0039062 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0039062 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0039062 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039062 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039062 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0039062 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0039062 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0039062 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0039062 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0039062 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0039062 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0039062 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0039062 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0039062 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0039062 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0039062 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0039062 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0039062 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0039062 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0039062 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0039062 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0039062 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0039062 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039062 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039062 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039062 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039062 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039062 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0039062 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0039062 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0039062 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0039062 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0039062 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0039062 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0039062 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0039062 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0039062 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039062 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039062 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0039062 k( 71) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0039062 k( 72) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0039062 k( 73) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0039062 k( 74) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0039062 k( 75) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0039062 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0039062 k( 77) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0039062 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0039062 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0039062 k( 80) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0039062 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0039062 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0039062 k( 83) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0039062 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0039062 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0039062 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0039062 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0039062 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0039062 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0039062 k( 90) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0039062 k( 91) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0039062 k( 92) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0039062 k( 93) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0039062 k( 94) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0039062 k( 95) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0039062 k( 96) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0039062 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0039062 k( 98) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0039062 k( 99) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0039062 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0039062 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0039062 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0039062 k( 103) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0039062 k( 104) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0039062 k( 105) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0039062 k( 106) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0039062 k( 107) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0039062 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0039062 k( 109) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0039062 k( 110) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0039062 k( 111) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0039062 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0039062 k( 113) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0039062 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0039062 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0039062 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 118) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039062 k( 119) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039062 k( 120) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039062 k( 121) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039062 k( 122) = ( 0.0438597 0.0438596 0.0438596), wk = 0.0039062 k( 123) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039062 k( 124) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039062 k( 125) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039062 k( 126) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039062 k( 127) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039062 k( 128) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039062 k( 129) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039062 k( 130) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039062 k( 131) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039062 k( 132) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0039062 k( 133) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039062 k( 134) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039062 k( 135) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039062 k( 136) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039062 k( 137) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039062 k( 138) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039062 k( 139) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039062 k( 140) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039062 k( 141) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039062 k( 142) = ( 0.2192983 0.2192982 0.2192982), wk = 0.0039062 k( 143) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039062 k( 144) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039062 k( 145) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039062 k( 146) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039062 k( 147) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039062 k( 148) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039062 k( 149) = ( 0.2807018 0.2807017 0.2807017), wk = 0.0039062 k( 150) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039062 k( 151) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039062 k( 152) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039062 k( 153) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039062 k( 154) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039062 k( 155) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039062 k( 156) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039062 k( 157) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039062 k( 158) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039062 k( 159) = ( 0.3684211 0.3684210 0.3684210), wk = 0.0039062 k( 160) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039062 k( 161) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039062 k( 162) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039062 k( 163) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039062 k( 164) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039062 k( 165) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039062 k( 166) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039062 k( 167) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039062 k( 168) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039062 k( 169) = ( 0.4561404 0.4561403 0.4561403), wk = 0.0039062 k( 170) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039062 k( 171) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039062 k( 172) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039062 k( 173) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039062 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 176) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0039062 k( 177) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0039062 k( 178) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0039062 k( 179) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0039062 k( 180) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0039062 k( 181) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0039062 k( 182) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0039062 k( 183) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0039062 k( 184) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0039062 k( 185) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0039062 k( 186) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0039062 k( 187) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0039062 k( 188) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0039062 k( 189) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0039062 k( 190) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0039062 k( 191) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0039062 k( 192) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0039062 k( 193) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0039062 k( 194) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0039062 k( 195) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0039062 k( 196) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0039062 k( 197) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0039062 k( 198) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0039062 k( 199) = ( 0.2446809 0.5000000 0.2446808), wk = 0.0039062 k( 200) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0039062 k( 201) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0039062 k( 202) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0039062 k( 203) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0039062 k( 204) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0039062 k( 205) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0039062 k( 206) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0039062 k( 207) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0039062 k( 208) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0039062 k( 209) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0039062 k( 210) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0039062 k( 211) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0039062 k( 212) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0039062 k( 213) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0039062 k( 214) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0039062 k( 215) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0039062 k( 216) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0039062 k( 217) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0039062 k( 218) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0039062 k( 219) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0039062 k( 220) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0039062 k( 221) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0039062 k( 222) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039062 k( 223) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039062 k( 224) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039062 k( 225) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039062 k( 226) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0039062 k( 227) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039062 k( 228) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039062 k( 229) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039062 k( 230) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039062 k( 231) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039062 k( 232) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039062 k( 233) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039062 k( 234) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039062 k( 235) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039062 k( 236) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039062 k( 237) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039062 k( 238) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039062 k( 239) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039062 k( 240) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039062 k( 241) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039062 k( 242) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039062 k( 243) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039062 k( 244) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039062 k( 245) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039062 k( 246) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0039062 k( 247) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039062 k( 248) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039062 k( 249) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039062 k( 250) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039062 k( 251) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039062 k( 252) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039062 k( 253) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0039062 k( 254) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039062 k( 255) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039062 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0039062 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0039062 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0039062 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0039062 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0039062 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0039062 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0039062 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0039062 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0039062 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0039062 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0039062 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0039062 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0039062 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0039062 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0039062 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0039062 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0039062 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0039062 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0039062 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0039062 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0039062 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0039062 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0039062 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0039062 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0039062 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0039062 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0039062 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0039062 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0039062 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0039062 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0039062 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0039062 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0039062 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0039062 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0039062 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0039062 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0039062 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0039062 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0039062 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0039062 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0039062 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0039062 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0039062 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0039062 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0039062 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0039062 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0039062 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0039062 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0039062 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0039062 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039062 k( 55) = ( 0.3030303 0.5000000 0.0000000), wk = 0.0039062 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039062 k( 57) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0039062 k( 58) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0039062 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0039062 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0039062 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0039062 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0039062 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0039062 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0039062 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0039062 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0039062 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0039062 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 70) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0039062 k( 71) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0039062 k( 72) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0039062 k( 73) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0039062 k( 74) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0039062 k( 75) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0039062 k( 76) = ( 0.4255319 0.4255319 0.0000000), wk = 0.0039062 k( 77) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0039062 k( 78) = ( 0.4042553 0.4042553 0.0000000), wk = 0.0039062 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0039062 k( 80) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0039062 k( 81) = ( 0.3723404 0.3723404 0.0000000), wk = 0.0039062 k( 82) = ( 0.3617021 0.3617021 0.0000000), wk = 0.0039062 k( 83) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0039062 k( 84) = ( 0.3404255 0.3404255 0.0000000), wk = 0.0039062 k( 85) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0039062 k( 86) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0039062 k( 87) = ( 0.3085106 0.3085106 0.0000000), wk = 0.0039062 k( 88) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0039062 k( 89) = ( 0.2872340 0.2872340 0.0000000), wk = 0.0039062 k( 90) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0039062 k( 91) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0039062 k( 92) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0039062 k( 93) = ( 0.2446809 0.2446809 0.0000000), wk = 0.0039062 k( 94) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0039062 k( 95) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0039062 k( 96) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0039062 k( 97) = ( 0.2021277 0.2021277 0.0000000), wk = 0.0039062 k( 98) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0039062 k( 99) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0039062 k( 100) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0039062 k( 101) = ( 0.1595745 0.1595745 0.0000000), wk = 0.0039062 k( 102) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0039062 k( 103) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0039062 k( 104) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0039062 k( 105) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0039062 k( 106) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0039062 k( 107) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0039062 k( 108) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0039062 k( 109) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0039062 k( 110) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0039062 k( 111) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0039062 k( 112) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0039062 k( 113) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0039062 k( 114) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0039062 k( 115) = ( 0.0106383 0.0106383 0.0000000), wk = 0.0039062 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 118) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039062 k( 119) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039062 k( 120) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039062 k( 121) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039062 k( 122) = ( 0.0438597 0.0438597 0.0438597), wk = 0.0039062 k( 123) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039062 k( 124) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039062 k( 125) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039062 k( 126) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039062 k( 127) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039062 k( 128) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039062 k( 129) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039062 k( 130) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039062 k( 131) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039062 k( 132) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0039062 k( 133) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039062 k( 134) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039062 k( 135) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039062 k( 136) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039062 k( 137) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039062 k( 138) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039062 k( 139) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039062 k( 140) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039062 k( 141) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039062 k( 142) = ( 0.2192983 0.2192983 0.2192983), wk = 0.0039062 k( 143) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039062 k( 144) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039062 k( 145) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039062 k( 146) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039062 k( 147) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039062 k( 148) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039062 k( 149) = ( 0.2807018 0.2807018 0.2807018), wk = 0.0039062 k( 150) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039062 k( 151) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039062 k( 152) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039062 k( 153) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039062 k( 154) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039062 k( 155) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039062 k( 156) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039062 k( 157) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039062 k( 158) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039062 k( 159) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0039062 k( 160) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039062 k( 161) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039062 k( 162) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039062 k( 163) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039062 k( 164) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039062 k( 165) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039062 k( 166) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039062 k( 167) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039062 k( 168) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039062 k( 169) = ( 0.4561404 0.4561404 0.4561404), wk = 0.0039062 k( 170) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039062 k( 171) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039062 k( 172) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039062 k( 173) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039062 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 176) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0039062 k( 177) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0039062 k( 178) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0039062 k( 179) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0039062 k( 180) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0039062 k( 181) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0039062 k( 182) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0039062 k( 183) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0039062 k( 184) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0039062 k( 185) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0039062 k( 186) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0039062 k( 187) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0039062 k( 188) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0039062 k( 189) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0039062 k( 190) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0039062 k( 191) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0039062 k( 192) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0039062 k( 193) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0039062 k( 194) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0039062 k( 195) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0039062 k( 196) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0039062 k( 197) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0039062 k( 198) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0039062 k( 199) = ( 0.2446809 0.5000000 0.2446809), wk = 0.0039062 k( 200) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0039062 k( 201) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0039062 k( 202) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0039062 k( 203) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0039062 k( 204) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0039062 k( 205) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0039062 k( 206) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0039062 k( 207) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0039062 k( 208) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0039062 k( 209) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0039062 k( 210) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0039062 k( 211) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0039062 k( 212) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0039062 k( 213) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0039062 k( 214) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0039062 k( 215) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0039062 k( 216) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0039062 k( 217) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0039062 k( 218) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0039062 k( 219) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0039062 k( 220) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0039062 k( 221) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0039062 k( 222) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 223) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 224) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039062 k( 225) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039062 k( 226) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0039062 k( 227) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039062 k( 228) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039062 k( 229) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039062 k( 230) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039062 k( 231) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039062 k( 232) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039062 k( 233) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039062 k( 234) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039062 k( 235) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039062 k( 236) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039062 k( 237) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039062 k( 238) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039062 k( 239) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039062 k( 240) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039062 k( 241) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039062 k( 242) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039062 k( 243) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039062 k( 244) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039062 k( 245) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039062 k( 246) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0039062 k( 247) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039062 k( 248) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039062 k( 249) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039062 k( 250) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039062 k( 251) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039062 k( 252) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039062 k( 253) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0039062 k( 254) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039062 k( 255) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039062 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 Dense grid: 52635 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 24837 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 182, 44) NL pseudopotentials 0.19 Mb ( 91, 136) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1463) G-vector shells 0.00 Mb ( 350) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 182, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Y3Al.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.2 secs Computing kpt #: 10 total cpu time spent up to now is 4.5 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.8 secs Computing kpt #: 16 total cpu time spent up to now is 6.1 secs Computing kpt #: 17 total cpu time spent up to now is 6.3 secs Computing kpt #: 18 total cpu time spent up to now is 6.6 secs Computing kpt #: 19 total cpu time spent up to now is 6.9 secs Computing kpt #: 20 total cpu time spent up to now is 7.1 secs Computing kpt #: 21 total cpu time spent up to now is 7.4 secs Computing kpt #: 22 total cpu time spent up to now is 7.7 secs Computing kpt #: 23 total cpu time spent up to now is 8.0 secs Computing kpt #: 24 total cpu time spent up to now is 8.3 secs Computing kpt #: 25 total cpu time spent up to now is 8.5 secs Computing kpt #: 26 total cpu time spent up to now is 8.8 secs Computing kpt #: 27 total cpu time spent up to now is 9.1 secs Computing kpt #: 28 total cpu time spent up to now is 9.4 secs Computing kpt #: 29 total cpu time spent up to now is 9.7 secs Computing kpt #: 30 total cpu time spent up to now is 10.1 secs Computing kpt #: 31 total cpu time spent up to now is 10.5 secs Computing kpt #: 32 total cpu time spent up to now is 10.8 secs Computing kpt #: 33 total cpu time spent up to now is 11.1 secs Computing kpt #: 34 total cpu time spent up to now is 11.4 secs Computing kpt #: 35 total cpu time spent up to now is 11.7 secs Computing kpt #: 36 total cpu time spent up to now is 12.4 secs Computing kpt #: 37 total cpu time spent up to now is 13.2 secs Computing kpt #: 38 total cpu time spent up to now is 13.9 secs Computing kpt #: 39 total cpu time spent up to now is 14.6 secs Computing kpt #: 40 total cpu time spent up to now is 15.2 secs Computing kpt #: 41 total cpu time spent up to now is 15.7 secs Computing kpt #: 42 total cpu time spent up to now is 16.2 secs Computing kpt #: 43 total cpu time spent up to now is 16.6 secs Computing kpt #: 44 total cpu time spent up to now is 17.0 secs Computing kpt #: 45 total cpu time spent up to now is 17.4 secs Computing kpt #: 46 total cpu time spent up to now is 17.8 secs Computing kpt #: 47 total cpu time spent up to now is 18.2 secs Computing kpt #: 48 total cpu time spent up to now is 18.5 secs Computing kpt #: 49 total cpu time spent up to now is 18.8 secs Computing kpt #: 50 total cpu time spent up to now is 19.2 secs Computing kpt #: 51 total cpu time spent up to now is 19.5 secs Computing kpt #: 52 total cpu time spent up to now is 19.8 secs Computing kpt #: 53 total cpu time spent up to now is 20.1 secs Computing kpt #: 54 total cpu time spent up to now is 20.4 secs Computing kpt #: 55 total cpu time spent up to now is 20.7 secs Computing kpt #: 56 total cpu time spent up to now is 21.0 secs Computing kpt #: 57 total cpu time spent up to now is 21.3 secs Computing kpt #: 58 total cpu time spent up to now is 21.6 secs Computing kpt #: 59 total cpu time spent up to now is 21.9 secs Computing kpt #: 60 total cpu time spent up to now is 22.1 secs Computing kpt #: 61 total cpu time spent up to now is 22.4 secs Computing kpt #: 62 total cpu time spent up to now is 22.7 secs Computing kpt #: 63 total cpu time spent up to now is 23.0 secs Computing kpt #: 64 total cpu time spent up to now is 23.3 secs Computing kpt #: 65 total cpu time spent up to now is 23.6 secs Computing kpt #: 66 total cpu time spent up to now is 23.8 secs Computing kpt #: 67 total cpu time spent up to now is 24.1 secs Computing kpt #: 68 total cpu time spent up to now is 24.4 secs Computing kpt #: 69 total cpu time spent up to now is 24.7 secs Computing kpt #: 70 total cpu time spent up to now is 25.0 secs Computing kpt #: 71 total cpu time spent up to now is 25.3 secs Computing kpt #: 72 total cpu time spent up to now is 25.6 secs Computing kpt #: 73 total cpu time spent up to now is 25.8 secs Computing kpt #: 74 total cpu time spent up to now is 26.1 secs Computing kpt #: 75 total cpu time spent up to now is 26.4 secs Computing kpt #: 76 total cpu time spent up to now is 26.7 secs Computing kpt #: 77 total cpu time spent up to now is 27.0 secs Computing kpt #: 78 total cpu time spent up to now is 27.3 secs Computing kpt #: 79 total cpu time spent up to now is 27.7 secs Computing kpt #: 80 total cpu time spent up to now is 28.0 secs Computing kpt #: 81 total cpu time spent up to now is 28.5 secs Computing kpt #: 82 total cpu time spent up to now is 28.8 secs Computing kpt #: 83 total cpu time spent up to now is 29.1 secs Computing kpt #: 84 total cpu time spent up to now is 29.4 secs Computing kpt #: 85 total cpu time spent up to now is 29.7 secs Computing kpt #: 86 total cpu time spent up to now is 30.0 secs Computing kpt #: 87 total cpu time spent up to now is 30.3 secs Computing kpt #: 88 total cpu time spent up to now is 30.6 secs Computing kpt #: 89 total cpu time spent up to now is 30.8 secs Computing kpt #: 90 total cpu time spent up to now is 31.1 secs Computing kpt #: 91 total cpu time spent up to now is 31.4 secs Computing kpt #: 92 total cpu time spent up to now is 31.7 secs Computing kpt #: 93 total cpu time spent up to now is 31.9 secs Computing kpt #: 94 total cpu time spent up to now is 32.2 secs Computing kpt #: 95 total cpu time spent up to now is 32.5 secs Computing kpt #: 96 total cpu time spent up to now is 32.7 secs Computing kpt #: 97 total cpu time spent up to now is 33.0 secs Computing kpt #: 98 total cpu time spent up to now is 33.3 secs Computing kpt #: 99 total cpu time spent up to now is 33.6 secs Computing kpt #: 100 total cpu time spent up to now is 33.8 secs Computing kpt #: 101 total cpu time spent up to now is 34.1 secs Computing kpt #: 102 total cpu time spent up to now is 34.4 secs Computing kpt #: 103 total cpu time spent up to now is 34.8 secs Computing kpt #: 104 total cpu time spent up to now is 35.1 secs Computing kpt #: 105 total cpu time spent up to now is 35.4 secs Computing kpt #: 106 total cpu time spent up to now is 35.7 secs Computing kpt #: 107 total cpu time spent up to now is 36.0 secs Computing kpt #: 108 total cpu time spent up to now is 36.3 secs Computing kpt #: 109 total cpu time spent up to now is 36.6 secs Computing kpt #: 110 total cpu time spent up to now is 36.8 secs Computing kpt #: 111 total cpu time spent up to now is 37.1 secs Computing kpt #: 112 total cpu time spent up to now is 37.4 secs Computing kpt #: 113 total cpu time spent up to now is 37.6 secs Computing kpt #: 114 total cpu time spent up to now is 37.9 secs Computing kpt #: 115 total cpu time spent up to now is 38.1 secs Computing kpt #: 116 total cpu time spent up to now is 38.4 secs Computing kpt #: 117 total cpu time spent up to now is 38.6 secs Computing kpt #: 118 total cpu time spent up to now is 38.9 secs Computing kpt #: 119 total cpu time spent up to now is 39.1 secs Computing kpt #: 120 total cpu time spent up to now is 39.4 secs Computing kpt #: 121 total cpu time spent up to now is 39.7 secs Computing kpt #: 122 total cpu time spent up to now is 39.9 secs Computing kpt #: 123 total cpu time spent up to now is 40.2 secs Computing kpt #: 124 total cpu time spent up to now is 40.5 secs Computing kpt #: 125 total cpu time spent up to now is 40.7 secs Computing kpt #: 126 total cpu time spent up to now is 41.0 secs Computing kpt #: 127 total cpu time spent up to now is 41.3 secs Computing kpt #: 128 total cpu time spent up to now is 41.5 secs Computing kpt #: 129 total cpu time spent up to now is 41.8 secs Computing kpt #: 130 total cpu time spent up to now is 42.1 secs Computing kpt #: 131 total cpu time spent up to now is 42.4 secs Computing kpt #: 132 total cpu time spent up to now is 42.6 secs Computing kpt #: 133 total cpu time spent up to now is 42.9 secs Computing kpt #: 134 total cpu time spent up to now is 43.2 secs Computing kpt #: 135 total cpu time spent up to now is 43.4 secs Computing kpt #: 136 total cpu time spent up to now is 43.7 secs Computing kpt #: 137 total cpu time spent up to now is 44.0 secs Computing kpt #: 138 total cpu time spent up to now is 44.2 secs Computing kpt #: 139 total cpu time spent up to now is 44.5 secs Computing kpt #: 140 total cpu time spent up to now is 44.8 secs Computing kpt #: 141 total cpu time spent up to now is 45.0 secs Computing kpt #: 142 total cpu time spent up to now is 45.3 secs Computing kpt #: 143 total cpu time spent up to now is 45.5 secs Computing kpt #: 144 total cpu time spent up to now is 45.8 secs Computing kpt #: 145 total cpu time spent up to now is 46.1 secs Computing kpt #: 146 total cpu time spent up to now is 46.4 secs Computing kpt #: 147 total cpu time spent up to now is 46.6 secs Computing kpt #: 148 total cpu time spent up to now is 46.9 secs Computing kpt #: 149 total cpu time spent up to now is 47.2 secs Computing kpt #: 150 total cpu time spent up to now is 47.4 secs Computing kpt #: 151 total cpu time spent up to now is 47.7 secs Computing kpt #: 152 total cpu time spent up to now is 48.0 secs Computing kpt #: 153 total cpu time spent up to now is 48.3 secs Computing kpt #: 154 total cpu time spent up to now is 48.5 secs Computing kpt #: 155 total cpu time spent up to now is 48.8 secs Computing kpt #: 156 total cpu time spent up to now is 49.1 secs Computing kpt #: 157 total cpu time spent up to now is 49.4 secs Computing kpt #: 158 total cpu time spent up to now is 49.7 secs Computing kpt #: 159 total cpu time spent up to now is 50.0 secs Computing kpt #: 160 total cpu time spent up to now is 50.2 secs Computing kpt #: 161 total cpu time spent up to now is 50.5 secs Computing kpt #: 162 total cpu time spent up to now is 50.8 secs Computing kpt #: 163 total cpu time spent up to now is 51.1 secs Computing kpt #: 164 total cpu time spent up to now is 51.4 secs Computing kpt #: 165 total cpu time spent up to now is 51.7 secs Computing kpt #: 166 total cpu time spent up to now is 52.0 secs Computing kpt #: 167 total cpu time spent up to now is 52.4 secs Computing kpt #: 168 total cpu time spent up to now is 52.8 secs Computing kpt #: 169 total cpu time spent up to now is 53.1 secs Computing kpt #: 170 total cpu time spent up to now is 53.5 secs Computing kpt #: 171 total cpu time spent up to now is 53.9 secs Computing kpt #: 172 total cpu time spent up to now is 54.3 secs Computing kpt #: 173 total cpu time spent up to now is 54.6 secs Computing kpt #: 174 total cpu time spent up to now is 55.0 secs Computing kpt #: 175 total cpu time spent up to now is 55.4 secs Computing kpt #: 176 total cpu time spent up to now is 55.7 secs Computing kpt #: 177 total cpu time spent up to now is 56.1 secs Computing kpt #: 178 total cpu time spent up to now is 56.5 secs Computing kpt #: 179 total cpu time spent up to now is 56.9 secs Computing kpt #: 180 total cpu time spent up to now is 57.3 secs Computing kpt #: 181 total cpu time spent up to now is 57.6 secs Computing kpt #: 182 total cpu time spent up to now is 57.9 secs Computing kpt #: 183 total cpu time spent up to now is 58.3 secs Computing kpt #: 184 total cpu time spent up to now is 58.6 secs Computing kpt #: 185 total cpu time spent up to now is 58.9 secs Computing kpt #: 186 total cpu time spent up to now is 59.2 secs Computing kpt #: 187 total cpu time spent up to now is 59.5 secs Computing kpt #: 188 total cpu time spent up to now is 59.8 secs Computing kpt #: 189 total cpu time spent up to now is 60.0 secs Computing kpt #: 190 total cpu time spent up to now is 60.3 secs Computing kpt #: 191 total cpu time spent up to now is 60.6 secs Computing kpt #: 192 total cpu time spent up to now is 60.9 secs Computing kpt #: 193 total cpu time spent up to now is 61.2 secs Computing kpt #: 194 total cpu time spent up to now is 61.4 secs Computing kpt #: 195 total cpu time spent up to now is 61.7 secs Computing kpt #: 196 total cpu time spent up to now is 62.0 secs Computing kpt #: 197 total cpu time spent up to now is 62.3 secs Computing kpt #: 198 total cpu time spent up to now is 62.5 secs Computing kpt #: 199 total cpu time spent up to now is 62.8 secs Computing kpt #: 200 total cpu time spent up to now is 63.1 secs Computing kpt #: 201 total cpu time spent up to now is 63.4 secs Computing kpt #: 202 total cpu time spent up to now is 63.7 secs Computing kpt #: 203 total cpu time spent up to now is 64.0 secs Computing kpt #: 204 total cpu time spent up to now is 64.2 secs Computing kpt #: 205 total cpu time spent up to now is 64.5 secs Computing kpt #: 206 total cpu time spent up to now is 64.8 secs Computing kpt #: 207 total cpu time spent up to now is 65.1 secs Computing kpt #: 208 total cpu time spent up to now is 65.4 secs Computing kpt #: 209 total cpu time spent up to now is 65.7 secs Computing kpt #: 210 total cpu time spent up to now is 66.0 secs Computing kpt #: 211 total cpu time spent up to now is 66.3 secs Computing kpt #: 212 total cpu time spent up to now is 66.6 secs Computing kpt #: 213 total cpu time spent up to now is 66.9 secs Computing kpt #: 214 total cpu time spent up to now is 67.2 secs Computing kpt #: 215 total cpu time spent up to now is 67.6 secs Computing kpt #: 216 total cpu time spent up to now is 68.0 secs Computing kpt #: 217 total cpu time spent up to now is 68.5 secs Computing kpt #: 218 total cpu time spent up to now is 69.0 secs Computing kpt #: 219 total cpu time spent up to now is 69.9 secs Computing kpt #: 220 total cpu time spent up to now is 70.9 secs Computing kpt #: 221 total cpu time spent up to now is 71.7 secs Computing kpt #: 222 total cpu time spent up to now is 72.0 secs Computing kpt #: 223 total cpu time spent up to now is 72.2 secs Computing kpt #: 224 total cpu time spent up to now is 72.5 secs Computing kpt #: 225 total cpu time spent up to now is 72.8 secs Computing kpt #: 226 total cpu time spent up to now is 73.1 secs Computing kpt #: 227 total cpu time spent up to now is 73.4 secs Computing kpt #: 228 total cpu time spent up to now is 73.7 secs Computing kpt #: 229 total cpu time spent up to now is 74.0 secs Computing kpt #: 230 total cpu time spent up to now is 74.2 secs Computing kpt #: 231 total cpu time spent up to now is 74.5 secs Computing kpt #: 232 total cpu time spent up to now is 74.8 secs Computing kpt #: 233 total cpu time spent up to now is 75.2 secs Computing kpt #: 234 total cpu time spent up to now is 75.5 secs Computing kpt #: 235 total cpu time spent up to now is 75.8 secs Computing kpt #: 236 total cpu time spent up to now is 76.1 secs Computing kpt #: 237 total cpu time spent up to now is 76.4 secs Computing kpt #: 238 total cpu time spent up to now is 76.7 secs Computing kpt #: 239 total cpu time spent up to now is 77.0 secs Computing kpt #: 240 total cpu time spent up to now is 77.2 secs Computing kpt #: 241 total cpu time spent up to now is 77.5 secs Computing kpt #: 242 total cpu time spent up to now is 77.8 secs Computing kpt #: 243 total cpu time spent up to now is 78.1 secs Computing kpt #: 244 total cpu time spent up to now is 78.4 secs Computing kpt #: 245 total cpu time spent up to now is 78.7 secs Computing kpt #: 246 total cpu time spent up to now is 79.0 secs Computing kpt #: 247 total cpu time spent up to now is 79.4 secs Computing kpt #: 248 total cpu time spent up to now is 79.7 secs Computing kpt #: 249 total cpu time spent up to now is 80.1 secs Computing kpt #: 250 total cpu time spent up to now is 80.4 secs Computing kpt #: 251 total cpu time spent up to now is 80.8 secs Computing kpt #: 252 total cpu time spent up to now is 81.2 secs Computing kpt #: 253 total cpu time spent up to now is 81.5 secs Computing kpt #: 254 total cpu time spent up to now is 81.9 secs Computing kpt #: 255 total cpu time spent up to now is 82.3 secs Computing kpt #: 256 total cpu time spent up to now is 82.7 secs ethr = 2.78E-08, avg # of iterations = 18.1 total cpu time spent up to now is 82.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3071 PWs) bands (ev): -33.0957 -33.0957 -32.9740 -32.9740 -32.9740 -32.9740 -14.1641 -14.1641 -14.1641 -14.1641 -13.8238 -13.8238 -12.9021 -12.9021 -12.7179 -12.7179 -12.7179 -12.7179 -12.5319 -12.5319 -12.3189 -12.3189 -12.3189 -12.3189 3.3342 3.3342 6.7651 6.7651 8.4769 8.4769 8.4769 8.4769 8.9744 8.9744 8.9794 8.9794 8.9794 8.9794 10.2242 10.2242 10.2242 10.2242 10.2457 10.2457 k = 0.0000 0.0152-0.0000 ( 3079 PWs) bands (ev): -33.0956 -33.0956 -32.9741 -32.9741 -32.9741 -32.9741 -14.1641 -14.1641 -14.1639 -14.1639 -13.8239 -13.8239 -12.9019 -12.9019 -12.7179 -12.7179 -12.7178 -12.7178 -12.5319 -12.5319 -12.3192 -12.3192 -12.3190 -12.3190 3.3360 3.3360 6.7664 6.7664 8.4730 8.4730 8.4790 8.4790 8.9744 8.9744 8.9790 8.9790 8.9800 8.9800 10.2239 10.2239 10.2244 10.2244 10.2457 10.2457 k = 0.0000 0.0303-0.0000 ( 3087 PWs) bands (ev): -33.0955 -33.0955 -32.9743 -32.9743 -32.9741 -32.9741 -14.1640 -14.1640 -14.1633 -14.1633 -13.8244 -13.8244 -12.9013 -12.9013 -12.7179 -12.7179 -12.7174 -12.7174 -12.5321 -12.5321 -12.3202 -12.3202 -12.3194 -12.3194 3.3412 3.3412 6.7703 6.7703 8.4612 8.4612 8.4853 8.4853 8.9741 8.9741 8.9777 8.9777 8.9821 8.9821 10.2232 10.2232 10.2253 10.2253 10.2460 10.2460 k = 0.0000 0.0455-0.0000 ( 3087 PWs) bands (ev): -33.0952 -33.0952 -32.9746 -32.9746 -32.9741 -32.9741 -14.1639 -14.1639 -14.1624 -14.1624 -13.8251 -13.8251 -12.9004 -12.9004 -12.7178 -12.7178 -12.7169 -12.7169 -12.5324 -12.5324 -12.3219 -12.3219 -12.3200 -12.3200 3.3500 3.3500 6.7768 6.7768 8.4418 8.4418 8.4957 8.4957 8.9729 8.9729 8.9756 8.9756 8.9861 8.9861 10.2221 10.2221 10.2266 10.2266 10.2467 10.2467 k = 0.0000 0.0606-0.0000 ( 3082 PWs) bands (ev): -33.0947 -33.0947 -32.9750 -32.9750 -32.9741 -32.9741 -14.1637 -14.1637 -14.1611 -14.1611 -13.8262 -13.8262 -12.8991 -12.8991 -12.7178 -12.7178 -12.7161 -12.7161 -12.5328 -12.5328 -12.3243 -12.3243 -12.3209 -12.3209 3.3623 3.3623 6.7857 6.7857 8.4150 8.4150 8.5104 8.5104 8.9709 8.9709 8.9726 8.9726 8.9920 8.9920 10.2208 10.2208 10.2285 10.2285 10.2486 10.2486 k = 0.0000 0.0758-0.0000 ( 3074 PWs) bands (ev): -33.0942 -33.0942 -32.9756 -32.9756 -32.9740 -32.9740 -14.1635 -14.1635 -14.1595 -14.1595 -13.8276 -13.8276 -12.8975 -12.8975 -12.7177 -12.7177 -12.7151 -12.7151 -12.5333 -12.5333 -12.3274 -12.3274 -12.3221 -12.3221 3.3781 3.3781 6.7969 6.7969 8.3812 8.3812 8.5291 8.5291 8.9682 8.9682 8.9686 8.9686 8.9998 8.9998 10.2196 10.2196 10.2306 10.2306 10.2523 10.2523 k = 0.0000 0.0909-0.0000 ( 3082 PWs) bands (ev): -33.0936 -33.0936 -32.9762 -32.9762 -32.9740 -32.9740 -14.1632 -14.1632 -14.1575 -14.1575 -13.8293 -13.8293 -12.8955 -12.8955 -12.7176 -12.7176 -12.7139 -12.7139 -12.5340 -12.5340 -12.3311 -12.3311 -12.3234 -12.3234 3.3973 3.3973 6.8101 6.8101 8.3409 8.3409 8.5519 8.5519 8.9638 8.9638 8.9647 8.9647 9.0093 9.0093 10.2187 10.2187 10.2329 10.2329 10.2588 10.2588 k = 0.0000 0.1061-0.0000 ( 3082 PWs) bands (ev): -33.0928 -33.0928 -32.9770 -32.9770 -32.9740 -32.9740 -14.1629 -14.1629 -14.1551 -14.1551 -13.8313 -13.8313 -12.8933 -12.8933 -12.7174 -12.7174 -12.7124 -12.7124 -12.5348 -12.5348 -12.3354 -12.3354 -12.3250 -12.3250 3.4199 3.4199 6.8250 6.8250 8.2947 8.2947 8.5787 8.5787 8.9579 8.9579 8.9604 8.9604 9.0204 9.0204 10.2185 10.2185 10.2354 10.2354 10.2685 10.2685 k = 0.0000 0.1212-0.0000 ( 3070 PWs) bands (ev): -33.0919 -33.0919 -32.9779 -32.9779 -32.9739 -32.9739 -14.1625 -14.1625 -14.1524 -14.1524 -13.8336 -13.8336 -12.8906 -12.8906 -12.7171 -12.7171 -12.7108 -12.7108 -12.5357 -12.5357 -12.3404 -12.3404 -12.3268 -12.3268 3.4458 3.4458 6.8411 6.8411 8.2434 8.2434 8.6095 8.6095 8.9511 8.9511 8.9552 8.9552 9.0332 9.0332 10.2193 10.2193 10.2386 10.2386 10.2817 10.2817 k = 0.0000 0.1364-0.0000 ( 3078 PWs) bands (ev): -33.0910 -33.0910 -32.9789 -32.9789 -32.9739 -32.9739 -14.1622 -14.1622 -14.1494 -14.1494 -13.8361 -13.8361 -12.8878 -12.8878 -12.7168 -12.7168 -12.7089 -12.7089 -12.5367 -12.5367 -12.3460 -12.3460 -12.3288 -12.3288 3.4750 3.4750 6.8579 6.8579 8.1882 8.1882 8.6441 8.6441 8.9434 8.9434 8.9492 8.9492 9.0476 9.0476 10.2213 10.2213 10.2429 10.2429 10.2985 10.2985 k = 0.0000 0.1515-0.0000 ( 3074 PWs) bands (ev): -33.0899 -33.0899 -32.9799 -32.9799 -32.9739 -32.9739 -14.1617 -14.1617 -14.1460 -14.1460 -13.8390 -13.8390 -12.8846 -12.8846 -12.7163 -12.7163 -12.7068 -12.7068 -12.5379 -12.5379 -12.3521 -12.3521 -12.3310 -12.3310 3.5075 3.5075 6.8747 6.8747 8.1302 8.1302 8.6825 8.6825 8.9347 8.9347 8.9424 8.9424 9.0634 9.0634 10.2249 10.2249 10.2487 10.2487 10.3189 10.3189 k = 0.0000 0.1667-0.0000 ( 3074 PWs) bands (ev): -33.0887 -33.0887 -32.9812 -32.9812 -32.9739 -32.9739 -14.1613 -14.1613 -14.1423 -14.1423 -13.8422 -13.8422 -12.8812 -12.8812 -12.7157 -12.7157 -12.7046 -12.7046 -12.5392 -12.5392 -12.3588 -12.3588 -12.3333 -12.3333 3.5430 3.5430 6.8904 6.8904 8.0709 8.0709 8.7245 8.7245 8.9251 8.9251 8.9347 8.9347 9.0808 9.0808 10.2303 10.2303 10.2562 10.2562 10.3431 10.3431 k = 0.0000 0.1818-0.0000 ( 3078 PWs) bands (ev): -33.0874 -33.0874 -32.9825 -32.9825 -32.9738 -32.9738 -14.1608 -14.1608 -14.1383 -14.1383 -13.8456 -13.8456 -12.8776 -12.8776 -12.7149 -12.7149 -12.7021 -12.7021 -12.5406 -12.5406 -12.3661 -12.3661 -12.3358 -12.3358 3.5816 3.5816 6.9038 6.9038 8.0121 8.0121 8.7701 8.7701 8.9146 8.9146 8.9262 8.9262 9.0995 9.0995 10.2376 10.2376 10.2658 10.2658 10.3710 10.3710 k = 0.0000 0.1970-0.0000 ( 3086 PWs) bands (ev): -33.0860 -33.0860 -32.9839 -32.9839 -32.9738 -32.9738 -14.1603 -14.1603 -14.1340 -14.1340 -13.8493 -13.8493 -12.8738 -12.8738 -12.7139 -12.7139 -12.6994 -12.6994 -12.5422 -12.5422 -12.3739 -12.3739 -12.3384 -12.3384 3.6232 3.6232 6.9133 6.9133 7.9559 7.9559 8.8189 8.8189 8.9033 8.9033 8.9170 8.9170 9.1195 9.1195 10.2471 10.2471 10.2775 10.2775 10.4027 10.4027 k = 0.0000 0.2121-0.0000 ( 3086 PWs) bands (ev): -33.0845 -33.0845 -32.9854 -32.9854 -32.9738 -32.9738 -14.1598 -14.1598 -14.1294 -14.1294 -13.8533 -13.8533 -12.8699 -12.8699 -12.7126 -12.7126 -12.6965 -12.6965 -12.5439 -12.5439 -12.3821 -12.3821 -12.3410 -12.3410 3.6675 3.6675 6.9171 6.9171 7.9046 7.9046 8.8708 8.8708 8.8914 8.8914 8.9072 8.9072 9.1408 9.1408 10.2588 10.2588 10.2914 10.2914 10.4380 10.4380 k = 0.0000 0.2273-0.0000 ( 3090 PWs) bands (ev): -33.0830 -33.0830 -32.9870 -32.9870 -32.9738 -32.9738 -14.1593 -14.1593 -14.1246 -14.1246 -13.8575 -13.8575 -12.8659 -12.8659 -12.7110 -12.7110 -12.6934 -12.6934 -12.5458 -12.5458 -12.3909 -12.3909 -12.3438 -12.3438 3.7146 3.7146 6.9129 6.9129 7.8607 7.8607 8.8789 8.8789 8.8958 8.8958 8.9267 8.9267 9.1631 9.1631 10.2728 10.2728 10.3075 10.3075 10.4768 10.4768 k = 0.0000 0.2424-0.0000 ( 3094 PWs) bands (ev): -33.0813 -33.0813 -32.9887 -32.9887 -32.9738 -32.9738 -14.1588 -14.1588 -14.1196 -14.1196 -13.8620 -13.8620 -12.8618 -12.8618 -12.7091 -12.7091 -12.6902 -12.6902 -12.5479 -12.5479 -12.4000 -12.4000 -12.3466 -12.3466 3.7642 3.7642 6.8987 6.8987 7.8266 7.8266 8.8661 8.8661 8.8850 8.8850 8.9842 8.9842 9.1864 9.1864 10.2890 10.2890 10.3259 10.3259 10.5190 10.5190 k = 0.0000 0.2576-0.0000 ( 3094 PWs) bands (ev): -33.0795 -33.0795 -32.9904 -32.9904 -32.9738 -32.9738 -14.1582 -14.1582 -14.1143 -14.1143 -13.8667 -13.8667 -12.8578 -12.8578 -12.7068 -12.7068 -12.6868 -12.6868 -12.5501 -12.5501 -12.4095 -12.4095 -12.3494 -12.3494 3.8161 3.8161 6.8733 6.8733 7.8041 7.8041 8.8529 8.8529 8.8735 8.8735 9.0444 9.0444 9.2106 9.2106 10.3074 10.3074 10.3464 10.3464 10.5644 10.5644 k = 0.0000 0.2727-0.0000 ( 3090 PWs) bands (ev): -33.0777 -33.0777 -32.9922 -32.9922 -32.9738 -32.9738 -14.1577 -14.1577 -14.1088 -14.1088 -13.8715 -13.8715 -12.8538 -12.8538 -12.7040 -12.7040 -12.6832 -12.6832 -12.5524 -12.5524 -12.4194 -12.4194 -12.3522 -12.3522 3.8702 3.8702 6.8361 6.8361 7.7939 7.7939 8.8396 8.8396 8.8618 8.8618 9.1068 9.1068 9.2354 9.2354 10.3278 10.3278 10.3689 10.3689 10.6128 10.6128 k = 0.0000 0.2879-0.0000 ( 3098 PWs) bands (ev): -33.0760 -33.0760 -32.9941 -32.9941 -32.9738 -32.9738 -14.1572 -14.1572 -14.1031 -14.1031 -13.8766 -13.8766 -12.8499 -12.8499 -12.7008 -12.7008 -12.6795 -12.6795 -12.5550 -12.5550 -12.4296 -12.4296 -12.3550 -12.3550 3.9262 3.9262 6.7878 6.7878 7.7954 7.7954 8.8263 8.8263 8.8500 8.8500 9.1709 9.1709 9.2607 9.2607 10.3500 10.3500 10.3931 10.3931 10.6639 10.6639 k = 0.0000 0.3030-0.0000 ( 3098 PWs) bands (ev): -33.0741 -33.0741 -32.9959 -32.9959 -32.9737 -32.9737 -14.1567 -14.1567 -14.0973 -14.0973 -13.8819 -13.8819 -12.8462 -12.8462 -12.6971 -12.6971 -12.6756 -12.6756 -12.5576 -12.5576 -12.4400 -12.4400 -12.3577 -12.3577 3.9839 3.9839 6.7301 6.7301 7.8072 7.8072 8.8132 8.8132 8.8383 8.8383 9.2363 9.2363 9.2865 9.2865 10.3737 10.3737 10.4189 10.4189 10.7175 10.7175 k = 0.0000 0.3182-0.0000 ( 3098 PWs) bands (ev): -33.0722 -33.0722 -32.9979 -32.9979 -32.9737 -32.9737 -14.1562 -14.1562 -14.0914 -14.0914 -13.8872 -13.8872 -12.8427 -12.8427 -12.6928 -12.6928 -12.6717 -12.6717 -12.5605 -12.5605 -12.4507 -12.4507 -12.3603 -12.3603 4.0429 4.0429 6.6649 6.6649 7.8275 7.8275 8.8005 8.8005 8.8268 8.8268 9.3010 9.3010 9.3138 9.3138 10.3988 10.3988 10.4460 10.4460 10.7732 10.7732 k = 0.0000 0.3333-0.0000 ( 3098 PWs) bands (ev): -33.0702 -33.0702 -32.9998 -32.9998 -32.9737 -32.9737 -14.1557 -14.1557 -14.0854 -14.0854 -13.8927 -13.8927 -12.8395 -12.8395 -12.6880 -12.6880 -12.6676 -12.6676 -12.5635 -12.5635 -12.4616 -12.4616 -12.3628 -12.3628 4.1027 4.1027 6.5946 6.5946 7.8541 7.8541 8.7882 8.7882 8.8156 8.8156 9.3364 9.3364 9.3705 9.3705 10.4248 10.4248 10.4740 10.4740 10.8306 10.8306 k = 0.0000 0.3485-0.0000 ( 3098 PWs) bands (ev): -33.0683 -33.0683 -33.0017 -33.0017 -32.9737 -32.9737 -14.1553 -14.1553 -14.0793 -14.0793 -13.8983 -13.8983 -12.8365 -12.8365 -12.6826 -12.6826 -12.6634 -12.6634 -12.5666 -12.5666 -12.4726 -12.4726 -12.3652 -12.3652 4.1631 4.1631 6.5211 6.5211 7.8850 7.8850 8.7765 8.7765 8.8049 8.8049 9.3617 9.3617 9.4363 9.4363 10.4513 10.4513 10.5024 10.5024 10.8892 10.8892 k = 0.0000 0.3636-0.0000 ( 3110 PWs) bands (ev): -33.0664 -33.0664 -33.0037 -33.0037 -32.9737 -32.9737 -14.1549 -14.1549 -14.0733 -14.0733 -13.9038 -13.9038 -12.8338 -12.8338 -12.6766 -12.6766 -12.6592 -12.6592 -12.5699 -12.5699 -12.4837 -12.4837 -12.3674 -12.3674 4.2232 4.2232 6.4463 6.4463 7.9187 7.9187 8.7656 8.7656 8.7948 8.7948 9.3860 9.3860 9.5013 9.5013 10.4779 10.4779 10.5310 10.5310 10.9484 10.9484 k = 0.0000 0.3788-0.0000 ( 3094 PWs) bands (ev): -33.0645 -33.0645 -33.0055 -33.0055 -32.9736 -32.9736 -14.1545 -14.1545 -14.0674 -14.0674 -13.9093 -13.9093 -12.8314 -12.8314 -12.6701 -12.6701 -12.6550 -12.6550 -12.5732 -12.5732 -12.4948 -12.4948 -12.3694 -12.3694 4.2826 4.2826 6.3719 6.3719 7.9534 7.9534 8.7555 8.7555 8.7855 8.7855 9.4091 9.4091 9.5643 9.5643 10.5040 10.5040 10.5590 10.5590 11.0075 11.0075 k = 0.0000 0.3939-0.0000 ( 3094 PWs) bands (ev): -33.0627 -33.0627 -33.0073 -33.0073 -32.9736 -32.9736 -14.1541 -14.1541 -14.0617 -14.0617 -13.9147 -13.9147 -12.8294 -12.8294 -12.6632 -12.6632 -12.6507 -12.6507 -12.5767 -12.5767 -12.5059 -12.5059 -12.3713 -12.3713 4.3401 4.3401 6.2996 6.2996 7.9878 7.9878 8.7464 8.7464 8.7770 8.7770 9.4307 9.4307 9.6241 9.6241 10.5292 10.5292 10.5860 10.5860 11.0656 11.0656 k = 0.0000 0.4091-0.0000 ( 3090 PWs) bands (ev): -33.0610 -33.0610 -33.0090 -33.0090 -32.9736 -32.9736 -14.1538 -14.1538 -14.0562 -14.0562 -13.9198 -13.9198 -12.8276 -12.8276 -12.6558 -12.6558 -12.6466 -12.6466 -12.5801 -12.5801 -12.5168 -12.5168 -12.3729 -12.3729 4.3949 4.3949 6.2311 6.2311 8.0206 8.0206 8.7383 8.7383 8.7694 8.7694 9.4504 9.4504 9.6798 9.6798 10.5528 10.5528 10.6114 10.6114 11.1215 11.1215 k = 0.0000 0.4242-0.0000 ( 3090 PWs) bands (ev): -33.0595 -33.0595 -33.0106 -33.0106 -32.9736 -32.9736 -14.1536 -14.1536 -14.0511 -14.0511 -13.9246 -13.9246 -12.8261 -12.8261 -12.6482 -12.6482 -12.6425 -12.6425 -12.5835 -12.5835 -12.5275 -12.5275 -12.3743 -12.3743 4.4456 4.4456 6.1682 6.1682 8.0506 8.0506 8.7313 8.7313 8.7629 8.7629 9.4679 9.4679 9.7299 9.7299 10.5742 10.5742 10.6344 10.6344 11.1740 11.1740 k = 0.0000 0.4394-0.0000 ( 3098 PWs) bands (ev): -33.0581 -33.0581 -33.0119 -33.0119 -32.9736 -32.9736 -14.1533 -14.1533 -14.0466 -14.0466 -13.9289 -13.9289 -12.8250 -12.8250 -12.6405 -12.6405 -12.6387 -12.6387 -12.5868 -12.5868 -12.5377 -12.5377 -12.3755 -12.3755 4.4906 4.4906 6.1127 6.1127 8.0768 8.0768 8.7255 8.7255 8.7574 8.7574 9.4828 9.4828 9.7734 9.7734 10.5928 10.5928 10.6544 10.6544 11.2212 11.2212 k = 0.0000 0.4545-0.0000 ( 3098 PWs) bands (ev): -33.0570 -33.0570 -33.0131 -33.0131 -32.9736 -32.9736 -14.1532 -14.1532 -14.0427 -14.0427 -13.9326 -13.9326 -12.8241 -12.8241 -12.6354 -12.6354 -12.6330 -12.6330 -12.5898 -12.5898 -12.5471 -12.5471 -12.3764 -12.3764 4.5284 4.5284 6.0667 6.0667 8.0983 8.0983 8.7210 8.7210 8.7531 8.7531 9.4948 9.4948 9.8089 9.8089 10.6080 10.6080 10.6708 10.6708 11.2614 11.2614 k = 0.0000 0.4697-0.0000 ( 3106 PWs) bands (ev): -33.0561 -33.0561 -33.0140 -33.0140 -32.9737 -32.9737 -14.1530 -14.1530 -14.0398 -14.0398 -13.9354 -13.9354 -12.8235 -12.8235 -12.6326 -12.6326 -12.6263 -12.6263 -12.5923 -12.5923 -12.5551 -12.5551 -12.3771 -12.3771 4.5570 4.5570 6.0319 6.0319 8.1142 8.1142 8.7177 8.7177 8.7500 8.7500 9.5036 9.5036 9.8352 9.8352 10.6193 10.6193 10.6830 10.6830 11.2923 11.2923 k = 0.0000 0.4848-0.0000 ( 3082 PWs) bands (ev): -33.0554 -33.0554 -33.0144 -33.0144 -32.9737 -32.9737 -14.1530 -14.1530 -14.0379 -14.0379 -13.9371 -13.9371 -12.8231 -12.8231 -12.6307 -12.6307 -12.6213 -12.6213 -12.5940 -12.5940 -12.5609 -12.5609 -12.3775 -12.3775 4.5749 4.5749 6.0103 6.0103 8.1240 8.1240 8.7158 8.7158 8.7481 8.7481 9.5090 9.5090 9.8514 9.8514 10.6263 10.6263 10.6905 10.6905 11.3119 11.3119 k = 0.0000 0.5000-0.0000 ( 3082 PWs) bands (ev): -33.0552 -33.0552 -33.0146 -33.0146 -32.9737 -32.9737 -14.1529 -14.1529 -14.0373 -14.0373 -13.9377 -13.9377 -12.8230 -12.8230 -12.6301 -12.6301 -12.6195 -12.6195 -12.5946 -12.5946 -12.5630 -12.5630 -12.3776 -12.3776 4.5811 4.5811 6.0029 6.0029 8.1273 8.1273 8.7151 8.7151 8.7475 8.7475 9.5108 9.5108 9.8568 9.8568 10.6287 10.6287 10.6930 10.6930 11.3186 11.3186 k = 0.0000 0.5000-0.0000 ( 3082 PWs) bands (ev): -33.0552 -33.0552 -33.0146 -33.0146 -32.9737 -32.9737 -14.1529 -14.1529 -14.0373 -14.0373 -13.9377 -13.9377 -12.8230 -12.8230 -12.6301 -12.6301 -12.6195 -12.6195 -12.5946 -12.5946 -12.5630 -12.5630 -12.3776 -12.3776 4.5811 4.5811 6.0029 6.0029 8.1273 8.1273 8.7151 8.7151 8.7475 8.7475 9.5108 9.5108 9.8568 9.8568 10.6287 10.6287 10.6930 10.6930 11.3186 11.3186 k = 0.0152 0.5000-0.0000 ( 3082 PWs) bands (ev): -33.0552 -33.0552 -33.0146 -33.0146 -32.9737 -32.9737 -14.1528 -14.1528 -14.0374 -14.0374 -13.9379 -13.9379 -12.8229 -12.8229 -12.6309 -12.6309 -12.6194 -12.6194 -12.5945 -12.5945 -12.5622 -12.5622 -12.3777 -12.3777 4.5820 4.5820 6.0047 6.0047 8.1288 8.1288 8.7121 8.7121 8.7447 8.7447 9.5116 9.5116 9.8585 9.8585 10.6262 10.6262 10.6906 10.6906 11.3107 11.3107 k = 0.0303 0.5000-0.0000 ( 3098 PWs) bands (ev): -33.0551 -33.0551 -33.0147 -33.0147 -32.9739 -32.9739 -14.1525 -14.1525 -14.0376 -14.0376 -13.9383 -13.9383 -12.8226 -12.8226 -12.6334 -12.6334 -12.6192 -12.6192 -12.5943 -12.5943 -12.5600 -12.5600 -12.3782 -12.3782 4.5849 4.5849 6.0100 6.0100 8.1333 8.1333 8.7018 8.7018 8.7381 8.7381 9.5138 9.5138 9.8635 9.8635 10.6179 10.6179 10.6848 10.6848 11.3020 11.3020 k = 0.0455 0.5000-0.0000 ( 3108 PWs) bands (ev): -33.0549 -33.0549 -33.0147 -33.0147 -32.9741 -32.9741 -14.1520 -14.1520 -14.0379 -14.0379 -13.9390 -13.9390 -12.8221 -12.8221 -12.6371 -12.6371 -12.6188 -12.6188 -12.5940 -12.5940 -12.5565 -12.5565 -12.3789 -12.3789 4.5896 4.5896 6.0188 6.0188 8.1408 8.1408 8.6812 8.6812 8.7309 8.7309 9.5175 9.5175 9.8715 9.8715 10.6012 10.6012 10.6790 10.6790 11.2888 11.2888 k = 0.0606 0.5000-0.0000 ( 3108 PWs) bands (ev): -33.0546 -33.0546 -33.0147 -33.0147 -32.9744 -32.9744 -14.1513 -14.1513 -14.0384 -14.0384 -13.9400 -13.9400 -12.8214 -12.8214 -12.6416 -12.6416 -12.6184 -12.6184 -12.5939 -12.5939 -12.5520 -12.5520 -12.3798 -12.3798 4.5962 4.5962 6.0312 6.0312 8.1512 8.1512 8.6503 8.6503 8.7241 8.7241 9.5227 9.5227 9.8820 9.8820 10.5751 10.5751 10.6755 10.6755 11.2715 11.2715 k = 0.0758 0.5000-0.0000 ( 3102 PWs) bands (ev): -33.0542 -33.0542 -33.0147 -33.0147 -32.9747 -32.9747 -14.1504 -14.1504 -14.0390 -14.0390 -13.9413 -13.9413 -12.8205 -12.8205 -12.6466 -12.6466 -12.6179 -12.6179 -12.5938 -12.5938 -12.5468 -12.5468 -12.3811 -12.3811 4.6047 4.6047 6.0470 6.0470 8.1645 8.1645 8.6105 8.6105 8.7171 8.7171 9.5293 9.5293 9.8946 9.8946 10.5407 10.5407 10.6744 10.6744 11.2510 11.2510 k = 0.0909 0.5000-0.0000 ( 3100 PWs) bands (ev): -33.0537 -33.0537 -33.0146 -33.0146 -32.9752 -32.9752 -14.1493 -14.1493 -14.0397 -14.0397 -13.9428 -13.9428 -12.8194 -12.8194 -12.6520 -12.6520 -12.6173 -12.6173 -12.5938 -12.5938 -12.5410 -12.5410 -12.3825 -12.3825 4.6149 4.6149 6.0662 6.0662 8.1806 8.1806 8.5633 8.5633 8.7094 8.7094 9.5373 9.5373 9.9086 9.9086 10.5000 10.5000 10.6752 10.6752 11.2280 11.2280 k = 0.1061 0.5000-0.0000 ( 3094 PWs) bands (ev): -33.0531 -33.0531 -33.0146 -33.0146 -32.9758 -32.9758 -14.1480 -14.1480 -14.0406 -14.0406 -13.9447 -13.9447 -12.8181 -12.8181 -12.6576 -12.6576 -12.6167 -12.6167 -12.5940 -12.5940 -12.5350 -12.5350 -12.3842 -12.3842 4.6270 4.6270 6.0888 6.0888 8.1993 8.1993 8.5101 8.5101 8.7010 8.7010 9.5467 9.5467 9.9235 9.9235 10.4547 10.4547 10.6773 10.6773 11.2034 11.2034 k = 0.1212 0.5000-0.0000 ( 3086 PWs) bands (ev): -33.0524 -33.0524 -33.0146 -33.0146 -32.9765 -32.9765 -14.1465 -14.1465 -14.0415 -14.0415 -13.9467 -13.9467 -12.8166 -12.8166 -12.6633 -12.6633 -12.6160 -12.6160 -12.5942 -12.5942 -12.5287 -12.5287 -12.3862 -12.3862 4.6407 4.6407 6.1146 6.1146 8.2204 8.2204 8.4519 8.4519 8.6916 8.6916 9.5572 9.5572 9.9389 9.9389 10.4061 10.4061 10.6802 10.6802 11.1779 11.1779 k = 0.1364 0.5000-0.0000 ( 3090 PWs) bands (ev): -33.0516 -33.0516 -33.0146 -33.0146 -32.9772 -32.9772 -14.1449 -14.1449 -14.0426 -14.0426 -13.9491 -13.9491 -12.8149 -12.8149 -12.6690 -12.6690 -12.6153 -12.6153 -12.5945 -12.5945 -12.5223 -12.5223 -12.3883 -12.3883 4.6562 4.6562 6.1437 6.1437 8.2438 8.2438 8.3898 8.3898 8.6814 8.6814 9.5690 9.5690 9.9541 9.9541 10.3552 10.3552 10.6840 10.6840 11.1520 11.1520 k = 0.1515 0.5000-0.0000 ( 3096 PWs) bands (ev): -33.0508 -33.0508 -33.0146 -33.0146 -32.9781 -32.9781 -14.1430 -14.1430 -14.0437 -14.0437 -13.9517 -13.9517 -12.8131 -12.8131 -12.6746 -12.6746 -12.6145 -12.6145 -12.5948 -12.5948 -12.5159 -12.5159 -12.3906 -12.3906 4.6732 4.6732 6.1758 6.1758 8.2685 8.2685 8.3250 8.3250 8.6703 8.6703 9.5819 9.5819 9.9687 9.9687 10.3030 10.3030 10.6884 10.6884 11.1262 11.1262 k = 0.1667 0.5000-0.0000 ( 3084 PWs) bands (ev): -33.0498 -33.0498 -33.0145 -33.0145 -32.9790 -32.9790 -14.1409 -14.1409 -14.0449 -14.0449 -13.9545 -13.9545 -12.8110 -12.8110 -12.6802 -12.6802 -12.6138 -12.6138 -12.5952 -12.5952 -12.5095 -12.5095 -12.3931 -12.3931 4.6918 4.6918 6.2110 6.2110 8.2539 8.2539 8.2991 8.2991 8.6586 8.6586 9.5959 9.5959 9.9823 9.9823 10.2502 10.2502 10.6935 10.6935 11.1009 11.1009 k = 0.1818 0.5000-0.0000 ( 3088 PWs) bands (ev): -33.0488 -33.0488 -33.0145 -33.0145 -32.9800 -32.9800 -14.1387 -14.1387 -14.0462 -14.0462 -13.9575 -13.9575 -12.8088 -12.8088 -12.6856 -12.6856 -12.6130 -12.6130 -12.5957 -12.5957 -12.5032 -12.5032 -12.3957 -12.3957 4.7118 4.7118 6.2490 6.2490 8.1853 8.1853 8.3267 8.3267 8.6463 8.6463 9.6107 9.6107 9.9944 9.9944 10.1976 10.1976 10.6991 10.6991 11.0765 11.0765 k = 0.1970 0.5000-0.0000 ( 3090 PWs) bands (ev): -33.0477 -33.0477 -33.0145 -33.0145 -32.9811 -32.9811 -14.1363 -14.1363 -14.0476 -14.0476 -13.9608 -13.9608 -12.8064 -12.8064 -12.6909 -12.6909 -12.6123 -12.6123 -12.5962 -12.5962 -12.4969 -12.4969 -12.3984 -12.3984 4.7332 4.7332 6.2897 6.2897 8.1145 8.1145 8.3565 8.3565 8.6335 8.6335 9.6264 9.6264 10.0046 10.0046 10.1459 10.1459 10.7052 10.7052 11.0530 11.0530 k = 0.2121 0.5000-0.0000 ( 3102 PWs) bands (ev): -33.0466 -33.0466 -33.0145 -33.0145 -32.9823 -32.9823 -14.1337 -14.1337 -14.0489 -14.0489 -13.9642 -13.9642 -12.8038 -12.8038 -12.6960 -12.6960 -12.6116 -12.6116 -12.5968 -12.5968 -12.4908 -12.4908 -12.4012 -12.4012 4.7558 4.7558 6.3329 6.3329 8.0431 8.0431 8.3870 8.3870 8.6203 8.6203 9.6427 9.6427 10.0120 10.0120 10.0963 10.0963 10.7119 10.7119 11.0308 11.0308 k = 0.2273 0.5000-0.0000 ( 3106 PWs) bands (ev): -33.0453 -33.0453 -33.0145 -33.0145 -32.9835 -32.9835 -14.1309 -14.1309 -14.0504 -14.0504 -13.9679 -13.9679 -12.8011 -12.8011 -12.7009 -12.7009 -12.6110 -12.6110 -12.5974 -12.5974 -12.4848 -12.4848 -12.4041 -12.4041 4.7795 4.7795 6.3785 6.3785 7.9715 7.9715 8.4176 8.4176 8.6069 8.6069 9.6596 9.6596 10.0136 10.0136 10.0522 10.0522 10.7190 10.7190 11.0098 11.0098 k = 0.2424 0.5000-0.0000 ( 3106 PWs) bands (ev): -33.0440 -33.0440 -33.0145 -33.0145 -32.9848 -32.9848 -14.1280 -14.1280 -14.0518 -14.0518 -13.9717 -13.9717 -12.7982 -12.7982 -12.7056 -12.7056 -12.6105 -12.6105 -12.5981 -12.5981 -12.4790 -12.4790 -12.4069 -12.4069 4.8042 4.8042 6.4263 6.4263 7.9002 7.9002 8.4476 8.4476 8.5934 8.5934 9.6768 9.6768 9.9914 9.9914 10.0323 10.0323 10.7266 10.7266 10.9903 10.9903 k = 0.2576 0.5000-0.0000 ( 3110 PWs) bands (ev): -33.0426 -33.0426 -33.0145 -33.0145 -32.9862 -32.9862 -14.1249 -14.1249 -14.0532 -14.0532 -13.9757 -13.9757 -12.7953 -12.7953 -12.7101 -12.7101 -12.6100 -12.6100 -12.5989 -12.5989 -12.4735 -12.4735 -12.4098 -12.4098 4.8297 4.8297 6.4759 6.4759 7.8298 7.8298 8.4762 8.4762 8.5800 8.5800 9.6944 9.6944 9.9527 9.9527 10.0301 10.0301 10.7346 10.7346 10.9721 10.9721 k = 0.2727 0.5000-0.0000 ( 3110 PWs) bands (ev): -33.0412 -33.0412 -33.0145 -33.0145 -32.9876 -32.9876 -14.1217 -14.1217 -14.0546 -14.0546 -13.9799 -13.9799 -12.7922 -12.7922 -12.7144 -12.7144 -12.6096 -12.6096 -12.5997 -12.5997 -12.4681 -12.4681 -12.4126 -12.4126 4.8558 4.8558 6.5272 6.5272 7.7606 7.7606 8.5024 8.5024 8.5670 8.5670 9.7120 9.7120 9.9155 9.9155 10.0283 10.0283 10.7430 10.7430 10.9554 10.9554 k = 0.2879 0.5000-0.0000 ( 3114 PWs) bands (ev): -33.0397 -33.0397 -33.0145 -33.0145 -32.9891 -32.9891 -14.1183 -14.1183 -14.0560 -14.0560 -13.9841 -13.9841 -12.7890 -12.7890 -12.7184 -12.7184 -12.6093 -12.6093 -12.6006 -12.6006 -12.4630 -12.4630 -12.4153 -12.4153 4.8824 4.8824 6.5798 6.5798 7.6930 7.6930 8.5245 8.5245 8.5553 8.5553 9.7295 9.7295 9.8829 9.8829 10.0251 10.0251 10.7517 10.7517 10.9401 10.9401 k = 0.3030 0.5000-0.0000 ( 3114 PWs) bands (ev): -33.0381 -33.0381 -33.0144 -33.0144 -32.9907 -32.9907 -14.1148 -14.1148 -14.0574 -14.0574 -13.9885 -13.9885 -12.7858 -12.7858 -12.7222 -12.7222 -12.6090 -12.6090 -12.6016 -12.6016 -12.4582 -12.4582 -12.4179 -12.4179 4.9092 4.9092 6.6334 6.6334 7.6275 7.6275 8.5336 8.5336 8.5531 8.5531 9.7468 9.7468 9.8560 9.8560 10.0202 10.0202 10.7606 10.7606 10.9262 10.9262 k = 0.3182 0.5000-0.0000 ( 3114 PWs) bands (ev): -33.0365 -33.0365 -33.0144 -33.0144 -32.9923 -32.9923 -14.1111 -14.1111 -14.0587 -14.0587 -13.9930 -13.9930 -12.7826 -12.7826 -12.7257 -12.7257 -12.6088 -12.6088 -12.6027 -12.6027 -12.4537 -12.4537 -12.4204 -12.4204 4.9360 4.9360 6.6876 6.6876 7.5644 7.5644 8.5250 8.5250 8.5645 8.5645 9.7637 9.7637 9.8359 9.8359 10.0139 10.0139 10.7697 10.7697 10.9136 10.9136 k = 0.3333 0.5000-0.0000 ( 3114 PWs) bands (ev): -33.0348 -33.0348 -33.0144 -33.0144 -32.9939 -32.9939 -14.1074 -14.1074 -14.0600 -14.0600 -13.9976 -13.9976 -12.7794 -12.7794 -12.7290 -12.7290 -12.6087 -12.6087 -12.6038 -12.6038 -12.4495 -12.4495 -12.4228 -12.4228 4.9625 4.9625 6.7419 6.7419 7.5042 7.5042 8.5139 8.5139 8.5735 8.5735 9.7800 9.7800 9.8229 9.8229 10.0066 10.0066 10.7788 10.7788 10.9023 10.9023 k = 0.3485 0.5000-0.0000 ( 3116 PWs) bands (ev): -33.0331 -33.0331 -33.0144 -33.0144 -32.9957 -32.9957 -14.1035 -14.1035 -14.0612 -14.0612 -14.0023 -14.0023 -12.7762 -12.7762 -12.7320 -12.7320 -12.6086 -12.6086 -12.6050 -12.6050 -12.4457 -12.4457 -12.4249 -12.4249 4.9885 4.9885 6.7958 6.7958 7.4472 7.4472 8.5030 8.5030 8.5773 8.5773 9.7954 9.7954 9.8174 9.8174 9.9986 9.9986 10.7878 10.7878 10.8924 10.8924 k = 0.3636 0.5000-0.0000 ( 3120 PWs) bands (ev): -33.0314 -33.0314 -33.0144 -33.0144 -32.9974 -32.9974 -14.0995 -14.0995 -14.0622 -14.0622 -14.0069 -14.0069 -12.7731 -12.7731 -12.7347 -12.7347 -12.6086 -12.6086 -12.6062 -12.6062 -12.4422 -12.4422 -12.4269 -12.4269 5.0136 5.0136 6.8486 6.8486 7.3939 7.3939 8.4927 8.4927 8.5757 8.5757 9.8097 9.8097 9.8193 9.8193 9.9901 9.9901 10.7965 10.7965 10.8836 10.8836 k = 0.3788 0.5000-0.0000 ( 3116 PWs) bands (ev): -33.0296 -33.0296 -33.0144 -33.0144 -32.9992 -32.9992 -14.0955 -14.0955 -14.0632 -14.0632 -14.0117 -14.0117 -12.7702 -12.7702 -12.7371 -12.7371 -12.6088 -12.6088 -12.6074 -12.6074 -12.4392 -12.4392 -12.4285 -12.4285 5.0374 5.0374 6.8996 6.8996 7.3448 7.3448 8.4832 8.4832 8.5689 8.5689 9.8229 9.8229 9.8278 9.8278 9.9817 9.9817 10.8049 10.8049 10.8761 10.8761 k = 0.3939 0.5000-0.0000 ( 3116 PWs) bands (ev): -33.0277 -33.0277 -33.0143 -33.0143 -33.0010 -33.0010 -14.0915 -14.0915 -14.0641 -14.0641 -14.0163 -14.0163 -12.7674 -12.7674 -12.7392 -12.7392 -12.6093 -12.6093 -12.6081 -12.6081 -12.4367 -12.4367 -12.4297 -12.4297 5.0596 5.0596 6.9481 6.9481 7.3002 7.3002 8.4746 8.4746 8.5580 8.5580 9.8360 9.8360 9.8406 9.8406 9.9736 9.9736 10.8125 10.8125 10.8698 10.8698 k = 0.4091 0.5000-0.0000 ( 3116 PWs) bands (ev): -33.0259 -33.0259 -33.0143 -33.0143 -33.0029 -33.0029 -14.0874 -14.0874 -14.0649 -14.0649 -14.0210 -14.0210 -12.7649 -12.7649 -12.7410 -12.7410 -12.6104 -12.6104 -12.6083 -12.6083 -12.4352 -12.4352 -12.4302 -12.4302 5.0799 5.0799 6.9929 6.9929 7.2608 7.2608 8.4671 8.4671 8.5440 8.5440 9.8475 9.8475 9.8575 9.8575 9.9660 9.9660 10.8194 10.8194 10.8648 10.8648 k = 0.4242 0.5000-0.0000 ( 3112 PWs) bands (ev): -33.0240 -33.0240 -33.0143 -33.0143 -33.0047 -33.0047 -14.0835 -14.0835 -14.0655 -14.0655 -14.0255 -14.0255 -12.7627 -12.7627 -12.7425 -12.7425 -12.6114 -12.6114 -12.6084 -12.6084 -12.4349 -12.4349 -12.4295 -12.4295 5.0979 5.0979 7.0330 7.0330 7.2270 7.2270 8.4605 8.4605 8.5283 8.5283 9.8571 9.8571 9.8770 9.8770 9.9592 9.9592 10.8250 10.8250 10.8611 10.8611 k = 0.4394 0.5000-0.0000 ( 3112 PWs) bands (ev): -33.0221 -33.0221 -33.0143 -33.0143 -33.0066 -33.0066 -14.0797 -14.0797 -14.0659 -14.0659 -14.0298 -14.0298 -12.7608 -12.7608 -12.7437 -12.7437 -12.6124 -12.6124 -12.6085 -12.6085 -12.4354 -12.4354 -12.4283 -12.4283 5.1131 5.1131 7.0669 7.0669 7.1998 7.1998 8.4552 8.4552 8.5126 8.5126 9.8651 9.8651 9.8969 9.8969 9.9534 9.9534 10.8293 10.8293 10.8587 10.8587 k = 0.4545 0.5000-0.0000 ( 3116 PWs) bands (ev): -33.0202 -33.0202 -33.0143 -33.0143 -33.0085 -33.0085 -14.0764 -14.0764 -14.0660 -14.0660 -14.0338 -14.0338 -12.7594 -12.7594 -12.7446 -12.7446 -12.6133 -12.6133 -12.6085 -12.6085 -12.4359 -12.4359 -12.4271 -12.4271 5.1254 5.1254 7.0927 7.0927 7.1803 7.1803 8.4509 8.4509 8.4984 8.4984 9.8713 9.8713 9.9149 9.9149 9.9487 9.9487 10.8320 10.8320 10.8577 10.8577 k = 0.4697 0.5000-0.0000 ( 3124 PWs) bands (ev): -33.0182 -33.0182 -33.0143 -33.0143 -33.0105 -33.0105 -14.0738 -14.0738 -14.0658 -14.0658 -14.0372 -14.0372 -12.7583 -12.7583 -12.7452 -12.7452 -12.6139 -12.6139 -12.6085 -12.6085 -12.4363 -12.4363 -12.4263 -12.4263 5.1344 5.1344 7.1081 7.1081 7.1700 7.1700 8.4479 8.4479 8.4870 8.4870 9.8759 9.8759 9.9293 9.9293 9.9455 9.9455 10.8334 10.8334 10.8576 10.8576 k = 0.4848 0.5000-0.0000 ( 3136 PWs) bands (ev): -33.0163 -33.0163 -33.0144 -33.0144 -33.0125 -33.0125 -14.0722 -14.0722 -14.0653 -14.0653 -14.0396 -14.0396 -12.7577 -12.7577 -12.7456 -12.7456 -12.6143 -12.6143 -12.6086 -12.6086 -12.4366 -12.4366 -12.4257 -12.4257 5.1399 5.1399 7.1136 7.1136 7.1678 7.1678 8.4461 8.4461 8.4797 8.4797 9.8786 9.8786 9.9381 9.9381 9.9440 9.9440 10.8340 10.8340 10.8578 10.8578 k = 0.5000 0.5000-0.0000 ( 3136 PWs) bands (ev): -33.0145 -33.0145 -33.0144 -33.0144 -33.0144 -33.0144 -14.0717 -14.0717 -14.0650 -14.0650 -14.0405 -14.0405 -12.7575 -12.7575 -12.7457 -12.7457 -12.6144 -12.6144 -12.6086 -12.6086 -12.4367 -12.4367 -12.4255 -12.4255 5.1417 5.1417 7.1145 7.1145 7.1682 7.1682 8.4455 8.4455 8.4772 8.4772 9.8795 9.8795 9.9402 9.9402 9.9444 9.9444 10.8341 10.8341 10.8579 10.8579 k = 0.5000 0.5000-0.0000 ( 3136 PWs) bands (ev): -33.0145 -33.0145 -33.0144 -33.0144 -33.0144 -33.0144 -14.0717 -14.0717 -14.0650 -14.0650 -14.0405 -14.0405 -12.7575 -12.7575 -12.7457 -12.7457 -12.6144 -12.6144 -12.6086 -12.6086 -12.4367 -12.4367 -12.4255 -12.4255 5.1417 5.1417 7.1145 7.1145 7.1682 7.1682 8.4455 8.4455 8.4772 8.4772 9.8795 9.8795 9.9402 9.9402 9.9444 9.9444 10.8341 10.8341 10.8579 10.8579 k = 0.4894 0.4894-0.0000 ( 3136 PWs) bands (ev): -33.0164 -33.0164 -33.0143 -33.0143 -33.0125 -33.0125 -14.0722 -14.0722 -14.0653 -14.0653 -14.0396 -14.0396 -12.7577 -12.7577 -12.7456 -12.7456 -12.6143 -12.6143 -12.6086 -12.6086 -12.4366 -12.4366 -12.4257 -12.4257 5.1399 5.1399 7.1139 7.1139 7.1676 7.1676 8.4461 8.4461 8.4797 8.4797 9.8786 9.8786 9.9374 9.9374 9.9447 9.9447 10.8335 10.8335 10.8583 10.8583 k = 0.4787 0.4787-0.0000 ( 3132 PWs) bands (ev): -33.0183 -33.0183 -33.0142 -33.0142 -33.0106 -33.0106 -14.0736 -14.0736 -14.0660 -14.0660 -14.0372 -14.0372 -12.7583 -12.7583 -12.7453 -12.7453 -12.6141 -12.6141 -12.6083 -12.6083 -12.4364 -12.4364 -12.4262 -12.4262 5.1344 5.1344 7.1114 7.1114 7.1668 7.1668 8.4479 8.4479 8.4869 8.4869 9.8760 9.8760 9.9256 9.9256 9.9493 9.9493 10.8271 10.8271 10.8639 10.8639 k = 0.4681 0.4681-0.0000 ( 3112 PWs) bands (ev): -33.0204 -33.0204 -33.0139 -33.0139 -33.0087 -33.0087 -14.0757 -14.0757 -14.0668 -14.0668 -14.0336 -14.0336 -12.7593 -12.7593 -12.7447 -12.7447 -12.6143 -12.6143 -12.6074 -12.6074 -12.4363 -12.4363 -12.4267 -12.4267 5.1252 5.1252 7.1054 7.1054 7.1681 7.1681 8.4508 8.4508 8.4981 8.4981 9.8719 9.8719 9.9060 9.9060 9.9575 9.9575 10.8113 10.8113 10.8782 10.8782 k = 0.4574 0.4574-0.0000 ( 3112 PWs) bands (ev): -33.0224 -33.0224 -33.0136 -33.0136 -33.0070 -33.0070 -14.0785 -14.0785 -14.0676 -14.0676 -14.0294 -14.0294 -12.7606 -12.7606 -12.7440 -12.7440 -12.6152 -12.6152 -12.6056 -12.6056 -12.4367 -12.4367 -12.4270 -12.4270 5.1122 5.1122 7.0950 7.0950 7.1732 7.1732 8.4550 8.4550 8.5122 8.5122 9.8665 9.8665 9.8803 9.8803 9.9692 9.9692 10.7876 10.7876 10.9000 10.9000 k = 0.4468 0.4468-0.0000 ( 3116 PWs) bands (ev): -33.0246 -33.0246 -33.0132 -33.0132 -33.0053 -33.0053 -14.0815 -14.0815 -14.0684 -14.0684 -14.0245 -14.0245 -12.7623 -12.7623 -12.7430 -12.7430 -12.6168 -12.6168 -12.6028 -12.6028 -12.4380 -12.4380 -12.4264 -12.4264 5.0953 5.0953 7.0808 7.0808 7.1824 7.1824 8.4603 8.4603 8.5278 8.5278 9.8496 9.8496 9.8604 9.8604 9.9842 9.9842 10.7572 10.7572 10.9280 10.9280 k = 0.4362 0.4362-0.0000 ( 3112 PWs) bands (ev): -33.0267 -33.0267 -33.0127 -33.0127 -33.0036 -33.0036 -14.0848 -14.0848 -14.0693 -14.0693 -14.0193 -14.0193 -12.7643 -12.7643 -12.7419 -12.7419 -12.6188 -12.6188 -12.5994 -12.5994 -12.4404 -12.4404 -12.4251 -12.4251 5.0743 5.0743 7.0645 7.0645 7.1953 7.1953 8.4667 8.4667 8.5434 8.5434 9.8155 9.8155 9.8538 9.8538 10.0024 10.0024 10.7210 10.7210 10.9614 10.9614 k = 0.4255 0.4255-0.0000 ( 3112 PWs) bands (ev): -33.0289 -33.0289 -33.0121 -33.0121 -33.0020 -33.0020 -14.0880 -14.0880 -14.0703 -14.0703 -14.0138 -14.0138 -12.7665 -12.7665 -12.7405 -12.7405 -12.6211 -12.6211 -12.5953 -12.5953 -12.4436 -12.4436 -12.4231 -12.4231 5.0493 5.0493 7.0476 7.0476 7.2114 7.2114 8.4741 8.4741 8.5576 8.5576 9.7794 9.7794 9.8472 9.8472 10.0238 10.0238 10.6796 10.6796 10.9996 10.9996 k = 0.4149 0.4149-0.0000 ( 3116 PWs) bands (ev): -33.0311 -33.0311 -33.0115 -33.0115 -33.0005 -33.0005 -14.0913 -14.0913 -14.0714 -14.0714 -14.0080 -14.0080 -12.7690 -12.7690 -12.7390 -12.7390 -12.6238 -12.6238 -12.5906 -12.5906 -12.4474 -12.4474 -12.4206 -12.4206 5.0201 5.0201 7.0314 7.0314 7.2302 7.2302 8.4824 8.4824 8.5689 8.5689 9.7423 9.7423 9.8410 9.8410 10.0484 10.0484 10.6338 10.6338 11.0420 11.0420 k = 0.4043 0.4043-0.0000 ( 3116 PWs) bands (ev): -33.0334 -33.0334 -33.0108 -33.0108 -32.9990 -32.9990 -14.0945 -14.0945 -14.0727 -14.0727 -14.0019 -14.0019 -12.7717 -12.7717 -12.7374 -12.7374 -12.6268 -12.6268 -12.5854 -12.5854 -12.4517 -12.4517 -12.4178 -12.4178 4.9867 4.9867 7.0170 7.0170 7.2515 7.2515 8.4916 8.4916 8.5763 8.5763 9.7052 9.7052 9.8357 9.8357 10.0760 10.0760 10.5841 10.5841 11.0879 11.0879 k = 0.3936 0.3936-0.0000 ( 3117 PWs) bands (ev): -33.0357 -33.0357 -33.0100 -33.0100 -32.9975 -32.9975 -14.0977 -14.0977 -14.0741 -14.0741 -13.9957 -13.9957 -12.7746 -12.7746 -12.7356 -12.7356 -12.6299 -12.6299 -12.5798 -12.5798 -12.4564 -12.4564 -12.4148 -12.4148 4.9492 4.9492 7.0052 7.0052 7.2751 7.2751 8.5016 8.5016 8.5789 8.5789 9.6687 9.6687 9.8314 9.8314 10.1064 10.1064 10.5312 10.5312 11.1364 11.1364 k = 0.3830 0.3830-0.0000 ( 3119 PWs) bands (ev): -33.0380 -33.0380 -33.0091 -33.0091 -32.9961 -32.9961 -14.1008 -14.1008 -14.0756 -14.0756 -13.9893 -13.9893 -12.7777 -12.7777 -12.7337 -12.7337 -12.6333 -12.6333 -12.5738 -12.5738 -12.4615 -12.4615 -12.4115 -12.4115 4.9077 4.9077 6.9963 6.9963 7.3008 7.3008 8.5122 8.5122 8.5763 8.5763 9.6333 9.6333 9.8286 9.8286 10.1396 10.1396 10.4756 10.4756 11.1852 11.1852 k = 0.3723 0.3723-0.0000 ( 3119 PWs) bands (ev): -33.0403 -33.0403 -33.0082 -33.0082 -32.9948 -32.9948 -14.1039 -14.1039 -14.0773 -14.0773 -13.9827 -13.9827 -12.7809 -12.7809 -12.7318 -12.7318 -12.6367 -12.6367 -12.5673 -12.5673 -12.4668 -12.4668 -12.4081 -12.4081 4.8625 4.8625 6.9909 6.9909 7.3284 7.3284 8.5232 8.5232 8.5683 8.5683 9.5991 9.5991 9.8274 9.8274 10.1752 10.1752 10.4178 10.4178 11.2248 11.2248 k = 0.3617 0.3617-0.0000 ( 3119 PWs) bands (ev): -33.0426 -33.0426 -33.0072 -33.0072 -32.9935 -32.9935 -14.1069 -14.1069 -14.0791 -14.0791 -13.9760 -13.9760 -12.7842 -12.7842 -12.7298 -12.7298 -12.6402 -12.6402 -12.5605 -12.5605 -12.4723 -12.4723 -12.4045 -12.4045 4.8137 4.8137 6.9890 6.9890 7.3578 7.3578 8.5333 8.5333 8.5566 8.5566 9.5659 9.5659 9.8281 9.8281 10.2129 10.2129 10.3583 10.3583 11.2201 11.2201 k = 0.3511 0.3511-0.0000 ( 3125 PWs) bands (ev): -33.0450 -33.0450 -33.0061 -33.0061 -32.9923 -32.9923 -14.1098 -14.1098 -14.0811 -14.0811 -13.9692 -13.9692 -12.7876 -12.7876 -12.7278 -12.7278 -12.6438 -12.6438 -12.5534 -12.5534 -12.4779 -12.4779 -12.4008 -12.4008 4.7617 4.7617 6.9906 6.9906 7.3889 7.3889 8.5308 8.5308 8.5532 8.5532 9.5335 9.5335 9.8307 9.8307 10.2522 10.2522 10.2979 10.2979 11.1805 11.1805 k = 0.3404 0.3404-0.0000 ( 3127 PWs) bands (ev): -33.0473 -33.0473 -33.0051 -33.0051 -32.9910 -32.9910 -14.1127 -14.1127 -14.0832 -14.0832 -13.9624 -13.9624 -12.7912 -12.7912 -12.7258 -12.7258 -12.6474 -12.6474 -12.5460 -12.5460 -12.4836 -12.4836 -12.3971 -12.3971 4.7070 4.7070 6.9953 6.9953 7.4214 7.4214 8.5108 8.5108 8.5638 8.5638 9.5016 9.5016 9.8353 9.8353 10.2351 10.2351 10.2942 10.2942 11.1334 11.1334 k = 0.3298 0.3298-0.0000 ( 3111 PWs) bands (ev): -33.0496 -33.0496 -33.0039 -33.0039 -32.9899 -32.9899 -14.1155 -14.1155 -14.0855 -14.0855 -13.9555 -13.9555 -12.7949 -12.7949 -12.7238 -12.7238 -12.6510 -12.6510 -12.5383 -12.5383 -12.4892 -12.4892 -12.3933 -12.3933 4.6498 4.6498 7.0029 7.0029 7.4552 7.4552 8.4861 8.4861 8.5766 8.5766 9.4696 9.4696 9.8421 9.8421 10.1732 10.1732 10.3359 10.3359 11.0839 11.0839 k = 0.3191 0.3191-0.0000 ( 3109 PWs) bands (ev): -33.0519 -33.0519 -33.0027 -33.0027 -32.9888 -32.9888 -14.1183 -14.1183 -14.0879 -14.0879 -13.9485 -13.9485 -12.7987 -12.7987 -12.7219 -12.7219 -12.6545 -12.6545 -12.5304 -12.5304 -12.4946 -12.4946 -12.3895 -12.3895 4.5906 4.5906 7.0128 7.0128 7.4902 7.4902 8.4593 8.4593 8.5901 8.5901 9.4374 9.4374 9.8509 9.8509 10.1107 10.1107 10.3781 10.3781 11.0327 11.0327 k = 0.3085 0.3085-0.0000 ( 3105 PWs) bands (ev): -33.0542 -33.0542 -33.0014 -33.0014 -32.9877 -32.9877 -14.1210 -14.1210 -14.0905 -14.0905 -13.9416 -13.9416 -12.8027 -12.8027 -12.7202 -12.7202 -12.6580 -12.6580 -12.5225 -12.5225 -12.4997 -12.4997 -12.3856 -12.3856 4.5298 4.5298 7.0244 7.0244 7.5263 7.5263 8.4316 8.4316 8.6040 8.6040 9.4047 9.4047 9.8618 9.8618 10.0483 10.0483 10.4200 10.4200 10.9800 10.9800 k = 0.2979 0.2979-0.0000 ( 3093 PWs) bands (ev): -33.0565 -33.0565 -33.0001 -33.0001 -32.9867 -32.9867 -14.1236 -14.1236 -14.0932 -14.0932 -13.9347 -13.9347 -12.8067 -12.8067 -12.7186 -12.7186 -12.6615 -12.6615 -12.5155 -12.5155 -12.5033 -12.5033 -12.3818 -12.3818 4.4678 4.4678 7.0370 7.0370 7.5633 7.5633 8.4045 8.4045 8.6182 8.6182 9.3714 9.3714 9.8746 9.8746 9.9862 9.9862 10.4607 10.4607 10.9259 10.9259 k = 0.2872 0.2872-0.0000 ( 3093 PWs) bands (ev): -33.0588 -33.0588 -32.9988 -32.9988 -32.9857 -32.9857 -14.1261 -14.1261 -14.0960 -14.0960 -13.9279 -13.9279 -12.8108 -12.8108 -12.7171 -12.7171 -12.6648 -12.6648 -12.5137 -12.5137 -12.5013 -12.5013 -12.3780 -12.3780 4.4051 4.4051 7.0498 7.0498 7.6011 7.6011 8.3791 8.3791 8.6326 8.6326 9.3376 9.3376 9.8891 9.8891 9.9248 9.9248 10.4995 10.4995 10.8703 10.8703 k = 0.2766 0.2766-0.0000 ( 3087 PWs) bands (ev): -33.0611 -33.0611 -32.9975 -32.9975 -32.9848 -32.9848 -14.1286 -14.1286 -14.0989 -14.0989 -13.9211 -13.9211 -12.8151 -12.8151 -12.7159 -12.7159 -12.6680 -12.6680 -12.5169 -12.5169 -12.4938 -12.4938 -12.3743 -12.3743 4.3420 4.3420 7.0619 7.0619 7.6396 7.6396 8.3565 8.3565 8.6473 8.6473 9.3032 9.3032 9.8638 9.8638 9.9057 9.9057 10.5356 10.5356 10.8135 10.8135 k = 0.2660 0.2660-0.0000 ( 3087 PWs) bands (ev): -33.0633 -33.0633 -32.9962 -32.9962 -32.9839 -32.9839 -14.1311 -14.1311 -14.1020 -14.1020 -13.9145 -13.9145 -12.8195 -12.8195 -12.7148 -12.7148 -12.6712 -12.6712 -12.5207 -12.5207 -12.4851 -12.4851 -12.3706 -12.3706 4.2788 4.2788 7.0725 7.0725 7.6788 7.6788 8.3378 8.3378 8.6622 8.6622 9.2686 9.2686 9.8041 9.8041 9.9234 9.9234 10.5680 10.5680 10.7557 10.7557 k = 0.2553 0.2553-0.0000 ( 3081 PWs) bands (ev): -33.0655 -33.0655 -32.9949 -32.9949 -32.9830 -32.9830 -14.1334 -14.1334 -14.1051 -14.1051 -13.9079 -13.9079 -12.8239 -12.8239 -12.7140 -12.7140 -12.6742 -12.6742 -12.5243 -12.5243 -12.4761 -12.4761 -12.3669 -12.3669 4.2159 4.2159 7.0808 7.0808 7.7185 7.7185 8.3238 8.3238 8.6772 8.6772 9.2338 9.2338 9.7455 9.7455 9.9425 9.9425 10.5958 10.5958 10.6974 10.6974 k = 0.2447 0.2447-0.0000 ( 3081 PWs) bands (ev): -33.0677 -33.0677 -32.9935 -32.9935 -32.9822 -32.9822 -14.1357 -14.1357 -14.1083 -14.1083 -13.9015 -13.9015 -12.8285 -12.8285 -12.7134 -12.7134 -12.6771 -12.6771 -12.5276 -12.5276 -12.4668 -12.4668 -12.3634 -12.3634 4.1537 4.1537 7.0860 7.0860 7.7586 7.7586 8.3152 8.3152 8.6925 8.6925 9.1993 9.1993 9.6882 9.6882 9.9625 9.9625 10.6169 10.6169 10.6407 10.6407 k = 0.2340 0.2340-0.0000 ( 3091 PWs) bands (ev): -33.0698 -33.0698 -32.9922 -32.9922 -32.9815 -32.9815 -14.1379 -14.1379 -14.1116 -14.1116 -13.8953 -13.8953 -12.8331 -12.8331 -12.7131 -12.7131 -12.6800 -12.6800 -12.5304 -12.5304 -12.4575 -12.4575 -12.3599 -12.3599 4.0923 4.0923 7.0876 7.0876 7.7991 7.7991 8.3124 8.3124 8.7079 8.7079 9.1653 9.1653 9.6324 9.6324 9.9833 9.9833 10.5791 10.5791 10.6376 10.6376 k = 0.2234 0.2234-0.0000 ( 3091 PWs) bands (ev): -33.0720 -33.0720 -32.9908 -32.9908 -32.9808 -32.9808 -14.1401 -14.1401 -14.1150 -14.1150 -13.8893 -13.8893 -12.8377 -12.8377 -12.7129 -12.7129 -12.6827 -12.6827 -12.5328 -12.5328 -12.4480 -12.4480 -12.3565 -12.3565 4.0322 4.0322 7.0853 7.0853 7.8398 7.8398 8.3156 8.3156 8.7235 8.7235 9.1321 9.1321 9.5782 9.5782 10.0046 10.0046 10.5224 10.5224 10.6484 10.6484 k = 0.2128 0.2128-0.0000 ( 3099 PWs) bands (ev): -33.0740 -33.0740 -32.9895 -32.9895 -32.9802 -32.9802 -14.1422 -14.1422 -14.1184 -14.1184 -13.8834 -13.8834 -12.8424 -12.8424 -12.7129 -12.7129 -12.6854 -12.6854 -12.5347 -12.5347 -12.4386 -12.4386 -12.3533 -12.3533 3.9734 3.9734 7.0789 7.0789 7.8808 7.8808 8.3245 8.3245 8.7393 8.7393 9.1002 9.1002 9.5258 9.5258 10.0260 10.0260 10.4671 10.4671 10.6534 10.6534 k = 0.2021 0.2021-0.0000 ( 3097 PWs) bands (ev): -33.0760 -33.0760 -32.9883 -32.9883 -32.9795 -32.9795 -14.1442 -14.1442 -14.1218 -14.1218 -13.8778 -13.8778 -12.8471 -12.8471 -12.7130 -12.7130 -12.6880 -12.6880 -12.5362 -12.5362 -12.4292 -12.4292 -12.3501 -12.3501 3.9163 3.9163 7.0686 7.0686 7.9218 7.9218 8.3385 8.3385 8.7552 8.7552 9.0699 9.0699 9.4753 9.4753 10.0473 10.0473 10.4141 10.4141 10.6524 10.6524 k = 0.1915 0.1915-0.0000 ( 3097 PWs) bands (ev): -33.0778 -33.0778 -32.9870 -32.9870 -32.9789 -32.9789 -14.1461 -14.1461 -14.1252 -14.1252 -13.8724 -13.8724 -12.8517 -12.8517 -12.7132 -12.7132 -12.6906 -12.6906 -12.5373 -12.5373 -12.4199 -12.4199 -12.3471 -12.3471 3.8610 3.8610 7.0547 7.0547 7.9628 7.9628 8.3567 8.3567 8.7712 8.7712 9.0417 9.0417 9.4267 9.4267 10.0682 10.0682 10.3642 10.3642 10.6454 10.6454 k = 0.1809 0.1809-0.0000 ( 3081 PWs) bands (ev): -33.0796 -33.0796 -32.9857 -32.9857 -32.9783 -32.9783 -14.1480 -14.1480 -14.1286 -14.1286 -13.8673 -13.8673 -12.8563 -12.8563 -12.7136 -12.7136 -12.6931 -12.6931 -12.5380 -12.5380 -12.4107 -12.4107 -12.3442 -12.3442 3.8078 3.8078 7.0378 7.0378 8.0037 8.0037 8.3779 8.3779 8.7873 8.7873 9.0161 9.0161 9.3803 9.3803 10.0883 10.0883 10.3179 10.3179 10.6329 10.6329 k = 0.1702 0.1702-0.0000 ( 3077 PWs) bands (ev): -33.0813 -33.0813 -32.9845 -32.9845 -32.9778 -32.9778 -14.1497 -14.1497 -14.1320 -14.1320 -13.8624 -13.8624 -12.8608 -12.8608 -12.7139 -12.7139 -12.6955 -12.6955 -12.5384 -12.5384 -12.4018 -12.4018 -12.3414 -12.3414 3.7567 3.7567 7.0185 7.0185 8.0443 8.0443 8.4008 8.4008 8.8034 8.8034 8.9936 8.9936 9.3360 9.3360 10.1074 10.1074 10.2761 10.2761 10.6154 10.6154 k = 0.1596 0.1596-0.0000 ( 3077 PWs) bands (ev): -33.0830 -33.0830 -32.9833 -32.9833 -32.9773 -32.9773 -14.1514 -14.1514 -14.1353 -14.1353 -13.8578 -13.8578 -12.8652 -12.8652 -12.7143 -12.7143 -12.6979 -12.6979 -12.5385 -12.5385 -12.3930 -12.3930 -12.3388 -12.3388 3.7080 3.7080 6.9973 6.9973 8.0846 8.0846 8.4237 8.4237 8.8195 8.8195 8.9747 8.9747 9.2940 9.2940 10.1252 10.1252 10.2394 10.2394 10.5936 10.5936 k = 0.1489 0.1489-0.0000 ( 3077 PWs) bands (ev): -33.0846 -33.0846 -32.9822 -32.9822 -32.9769 -32.9769 -14.1530 -14.1530 -14.1385 -14.1385 -13.8534 -13.8534 -12.8695 -12.8695 -12.7148 -12.7148 -12.7002 -12.7002 -12.5384 -12.5384 -12.3845 -12.3845 -12.3363 -12.3363 3.6619 3.6619 6.9750 6.9750 8.1244 8.1244 8.4452 8.4452 8.8355 8.8355 8.9599 8.9599 9.2544 9.2544 10.1411 10.1411 10.2086 10.2086 10.5680 10.5680 k = 0.1383 0.1383-0.0000 ( 3083 PWs) bands (ev): -33.0861 -33.0861 -32.9812 -32.9812 -32.9765 -32.9765 -14.1544 -14.1544 -14.1417 -14.1417 -13.8494 -13.8494 -12.8736 -12.8736 -12.7152 -12.7152 -12.7024 -12.7024 -12.5381 -12.5381 -12.3763 -12.3763 -12.3339 -12.3339 3.6183 3.6183 6.9520 6.9520 8.1635 8.1635 8.4640 8.4640 8.8512 8.8512 8.9495 8.9495 9.2172 9.2172 10.1534 10.1534 10.1859 10.1859 10.5394 10.5394 k = 0.1277 0.1277-0.0000 ( 3083 PWs) bands (ev): -33.0875 -33.0875 -32.9802 -32.9802 -32.9761 -32.9761 -14.1558 -14.1558 -14.1447 -14.1447 -13.8456 -13.8456 -12.8775 -12.8775 -12.7156 -12.7156 -12.7045 -12.7045 -12.5376 -12.5376 -12.3685 -12.3685 -12.3318 -12.3318 3.5776 3.5776 6.9289 6.9289 8.2017 8.2017 8.4791 8.4791 8.8667 8.8667 8.9436 8.9436 9.1825 9.1825 10.1538 10.1538 10.1799 10.1799 10.5086 10.5086 k = 0.1170 0.1170-0.0000 ( 3081 PWs) bands (ev): -33.0888 -33.0888 -32.9792 -32.9792 -32.9758 -32.9758 -14.1571 -14.1571 -14.1475 -14.1475 -13.8421 -13.8421 -12.8812 -12.8812 -12.7159 -12.7159 -12.7065 -12.7065 -12.5371 -12.5371 -12.3611 -12.3611 -12.3297 -12.3297 3.5397 3.5397 6.9061 6.9061 8.2388 8.2388 8.4899 8.4899 8.8818 8.8818 8.9417 8.9417 9.1503 9.1503 10.1449 10.1449 10.1878 10.1878 10.4763 10.4763 k = 0.1064 0.1064-0.0000 ( 3085 PWs) bands (ev): -33.0900 -33.0900 -32.9784 -32.9784 -32.9755 -32.9755 -14.1583 -14.1583 -14.1502 -14.1502 -13.8390 -13.8390 -12.8847 -12.8847 -12.7163 -12.7163 -12.7084 -12.7084 -12.5364 -12.5364 -12.3542 -12.3542 -12.3279 -12.3279 3.5047 3.5047 6.8841 6.8841 8.2744 8.2744 8.4964 8.4964 8.8963 8.8963 8.9433 8.9433 9.1208 9.1208 10.1395 10.1395 10.1971 10.1971 10.4434 10.4434 k = 0.0957 0.0957-0.0000 ( 3085 PWs) bands (ev): -33.0911 -33.0911 -32.9776 -32.9776 -32.9752 -32.9752 -14.1594 -14.1594 -14.1527 -14.1527 -13.8361 -13.8361 -12.8878 -12.8878 -12.7166 -12.7166 -12.7101 -12.7101 -12.5357 -12.5357 -12.3478 -12.3478 -12.3262 -12.3262 3.4728 3.4728 6.8633 6.8633 8.3083 8.3083 8.4992 8.4992 8.9101 8.9101 8.9472 8.9472 9.0939 9.0939 10.1396 10.1396 10.2054 10.2054 10.4106 10.4106 k = 0.0851 0.0851-0.0000 ( 3085 PWs) bands (ev): -33.0920 -33.0920 -32.9768 -32.9768 -32.9750 -32.9750 -14.1604 -14.1604 -14.1550 -14.1550 -13.8335 -13.8335 -12.8907 -12.8907 -12.7169 -12.7169 -12.7117 -12.7117 -12.5351 -12.5351 -12.3420 -12.3420 -12.3247 -12.3247 3.4441 3.4441 6.8440 6.8440 8.3402 8.3402 8.4990 8.4990 8.9231 8.9231 8.9524 8.9524 9.0698 9.0698 10.1448 10.1448 10.2123 10.2123 10.3786 10.3786 k = 0.0745 0.0745-0.0000 ( 3087 PWs) bands (ev): -33.0929 -33.0929 -32.9762 -32.9762 -32.9747 -32.9747 -14.1612 -14.1612 -14.1570 -14.1570 -13.8312 -13.8312 -12.8933 -12.8933 -12.7171 -12.7171 -12.7131 -12.7131 -12.5344 -12.5344 -12.3367 -12.3367 -12.3233 -12.3233 3.4186 3.4186 6.8263 6.8263 8.3697 8.3697 8.4968 8.4968 8.9351 8.9351 8.9580 8.9580 9.0483 9.0483 10.1544 10.1544 10.2179 10.2179 10.3482 10.3482 k = 0.0638 0.0638-0.0000 ( 3079 PWs) bands (ev): -33.0936 -33.0936 -32.9756 -32.9756 -32.9745 -32.9745 -14.1620 -14.1620 -14.1589 -14.1589 -13.8292 -13.8292 -12.8956 -12.8956 -12.7173 -12.7173 -12.7144 -12.7144 -12.5338 -12.5338 -12.3321 -12.3321 -12.3221 -12.3221 3.3964 3.3964 6.8106 6.8106 8.3964 8.3964 8.4933 8.4933 8.9458 8.9458 8.9633 8.9633 9.0297 9.0297 10.1670 10.1670 10.2223 10.2223 10.3202 10.3202 k = 0.0532 0.0532-0.0000 ( 3073 PWs) bands (ev): -33.0942 -33.0942 -32.9751 -32.9751 -32.9744 -32.9744 -14.1626 -14.1626 -14.1604 -14.1604 -13.8276 -13.8276 -12.8976 -12.8976 -12.7175 -12.7175 -12.7154 -12.7154 -12.5332 -12.5332 -12.3281 -12.3281 -12.3211 -12.3211 3.3775 3.3775 6.7970 6.7970 8.4199 8.4199 8.4893 8.4893 8.9552 8.9552 8.9679 8.9679 9.0140 9.0140 10.1813 10.1813 10.2256 10.2256 10.2953 10.2953 k = 0.0426 0.0426-0.0000 ( 3079 PWs) bands (ev): -33.0947 -33.0947 -32.9748 -32.9748 -32.9743 -32.9743 -14.1631 -14.1631 -14.1617 -14.1617 -13.8262 -13.8262 -12.8992 -12.8992 -12.7176 -12.7176 -12.7163 -12.7163 -12.5327 -12.5327 -12.3248 -12.3248 -12.3203 -12.3203 3.3619 3.3619 6.7856 6.7856 8.4398 8.4398 8.4853 8.4853 8.9630 8.9630 8.9717 8.9717 9.0010 9.0010 10.1956 10.1956 10.2278 10.2278 10.2743 10.2743 k = 0.0319 0.0319-0.0000 ( 3089 PWs) bands (ev): -33.0952 -33.0952 -32.9745 -32.9745 -32.9742 -32.9742 -14.1636 -14.1636 -14.1628 -14.1628 -13.8251 -13.8251 -12.9004 -12.9004 -12.7178 -12.7178 -12.7170 -12.7170 -12.5324 -12.5324 -12.3222 -12.3222 -12.3197 -12.3197 3.3498 3.3498 6.7767 6.7767 8.4558 8.4558 8.4819 8.4819 8.9690 8.9690 8.9746 8.9746 8.9910 8.9910 10.2082 10.2082 10.2289 10.2289 10.2583 10.2583 k = 0.0213 0.0213-0.0000 ( 3089 PWs) bands (ev): -33.0955 -33.0955 -32.9743 -32.9743 -32.9742 -32.9742 -14.1639 -14.1639 -14.1635 -14.1635 -13.8244 -13.8244 -12.9013 -12.9013 -12.7178 -12.7178 -12.7175 -12.7175 -12.5321 -12.5321 -12.3204 -12.3204 -12.3192 -12.3192 3.3411 3.3411 6.7703 6.7703 8.4674 8.4674 8.4792 8.4792 8.9729 8.9729 8.9769 8.9769 8.9841 8.9841 10.2175 10.2175 10.2280 10.2280 10.2489 10.2489 k = 0.0106 0.0106-0.0000 ( 3085 PWs) bands (ev): -33.0956 -33.0956 -32.9741 -32.9741 -32.9741 -32.9741 -14.1640 -14.1640 -14.1639 -14.1639 -13.8239 -13.8239 -12.9019 -12.9019 -12.7179 -12.7179 -12.7178 -12.7178 -12.5319 -12.5319 -12.3192 -12.3192 -12.3190 -12.3190 3.3359 3.3359 6.7664 6.7664 8.4745 8.4745 8.4775 8.4775 8.9743 8.9743 8.9787 8.9787 8.9804 8.9804 10.2226 10.2226 10.2255 10.2255 10.2459 10.2459 k = 0.0000 0.0000 0.0000 ( 3071 PWs) bands (ev): -33.0957 -33.0957 -32.9740 -32.9740 -32.9740 -32.9740 -14.1641 -14.1641 -14.1641 -14.1641 -13.8238 -13.8238 -12.9021 -12.9021 -12.7179 -12.7179 -12.7179 -12.7179 -12.5319 -12.5319 -12.3189 -12.3189 -12.3189 -12.3189 3.3342 3.3342 6.7651 6.7651 8.4769 8.4769 8.4769 8.4769 8.9744 8.9744 8.9794 8.9794 8.9794 8.9794 10.2242 10.2242 10.2242 10.2242 10.2457 10.2457 k = 0.0000 0.0000 0.0000 ( 3071 PWs) bands (ev): -33.0957 -33.0957 -32.9740 -32.9740 -32.9740 -32.9740 -14.1641 -14.1641 -14.1641 -14.1641 -13.8238 -13.8238 -12.9021 -12.9021 -12.7179 -12.7179 -12.7179 -12.7179 -12.5319 -12.5319 -12.3189 -12.3189 -12.3189 -12.3189 3.3342 3.3342 6.7651 6.7651 8.4769 8.4769 8.4769 8.4769 8.9744 8.9744 8.9794 8.9794 8.9794 8.9794 10.2242 10.2242 10.2242 10.2242 10.2457 10.2457 k = 0.0088 0.0088 0.0088 ( 3092 PWs) bands (ev): -33.0956 -33.0956 -32.9741 -32.9741 -32.9741 -32.9741 -14.1640 -14.1640 -14.1640 -14.1640 -13.8239 -13.8239 -12.9019 -12.9019 -12.7179 -12.7179 -12.7178 -12.7178 -12.5319 -12.5319 -12.3193 -12.3193 -12.3189 -12.3189 3.3360 3.3360 6.7664 6.7664 8.4759 8.4759 8.4760 8.4760 8.9742 8.9742 8.9789 8.9789 8.9803 8.9803 10.2222 10.2222 10.2259 10.2259 10.2460 10.2460 k = 0.0175 0.0175 0.0175 ( 3092 PWs) bands (ev): -33.0955 -33.0955 -32.9742 -32.9742 -32.9742 -32.9742 -14.1638 -14.1638 -14.1636 -14.1636 -13.8244 -13.8244 -12.9013 -12.9013 -12.7178 -12.7178 -12.7175 -12.7175 -12.5321 -12.5321 -12.3204 -12.3204 -12.3192 -12.3192 3.3413 3.3413 6.7704 6.7704 8.4730 8.4730 8.4734 8.4734 8.9709 8.9709 8.9801 8.9801 8.9829 8.9829 10.2145 10.2145 10.2311 10.2311 10.2488 10.2488 k = 0.0263 0.0263 0.0263 ( 3092 PWs) bands (ev): -33.0952 -33.0952 -32.9744 -32.9744 -32.9744 -32.9744 -14.1634 -14.1634 -14.1629 -14.1629 -13.8252 -13.8252 -12.9004 -12.9004 -12.7177 -12.7177 -12.7170 -12.7170 -12.5324 -12.5324 -12.3224 -12.3224 -12.3196 -12.3196 3.3501 3.3501 6.7769 6.7769 8.4683 8.4683 8.4690 8.4690 8.9632 8.9632 8.9840 8.9840 8.9874 8.9874 10.1999 10.1999 10.2396 10.2396 10.2559 10.2559 k = 0.0351 0.0351 0.0351 ( 3083 PWs) bands (ev): -33.0947 -33.0947 -32.9746 -32.9746 -32.9746 -32.9746 -14.1628 -14.1628 -14.1620 -14.1620 -13.8262 -13.8262 -12.8991 -12.8991 -12.7176 -12.7176 -12.7163 -12.7163 -12.5328 -12.5328 -12.3251 -12.3251 -12.3202 -12.3202 3.3625 3.3625 6.7861 6.7861 8.4616 8.4616 8.4629 8.4629 8.9518 8.9518 8.9901 8.9901 8.9938 8.9938 10.1795 10.1795 10.2514 10.2514 10.2670 10.2670 k = 0.0439 0.0439 0.0439 ( 3083 PWs) bands (ev): -33.0942 -33.0942 -32.9748 -32.9748 -32.9748 -32.9748 -14.1621 -14.1621 -14.1609 -14.1609 -13.8276 -13.8276 -12.8975 -12.8975 -12.7175 -12.7175 -12.7154 -12.7154 -12.5332 -12.5332 -12.3286 -12.3286 -12.3209 -12.3209 3.3783 3.3783 6.7977 6.7977 8.4532 8.4532 8.4552 8.4552 8.9365 8.9365 8.9982 8.9982 9.0020 9.0020 10.1550 10.1550 10.2662 10.2662 10.2813 10.2813 k = 0.0526 0.0526 0.0526 ( 3080 PWs) bands (ev): -33.0936 -33.0936 -32.9751 -32.9751 -32.9751 -32.9751 -14.1613 -14.1613 -14.1595 -14.1595 -13.8293 -13.8293 -12.8955 -12.8955 -12.7173 -12.7173 -12.7144 -12.7144 -12.5338 -12.5338 -12.3327 -12.3327 -12.3218 -12.3218 3.3976 3.3976 6.8118 6.8118 8.4431 8.4431 8.4458 8.4458 8.9173 8.9173 9.0083 9.0083 9.0124 9.0124 10.1279 10.1279 10.2838 10.2838 10.2986 10.2986 k = 0.0614 0.0614 0.0614 ( 3080 PWs) bands (ev): -33.0928 -33.0928 -32.9755 -32.9755 -32.9755 -32.9755 -14.1603 -14.1603 -14.1578 -14.1578 -13.8314 -13.8314 -12.8932 -12.8932 -12.7171 -12.7171 -12.7131 -12.7131 -12.5343 -12.5343 -12.3376 -12.3376 -12.3228 -12.3228 3.4202 3.4202 6.8280 6.8280 8.4314 8.4314 8.4350 8.4350 8.8938 8.8938 9.0205 9.0205 9.0248 9.0248 10.0995 10.0995 10.3038 10.3038 10.3185 10.3185 k = 0.0702 0.0702 0.0702 ( 3086 PWs) bands (ev): -33.0920 -33.0920 -32.9759 -32.9759 -32.9759 -32.9759 -14.1592 -14.1592 -14.1560 -14.1560 -13.8337 -13.8337 -12.8905 -12.8905 -12.7170 -12.7170 -12.7116 -12.7116 -12.5349 -12.5349 -12.3432 -12.3432 -12.3239 -12.3239 3.4462 3.4462 6.8464 6.8464 8.4182 8.4182 8.4228 8.4228 8.8659 8.8659 9.0348 9.0348 9.0393 9.0393 10.0714 10.0714 10.3260 10.3260 10.3406 10.3406 k = 0.0789 0.0789 0.0789 ( 3086 PWs) bands (ev): -33.0910 -33.0910 -32.9764 -32.9764 -32.9764 -32.9764 -14.1579 -14.1579 -14.1540 -14.1540 -13.8364 -13.8364 -12.8875 -12.8875 -12.7169 -12.7169 -12.7100 -12.7100 -12.5355 -12.5355 -12.3494 -12.3494 -12.3252 -12.3252 3.4754 3.4754 6.8667 6.8667 8.4037 8.4037 8.4094 8.4094 8.8337 8.8337 9.0512 9.0512 9.0559 9.0559 10.0447 10.0447 10.3500 10.3500 10.3645 10.3645 k = 0.0877 0.0877 0.0877 ( 3083 PWs) bands (ev): -33.0899 -33.0899 -32.9770 -32.9770 -32.9770 -32.9770 -14.1566 -14.1566 -14.1517 -14.1517 -13.8393 -13.8393 -12.8843 -12.8843 -12.7168 -12.7168 -12.7081 -12.7081 -12.5361 -12.5361 -12.3562 -12.3562 -12.3266 -12.3266 3.5079 3.5079 6.8886 6.8886 8.3881 8.3881 8.3950 8.3950 8.7972 8.7972 9.0697 9.0697 9.0746 9.0746 10.0203 10.0203 10.3754 10.3754 10.3899 10.3899 k = 0.0965 0.0965 0.0965 ( 3083 PWs) bands (ev): -33.0886 -33.0886 -32.9776 -32.9776 -32.9776 -32.9776 -14.1551 -14.1551 -14.1494 -14.1494 -13.8426 -13.8426 -12.8808 -12.8808 -12.7168 -12.7168 -12.7061 -12.7061 -12.5365 -12.5365 -12.3635 -12.3635 -12.3280 -12.3280 3.5434 3.5434 6.9119 6.9119 8.3716 8.3716 8.3797 8.3797 8.7569 8.7569 9.0903 9.0903 9.0954 9.0954 9.9990 9.9990 10.4018 10.4018 10.4163 10.4163 k = 0.1053 0.1053 0.1053 ( 3083 PWs) bands (ev): -33.0873 -33.0873 -32.9782 -32.9782 -32.9782 -32.9782 -14.1536 -14.1536 -14.1468 -14.1468 -13.8462 -13.8462 -12.8770 -12.8770 -12.7168 -12.7168 -12.7038 -12.7038 -12.5369 -12.5369 -12.3714 -12.3714 -12.3296 -12.3296 3.5818 3.5818 6.9362 6.9362 8.3544 8.3544 8.3637 8.3637 8.7133 8.7133 9.1128 9.1128 9.1181 9.1181 9.9813 9.9813 10.4287 10.4287 10.4433 10.4433 k = 0.1140 0.1140 0.1140 ( 3089 PWs) bands (ev): -33.0859 -33.0859 -32.9789 -32.9789 -32.9789 -32.9789 -14.1520 -14.1520 -14.1441 -14.1441 -13.8501 -13.8501 -12.8730 -12.8730 -12.7170 -12.7170 -12.7013 -12.7013 -12.5371 -12.5371 -12.3797 -12.3797 -12.3312 -12.3312 3.6232 3.6232 6.9610 6.9610 8.3367 8.3367 8.3472 8.3472 8.6672 8.6672 9.1371 9.1371 9.1426 9.1426 9.9672 9.9672 10.4557 10.4557 10.4704 10.4704 k = 0.1228 0.1228 0.1228 ( 3101 PWs) bands (ev): -33.0845 -33.0845 -32.9797 -32.9797 -32.9797 -32.9797 -14.1503 -14.1503 -14.1413 -14.1413 -13.8543 -13.8543 -12.8688 -12.8688 -12.7173 -12.7173 -12.6987 -12.6987 -12.5371 -12.5371 -12.3884 -12.3884 -12.3329 -12.3329 3.6673 3.6673 6.9860 6.9860 8.3186 8.3186 8.3305 8.3305 8.6197 8.6197 9.1632 9.1632 9.1688 9.1688 9.9568 9.9568 10.4821 10.4821 10.4970 10.4970 k = 0.1316 0.1316 0.1316 ( 3104 PWs) bands (ev): -33.0829 -33.0829 -32.9805 -32.9805 -32.9805 -32.9805 -14.1486 -14.1486 -14.1384 -14.1384 -13.8588 -13.8588 -12.8644 -12.8644 -12.7178 -12.7178 -12.6959 -12.6959 -12.5368 -12.5368 -12.3975 -12.3975 -12.3347 -12.3347 3.7140 3.7140 7.0104 7.0104 8.3004 8.3004 8.3136 8.3136 8.5720 8.5720 9.1907 9.1907 9.1965 9.1965 9.9498 9.9498 10.5075 10.5075 10.5226 10.5226 k = 0.1404 0.1404 0.1404 ( 3086 PWs) bands (ev): -33.0812 -33.0812 -32.9813 -32.9813 -32.9813 -32.9813 -14.1468 -14.1468 -14.1354 -14.1354 -13.8636 -13.8636 -12.8599 -12.8599 -12.7185 -12.7185 -12.6928 -12.6928 -12.5363 -12.5363 -12.4069 -12.4069 -12.3364 -12.3364 3.7632 3.7632 7.0336 7.0336 8.2823 8.2823 8.2968 8.2968 8.5254 8.5254 9.2195 9.2195 9.2254 9.2254 9.9461 9.9461 10.5313 10.5313 10.5466 10.5466 k = 0.1491 0.1491 0.1491 ( 3092 PWs) bands (ev): -33.0794 -33.0794 -32.9821 -32.9821 -32.9821 -32.9821 -14.1450 -14.1450 -14.1324 -14.1324 -13.8687 -13.8687 -12.8552 -12.8552 -12.7193 -12.7193 -12.6896 -12.6896 -12.5354 -12.5354 -12.4165 -12.4165 -12.3382 -12.3382 3.8146 3.8146 7.0549 7.0549 8.2643 8.2643 8.2801 8.2801 8.4813 8.4813 9.2494 9.2494 9.2554 9.2554 9.9452 9.9452 10.5529 10.5529 10.5685 10.5685 k = 0.1579 0.1579 0.1579 ( 3098 PWs) bands (ev): -33.0776 -33.0776 -32.9831 -32.9831 -32.9831 -32.9831 -14.1432 -14.1432 -14.1293 -14.1293 -13.8741 -13.8741 -12.8505 -12.8505 -12.7204 -12.7204 -12.6862 -12.6862 -12.5342 -12.5342 -12.4262 -12.4262 -12.3400 -12.3400 3.8681 3.8681 7.0732 7.0732 8.2467 8.2467 8.2638 8.2638 8.4412 8.4412 9.2799 9.2799 9.2860 9.2860 9.9466 9.9466 10.5718 10.5718 10.5877 10.5877 k = 0.1667 0.1667 0.1667 ( 3092 PWs) bands (ev): -33.0756 -33.0756 -32.9840 -32.9840 -32.9840 -32.9840 -14.1414 -14.1414 -14.1262 -14.1262 -13.8798 -13.8798 -12.8458 -12.8458 -12.7218 -12.7218 -12.6827 -12.6827 -12.5326 -12.5326 -12.4361 -12.4361 -12.3417 -12.3417 3.9235 3.9235 7.0879 7.0879 8.2296 8.2296 8.2480 8.2480 8.4066 8.4066 9.3108 9.3108 9.3169 9.3169 9.9501 9.9501 10.5874 10.5874 10.6036 10.6036 k = 0.1754 0.1754 0.1754 ( 3104 PWs) bands (ev): -33.0737 -33.0737 -32.9850 -32.9850 -32.9850 -32.9850 -14.1397 -14.1397 -14.1231 -14.1231 -13.8857 -13.8857 -12.8411 -12.8411 -12.7234 -12.7234 -12.6790 -12.6790 -12.5305 -12.5305 -12.4460 -12.4460 -12.3434 -12.3434 3.9805 3.9805 7.0979 7.0979 8.2130 8.2130 8.2327 8.2327 8.3788 8.3788 9.3416 9.3416 9.3477 9.3477 9.9551 9.9551 10.5996 10.5996 10.6160 10.6160 k = 0.1842 0.1842 0.1842 ( 3098 PWs) bands (ev): -33.0716 -33.0716 -32.9860 -32.9860 -32.9860 -32.9860 -14.1379 -14.1379 -14.1200 -14.1200 -13.8920 -13.8920 -12.8364 -12.8364 -12.7253 -12.7253 -12.6751 -12.6751 -12.5280 -12.5280 -12.4558 -12.4558 -12.3451 -12.3451 4.0389 4.0389 7.1027 7.1027 8.1970 8.1970 8.2180 8.2180 8.3591 8.3591 9.3719 9.3719 9.3778 9.3778 9.9613 9.9613 10.6080 10.6080 10.6246 10.6246 k = 0.1930 0.1930 0.1930 ( 3098 PWs) bands (ev): -33.0696 -33.0696 -32.9870 -32.9870 -32.9870 -32.9870 -14.1362 -14.1362 -14.1170 -14.1170 -13.8984 -13.8984 -12.8318 -12.8318 -12.7275 -12.7275 -12.6710 -12.6710 -12.5250 -12.5250 -12.4655 -12.4655 -12.3466 -12.3466 4.0983 4.0983 7.1019 7.1019 8.1818 8.1818 8.2041 8.2041 8.3483 8.3483 9.4009 9.4009 9.4068 9.4068 9.9683 9.9683 10.6127 10.6127 10.6295 10.6295 k = 0.2018 0.2018 0.2018 ( 3101 PWs) bands (ev): -33.0675 -33.0675 -32.9880 -32.9880 -32.9880 -32.9880 -14.1346 -14.1346 -14.1140 -14.1140 -13.9051 -13.9051 -12.8274 -12.8274 -12.7299 -12.7299 -12.6669 -12.6669 -12.5216 -12.5216 -12.4751 -12.4751 -12.3481 -12.3481 4.1586 4.1586 7.0954 7.0954 8.1675 8.1675 8.1910 8.1910 8.3469 8.3469 9.4281 9.4281 9.4337 9.4337 9.9758 9.9758 10.6140 10.6140 10.6309 10.6309 k = 0.2105 0.2105 0.2105 ( 3098 PWs) bands (ev): -33.0653 -33.0653 -32.9891 -32.9891 -32.9891 -32.9891 -14.1330 -14.1330 -14.1111 -14.1111 -13.9120 -13.9120 -12.8232 -12.8232 -12.7326 -12.7326 -12.6626 -12.6626 -12.5177 -12.5177 -12.4843 -12.4843 -12.3495 -12.3495 4.2193 4.2193 7.0837 7.0837 8.1539 8.1539 8.1787 8.1787 8.3547 8.3547 9.4526 9.4526 9.4580 9.4580 9.9834 9.9834 10.6127 10.6127 10.6295 10.6295 k = 0.2193 0.2193 0.2193 ( 3098 PWs) bands (ev): -33.0630 -33.0630 -32.9902 -32.9902 -32.9902 -32.9902 -14.1315 -14.1315 -14.1083 -14.1083 -13.9192 -13.9192 -12.8192 -12.8192 -12.7356 -12.7356 -12.6582 -12.6582 -12.5137 -12.5137 -12.4929 -12.4929 -12.3508 -12.3508 4.2800 4.2800 7.0677 7.0677 8.1413 8.1413 8.1672 8.1672 8.3713 8.3713 9.4735 9.4735 9.4786 9.4786 9.9909 9.9909 10.6097 10.6097 10.6263 10.6263 k = 0.2281 0.2281 0.2281 ( 3097 PWs) bands (ev): -33.0608 -33.0608 -32.9912 -32.9912 -32.9912 -32.9912 -14.1300 -14.1300 -14.1056 -14.1056 -13.9265 -13.9265 -12.8155 -12.8155 -12.7388 -12.7388 -12.6537 -12.6537 -12.5104 -12.5104 -12.4998 -12.4998 -12.3519 -12.3519 4.3403 4.3403 7.0484 7.0484 8.1295 8.1295 8.1566 8.1566 8.3961 8.3961 9.4901 9.4901 9.4947 9.4947 9.9981 9.9981 10.6061 10.6061 10.6224 10.6224 k = 0.2368 0.2368 0.2368 ( 3103 PWs) bands (ev): -33.0586 -33.0586 -32.9924 -32.9924 -32.9924 -32.9924 -14.1287 -14.1287 -14.1030 -14.1030 -13.9339 -13.9339 -12.8122 -12.8122 -12.7423 -12.7423 -12.6492 -12.6492 -12.5131 -12.5131 -12.5000 -12.5000 -12.3529 -12.3529 4.3997 4.3997 7.0271 7.0271 8.1187 8.1187 8.1469 8.1469 8.4279 8.4279 9.5013 9.5013 9.5053 9.5053 10.0049 10.0049 10.6034 10.6034 10.6193 10.6193 k = 0.2456 0.2456 0.2456 ( 3115 PWs) bands (ev): -33.0563 -33.0563 -32.9935 -32.9935 -32.9935 -32.9935 -14.1275 -14.1275 -14.1005 -14.1005 -13.9415 -13.9415 -12.8093 -12.8093 -12.7459 -12.7459 -12.6446 -12.6446 -12.5198 -12.5198 -12.4952 -12.4952 -12.3538 -12.3538 4.4578 4.4578 7.0052 7.0052 8.1087 8.1087 8.1380 8.1380 8.4658 8.4658 9.5063 9.5063 9.5097 9.5097 10.0112 10.0112 10.6029 10.6029 10.6183 10.6183 k = 0.2544 0.2544 0.2544 ( 3115 PWs) bands (ev): -33.0541 -33.0541 -32.9946 -32.9946 -32.9946 -32.9946 -14.1263 -14.1263 -14.0982 -14.0982 -13.9492 -13.9492 -12.8069 -12.8069 -12.7495 -12.7495 -12.6399 -12.6399 -12.5267 -12.5267 -12.4893 -12.4893 -12.3544 -12.3544 4.5140 4.5140 6.9842 6.9842 8.0996 8.0996 8.1298 8.1298 8.5086 8.5086 9.5046 9.5046 9.5072 9.5072 10.0169 10.0169 10.6059 10.6059 10.6207 10.6207 k = 0.2632 0.2632 0.2632 ( 3109 PWs) bands (ev): -33.0517 -33.0517 -32.9957 -32.9957 -32.9957 -32.9957 -14.1253 -14.1253 -14.0960 -14.0960 -13.9570 -13.9570 -12.8050 -12.8050 -12.7532 -12.7532 -12.6353 -12.6353 -12.5332 -12.5332 -12.4828 -12.4828 -12.3549 -12.3549 4.5677 4.5677 6.9653 6.9653 8.0914 8.0914 8.1224 8.1224 8.5551 8.5551 9.4959 9.4959 9.4976 9.4976 10.0221 10.0221 10.6132 10.6132 10.6275 10.6275 k = 0.2719 0.2719 0.2719 ( 3115 PWs) bands (ev): -33.0495 -33.0495 -32.9968 -32.9968 -32.9968 -32.9968 -14.1244 -14.1244 -14.0940 -14.0940 -13.9648 -13.9648 -12.8039 -12.8039 -12.7569 -12.7569 -12.6306 -12.6306 -12.5392 -12.5392 -12.4758 -12.4758 -12.3552 -12.3552 4.6184 4.6184 6.9497 6.9497 8.0839 8.0839 8.1157 8.1157 8.6045 8.6045 9.4804 9.4804 9.4809 9.4809 10.0269 10.0269 10.6254 10.6254 10.6392 10.6392 k = 0.2807 0.2807 0.2807 ( 3109 PWs) bands (ev): -33.0473 -33.0473 -32.9979 -32.9979 -32.9979 -32.9979 -14.1237 -14.1237 -14.0921 -14.0921 -13.9726 -13.9726 -12.8034 -12.8034 -12.7603 -12.7603 -12.6260 -12.6260 -12.5446 -12.5446 -12.4686 -12.4686 -12.3553 -12.3553 4.6654 4.6654 6.9386 6.9386 8.0772 8.0772 8.1095 8.1095 8.6555 8.6555 9.4578 9.4578 9.4584 9.4584 10.0316 10.0316 10.6425 10.6425 10.6559 10.6559 k = 0.2895 0.2895 0.2895 ( 3115 PWs) bands (ev): -33.0450 -33.0450 -32.9990 -32.9990 -32.9990 -32.9990 -14.1231 -14.1231 -14.0903 -14.0903 -13.9804 -13.9804 -12.8039 -12.8039 -12.7634 -12.7634 -12.6215 -12.6215 -12.5494 -12.5494 -12.4611 -12.4611 -12.3552 -12.3552 4.7084 4.7084 6.9328 6.9328 8.0711 8.0711 8.1039 8.1039 8.7073 8.7073 9.4289 9.4289 9.4308 9.4308 10.0365 10.0365 10.6642 10.6642 10.6774 10.6774 k = 0.2982 0.2982 0.2982 ( 3115 PWs) bands (ev): -33.0429 -33.0429 -33.0000 -33.0000 -33.0000 -33.0000 -14.1226 -14.1226 -14.0887 -14.0887 -13.9882 -13.9882 -12.8052 -12.8052 -12.7660 -12.7660 -12.6170 -12.6170 -12.5536 -12.5536 -12.4534 -12.4534 -12.3549 -12.3549 4.7468 4.7468 6.9331 6.9331 8.0656 8.0656 8.0986 8.0986 8.7589 8.7589 9.3953 9.3953 9.3986 9.3986 10.0419 10.0419 10.6900 10.6900 10.7032 10.7032 k = 0.3070 0.3070 0.3070 ( 3112 PWs) bands (ev): -33.0407 -33.0407 -33.0011 -33.0011 -33.0011 -33.0011 -14.1223 -14.1223 -14.0873 -14.0873 -13.9958 -13.9958 -12.8075 -12.8075 -12.7682 -12.7682 -12.6127 -12.6127 -12.5571 -12.5571 -12.4455 -12.4455 -12.3544 -12.3544 4.7803 4.7803 6.9402 6.9402 8.0606 8.0606 8.0936 8.0936 8.8093 8.8093 9.3580 9.3580 9.3630 9.3630 10.0483 10.0483 10.7192 10.7192 10.7325 10.7325 k = 0.3158 0.3158 0.3158 ( 3112 PWs) bands (ev): -33.0386 -33.0386 -33.0021 -33.0021 -33.0021 -33.0021 -14.1222 -14.1222 -14.0860 -14.0860 -14.0033 -14.0033 -12.8106 -12.8106 -12.7699 -12.7699 -12.6085 -12.6085 -12.5601 -12.5601 -12.4375 -12.4375 -12.3537 -12.3537 4.8087 4.8087 6.9543 6.9543 8.0560 8.0560 8.0887 8.0887 8.8574 8.8574 9.3182 9.3182 9.3249 9.3249 10.0563 10.0563 10.7510 10.7510 10.7646 10.7646 k = 0.3246 0.3246 0.3246 ( 3100 PWs) bands (ev): -33.0365 -33.0365 -33.0030 -33.0030 -33.0030 -33.0030 -14.1222 -14.1222 -14.0849 -14.0849 -14.0106 -14.0106 -12.8143 -12.8143 -12.7713 -12.7713 -12.6044 -12.6044 -12.5626 -12.5626 -12.4295 -12.4295 -12.3528 -12.3528 4.8318 4.8318 6.9757 6.9757 8.0516 8.0516 8.0839 8.0839 8.9023 8.9023 9.2767 9.2767 9.2856 9.2856 10.0664 10.0664 10.7846 10.7846 10.7987 10.7987 k = 0.3333 0.3333 0.3333 ( 3085 PWs) bands (ev): -33.0345 -33.0345 -33.0039 -33.0039 -33.0039 -33.0039 -14.1224 -14.1224 -14.0838 -14.0838 -14.0177 -14.0177 -12.8186 -12.8186 -12.7725 -12.7725 -12.6004 -12.6004 -12.5646 -12.5646 -12.4214 -12.4214 -12.3518 -12.3518 4.8498 4.8498 7.0043 7.0043 8.0473 8.0473 8.0789 8.0789 8.9430 8.9430 9.2347 9.2347 9.2459 9.2459 10.0793 10.0793 10.8192 10.8192 10.8339 10.8339 k = 0.3421 0.3421 0.3421 ( 3091 PWs) bands (ev): -33.0326 -33.0326 -33.0049 -33.0049 -33.0049 -33.0049 -14.1228 -14.1228 -14.0830 -14.0830 -14.0246 -14.0246 -12.8232 -12.8232 -12.7734 -12.7734 -12.5967 -12.5967 -12.5661 -12.5661 -12.4134 -12.4134 -12.3506 -12.3506 4.8630 4.8630 7.0398 7.0398 8.0431 8.0431 8.0737 8.0737 8.9786 8.9786 9.1928 9.1928 9.2068 9.2068 10.0954 10.0954 10.8542 10.8542 10.8697 10.8697 k = 0.3509 0.3509 0.3509 ( 3091 PWs) bands (ev): -33.0307 -33.0307 -33.0058 -33.0058 -33.0058 -33.0058 -14.1233 -14.1233 -14.0822 -14.0822 -14.0311 -14.0311 -12.8279 -12.8279 -12.7743 -12.7743 -12.5932 -12.5932 -12.5673 -12.5673 -12.4056 -12.4056 -12.3492 -12.3492 4.8716 4.8716 7.0819 7.0819 8.0388 8.0388 8.0681 8.0681 9.0080 9.0080 9.1518 9.1518 9.1693 9.1693 10.1151 10.1151 10.8888 10.8888 10.9053 10.9053 k = 0.3596 0.3596 0.3596 ( 3103 PWs) bands (ev): -33.0289 -33.0289 -33.0067 -33.0067 -33.0067 -33.0067 -14.1241 -14.1241 -14.0816 -14.0816 -14.0372 -14.0372 -12.8328 -12.8328 -12.7751 -12.7751 -12.5898 -12.5898 -12.5680 -12.5680 -12.3978 -12.3978 -12.3477 -12.3477 4.8762 4.8762 7.1298 7.1298 8.0343 8.0343 8.0620 8.0620 9.0301 9.0301 9.1122 9.1122 9.1345 9.1345 10.1388 10.1388 10.9227 10.9227 10.9402 10.9402 k = 0.3684 0.3684 0.3684 ( 3109 PWs) bands (ev): -33.0272 -33.0272 -33.0075 -33.0075 -33.0075 -33.0075 -14.1250 -14.1250 -14.0810 -14.0810 -14.0430 -14.0430 -12.8377 -12.8377 -12.7759 -12.7759 -12.5867 -12.5867 -12.5685 -12.5685 -12.3903 -12.3903 -12.3461 -12.3461 4.8773 4.8773 7.1830 7.1830 8.0295 8.0295 8.0555 8.0555 9.0426 9.0426 9.0746 9.0746 9.1048 9.1048 10.1664 10.1664 10.9552 10.9552 10.9739 10.9739 k = 0.3772 0.3772 0.3772 ( 3103 PWs) bands (ev): -33.0256 -33.0256 -33.0083 -33.0083 -33.0083 -33.0083 -14.1262 -14.1262 -14.0806 -14.0806 -14.0483 -14.0483 -12.8425 -12.8425 -12.7766 -12.7766 -12.5837 -12.5837 -12.5687 -12.5687 -12.3830 -12.3830 -12.3444 -12.3444 4.8754 4.8754 7.2406 7.2406 8.0245 8.0245 8.0483 8.0483 9.0393 9.0393 9.0397 9.0397 9.0865 9.0865 10.1978 10.1978 10.9860 10.9860 11.0059 11.0059 k = 0.3860 0.3860 0.3860 ( 3112 PWs) bands (ev): -33.0241 -33.0241 -33.0090 -33.0090 -33.0090 -33.0090 -14.1275 -14.1275 -14.0802 -14.0802 -14.0532 -14.0532 -12.8471 -12.8471 -12.7774 -12.7774 -12.5810 -12.5810 -12.5687 -12.5687 -12.3760 -12.3760 -12.3427 -12.3427 4.8712 4.8712 7.3018 7.3018 8.0191 8.0191 8.0407 8.0407 9.0067 9.0067 9.0211 9.0211 9.0801 9.0801 10.2324 10.2324 11.0148 11.0148 11.0359 11.0359 k = 0.3947 0.3947 0.3947 ( 3112 PWs) bands (ev): -33.0226 -33.0226 -33.0098 -33.0098 -33.0098 -33.0098 -14.1290 -14.1290 -14.0799 -14.0799 -14.0576 -14.0576 -12.8516 -12.8516 -12.7781 -12.7781 -12.5785 -12.5785 -12.5686 -12.5686 -12.3693 -12.3693 -12.3409 -12.3409 4.8652 4.8652 7.3658 7.3658 8.0133 8.0133 8.0325 8.0325 8.9769 8.9769 8.9980 8.9980 9.0748 9.0748 10.2696 10.2696 11.0414 11.0414 11.0637 11.0637 k = 0.4035 0.4035 0.4035 ( 3112 PWs) bands (ev): -33.0212 -33.0212 -33.0104 -33.0104 -33.0104 -33.0104 -14.1306 -14.1306 -14.0797 -14.0797 -14.0616 -14.0616 -12.8558 -12.8558 -12.7788 -12.7788 -12.5763 -12.5763 -12.5683 -12.5683 -12.3631 -12.3631 -12.3391 -12.3391 4.8579 4.8579 7.4316 7.4316 8.0073 8.0073 8.0239 8.0239 8.9500 8.9500 8.9756 8.9756 9.0662 9.0662 10.3085 10.3085 11.0656 11.0656 11.0890 11.0890 k = 0.4123 0.4123 0.4123 ( 3106 PWs) bands (ev): -33.0200 -33.0200 -33.0110 -33.0110 -33.0110 -33.0110 -14.1323 -14.1323 -14.0796 -14.0796 -14.0650 -14.0650 -12.8598 -12.8598 -12.7795 -12.7795 -12.5742 -12.5742 -12.5679 -12.5679 -12.3572 -12.3572 -12.3374 -12.3374 4.8498 4.8498 7.4984 7.4984 8.0010 8.0010 8.0151 8.0151 8.9261 8.9261 8.9551 8.9551 9.0535 9.0535 10.3483 10.3483 11.0874 11.0874 11.1117 11.1117 k = 0.4211 0.4211 0.4211 ( 3103 PWs) bands (ev): -33.0188 -33.0188 -33.0115 -33.0115 -33.0115 -33.0115 -14.1341 -14.1341 -14.0794 -14.0794 -14.0681 -14.0681 -12.8634 -12.8634 -12.7801 -12.7801 -12.5724 -12.5724 -12.5675 -12.5675 -12.3518 -12.3518 -12.3357 -12.3357 4.8413 4.8413 7.5652 7.5652 7.9946 7.9946 8.0062 8.0062 8.9051 8.9051 8.9367 8.9367 9.0373 9.0373 10.3881 10.3881 11.1067 11.1067 11.1318 11.1318 k = 0.4298 0.4298 0.4298 ( 3115 PWs) bands (ev): -33.0178 -33.0178 -33.0120 -33.0120 -33.0120 -33.0120 -14.1359 -14.1359 -14.0794 -14.0794 -14.0707 -14.0707 -12.8667 -12.8667 -12.7807 -12.7807 -12.5707 -12.5707 -12.5671 -12.5671 -12.3468 -12.3468 -12.3342 -12.3342 4.8327 4.8327 7.6309 7.6309 7.9882 7.9882 7.9974 7.9974 8.8869 8.8869 8.9201 8.9201 9.0185 9.0185 10.4268 10.4268 11.1236 11.1236 11.1491 11.1491 k = 0.4386 0.4386 0.4386 ( 3109 PWs) bands (ev): -33.0169 -33.0169 -33.0125 -33.0125 -33.0125 -33.0125 -14.1376 -14.1376 -14.0793 -14.0793 -14.0728 -14.0728 -12.8697 -12.8697 -12.7813 -12.7813 -12.5693 -12.5693 -12.5666 -12.5666 -12.3424 -12.3424 -12.3327 -12.3327 4.8245 4.8245 7.6944 7.6944 7.9821 7.9821 7.9890 7.9890 8.8714 8.8714 8.9050 8.9050 8.9980 8.9980 10.4637 10.4637 11.1381 11.1381 11.1636 11.1636 k = 0.4474 0.4474 0.4474 ( 3115 PWs) bands (ev): -33.0161 -33.0161 -33.0128 -33.0128 -33.0128 -33.0128 -14.1392 -14.1392 -14.0793 -14.0793 -14.0747 -14.0747 -12.8724 -12.8724 -12.7817 -12.7817 -12.5681 -12.5681 -12.5662 -12.5662 -12.3385 -12.3385 -12.3314 -12.3314 4.8168 4.8168 7.7546 7.7546 7.9763 7.9763 7.9811 7.9811 8.8585 8.8585 8.8907 8.8907 8.9775 8.9775 10.4977 10.4977 11.1504 11.1504 11.1751 11.1751 k = 0.4561 0.4561 0.4561 ( 3115 PWs) bands (ev): -33.0155 -33.0155 -33.0132 -33.0132 -33.0132 -33.0132 -14.1407 -14.1407 -14.0793 -14.0793 -14.0762 -14.0762 -12.8746 -12.8746 -12.7821 -12.7821 -12.5671 -12.5671 -12.5658 -12.5658 -12.3352 -12.3352 -12.3302 -12.3302 4.8100 4.8100 7.8100 7.8100 7.9710 7.9710 7.9741 7.9741 8.8480 8.8480 8.8766 8.8766 8.9585 8.9585 10.5281 10.5281 11.1605 11.1605 11.1833 11.1833 k = 0.4649 0.4649 0.4649 ( 3121 PWs) bands (ev): -33.0149 -33.0149 -33.0134 -33.0134 -33.0134 -33.0134 -14.1420 -14.1420 -14.0793 -14.0793 -14.0773 -14.0773 -12.8764 -12.8764 -12.7825 -12.7825 -12.5662 -12.5662 -12.5654 -12.5654 -12.3324 -12.3324 -12.3292 -12.3292 4.8041 4.8041 7.8590 7.8590 7.9664 7.9664 7.9680 7.9680 8.8396 8.8396 8.8624 8.8624 8.9425 8.9425 10.5541 10.5541 11.1686 11.1686 11.1875 11.1875 k = 0.4737 0.4737 0.4737 ( 3112 PWs) bands (ev): -33.0145 -33.0145 -33.0136 -33.0136 -33.0136 -33.0136 -14.1430 -14.1430 -14.0793 -14.0793 -14.0782 -14.0782 -12.8779 -12.8779 -12.7828 -12.7828 -12.5656 -12.5656 -12.5651 -12.5651 -12.3302 -12.3302 -12.3285 -12.3285 4.7994 4.7994 7.9000 7.9000 7.9627 7.9627 7.9631 7.9631 8.8333 8.8333 8.8486 8.8486 8.9304 8.9304 10.5751 10.5751 11.1747 11.1747 11.1879 11.1879 k = 0.4825 0.4825 0.4825 ( 3112 PWs) bands (ev): -33.0142 -33.0142 -33.0138 -33.0138 -33.0138 -33.0138 -14.1437 -14.1437 -14.0793 -14.0793 -14.0788 -14.0788 -12.8789 -12.8789 -12.7830 -12.7830 -12.5651 -12.5651 -12.5649 -12.5649 -12.3287 -12.3287 -12.3279 -12.3279 4.7959 4.7959 7.9310 7.9310 7.9595 7.9595 7.9600 7.9600 8.8289 8.8289 8.8366 8.8366 8.9222 8.9222 10.5905 10.5905 11.1791 11.1791 11.1857 11.1857 k = 0.4912 0.4912 0.4912 ( 3112 PWs) bands (ev): -33.0140 -33.0140 -33.0139 -33.0139 -33.0139 -33.0139 -14.1442 -14.1442 -14.0793 -14.0793 -14.0792 -14.0792 -12.8796 -12.8796 -12.7831 -12.7831 -12.5649 -12.5649 -12.5648 -12.5648 -12.3278 -12.3278 -12.3276 -12.3276 4.7938 4.7938 7.9504 7.9504 7.9574 7.9574 7.9583 7.9583 8.8263 8.8263 8.8284 8.8284 8.9176 8.9176 10.5999 10.5999 11.1816 11.1816 11.1834 11.1834 k = 0.5000 0.5000 0.5000 ( 3112 PWs) bands (ev): -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -14.1443 -14.1443 -14.0793 -14.0793 -14.0793 -14.0793 -12.8798 -12.8798 -12.7831 -12.7831 -12.5648 -12.5648 -12.5648 -12.5648 -12.3274 -12.3274 -12.3274 -12.3274 4.7931 4.7931 7.9559 7.9559 7.9577 7.9577 7.9577 7.9577 8.8255 8.8255 8.8255 8.8255 8.9161 8.9161 10.6030 10.6030 11.1825 11.1825 11.1825 11.1825 k = 0.5000 0.5000 0.5000 ( 3112 PWs) bands (ev): -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -14.1443 -14.1443 -14.0793 -14.0793 -14.0793 -14.0793 -12.8798 -12.8798 -12.7831 -12.7831 -12.5648 -12.5648 -12.5648 -12.5648 -12.3274 -12.3274 -12.3274 -12.3274 4.7931 4.7931 7.9559 7.9559 7.9577 7.9577 7.9577 7.9577 8.8255 8.8255 8.8255 8.8255 8.9161 8.9161 10.6030 10.6030 11.1825 11.1825 11.1825 11.1825 k = 0.4894 0.5000 0.4894 ( 3112 PWs) bands (ev): -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -14.1442 -14.1442 -14.0793 -14.0793 -14.0792 -14.0792 -12.8796 -12.8796 -12.7831 -12.7831 -12.5649 -12.5649 -12.5648 -12.5648 -12.3277 -12.3277 -12.3276 -12.3276 4.7938 4.7938 7.9521 7.9521 7.9543 7.9543 7.9598 7.9598 8.8262 8.8262 8.8285 8.8285 8.9176 8.9176 10.5999 10.5999 11.1817 11.1817 11.1834 11.1834 k = 0.4787 0.5000 0.4787 ( 3112 PWs) bands (ev): -33.0141 -33.0141 -33.0139 -33.0139 -33.0137 -33.0137 -14.1437 -14.1437 -14.0793 -14.0793 -14.0789 -14.0789 -12.8789 -12.8789 -12.7830 -12.7830 -12.5651 -12.5651 -12.5649 -12.5649 -12.3286 -12.3286 -12.3279 -12.3279 4.7959 4.7959 7.9386 7.9386 7.9449 7.9449 7.9673 7.9673 8.8280 8.8280 8.8372 8.8372 8.9222 8.9222 10.5907 10.5907 11.1793 11.1793 11.1856 11.1856 k = 0.4681 0.5000 0.4681 ( 3112 PWs) bands (ev): -33.0143 -33.0143 -33.0139 -33.0139 -33.0135 -33.0135 -14.1430 -14.1430 -14.0793 -14.0793 -14.0783 -14.0783 -12.8779 -12.8779 -12.7828 -12.7828 -12.5656 -12.5656 -12.5651 -12.5651 -12.3301 -12.3301 -12.3286 -12.3286 4.7993 4.7993 7.9166 7.9166 7.9299 7.9299 7.9800 7.9800 8.8301 8.8301 8.8512 8.8512 8.9302 8.9302 10.5756 10.5756 11.1753 11.1753 11.1879 11.1879 k = 0.4574 0.5000 0.4574 ( 3120 PWs) bands (ev): -33.0147 -33.0147 -33.0139 -33.0139 -33.0132 -33.0132 -14.1420 -14.1420 -14.0792 -14.0792 -14.0775 -14.0775 -12.8765 -12.8765 -12.7825 -12.7825 -12.5662 -12.5662 -12.5654 -12.5654 -12.3321 -12.3321 -12.3294 -12.3294 4.8040 4.8040 7.8872 7.8872 7.9098 7.9098 7.9976 7.9976 8.8316 8.8316 8.8697 8.8697 8.9421 8.9421 10.5551 10.5551 11.1695 11.1695 11.1883 11.1883 k = 0.4468 0.5000 0.4468 ( 3116 PWs) bands (ev): -33.0150 -33.0150 -33.0139 -33.0139 -33.0128 -33.0128 -14.1407 -14.1407 -14.0791 -14.0791 -14.0765 -14.0765 -12.8747 -12.8747 -12.7822 -12.7822 -12.5670 -12.5670 -12.5657 -12.5657 -12.3346 -12.3346 -12.3306 -12.3306 4.8098 4.8098 7.8514 7.8514 7.8853 7.8853 8.0203 8.0203 8.8318 8.8318 8.8917 8.8917 8.9577 8.9577 10.5296 10.5296 11.1620 11.1620 11.1853 11.1853 k = 0.4362 0.5000 0.4362 ( 3112 PWs) bands (ev): -33.0156 -33.0156 -33.0139 -33.0139 -33.0123 -33.0123 -14.1392 -14.1392 -14.0790 -14.0790 -14.0752 -14.0752 -12.8725 -12.8725 -12.7817 -12.7817 -12.5680 -12.5680 -12.5662 -12.5662 -12.3377 -12.3377 -12.3319 -12.3319 4.8167 4.8167 7.8104 7.8104 7.8573 7.8573 8.0478 8.0478 8.8306 8.8306 8.9163 8.9163 8.9765 8.9765 10.4997 10.4997 11.1526 11.1526 11.1788 11.1788 k = 0.4255 0.5000 0.4255 ( 3112 PWs) bands (ev): -33.0161 -33.0161 -33.0139 -33.0139 -33.0117 -33.0117 -14.1376 -14.1376 -14.0789 -14.0789 -14.0736 -14.0736 -12.8699 -12.8699 -12.7813 -12.7813 -12.5691 -12.5691 -12.5667 -12.5667 -12.3413 -12.3413 -12.3335 -12.3335 4.8246 4.8246 7.7650 7.7650 7.8265 7.8265 8.0800 8.0800 8.8280 8.8280 8.9426 8.9426 8.9981 8.9981 10.4663 10.4663 11.1414 11.1414 11.1692 11.1692 k = 0.4149 0.5000 0.4149 ( 3106 PWs) bands (ev): -33.0168 -33.0168 -33.0139 -33.0139 -33.0111 -33.0111 -14.1358 -14.1358 -14.0787 -14.0787 -14.0718 -14.0718 -12.8670 -12.8670 -12.7807 -12.7807 -12.5704 -12.5704 -12.5673 -12.5673 -12.3453 -12.3453 -12.3353 -12.3353 4.8332 4.8332 7.7161 7.7161 7.7938 7.7938 8.1170 8.1170 8.8243 8.8243 8.9689 8.9689 9.0224 9.0224 10.4298 10.4298 11.1283 11.1283 11.1568 11.1568 k = 0.4043 0.5000 0.4043 ( 3106 PWs) bands (ev): -33.0175 -33.0175 -33.0139 -33.0139 -33.0104 -33.0104 -14.1339 -14.1339 -14.0785 -14.0785 -14.0697 -14.0697 -12.8637 -12.8637 -12.7801 -12.7801 -12.5718 -12.5718 -12.5679 -12.5679 -12.3497 -12.3497 -12.3373 -12.3373 4.8424 4.8424 7.6644 7.6644 7.7601 7.7601 8.1585 8.1585 8.8196 8.8196 8.9934 8.9934 9.0499 9.0499 10.3911 10.3911 11.1134 11.1134 11.1418 11.1418 k = 0.3936 0.5000 0.3936 ( 3106 PWs) bands (ev): -33.0184 -33.0184 -33.0140 -33.0140 -33.0096 -33.0096 -14.1320 -14.1320 -14.0782 -14.0782 -14.0673 -14.0673 -12.8600 -12.8600 -12.7795 -12.7795 -12.5734 -12.5734 -12.5686 -12.5686 -12.3545 -12.3545 -12.3396 -12.3396 4.8519 4.8519 7.6104 7.6104 7.7262 7.7262 8.2045 8.2045 8.8142 8.8142 9.0140 9.0140 9.0817 9.0817 10.3509 10.3509 11.0968 11.0968 11.1241 11.1241 k = 0.3830 0.5000 0.3830 ( 3108 PWs) bands (ev): -33.0193 -33.0193 -33.0140 -33.0140 -33.0087 -33.0087 -14.1301 -14.1301 -14.0779 -14.0779 -14.0645 -14.0645 -12.8561 -12.8561 -12.7788 -12.7788 -12.5751 -12.5751 -12.5694 -12.5694 -12.3596 -12.3596 -12.3420 -12.3420 4.8616 4.8616 7.5546 7.5546 7.6928 7.6928 8.2546 8.2546 8.8082 8.8082 9.0296 9.0296 9.1176 9.1176 10.3098 10.3098 11.0785 11.0785 11.1038 11.1038 k = 0.3723 0.5000 0.3723 ( 3116 PWs) bands (ev): -33.0202 -33.0202 -33.0140 -33.0140 -33.0078 -33.0078 -14.1282 -14.1282 -14.0775 -14.0775 -14.0615 -14.0615 -12.8519 -12.8519 -12.7780 -12.7780 -12.5768 -12.5768 -12.5703 -12.5703 -12.3651 -12.3651 -12.3446 -12.3446 4.8712 4.8712 7.4974 7.4974 7.6607 7.6607 8.3089 8.3089 8.8018 8.8018 9.0400 9.0400 9.1572 9.1572 10.2684 10.2684 11.0581 11.0581 11.0812 11.0812 k = 0.3617 0.5000 0.3617 ( 3104 PWs) bands (ev): -33.0213 -33.0213 -33.0140 -33.0140 -33.0067 -33.0067 -14.1265 -14.1265 -14.0770 -14.0770 -14.0582 -14.0582 -12.8474 -12.8474 -12.7772 -12.7772 -12.5787 -12.5787 -12.5712 -12.5712 -12.3707 -12.3707 -12.3474 -12.3474 4.8804 4.8804 7.4391 7.4391 7.6306 7.6306 8.3670 8.3670 8.7952 8.7952 9.0451 9.0451 9.2000 9.2000 10.2273 10.2273 11.0352 11.0352 11.0570 11.0570 k = 0.3511 0.5000 0.3511 ( 3104 PWs) bands (ev): -33.0224 -33.0224 -33.0140 -33.0140 -33.0057 -33.0057 -14.1249 -14.1249 -14.0764 -14.0764 -14.0546 -14.0546 -12.8427 -12.8427 -12.7764 -12.7764 -12.5806 -12.5806 -12.5721 -12.5721 -12.3766 -12.3766 -12.3503 -12.3503 4.8889 4.8889 7.3799 7.3799 7.6031 7.6031 8.4288 8.4288 8.7885 8.7885 9.0449 9.0449 9.2454 9.2454 10.1870 10.1870 11.0086 11.0086 11.0325 11.0325 k = 0.3404 0.5000 0.3404 ( 3108 PWs) bands (ev): -33.0235 -33.0235 -33.0141 -33.0141 -33.0046 -33.0046 -14.1236 -14.1236 -14.0757 -14.0757 -14.0507 -14.0507 -12.8378 -12.8378 -12.7755 -12.7755 -12.5825 -12.5825 -12.5731 -12.5731 -12.3826 -12.3826 -12.3533 -12.3533 4.8965 4.8965 7.3202 7.3202 7.5790 7.5790 8.4940 8.4940 8.7818 8.7818 9.0391 9.0391 9.2935 9.2935 10.1477 10.1477 10.9778 10.9778 11.0086 11.0086 k = 0.3298 0.5000 0.3298 ( 3116 PWs) bands (ev): -33.0248 -33.0248 -33.0141 -33.0141 -33.0035 -33.0035 -14.1225 -14.1225 -14.0749 -14.0749 -14.0465 -14.0465 -12.8328 -12.8328 -12.7746 -12.7746 -12.5844 -12.5844 -12.5742 -12.5742 -12.3888 -12.3888 -12.3565 -12.3565 4.9028 4.9028 7.2601 7.2601 7.5587 7.5587 8.5623 8.5623 8.7753 8.7753 9.0280 9.0280 9.3439 9.3439 10.1099 10.1099 10.9430 10.9430 10.9851 10.9851 k = 0.3191 0.5000 0.3191 ( 3104 PWs) bands (ev): -33.0260 -33.0260 -33.0141 -33.0141 -33.0023 -33.0023 -14.1216 -14.1216 -14.0740 -14.0740 -14.0420 -14.0420 -12.8278 -12.8278 -12.7736 -12.7736 -12.5864 -12.5864 -12.5753 -12.5753 -12.3950 -12.3950 -12.3597 -12.3597 4.9077 4.9077 7.1998 7.1998 7.5429 7.5429 8.6331 8.6331 8.7695 8.7695 9.0116 9.0116 9.3966 9.3966 10.0736 10.0736 10.9049 10.9049 10.9620 10.9620 k = 0.3085 0.5000 0.3085 ( 3114 PWs) bands (ev): -33.0273 -33.0273 -33.0142 -33.0142 -33.0011 -33.0011 -14.1210 -14.1210 -14.0729 -14.0729 -14.0374 -14.0374 -12.8228 -12.8228 -12.7725 -12.7725 -12.5882 -12.5882 -12.5764 -12.5764 -12.4012 -12.4012 -12.3630 -12.3630 4.9109 4.9109 7.1394 7.1394 7.5319 7.5319 8.7041 8.7041 8.7662 8.7662 8.9902 8.9902 9.4515 9.4515 10.0389 10.0389 10.8640 10.8640 10.9390 10.9390 k = 0.2979 0.5000 0.2979 ( 3106 PWs) bands (ev): -33.0286 -33.0286 -33.0142 -33.0142 -32.9997 -32.9997 -14.1207 -14.1207 -14.0718 -14.0718 -14.0325 -14.0325 -12.8179 -12.8179 -12.7712 -12.7712 -12.5901 -12.5901 -12.5776 -12.5776 -12.4075 -12.4075 -12.3663 -12.3663 4.9122 4.9122 7.0791 7.0791 7.5262 7.5262 8.7462 8.7462 8.7946 8.7946 8.9645 8.9645 9.5087 9.5087 10.0058 10.0058 10.8208 10.8208 10.9161 10.9161 k = 0.2872 0.5000 0.2872 ( 3110 PWs) bands (ev): -33.0299 -33.0299 -33.0142 -33.0142 -32.9985 -32.9985 -14.1207 -14.1207 -14.0705 -14.0705 -14.0276 -14.0276 -12.8132 -12.8132 -12.7696 -12.7696 -12.5918 -12.5918 -12.5788 -12.5788 -12.4137 -12.4137 -12.3696 -12.3696 4.9114 4.9114 7.0191 7.0191 7.5262 7.5262 8.7456 8.7456 8.8668 8.8668 8.9359 8.9359 9.5680 9.5680 9.9741 9.9741 10.7756 10.7756 10.8935 10.8935 k = 0.2766 0.5000 0.2766 ( 3110 PWs) bands (ev): -33.0313 -33.0313 -33.0142 -33.0142 -32.9971 -32.9971 -14.1209 -14.1209 -14.0691 -14.0691 -14.0225 -14.0225 -12.8091 -12.8091 -12.7676 -12.7676 -12.5934 -12.5934 -12.5800 -12.5800 -12.4199 -12.4199 -12.3728 -12.3728 4.9085 4.9085 6.9594 6.9594 7.5319 7.5319 8.7411 8.7411 8.8954 8.8954 8.9535 8.9535 9.6295 9.6295 9.9438 9.9438 10.7288 10.7288 10.8712 10.8712 k = 0.2660 0.5000 0.2660 ( 3110 PWs) bands (ev): -33.0327 -33.0327 -33.0143 -33.0143 -32.9958 -32.9958 -14.1214 -14.1214 -14.0676 -14.0676 -14.0173 -14.0173 -12.8055 -12.8055 -12.7651 -12.7651 -12.5949 -12.5949 -12.5812 -12.5812 -12.4260 -12.4260 -12.3759 -12.3759 4.9034 4.9034 6.9002 6.9002 7.5437 7.5437 8.7364 8.7364 8.8608 8.8608 9.0336 9.0336 9.6930 9.6930 9.9146 9.9146 10.6808 10.6808 10.8494 10.8494 k = 0.2553 0.5000 0.2553 ( 3110 PWs) bands (ev): -33.0340 -33.0340 -33.0143 -33.0143 -32.9945 -32.9945 -14.1221 -14.1221 -14.0661 -14.0661 -14.0121 -14.0121 -12.8026 -12.8026 -12.7620 -12.7620 -12.5963 -12.5963 -12.5824 -12.5824 -12.4321 -12.4321 -12.3789 -12.3789 4.8960 4.8960 6.8417 6.8417 7.5615 7.5615 8.7320 8.7320 8.8218 8.8218 9.1173 9.1173 9.7585 9.7585 9.8865 9.8865 10.6320 10.6320 10.8283 10.8283 k = 0.2447 0.5000 0.2447 ( 3114 PWs) bands (ev): -33.0354 -33.0354 -33.0143 -33.0143 -32.9931 -32.9931 -14.1230 -14.1230 -14.0645 -14.0645 -14.0069 -14.0069 -12.8006 -12.8006 -12.7581 -12.7581 -12.5976 -12.5976 -12.5835 -12.5835 -12.4382 -12.4382 -12.3817 -12.3817 4.8866 4.8866 6.7840 6.7840 7.5854 7.5854 8.7280 8.7280 8.7807 8.7807 9.2025 9.2025 9.8260 9.8260 9.8594 9.8594 10.5826 10.5826 10.8080 10.8080 k = 0.2340 0.5000 0.2340 ( 3114 PWs) bands (ev): -33.0368 -33.0368 -33.0143 -33.0143 -32.9918 -32.9918 -14.1241 -14.1241 -14.0628 -14.0628 -14.0017 -14.0017 -12.7994 -12.7994 -12.7536 -12.7536 -12.5988 -12.5988 -12.5846 -12.5846 -12.4441 -12.4441 -12.3842 -12.3842 4.8752 4.8752 6.7272 6.7272 7.6152 7.6152 8.7245 8.7245 8.7382 8.7382 9.2886 9.2886 9.8328 9.8328 9.8956 9.8956 10.5330 10.5330 10.7885 10.7885 k = 0.2234 0.5000 0.2234 ( 3118 PWs) bands (ev): -33.0382 -33.0382 -33.0144 -33.0144 -32.9905 -32.9905 -14.1253 -14.1253 -14.0611 -14.0611 -13.9966 -13.9966 -12.7989 -12.7989 -12.7485 -12.7485 -12.6000 -12.6000 -12.5857 -12.5857 -12.4501 -12.4501 -12.3865 -12.3865 4.8620 4.8620 6.6715 6.6715 7.6507 7.6507 8.6949 8.6949 8.7215 8.7215 9.3753 9.3753 9.8072 9.8072 9.9668 9.9668 10.4836 10.4836 10.7701 10.7701 k = 0.2128 0.5000 0.2128 ( 3118 PWs) bands (ev): -33.0396 -33.0396 -33.0144 -33.0144 -32.9892 -32.9892 -14.1267 -14.1267 -14.0594 -14.0594 -13.9916 -13.9916 -12.7990 -12.7990 -12.7430 -12.7430 -12.6011 -12.6011 -12.5866 -12.5866 -12.4560 -12.4560 -12.3885 -12.3885 4.8471 4.8471 6.6169 6.6169 7.6916 7.6916 8.6513 8.6513 8.7190 8.7190 9.4621 9.4621 9.7823 9.7823 10.0398 10.0398 10.4346 10.4346 10.7528 10.7528 k = 0.2021 0.5000 0.2021 ( 3118 PWs) bands (ev): -33.0409 -33.0409 -33.0144 -33.0144 -32.9879 -32.9879 -14.1283 -14.1283 -14.0577 -14.0577 -13.9868 -13.9868 -12.7996 -12.7996 -12.7371 -12.7371 -12.6021 -12.6021 -12.5875 -12.5875 -12.4620 -12.4620 -12.3900 -12.3900 4.8310 4.8310 6.5638 6.5638 7.7377 7.7377 8.6079 8.6079 8.7170 8.7170 9.5489 9.5489 9.7583 9.7583 10.1145 10.1145 10.3864 10.3864 10.7368 10.7368 k = 0.1915 0.5000 0.1915 ( 3124 PWs) bands (ev): -33.0422 -33.0422 -33.0145 -33.0145 -32.9866 -32.9866 -14.1299 -14.1299 -14.0560 -14.0560 -13.9821 -13.9821 -12.8006 -12.8006 -12.7310 -12.7310 -12.6032 -12.6032 -12.5883 -12.5883 -12.4680 -12.4680 -12.3912 -12.3912 4.8137 4.8137 6.5122 6.5122 7.7885 7.7885 8.5649 8.5649 8.7155 8.7155 9.6351 9.6351 9.7351 9.7351 10.1907 10.1907 10.3392 10.3392 10.7222 10.7222 k = 0.1809 0.5000 0.1809 ( 3120 PWs) bands (ev): -33.0435 -33.0435 -33.0145 -33.0145 -32.9854 -32.9854 -14.1316 -14.1316 -14.0543 -14.0543 -13.9775 -13.9775 -12.8019 -12.8019 -12.7246 -12.7246 -12.6043 -12.6043 -12.5890 -12.5890 -12.4740 -12.4740 -12.3920 -12.3920 4.7956 4.7956 6.4622 6.4622 7.8436 7.8436 8.5228 8.5228 8.7146 8.7146 9.7096 9.7096 9.7238 9.7238 10.2668 10.2668 10.2947 10.2947 10.7089 10.7089 k = 0.1702 0.5000 0.1702 ( 3124 PWs) bands (ev): -33.0447 -33.0447 -33.0145 -33.0145 -32.9842 -32.9842 -14.1334 -14.1334 -14.0526 -14.0526 -13.9731 -13.9731 -12.8034 -12.8034 -12.7182 -12.7182 -12.6055 -12.6055 -12.5896 -12.5896 -12.4800 -12.4800 -12.3924 -12.3924 4.7770 4.7770 6.4141 6.4141 7.9025 7.9025 8.4818 8.4818 8.7141 8.7141 9.6904 9.6904 9.8058 9.8058 10.2476 10.2476 10.3483 10.3483 10.6971 10.6971 k = 0.1596 0.5000 0.1596 ( 3124 PWs) bands (ev): -33.0459 -33.0459 -33.0145 -33.0145 -32.9830 -32.9830 -14.1352 -14.1352 -14.0510 -14.0510 -13.9690 -13.9690 -12.8051 -12.8051 -12.7116 -12.7116 -12.6066 -12.6066 -12.5900 -12.5900 -12.4861 -12.4861 -12.3925 -12.3925 4.7581 4.7581 6.3679 6.3679 7.9646 7.9646 8.4423 8.4423 8.7141 8.7141 9.6699 9.6699 9.8886 9.8886 10.2050 10.2050 10.4282 10.4282 10.6870 10.6870 k = 0.1489 0.5000 0.1489 ( 3106 PWs) bands (ev): -33.0470 -33.0470 -33.0145 -33.0145 -32.9818 -32.9818 -14.1370 -14.1370 -14.0494 -14.0494 -13.9651 -13.9651 -12.8068 -12.8068 -12.7050 -12.7050 -12.6079 -12.6079 -12.5905 -12.5905 -12.4923 -12.4923 -12.3921 -12.3921 4.7392 4.7392 6.3239 6.3239 8.0293 8.0293 8.4044 8.4044 8.7145 8.7145 9.6504 9.6504 9.9694 9.9694 10.1643 10.1643 10.5090 10.5090 10.6784 10.6784 k = 0.1383 0.5000 0.1383 ( 3102 PWs) bands (ev): -33.0481 -33.0481 -33.0145 -33.0145 -32.9808 -32.9808 -14.1388 -14.1388 -14.0479 -14.0479 -13.9614 -13.9614 -12.8086 -12.8086 -12.6983 -12.6983 -12.6091 -12.6091 -12.5908 -12.5908 -12.4985 -12.4985 -12.3914 -12.3914 4.7206 4.7206 6.2821 6.2821 8.0960 8.0960 8.3685 8.3685 8.7153 8.7153 9.6319 9.6319 10.0462 10.0462 10.1273 10.1273 10.5899 10.5899 10.6720 10.6720 k = 0.1277 0.5000 0.1277 ( 3106 PWs) bands (ev): -33.0491 -33.0491 -33.0146 -33.0146 -32.9797 -32.9797 -14.1406 -14.1406 -14.0464 -14.0464 -13.9579 -13.9579 -12.8104 -12.8104 -12.6916 -12.6916 -12.6103 -12.6103 -12.5912 -12.5912 -12.5048 -12.5048 -12.3905 -12.3905 4.7024 4.7024 6.2428 6.2428 8.1639 8.1639 8.3347 8.3347 8.7164 8.7164 9.6145 9.6145 10.0798 10.0798 10.1333 10.1333 10.6569 10.6569 10.6814 10.6814 k = 0.1170 0.5000 0.1170 ( 3106 PWs) bands (ev): -33.0501 -33.0501 -33.0146 -33.0146 -32.9788 -32.9788 -14.1423 -14.1423 -14.0451 -14.0451 -13.9548 -13.9548 -12.8122 -12.8122 -12.6850 -12.6850 -12.6115 -12.6115 -12.5915 -12.5915 -12.5111 -12.5111 -12.3893 -12.3893 4.6849 4.6849 6.2060 6.2060 8.2316 8.2316 8.3039 8.3039 8.7178 8.7178 9.5984 9.5984 10.0494 10.0494 10.2024 10.2024 10.6591 10.6591 10.7571 10.7571 k = 0.1064 0.5000 0.1064 ( 3106 PWs) bands (ev): -33.0510 -33.0510 -33.0146 -33.0146 -32.9780 -32.9780 -14.1440 -14.1440 -14.0438 -14.0438 -13.9518 -13.9518 -12.8139 -12.8139 -12.6783 -12.6783 -12.6127 -12.6127 -12.5918 -12.5918 -12.5174 -12.5174 -12.3880 -12.3880 4.6683 4.6683 6.1720 6.1720 8.2692 8.2692 8.3051 8.3051 8.7194 8.7194 9.5835 9.5835 10.0178 10.0178 10.2716 10.2716 10.6570 10.6570 10.8379 10.8379 k = 0.0957 0.5000 0.0957 ( 3112 PWs) bands (ev): -33.0518 -33.0518 -33.0146 -33.0146 -32.9772 -32.9772 -14.1455 -14.1455 -14.0426 -14.0426 -13.9492 -13.9492 -12.8155 -12.8155 -12.6718 -12.6718 -12.6139 -12.6139 -12.5921 -12.5921 -12.5236 -12.5236 -12.3865 -12.3865 4.6527 4.6527 6.1407 6.1407 8.2449 8.2449 8.3694 8.3694 8.7211 8.7211 9.5699 9.5699 9.9884 9.9884 10.3372 10.3372 10.6558 10.6558 10.9177 10.9177 k = 0.0851 0.5000 0.0851 ( 3104 PWs) bands (ev): -33.0525 -33.0525 -33.0146 -33.0146 -32.9765 -32.9765 -14.1470 -14.1470 -14.0415 -14.0415 -13.9468 -13.9468 -12.8170 -12.8170 -12.6653 -12.6653 -12.6149 -12.6149 -12.5924 -12.5924 -12.5298 -12.5298 -12.3850 -12.3850 4.6384 4.6384 6.1124 6.1124 8.2209 8.2209 8.4337 8.4337 8.7230 8.7230 9.5577 9.5577 9.9616 9.9616 10.3982 10.3982 10.6558 10.6558 10.9952 10.9952 k = 0.0745 0.5000 0.0745 ( 3098 PWs) bands (ev): -33.0532 -33.0532 -33.0146 -33.0146 -32.9757 -32.9757 -14.1483 -14.1483 -14.0406 -14.0406 -13.9447 -13.9447 -12.8183 -12.8183 -12.6590 -12.6590 -12.6159 -12.6159 -12.5927 -12.5927 -12.5358 -12.5358 -12.3835 -12.3835 4.6254 4.6254 6.0872 6.0872 8.1993 8.1993 8.4948 8.4948 8.7250 8.7250 9.5468 9.5468 9.9376 9.9376 10.4538 10.4538 10.6571 10.6571 11.0689 11.0689 k = 0.0638 0.5000 0.0638 ( 3106 PWs) bands (ev): -33.0538 -33.0538 -33.0147 -33.0147 -32.9752 -32.9752 -14.1495 -14.1495 -14.0397 -14.0397 -13.9428 -13.9428 -12.8195 -12.8195 -12.6529 -12.6529 -12.6168 -12.6168 -12.5930 -12.5930 -12.5417 -12.5417 -12.3821 -12.3821 4.6140 4.6140 6.0651 6.0651 8.1804 8.1804 8.5512 8.5512 8.7270 8.7270 9.5373 9.5373 9.9165 9.9165 10.5032 10.5032 10.6595 10.6595 11.1369 11.1369 k = 0.0532 0.5000 0.0532 ( 3110 PWs) bands (ev): -33.0543 -33.0543 -33.0147 -33.0147 -32.9747 -32.9747 -14.1505 -14.1505 -14.0390 -14.0390 -13.9413 -13.9413 -12.8205 -12.8205 -12.6471 -12.6471 -12.6176 -12.6176 -12.5933 -12.5933 -12.5472 -12.5472 -12.3808 -12.3808 4.6041 4.6041 6.0463 6.0463 8.1643 8.1643 8.6017 8.6017 8.7291 8.7291 9.5292 9.5292 9.8985 9.8985 10.5453 10.5453 10.6634 10.6634 11.1964 11.1964 k = 0.0426 0.5000 0.0426 ( 3098 PWs) bands (ev): -33.0546 -33.0546 -33.0146 -33.0146 -32.9743 -32.9743 -14.1514 -14.1514 -14.0384 -14.0384 -13.9400 -13.9400 -12.8214 -12.8214 -12.6418 -12.6418 -12.6182 -12.6182 -12.5936 -12.5936 -12.5522 -12.5522 -12.3797 -12.3797 4.5959 4.5959 6.0307 6.0307 8.1510 8.1510 8.6447 8.6447 8.7315 8.7315 9.5226 9.5226 9.8836 9.8836 10.5790 10.5790 10.6689 10.6689 11.2445 11.2445 k = 0.0319 0.5000 0.0319 ( 3102 PWs) bands (ev): -33.0549 -33.0549 -33.0147 -33.0147 -32.9741 -32.9741 -14.1521 -14.1521 -14.0379 -14.0379 -13.9390 -13.9390 -12.8221 -12.8221 -12.6371 -12.6371 -12.6188 -12.6188 -12.5939 -12.5939 -12.5566 -12.5566 -12.3788 -12.3788 4.5894 4.5894 6.0186 6.0186 8.1406 8.1406 8.6784 8.6784 8.7346 8.7346 9.5175 9.5175 9.8719 9.8719 10.6034 10.6034 10.6762 10.6762 11.2789 11.2789 k = 0.0213 0.5000 0.0213 ( 3094 PWs) bands (ev): -33.0551 -33.0551 -33.0146 -33.0146 -32.9738 -32.9738 -14.1525 -14.1525 -14.0376 -14.0376 -13.9383 -13.9383 -12.8226 -12.8226 -12.6334 -12.6334 -12.6191 -12.6191 -12.5943 -12.5943 -12.5600 -12.5600 -12.3781 -12.3781 4.5848 4.5848 6.0099 6.0099 8.1332 8.1332 8.7010 8.7010 8.7392 8.7392 9.5138 9.5138 9.8636 9.8636 10.6185 10.6185 10.6842 10.6842 11.2999 11.2999 k = 0.0106 0.5000 0.0106 ( 3082 PWs) bands (ev): -33.0552 -33.0552 -33.0146 -33.0146 -32.9737 -32.9737 -14.1528 -14.1528 -14.0374 -14.0374 -13.9379 -13.9379 -12.8229 -12.8229 -12.6309 -12.6309 -12.6194 -12.6194 -12.5945 -12.5945 -12.5623 -12.5623 -12.3777 -12.3777 4.5820 4.5820 6.0047 6.0047 8.1288 8.1288 8.7121 8.7121 8.7449 8.7449 9.5116 9.5116 9.8585 9.8585 10.6263 10.6263 10.6906 10.6906 11.3106 11.3106 k = 0.0000 0.5000-0.0000 ( 3082 PWs) bands (ev): -33.0552 -33.0552 -33.0146 -33.0146 -32.9737 -32.9737 -14.1529 -14.1529 -14.0373 -14.0373 -13.9377 -13.9377 -12.8230 -12.8230 -12.6301 -12.6301 -12.6195 -12.6195 -12.5946 -12.5946 -12.5630 -12.5630 -12.3776 -12.3776 4.5811 4.5811 6.0029 6.0029 8.1273 8.1273 8.7151 8.7151 8.7475 8.7475 9.5108 9.5108 9.8568 9.8568 10.6287 10.6287 10.6930 10.6930 11.3186 11.3186 k = 0.5000 0.5000-0.0000 ( 3136 PWs) bands (ev): -33.0145 -33.0145 -33.0144 -33.0144 -33.0144 -33.0144 -14.0717 -14.0717 -14.0650 -14.0650 -14.0405 -14.0405 -12.7575 -12.7575 -12.7457 -12.7457 -12.6144 -12.6144 -12.6086 -12.6086 -12.4367 -12.4367 -12.4255 -12.4255 5.1417 5.1417 7.1145 7.1145 7.1682 7.1682 8.4455 8.4455 8.4772 8.4772 9.8795 9.8795 9.9402 9.9402 9.9444 9.9444 10.8341 10.8341 10.8579 10.8579 k = 0.5000 0.5000 0.0152 ( 3136 PWs) bands (ev): -33.0145 -33.0145 -33.0144 -33.0144 -33.0144 -33.0144 -14.0719 -14.0719 -14.0650 -14.0650 -14.0405 -14.0405 -12.7576 -12.7576 -12.7462 -12.7462 -12.6143 -12.6143 -12.6083 -12.6083 -12.4364 -12.4364 -12.4253 -12.4253 5.1408 5.1408 7.1158 7.1158 7.1695 7.1695 8.4465 8.4465 8.4760 8.4760 9.8797 9.8797 9.9370 9.9370 9.9411 9.9411 10.8356 10.8356 10.8594 10.8594 k = 0.5000 0.5000 0.0303 ( 3116 PWs) bands (ev): -33.0144 -33.0144 -33.0143 -33.0143 -33.0143 -33.0143 -14.0724 -14.0724 -14.0651 -14.0651 -14.0408 -14.0408 -12.7578 -12.7578 -12.7478 -12.7478 -12.6139 -12.6139 -12.6073 -12.6073 -12.4356 -12.4356 -12.4246 -12.4246 5.1381 5.1381 7.1198 7.1198 7.1733 7.1733 8.4496 8.4496 8.4724 8.4724 9.8805 9.8805 9.9272 9.9272 9.9312 9.9312 10.8398 10.8398 10.8637 10.8637 k = 0.5000 0.5000 0.0455 ( 3116 PWs) bands (ev): -33.0144 -33.0144 -33.0143 -33.0143 -33.0143 -33.0143 -14.0733 -14.0733 -14.0652 -14.0652 -14.0412 -14.0412 -12.7583 -12.7583 -12.7504 -12.7504 -12.6132 -12.6132 -12.6059 -12.6059 -12.4343 -12.4343 -12.4234 -12.4234 5.1337 5.1337 7.1265 7.1265 7.1798 7.1798 8.4546 8.4546 8.4665 8.4665 9.8820 9.8820 9.9114 9.9114 9.9150 9.9150 10.8465 10.8465 10.8705 10.8705 k = 0.5000 0.5000 0.0606 ( 3116 PWs) bands (ev): -33.0144 -33.0144 -33.0143 -33.0143 -33.0143 -33.0143 -14.0746 -14.0746 -14.0655 -14.0655 -14.0418 -14.0418 -12.7588 -12.7588 -12.7539 -12.7539 -12.6123 -12.6123 -12.6040 -12.6040 -12.4324 -12.4324 -12.4218 -12.4218 5.1276 5.1276 7.1358 7.1358 7.1888 7.1888 8.4582 8.4582 8.4616 8.4616 9.8843 9.8843 9.8899 9.8899 9.8932 9.8932 10.8555 10.8555 10.8797 10.8797 k = 0.5000 0.5000 0.0758 ( 3100 PWs) bands (ev): -33.0143 -33.0143 -33.0142 -33.0142 -33.0142 -33.0142 -14.0761 -14.0761 -14.0657 -14.0657 -14.0425 -14.0425 -12.7596 -12.7596 -12.7582 -12.7582 -12.6112 -12.6112 -12.6017 -12.6017 -12.4300 -12.4300 -12.4197 -12.4197 5.1199 5.1199 7.1477 7.1477 7.2003 7.2003 8.4476 8.4476 8.4705 8.4705 9.8635 9.8635 9.8659 9.8659 9.8882 9.8882 10.8664 10.8664 10.8908 10.8908 k = 0.5000 0.5000 0.0909 ( 3108 PWs) bands (ev): -33.0143 -33.0143 -33.0143 -33.0143 -33.0143 -33.0143 -14.0780 -14.0780 -14.0661 -14.0661 -14.0434 -14.0434 -12.7630 -12.7630 -12.7604 -12.7604 -12.6098 -12.6098 -12.5993 -12.5993 -12.4272 -12.4272 -12.4172 -12.4172 5.1106 5.1106 7.1621 7.1621 7.2143 7.2143 8.4348 8.4348 8.4810 8.4810 9.8326 9.8326 9.8344 9.8344 9.8935 9.8935 10.8788 10.8788 10.9034 10.9034 k = 0.5000 0.5000 0.1061 ( 3108 PWs) bands (ev): -33.0143 -33.0143 -33.0142 -33.0142 -33.0142 -33.0142 -14.0801 -14.0801 -14.0665 -14.0665 -14.0444 -14.0444 -12.7684 -12.7684 -12.7614 -12.7614 -12.6083 -12.6083 -12.5967 -12.5967 -12.4239 -12.4239 -12.4143 -12.4143 5.1000 5.1000 7.1791 7.1791 7.2308 7.2308 8.4199 8.4199 8.4932 8.4932 9.7980 9.7980 9.7991 9.7991 9.9007 9.9007 10.8923 10.8923 10.9173 10.9173 k = 0.5000 0.5000 0.1212 ( 3100 PWs) bands (ev): -33.0143 -33.0143 -33.0142 -33.0142 -33.0142 -33.0142 -14.0825 -14.0825 -14.0669 -14.0669 -14.0455 -14.0455 -12.7742 -12.7742 -12.7625 -12.7625 -12.6065 -12.6065 -12.5940 -12.5940 -12.4202 -12.4202 -12.4111 -12.4111 5.0880 5.0880 7.1985 7.1985 7.2495 7.2495 8.4030 8.4030 8.5069 8.5069 9.7604 9.7604 9.7605 9.7605 9.9103 9.9103 10.9067 10.9067 10.9320 10.9320 k = 0.5000 0.5000 0.1364 ( 3100 PWs) bands (ev): -33.0143 -33.0143 -33.0142 -33.0142 -33.0142 -33.0142 -14.0852 -14.0852 -14.0674 -14.0674 -14.0469 -14.0469 -12.7802 -12.7802 -12.7636 -12.7636 -12.6046 -12.6046 -12.5914 -12.5914 -12.4161 -12.4161 -12.4075 -12.4075 5.0750 5.0750 7.2203 7.2203 7.2706 7.2706 8.3843 8.3843 8.5219 8.5219 9.7194 9.7194 9.7203 9.7203 9.9224 9.9224 10.9217 10.9217 10.9473 10.9473 k = 0.5000 0.5000 0.1515 ( 3100 PWs) bands (ev): -33.0143 -33.0143 -33.0142 -33.0142 -33.0142 -33.0142 -14.0880 -14.0880 -14.0679 -14.0679 -14.0483 -14.0483 -12.7865 -12.7865 -12.7648 -12.7648 -12.6026 -12.6026 -12.5888 -12.5888 -12.4117 -12.4117 -12.4037 -12.4037 5.0610 5.0610 7.2443 7.2443 7.2938 7.2938 8.3638 8.3638 8.5380 8.5380 9.6761 9.6761 9.6783 9.6783 9.9372 9.9372 10.9370 10.9370 10.9630 10.9630 k = 0.5000 0.5000 0.1667 ( 3124 PWs) bands (ev): -33.0143 -33.0143 -33.0142 -33.0142 -33.0142 -33.0142 -14.0910 -14.0910 -14.0685 -14.0685 -14.0498 -14.0498 -12.7929 -12.7929 -12.7660 -12.7660 -12.6005 -12.6005 -12.5864 -12.5864 -12.4070 -12.4070 -12.3996 -12.3996 5.0461 5.0461 7.2706 7.2706 7.3191 7.3191 8.3420 8.3420 8.5551 8.5551 9.6313 9.6313 9.6347 9.6347 9.9550 9.9550 10.9526 10.9526 10.9789 10.9789 k = 0.5000 0.5000 0.1818 ( 3116 PWs) bands (ev): -33.0143 -33.0143 -33.0142 -33.0142 -33.0142 -33.0142 -14.0942 -14.0942 -14.0691 -14.0691 -14.0514 -14.0514 -12.7993 -12.7993 -12.7673 -12.7673 -12.5983 -12.5983 -12.5841 -12.5841 -12.4021 -12.4021 -12.3953 -12.3953 5.0306 5.0306 7.2989 7.2989 7.3464 7.3464 8.3189 8.3189 8.5730 8.5730 9.5853 9.5853 9.5902 9.5902 9.9756 9.9756 10.9683 10.9683 10.9950 10.9950 k = 0.5000 0.5000 0.1970 ( 3116 PWs) bands (ev): -33.0142 -33.0142 -33.0142 -33.0142 -33.0142 -33.0142 -14.0975 -14.0975 -14.0697 -14.0697 -14.0532 -14.0532 -12.8057 -12.8057 -12.7685 -12.7685 -12.5960 -12.5960 -12.5819 -12.5819 -12.3970 -12.3970 -12.3909 -12.3909 5.0145 5.0145 7.3293 7.3293 7.3756 7.3756 8.2949 8.2949 8.5916 8.5916 9.5385 9.5385 9.5450 9.5450 9.9992 9.9992 10.9840 10.9840 11.0110 11.0110 k = 0.5000 0.5000 0.2121 ( 3112 PWs) bands (ev): -33.0142 -33.0142 -33.0141 -33.0141 -33.0141 -33.0141 -14.1008 -14.1008 -14.0704 -14.0704 -14.0549 -14.0549 -12.8120 -12.8120 -12.7698 -12.7698 -12.5937 -12.5937 -12.5800 -12.5800 -12.3918 -12.3918 -12.3863 -12.3863 4.9982 4.9982 7.3614 7.3614 7.4064 7.4064 8.2703 8.2703 8.6106 8.6106 9.4912 9.4912 9.4994 9.4994 10.0257 10.0257 10.9995 10.9995 11.0270 11.0270 k = 0.5000 0.5000 0.2273 ( 3120 PWs) bands (ev): -33.0142 -33.0142 -33.0141 -33.0141 -33.0141 -33.0141 -14.1042 -14.1042 -14.0711 -14.0711 -14.0568 -14.0568 -12.8182 -12.8182 -12.7710 -12.7710 -12.5914 -12.5914 -12.5781 -12.5781 -12.3866 -12.3866 -12.3817 -12.3817 4.9816 4.9816 7.3952 7.3952 7.4388 7.4388 8.2452 8.2452 8.6298 8.6298 9.4436 9.4436 9.4538 9.4538 10.0549 10.0549 11.0149 11.0149 11.0427 11.0427 k = 0.5000 0.5000 0.2424 ( 3112 PWs) bands (ev): -33.0142 -33.0142 -33.0141 -33.0141 -33.0141 -33.0141 -14.1077 -14.1077 -14.0717 -14.0717 -14.0586 -14.0586 -12.8242 -12.8242 -12.7722 -12.7722 -12.5890 -12.5890 -12.5764 -12.5764 -12.3813 -12.3813 -12.3770 -12.3770 4.9650 4.9650 7.4306 7.4306 7.4726 7.4726 8.2199 8.2199 8.6491 8.6491 9.3960 9.3960 9.4085 9.4085 10.0866 10.0866 11.0301 11.0301 11.0582 11.0582 k = 0.5000 0.5000 0.2576 ( 3112 PWs) bands (ev): -33.0141 -33.0141 -33.0141 -33.0141 -33.0141 -33.0141 -14.1111 -14.1111 -14.0724 -14.0724 -14.0605 -14.0605 -12.8301 -12.8301 -12.7734 -12.7734 -12.5867 -12.5867 -12.5749 -12.5749 -12.3761 -12.3761 -12.3724 -12.3724 4.9485 4.9485 7.4673 7.4673 7.5076 7.5076 8.1948 8.1948 8.6683 8.6683 9.3487 9.3487 9.3635 9.3635 10.1206 10.1206 11.0449 11.0449 11.0733 11.0733 k = 0.5000 0.5000 0.2727 ( 3120 PWs) bands (ev): -33.0141 -33.0141 -33.0141 -33.0141 -33.0141 -33.0141 -14.1145 -14.1145 -14.0731 -14.0731 -14.0624 -14.0624 -12.8357 -12.8357 -12.7745 -12.7745 -12.5844 -12.5844 -12.5735 -12.5735 -12.3710 -12.3710 -12.3678 -12.3678 4.9323 4.9323 7.5052 7.5052 7.5436 7.5436 8.1700 8.1700 8.6873 8.6873 9.3018 9.3018 9.3192 9.3192 10.1566 10.1566 11.0594 11.0594 11.0880 11.0880 k = 0.5000 0.5000 0.2879 ( 3112 PWs) bands (ev): -33.0141 -33.0141 -33.0140 -33.0140 -33.0140 -33.0140 -14.1178 -14.1178 -14.0738 -14.0738 -14.0642 -14.0642 -12.8410 -12.8410 -12.7756 -12.7756 -12.5822 -12.5822 -12.5722 -12.5722 -12.3660 -12.3660 -12.3633 -12.3633 4.9165 4.9165 7.5439 7.5439 7.5803 7.5803 8.1457 8.1457 8.7057 8.7057 9.2554 9.2554 9.2757 9.2757 10.1942 10.1942 11.0734 11.0734 11.1022 11.1022 k = 0.5000 0.5000 0.3030 ( 3120 PWs) bands (ev): -33.0141 -33.0141 -33.0141 -33.0141 -33.0140 -33.0140 -14.1211 -14.1211 -14.0744 -14.0744 -14.0660 -14.0660 -12.8461 -12.8461 -12.7766 -12.7766 -12.5800 -12.5800 -12.5711 -12.5711 -12.3612 -12.3612 -12.3589 -12.3589 4.9012 4.9012 7.5833 7.5833 7.6174 7.6174 8.1223 8.1223 8.7236 8.7236 9.2099 9.2099 9.2333 9.2333 10.2332 10.2332 11.0869 11.0869 11.1158 11.1158 k = 0.5000 0.5000 0.3182 ( 3128 PWs) bands (ev): -33.0141 -33.0141 -33.0141 -33.0141 -33.0141 -33.0141 -14.1242 -14.1242 -14.0751 -14.0751 -14.0678 -14.0678 -12.8509 -12.8509 -12.7775 -12.7775 -12.5780 -12.5780 -12.5701 -12.5701 -12.3566 -12.3566 -12.3547 -12.3547 4.8866 4.8866 7.6231 7.6231 7.6548 7.6548 8.0998 8.0998 8.7406 8.7406 9.1653 9.1653 9.1921 9.1921 10.2730 10.2730 11.0998 11.0998 11.1288 11.1288 k = 0.5000 0.5000 0.3333 ( 3108 PWs) bands (ev): -33.0140 -33.0140 -33.0140 -33.0140 -33.0140 -33.0140 -14.1271 -14.1271 -14.0757 -14.0757 -14.0694 -14.0694 -12.8554 -12.8554 -12.7784 -12.7784 -12.5760 -12.5760 -12.5692 -12.5692 -12.3522 -12.3522 -12.3507 -12.3507 4.8727 4.8727 7.6629 7.6629 7.6921 7.6921 8.0786 8.0786 8.7567 8.7567 9.1218 9.1218 9.1524 9.1524 10.3132 10.3132 11.1120 11.1120 11.1410 11.1410 k = 0.5000 0.5000 0.3485 ( 3116 PWs) bands (ev): -33.0140 -33.0140 -33.0140 -33.0140 -33.0140 -33.0140 -14.1299 -14.1299 -14.0763 -14.0763 -14.0710 -14.0710 -12.8595 -12.8595 -12.7792 -12.7792 -12.5742 -12.5742 -12.5683 -12.5683 -12.3482 -12.3482 -12.3469 -12.3469 4.8597 4.8597 7.7025 7.7025 7.7288 7.7288 8.0586 8.0586 8.7717 8.7717 9.0798 9.0798 9.1144 9.1144 10.3532 10.3532 11.1234 11.1234 11.1522 11.1522 k = 0.5000 0.5000 0.3636 ( 3116 PWs) bands (ev): -33.0140 -33.0140 -33.0140 -33.0140 -33.0140 -33.0140 -14.1325 -14.1325 -14.0768 -14.0768 -14.0725 -14.0725 -12.8633 -12.8633 -12.7799 -12.7799 -12.5725 -12.5725 -12.5676 -12.5676 -12.3444 -12.3444 -12.3434 -12.3434 4.8476 4.8476 7.7413 7.7413 7.7647 7.7647 8.0402 8.0402 8.7853 8.7853 9.0394 9.0394 9.0784 9.0784 10.3925 10.3925 11.1341 11.1341 11.1625 11.1625 k = 0.5000 0.5000 0.3788 ( 3120 PWs) bands (ev): -33.0140 -33.0140 -33.0140 -33.0140 -33.0140 -33.0140 -14.1349 -14.1349 -14.0773 -14.0773 -14.0739 -14.0739 -12.8667 -12.8667 -12.7806 -12.7806 -12.5709 -12.5709 -12.5670 -12.5670 -12.3409 -12.3409 -12.3402 -12.3402 4.8366 4.8366 7.7789 7.7789 7.7992 7.7992 8.0233 8.0233 8.7974 8.7974 9.0009 9.0009 9.0449 9.0449 10.4304 10.4304 11.1438 11.1438 11.1715 11.1715 k = 0.5000 0.5000 0.3939 ( 3120 PWs) bands (ev): -33.0140 -33.0140 -33.0140 -33.0140 -33.0140 -33.0140 -14.1370 -14.1370 -14.0778 -14.0778 -14.0751 -14.0751 -12.8697 -12.8697 -12.7812 -12.7812 -12.5695 -12.5695 -12.5665 -12.5665 -12.3379 -12.3379 -12.3373 -12.3373 4.8267 4.8267 7.8147 7.8147 7.8318 7.8318 8.0082 8.0082 8.8078 8.8078 8.9648 8.9648 9.0141 9.0141 10.4663 10.4663 11.1526 11.1526 11.1790 11.1790 k = 0.5000 0.5000 0.4091 ( 3112 PWs) bands (ev): -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -14.1389 -14.1389 -14.0782 -14.0782 -14.0762 -14.0762 -12.8723 -12.8723 -12.7817 -12.7817 -12.5683 -12.5683 -12.5660 -12.5660 -12.3351 -12.3351 -12.3347 -12.3347 4.8179 4.8179 7.8482 7.8482 7.8620 7.8620 7.9949 7.9949 8.8162 8.8162 8.9315 8.9315 8.9868 8.9868 10.4994 10.4994 11.1603 11.1603 11.1847 11.1847 k = 0.5000 0.5000 0.4242 ( 3112 PWs) bands (ev): -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -14.1406 -14.1406 -14.0785 -14.0785 -14.0771 -14.0771 -12.8746 -12.8746 -12.7821 -12.7821 -12.5672 -12.5672 -12.5656 -12.5656 -12.3328 -12.3328 -12.3325 -12.3325 4.8105 4.8105 7.8785 7.8785 7.8892 7.8892 7.9835 7.9835 8.8222 8.8222 8.9015 8.9015 8.9636 8.9636 10.5291 10.5291 11.1670 11.1670 11.1882 11.1882 k = 0.5000 0.5000 0.4394 ( 3120 PWs) bands (ev): -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -14.1419 -14.1419 -14.0788 -14.0788 -14.0779 -14.0779 -12.8764 -12.8764 -12.7825 -12.7825 -12.5663 -12.5663 -12.5653 -12.5653 -12.3309 -12.3309 -12.3307 -12.3307 4.8043 4.8043 7.9050 7.9050 7.9127 7.9127 7.9741 7.9741 8.8259 8.8259 8.8756 8.8756 8.9449 8.9449 10.5546 10.5546 11.1725 11.1725 11.1890 11.1890 k = 0.5000 0.5000 0.4545 ( 3112 PWs) bands (ev): -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -14.1430 -14.1430 -14.0790 -14.0790 -14.0785 -14.0785 -12.8779 -12.8779 -12.7828 -12.7828 -12.5657 -12.5657 -12.5651 -12.5651 -12.3294 -12.3294 -12.3293 -12.3293 4.7994 4.7994 7.9268 7.9268 7.9318 7.9318 7.9667 7.9667 8.8272 8.8272 8.8544 8.8544 8.9313 8.9313 10.5753 10.5753 11.1768 11.1768 11.1875 11.1875 k = 0.5000 0.5000 0.4697 ( 3112 PWs) bands (ev): -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -14.1437 -14.1437 -14.0792 -14.0792 -14.0790 -14.0790 -12.8789 -12.8789 -12.7830 -12.7830 -12.5652 -12.5652 -12.5649 -12.5649 -12.3283 -12.3283 -12.3283 -12.3283 4.7959 4.7959 7.9430 7.9430 7.9460 7.9460 7.9614 7.9614 8.8268 8.8268 8.8386 8.8386 8.9224 8.9224 10.5906 10.5906 11.1800 11.1800 11.1852 11.1852 k = 0.5000 0.5000 0.4848 ( 3112 PWs) bands (ev): -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -14.1442 -14.1442 -14.0793 -14.0793 -14.0792 -14.0792 -12.8796 -12.8796 -12.7831 -12.7831 -12.5649 -12.5649 -12.5648 -12.5648 -12.3277 -12.3277 -12.3276 -12.3276 4.7938 4.7938 7.9530 7.9530 7.9548 7.9548 7.9583 7.9583 8.8259 8.8259 8.8288 8.8288 8.9176 8.9176 10.5999 10.5999 11.1819 11.1819 11.1832 11.1832 k = 0.5000 0.5000 0.5000 ( 3112 PWs) bands (ev): -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -33.0139 -14.1443 -14.1443 -14.0793 -14.0793 -14.0793 -14.0793 -12.8798 -12.8798 -12.7831 -12.7831 -12.5648 -12.5648 -12.5648 -12.5648 -12.3274 -12.3274 -12.3274 -12.3274 4.7931 4.7931 7.9559 7.9559 7.9577 7.9577 7.9577 7.9577 8.8255 8.8255 8.8255 8.8255 8.9161 8.9161 10.6030 10.6030 11.1825 11.1825 11.1825 11.1825 Writing output data file Y3Al.save init_run : 0.20s CPU 0.32s WALL ( 1 calls) electrons : 79.26s CPU 80.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 79.25s CPU 80.78s 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 : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 256 calls) cegterg : 67.82s CPU 69.00s WALL ( 326 calls) Called by sum_band: Called by *egterg: h_psi : 43.64s CPU 44.59s WALL ( 5212 calls) s_psi : 2.90s CPU 3.05s WALL ( 5212 calls) g_psi : 0.12s CPU 0.10s WALL ( 4630 calls) cdiaghg : 24.31s CPU 24.80s WALL ( 4886 calls) cegterg:over : 2.38s CPU 2.29s WALL ( 4630 calls) cegterg:upda : 1.74s CPU 1.69s WALL ( 4630 calls) cegterg:last : 1.12s CPU 1.11s WALL ( 838 calls) cdiaghg:chol : 1.28s CPU 1.35s WALL ( 4886 calls) cdiaghg:inve : 0.72s CPU 0.71s WALL ( 4886 calls) cdiaghg:para : 1.46s CPU 1.47s WALL ( 9772 calls) Called by h_psi: h_psi:vloc : 37.60s CPU 38.41s WALL ( 5212 calls) h_psi:vnl : 5.98s CPU 6.09s WALL ( 5212 calls) add_vuspsi : 3.29s CPU 3.36s WALL ( 5212 calls) General routines calbec : 2.67s CPU 2.72s WALL ( 5212 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 35.16s CPU 36.04s WALL ( 480732 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.10s WALL ( 512 calls) Parallel routines fft_scatter : 12.88s CPU 12.93s WALL ( 480755 calls) PWSCF : 1m29.23s CPU 1m36.73s WALL This run was terminated on: 19:42:53 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=