Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:27:23 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: ./CaPb3.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 51 35 10 1671 948 150 Max 52 36 11 1676 967 153 Sum 1869 1281 373 60269 34457 5449 bravais-lattice index = 14 lattice parameter (alat) = 9.2426 a.u. unit-cell volume = 789.5679 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.242650 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 Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Pb 14.00 207.20000 Pb( 1.00) Ca 10.00 40.07800 Ca( 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= 253 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0039526 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0039526 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0039526 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0039526 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0039526 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0039526 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0039526 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0039526 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0039526 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0039526 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0039526 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0039526 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0039526 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0039526 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0039526 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0039526 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0039526 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0039526 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0039526 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0039526 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0039526 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0039526 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0039526 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0039526 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0039526 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0039526 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0039526 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0039526 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0039526 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0039526 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0039526 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0039526 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039526 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039526 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0039526 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0039526 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0039526 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0039526 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0039526 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0039526 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0039526 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0039526 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0039526 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0039526 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0039526 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0039526 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0039526 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0039526 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0039526 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0039526 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0039526 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0039526 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039526 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039526 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039526 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039526 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039526 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0039526 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0039526 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0039526 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0039526 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0039526 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0039526 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0039526 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0039526 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0039526 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039526 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039526 k( 70) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0039526 k( 71) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0039526 k( 72) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0039526 k( 73) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0039526 k( 74) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0039526 k( 75) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0039526 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0039526 k( 77) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0039526 k( 78) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0039526 k( 79) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0039526 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0039526 k( 81) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0039526 k( 82) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0039526 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0039526 k( 84) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0039526 k( 85) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0039526 k( 86) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0039526 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0039526 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0039526 k( 89) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0039526 k( 90) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0039526 k( 91) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0039526 k( 92) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0039526 k( 93) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0039526 k( 94) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0039526 k( 95) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0039526 k( 96) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0039526 k( 97) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0039526 k( 98) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0039526 k( 99) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0039526 k( 100) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0039526 k( 101) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0039526 k( 102) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0039526 k( 103) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0039526 k( 104) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0039526 k( 105) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0039526 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0039526 k( 107) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0039526 k( 108) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0039526 k( 109) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0039526 k( 110) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0039526 k( 111) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0039526 k( 112) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0039526 k( 113) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0039526 k( 114) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0039526 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 117) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0039526 k( 118) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0039526 k( 119) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0039526 k( 120) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0039526 k( 121) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0039526 k( 122) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0039526 k( 123) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0039526 k( 124) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0039526 k( 125) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0039526 k( 126) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0039526 k( 127) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0039526 k( 128) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0039526 k( 129) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0039526 k( 130) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0039526 k( 131) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0039526 k( 132) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0039526 k( 133) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0039526 k( 134) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0039526 k( 135) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0039526 k( 136) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0039526 k( 137) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0039526 k( 138) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0039526 k( 139) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0039526 k( 140) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0039526 k( 141) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0039526 k( 142) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0039526 k( 143) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0039526 k( 144) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 145) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0039526 k( 146) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0039526 k( 147) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0039526 k( 148) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0039526 k( 149) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0039526 k( 150) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0039526 k( 151) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0039526 k( 152) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0039526 k( 153) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0039526 k( 154) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0039526 k( 155) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0039526 k( 156) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0039526 k( 157) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0039526 k( 158) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0039526 k( 159) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0039526 k( 160) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0039526 k( 161) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0039526 k( 162) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0039526 k( 163) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0039526 k( 164) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0039526 k( 165) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0039526 k( 166) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0039526 k( 167) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0039526 k( 168) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0039526 k( 169) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0039526 k( 170) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0039526 k( 171) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0039526 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 174) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039526 k( 175) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039526 k( 176) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039526 k( 177) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039526 k( 178) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039526 k( 179) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039526 k( 180) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039526 k( 181) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039526 k( 182) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039526 k( 183) = ( 0.3913044 0.5000000 0.3913043), wk = 0.0039526 k( 184) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039526 k( 185) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039526 k( 186) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039526 k( 187) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039526 k( 188) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039526 k( 189) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039526 k( 190) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039526 k( 191) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039526 k( 192) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039526 k( 193) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039526 k( 194) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039526 k( 195) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039526 k( 196) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039526 k( 197) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039526 k( 198) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039526 k( 199) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039526 k( 200) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039526 k( 201) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039526 k( 202) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039526 k( 203) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039526 k( 204) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039526 k( 205) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039526 k( 206) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039526 k( 207) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039526 k( 208) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039526 k( 209) = ( 0.1086957 0.5000000 0.1086956), wk = 0.0039526 k( 210) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039526 k( 211) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039526 k( 212) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039526 k( 213) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039526 k( 214) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039526 k( 215) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039526 k( 216) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039526 k( 217) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039526 k( 218) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039526 k( 219) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039526 k( 220) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039526 k( 221) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039526 k( 222) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039526 k( 223) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0039526 k( 224) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039526 k( 225) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039526 k( 226) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039526 k( 227) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039526 k( 228) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039526 k( 229) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039526 k( 230) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039526 k( 231) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039526 k( 232) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039526 k( 233) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039526 k( 234) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039526 k( 235) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039526 k( 236) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039526 k( 237) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039526 k( 238) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039526 k( 239) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039526 k( 240) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039526 k( 241) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039526 k( 242) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039526 k( 243) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0039526 k( 244) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039526 k( 245) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039526 k( 246) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039526 k( 247) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039526 k( 248) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039526 k( 249) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039526 k( 250) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0039526 k( 251) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039526 k( 252) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039526 k( 253) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0039526 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0039526 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0039526 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0039526 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0039526 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0039526 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0039526 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0039526 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0039526 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0039526 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0039526 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0039526 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0039526 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0039526 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0039526 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0039526 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0039526 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0039526 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0039526 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0039526 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0039526 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0039526 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0039526 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0039526 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0039526 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0039526 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0039526 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0039526 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0039526 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0039526 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0039526 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0039526 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0039526 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0039526 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0039526 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0039526 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0039526 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0039526 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0039526 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0039526 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0039526 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0039526 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0039526 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0039526 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0039526 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0039526 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0039526 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0039526 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0039526 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0039526 k( 54) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0039526 k( 55) = ( 0.3030303 0.5000000 0.0000000), wk = 0.0039526 k( 56) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0039526 k( 57) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0039526 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039526 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0039526 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0039526 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0039526 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0039526 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0039526 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0039526 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0039526 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0039526 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0039526 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039526 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039526 k( 70) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0039526 k( 71) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0039526 k( 72) = ( 0.4673913 0.4673913 0.0000000), wk = 0.0039526 k( 73) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0039526 k( 74) = ( 0.4456522 0.4456522 0.0000000), wk = 0.0039526 k( 75) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0039526 k( 76) = ( 0.4239130 0.4239130 0.0000000), wk = 0.0039526 k( 77) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0039526 k( 78) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0039526 k( 79) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0039526 k( 80) = ( 0.3804348 0.3804348 0.0000000), wk = 0.0039526 k( 81) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0039526 k( 82) = ( 0.3586956 0.3586956 0.0000000), wk = 0.0039526 k( 83) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0039526 k( 84) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0039526 k( 85) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0039526 k( 86) = ( 0.3152174 0.3152174 0.0000000), wk = 0.0039526 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0039526 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0039526 k( 89) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0039526 k( 90) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0039526 k( 91) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0039526 k( 92) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0039526 k( 93) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0039526 k( 94) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0039526 k( 95) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0039526 k( 96) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0039526 k( 97) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0039526 k( 98) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0039526 k( 99) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0039526 k( 100) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0039526 k( 101) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0039526 k( 102) = ( 0.1413043 0.1413043 0.0000000), wk = 0.0039526 k( 103) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0039526 k( 104) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0039526 k( 105) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0039526 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0039526 k( 107) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0039526 k( 108) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0039526 k( 109) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0039526 k( 110) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0039526 k( 111) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0039526 k( 112) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0039526 k( 113) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0039526 k( 114) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0039526 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 117) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0039526 k( 118) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0039526 k( 119) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0039526 k( 120) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0039526 k( 121) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0039526 k( 122) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0039526 k( 123) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0039526 k( 124) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0039526 k( 125) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0039526 k( 126) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0039526 k( 127) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0039526 k( 128) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0039526 k( 129) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0039526 k( 130) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0039526 k( 131) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0039526 k( 132) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0039526 k( 133) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0039526 k( 134) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0039526 k( 135) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0039526 k( 136) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0039526 k( 137) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0039526 k( 138) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0039526 k( 139) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0039526 k( 140) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0039526 k( 141) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0039526 k( 142) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0039526 k( 143) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0039526 k( 144) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 145) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0039526 k( 146) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0039526 k( 147) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0039526 k( 148) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0039526 k( 149) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0039526 k( 150) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0039526 k( 151) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0039526 k( 152) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0039526 k( 153) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0039526 k( 154) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0039526 k( 155) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0039526 k( 156) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0039526 k( 157) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0039526 k( 158) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0039526 k( 159) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0039526 k( 160) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0039526 k( 161) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0039526 k( 162) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0039526 k( 163) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0039526 k( 164) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0039526 k( 165) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0039526 k( 166) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0039526 k( 167) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0039526 k( 168) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0039526 k( 169) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0039526 k( 170) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0039526 k( 171) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0039526 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 174) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039526 k( 175) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039526 k( 176) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039526 k( 177) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039526 k( 178) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039526 k( 179) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039526 k( 180) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039526 k( 181) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039526 k( 182) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039526 k( 183) = ( 0.3913044 0.5000000 0.3913044), wk = 0.0039526 k( 184) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039526 k( 185) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039526 k( 186) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039526 k( 187) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039526 k( 188) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039526 k( 189) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039526 k( 190) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039526 k( 191) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039526 k( 192) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039526 k( 193) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039526 k( 194) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039526 k( 195) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039526 k( 196) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039526 k( 197) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039526 k( 198) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039526 k( 199) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039526 k( 200) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039526 k( 201) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039526 k( 202) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039526 k( 203) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039526 k( 204) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039526 k( 205) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039526 k( 206) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039526 k( 207) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039526 k( 208) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039526 k( 209) = ( 0.1086957 0.5000000 0.1086957), wk = 0.0039526 k( 210) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039526 k( 211) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039526 k( 212) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039526 k( 213) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039526 k( 214) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039526 k( 215) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039526 k( 216) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039526 k( 217) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039526 k( 218) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039526 k( 219) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 220) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039526 k( 221) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039526 k( 222) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039526 k( 223) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0039526 k( 224) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039526 k( 225) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039526 k( 226) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039526 k( 227) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039526 k( 228) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039526 k( 229) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039526 k( 230) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039526 k( 231) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039526 k( 232) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039526 k( 233) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039526 k( 234) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039526 k( 235) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039526 k( 236) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039526 k( 237) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039526 k( 238) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039526 k( 239) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039526 k( 240) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039526 k( 241) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039526 k( 242) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039526 k( 243) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0039526 k( 244) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039526 k( 245) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039526 k( 246) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039526 k( 247) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039526 k( 248) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039526 k( 249) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039526 k( 250) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0039526 k( 251) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039526 k( 252) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039526 k( 253) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 Dense grid: 60269 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 34457 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 254, 62) NL pseudopotentials 0.26 Mb ( 127, 136) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1676) G-vector shells 0.00 Mb ( 370) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 254, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.26 Mb ( 136, 2, 62) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CaPb3.save/charge-density.dat Starting wfc are 70 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 7.0 secs Computing kpt #: 5 total cpu time spent up to now is 8.5 secs Computing kpt #: 6 total cpu time spent up to now is 9.3 secs Computing kpt #: 7 total cpu time spent up to now is 10.1 secs Computing kpt #: 8 total cpu time spent up to now is 11.1 secs Computing kpt #: 9 total cpu time spent up to now is 12.0 secs Computing kpt #: 10 total cpu time spent up to now is 12.8 secs Computing kpt #: 11 total cpu time spent up to now is 13.6 secs Computing kpt #: 12 total cpu time spent up to now is 14.4 secs Computing kpt #: 13 total cpu time spent up to now is 15.2 secs Computing kpt #: 14 total cpu time spent up to now is 15.9 secs Computing kpt #: 15 total cpu time spent up to now is 16.7 secs Computing kpt #: 16 total cpu time spent up to now is 17.4 secs Computing kpt #: 17 total cpu time spent up to now is 18.2 secs Computing kpt #: 18 total cpu time spent up to now is 18.9 secs Computing kpt #: 19 total cpu time spent up to now is 19.6 secs Computing kpt #: 20 total cpu time spent up to now is 20.3 secs Computing kpt #: 21 total cpu time spent up to now is 21.0 secs Computing kpt #: 22 total cpu time spent up to now is 21.8 secs Computing kpt #: 23 total cpu time spent up to now is 22.5 secs Computing kpt #: 24 total cpu time spent up to now is 23.2 secs Computing kpt #: 25 total cpu time spent up to now is 23.8 secs Computing kpt #: 26 total cpu time spent up to now is 24.5 secs Computing kpt #: 27 total cpu time spent up to now is 25.2 secs Computing kpt #: 28 total cpu time spent up to now is 25.8 secs Computing kpt #: 29 total cpu time spent up to now is 26.5 secs Computing kpt #: 30 total cpu time spent up to now is 27.3 secs Computing kpt #: 31 total cpu time spent up to now is 27.9 secs Computing kpt #: 32 total cpu time spent up to now is 28.6 secs Computing kpt #: 33 total cpu time spent up to now is 29.3 secs Computing kpt #: 34 total cpu time spent up to now is 30.0 secs Computing kpt #: 35 total cpu time spent up to now is 30.7 secs Computing kpt #: 36 total cpu time spent up to now is 31.4 secs Computing kpt #: 37 total cpu time spent up to now is 32.1 secs Computing kpt #: 38 total cpu time spent up to now is 32.8 secs Computing kpt #: 39 total cpu time spent up to now is 33.4 secs Computing kpt #: 40 total cpu time spent up to now is 34.1 secs Computing kpt #: 41 total cpu time spent up to now is 34.8 secs Computing kpt #: 42 total cpu time spent up to now is 35.4 secs Computing kpt #: 43 total cpu time spent up to now is 36.1 secs Computing kpt #: 44 total cpu time spent up to now is 36.8 secs Computing kpt #: 45 total cpu time spent up to now is 37.4 secs Computing kpt #: 46 total cpu time spent up to now is 38.1 secs Computing kpt #: 47 total cpu time spent up to now is 38.8 secs Computing kpt #: 48 total cpu time spent up to now is 39.4 secs Computing kpt #: 49 total cpu time spent up to now is 40.1 secs Computing kpt #: 50 total cpu time spent up to now is 40.8 secs Computing kpt #: 51 total cpu time spent up to now is 41.5 secs Computing kpt #: 52 total cpu time spent up to now is 42.2 secs Computing kpt #: 53 total cpu time spent up to now is 42.8 secs Computing kpt #: 54 total cpu time spent up to now is 43.5 secs Computing kpt #: 55 total cpu time spent up to now is 44.2 secs Computing kpt #: 56 total cpu time spent up to now is 44.8 secs Computing kpt #: 57 total cpu time spent up to now is 45.5 secs Computing kpt #: 58 total cpu time spent up to now is 46.1 secs Computing kpt #: 59 total cpu time spent up to now is 46.7 secs Computing kpt #: 60 total cpu time spent up to now is 47.4 secs Computing kpt #: 61 total cpu time spent up to now is 48.0 secs Computing kpt #: 62 total cpu time spent up to now is 48.6 secs Computing kpt #: 63 total cpu time spent up to now is 49.2 secs Computing kpt #: 64 total cpu time spent up to now is 49.8 secs Computing kpt #: 65 total cpu time spent up to now is 50.4 secs Computing kpt #: 66 total cpu time spent up to now is 51.0 secs Computing kpt #: 67 total cpu time spent up to now is 51.6 secs Computing kpt #: 68 total cpu time spent up to now is 52.2 secs Computing kpt #: 69 total cpu time spent up to now is 52.8 secs Computing kpt #: 70 total cpu time spent up to now is 53.4 secs Computing kpt #: 71 total cpu time spent up to now is 54.0 secs Computing kpt #: 72 total cpu time spent up to now is 54.5 secs Computing kpt #: 73 total cpu time spent up to now is 55.1 secs Computing kpt #: 74 total cpu time spent up to now is 55.7 secs Computing kpt #: 75 total cpu time spent up to now is 56.3 secs Computing kpt #: 76 total cpu time spent up to now is 56.9 secs Computing kpt #: 77 total cpu time spent up to now is 57.5 secs Computing kpt #: 78 total cpu time spent up to now is 58.2 secs Computing kpt #: 79 total cpu time spent up to now is 58.8 secs Computing kpt #: 80 total cpu time spent up to now is 59.4 secs Computing kpt #: 81 total cpu time spent up to now is 60.0 secs Computing kpt #: 82 total cpu time spent up to now is 60.6 secs Computing kpt #: 83 total cpu time spent up to now is 61.3 secs Computing kpt #: 84 total cpu time spent up to now is 61.9 secs Computing kpt #: 85 total cpu time spent up to now is 62.5 secs Computing kpt #: 86 total cpu time spent up to now is 63.1 secs Computing kpt #: 87 total cpu time spent up to now is 63.8 secs Computing kpt #: 88 total cpu time spent up to now is 64.4 secs Computing kpt #: 89 total cpu time spent up to now is 65.0 secs Computing kpt #: 90 total cpu time spent up to now is 65.7 secs Computing kpt #: 91 total cpu time spent up to now is 66.3 secs Computing kpt #: 92 total cpu time spent up to now is 66.9 secs Computing kpt #: 93 total cpu time spent up to now is 67.6 secs Computing kpt #: 94 total cpu time spent up to now is 68.2 secs Computing kpt #: 95 total cpu time spent up to now is 68.9 secs Computing kpt #: 96 total cpu time spent up to now is 69.5 secs Computing kpt #: 97 total cpu time spent up to now is 70.2 secs Computing kpt #: 98 total cpu time spent up to now is 70.9 secs Computing kpt #: 99 total cpu time spent up to now is 71.7 secs Computing kpt #: 100 total cpu time spent up to now is 72.5 secs Computing kpt #: 101 total cpu time spent up to now is 73.3 secs Computing kpt #: 102 total cpu time spent up to now is 74.0 secs Computing kpt #: 103 total cpu time spent up to now is 74.7 secs Computing kpt #: 104 total cpu time spent up to now is 75.4 secs Computing kpt #: 105 total cpu time spent up to now is 76.2 secs Computing kpt #: 106 total cpu time spent up to now is 76.9 secs Computing kpt #: 107 total cpu time spent up to now is 77.6 secs Computing kpt #: 108 total cpu time spent up to now is 78.4 secs Computing kpt #: 109 total cpu time spent up to now is 79.2 secs Computing kpt #: 110 total cpu time spent up to now is 79.9 secs Computing kpt #: 111 total cpu time spent up to now is 80.7 secs Computing kpt #: 112 total cpu time spent up to now is 81.4 secs Computing kpt #: 113 total cpu time spent up to now is 82.2 secs Computing kpt #: 114 total cpu time spent up to now is 83.0 secs Computing kpt #: 115 total cpu time spent up to now is 83.8 secs Computing kpt #: 116 total cpu time spent up to now is 84.6 secs Computing kpt #: 117 total cpu time spent up to now is 85.4 secs Computing kpt #: 118 total cpu time spent up to now is 86.1 secs Computing kpt #: 119 total cpu time spent up to now is 86.9 secs Computing kpt #: 120 total cpu time spent up to now is 87.7 secs Computing kpt #: 121 total cpu time spent up to now is 88.5 secs Computing kpt #: 122 total cpu time spent up to now is 89.2 secs Computing kpt #: 123 total cpu time spent up to now is 90.0 secs Computing kpt #: 124 total cpu time spent up to now is 90.8 secs Computing kpt #: 125 total cpu time spent up to now is 91.5 secs Computing kpt #: 126 total cpu time spent up to now is 92.2 secs Computing kpt #: 127 total cpu time spent up to now is 92.9 secs Computing kpt #: 128 total cpu time spent up to now is 93.6 secs Computing kpt #: 129 total cpu time spent up to now is 94.3 secs Computing kpt #: 130 total cpu time spent up to now is 95.0 secs Computing kpt #: 131 total cpu time spent up to now is 95.7 secs Computing kpt #: 132 total cpu time spent up to now is 96.3 secs Computing kpt #: 133 total cpu time spent up to now is 97.0 secs Computing kpt #: 134 total cpu time spent up to now is 97.6 secs Computing kpt #: 135 total cpu time spent up to now is 98.3 secs Computing kpt #: 136 total cpu time spent up to now is 98.9 secs Computing kpt #: 137 total cpu time spent up to now is 99.5 secs Computing kpt #: 138 total cpu time spent up to now is 100.2 secs Computing kpt #: 139 total cpu time spent up to now is 100.9 secs Computing kpt #: 140 total cpu time spent up to now is 101.5 secs Computing kpt #: 141 total cpu time spent up to now is 102.2 secs Computing kpt #: 142 total cpu time spent up to now is 102.9 secs Computing kpt #: 143 total cpu time spent up to now is 103.5 secs Computing kpt #: 144 total cpu time spent up to now is 104.1 secs Computing kpt #: 145 total cpu time spent up to now is 104.8 secs Computing kpt #: 146 total cpu time spent up to now is 105.4 secs Computing kpt #: 147 total cpu time spent up to now is 106.1 secs Computing kpt #: 148 total cpu time spent up to now is 106.7 secs Computing kpt #: 149 total cpu time spent up to now is 107.4 secs Computing kpt #: 150 total cpu time spent up to now is 108.0 secs Computing kpt #: 151 total cpu time spent up to now is 108.6 secs Computing kpt #: 152 total cpu time spent up to now is 109.3 secs Computing kpt #: 153 total cpu time spent up to now is 109.9 secs Computing kpt #: 154 total cpu time spent up to now is 110.6 secs Computing kpt #: 155 total cpu time spent up to now is 111.2 secs Computing kpt #: 156 total cpu time spent up to now is 111.8 secs Computing kpt #: 157 total cpu time spent up to now is 112.6 secs Computing kpt #: 158 total cpu time spent up to now is 113.2 secs Computing kpt #: 159 total cpu time spent up to now is 113.9 secs Computing kpt #: 160 total cpu time spent up to now is 114.5 secs Computing kpt #: 161 total cpu time spent up to now is 115.2 secs Computing kpt #: 162 total cpu time spent up to now is 115.9 secs Computing kpt #: 163 total cpu time spent up to now is 116.6 secs Computing kpt #: 164 total cpu time spent up to now is 117.2 secs Computing kpt #: 165 total cpu time spent up to now is 117.9 secs Computing kpt #: 166 total cpu time spent up to now is 118.6 secs Computing kpt #: 167 total cpu time spent up to now is 119.3 secs Computing kpt #: 168 total cpu time spent up to now is 120.0 secs Computing kpt #: 169 total cpu time spent up to now is 120.7 secs Computing kpt #: 170 total cpu time spent up to now is 121.5 secs Computing kpt #: 171 total cpu time spent up to now is 122.2 secs Computing kpt #: 172 total cpu time spent up to now is 123.0 secs Computing kpt #: 173 total cpu time spent up to now is 123.7 secs Computing kpt #: 174 total cpu time spent up to now is 124.4 secs Computing kpt #: 175 total cpu time spent up to now is 125.2 secs Computing kpt #: 176 total cpu time spent up to now is 125.9 secs Computing kpt #: 177 total cpu time spent up to now is 126.6 secs Computing kpt #: 178 total cpu time spent up to now is 127.2 secs Computing kpt #: 179 total cpu time spent up to now is 127.9 secs Computing kpt #: 180 total cpu time spent up to now is 128.5 secs Computing kpt #: 181 total cpu time spent up to now is 129.2 secs Computing kpt #: 182 total cpu time spent up to now is 129.9 secs Computing kpt #: 183 total cpu time spent up to now is 130.5 secs Computing kpt #: 184 total cpu time spent up to now is 131.2 secs Computing kpt #: 185 total cpu time spent up to now is 131.8 secs Computing kpt #: 186 total cpu time spent up to now is 132.5 secs Computing kpt #: 187 total cpu time spent up to now is 133.1 secs Computing kpt #: 188 total cpu time spent up to now is 133.8 secs Computing kpt #: 189 total cpu time spent up to now is 134.4 secs Computing kpt #: 190 total cpu time spent up to now is 135.1 secs Computing kpt #: 191 total cpu time spent up to now is 135.7 secs Computing kpt #: 192 total cpu time spent up to now is 136.4 secs Computing kpt #: 193 total cpu time spent up to now is 137.1 secs Computing kpt #: 194 total cpu time spent up to now is 137.7 secs Computing kpt #: 195 total cpu time spent up to now is 138.4 secs Computing kpt #: 196 total cpu time spent up to now is 139.1 secs Computing kpt #: 197 total cpu time spent up to now is 139.8 secs Computing kpt #: 198 total cpu time spent up to now is 140.7 secs Computing kpt #: 199 total cpu time spent up to now is 141.3 secs Computing kpt #: 200 total cpu time spent up to now is 142.0 secs Computing kpt #: 201 total cpu time spent up to now is 142.7 secs Computing kpt #: 202 total cpu time spent up to now is 143.4 secs Computing kpt #: 203 total cpu time spent up to now is 144.0 secs Computing kpt #: 204 total cpu time spent up to now is 144.7 secs Computing kpt #: 205 total cpu time spent up to now is 145.4 secs Computing kpt #: 206 total cpu time spent up to now is 146.0 secs Computing kpt #: 207 total cpu time spent up to now is 146.7 secs Computing kpt #: 208 total cpu time spent up to now is 147.4 secs Computing kpt #: 209 total cpu time spent up to now is 148.1 secs Computing kpt #: 210 total cpu time spent up to now is 148.7 secs Computing kpt #: 211 total cpu time spent up to now is 149.4 secs Computing kpt #: 212 total cpu time spent up to now is 150.1 secs Computing kpt #: 213 total cpu time spent up to now is 150.7 secs Computing kpt #: 214 total cpu time spent up to now is 151.4 secs Computing kpt #: 215 total cpu time spent up to now is 152.0 secs Computing kpt #: 216 total cpu time spent up to now is 152.7 secs Computing kpt #: 217 total cpu time spent up to now is 153.4 secs Computing kpt #: 218 total cpu time spent up to now is 154.1 secs Computing kpt #: 219 total cpu time spent up to now is 154.7 secs Computing kpt #: 220 total cpu time spent up to now is 155.3 secs Computing kpt #: 221 total cpu time spent up to now is 155.9 secs Computing kpt #: 222 total cpu time spent up to now is 156.5 secs Computing kpt #: 223 total cpu time spent up to now is 157.1 secs Computing kpt #: 224 total cpu time spent up to now is 157.7 secs Computing kpt #: 225 total cpu time spent up to now is 158.3 secs Computing kpt #: 226 total cpu time spent up to now is 158.9 secs Computing kpt #: 227 total cpu time spent up to now is 159.5 secs Computing kpt #: 228 total cpu time spent up to now is 160.1 secs Computing kpt #: 229 total cpu time spent up to now is 160.7 secs Computing kpt #: 230 total cpu time spent up to now is 161.3 secs Computing kpt #: 231 total cpu time spent up to now is 162.0 secs Computing kpt #: 232 total cpu time spent up to now is 162.6 secs Computing kpt #: 233 total cpu time spent up to now is 163.3 secs Computing kpt #: 234 total cpu time spent up to now is 163.9 secs Computing kpt #: 235 total cpu time spent up to now is 164.6 secs Computing kpt #: 236 total cpu time spent up to now is 165.2 secs Computing kpt #: 237 total cpu time spent up to now is 165.9 secs Computing kpt #: 238 total cpu time spent up to now is 166.6 secs Computing kpt #: 239 total cpu time spent up to now is 167.2 secs Computing kpt #: 240 total cpu time spent up to now is 167.9 secs Computing kpt #: 241 total cpu time spent up to now is 168.6 secs Computing kpt #: 242 total cpu time spent up to now is 169.2 secs Computing kpt #: 243 total cpu time spent up to now is 169.9 secs Computing kpt #: 244 total cpu time spent up to now is 170.6 secs Computing kpt #: 245 total cpu time spent up to now is 171.2 secs Computing kpt #: 246 total cpu time spent up to now is 171.9 secs Computing kpt #: 247 total cpu time spent up to now is 172.6 secs Computing kpt #: 248 total cpu time spent up to now is 173.3 secs Computing kpt #: 249 total cpu time spent up to now is 174.0 secs Computing kpt #: 250 total cpu time spent up to now is 174.6 secs Computing kpt #: 251 total cpu time spent up to now is 175.3 secs Computing kpt #: 252 total cpu time spent up to now is 176.1 secs Computing kpt #: 253 total cpu time spent up to now is 176.8 secs ethr = 1.92E-08, avg # of iterations = 20.6 total cpu time spent up to now is 176.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4337 PWs) bands (ev): -30.9384 -30.9384 -12.2107 -12.2107 -11.8338 -11.8338 -11.8338 -11.8338 -7.4217 -7.4217 -7.4217 -7.4217 -7.3858 -7.3858 -7.3539 -7.3539 -7.3539 -7.3539 -7.3483 -7.3483 -4.9380 -4.9380 -4.9258 -4.9258 -4.9258 -4.9258 -4.8495 -4.8495 -4.8420 -4.8420 -4.8420 -4.8420 -4.7007 -4.7007 -4.6349 -4.6349 -4.6349 -4.6349 -0.2986 -0.2986 4.2493 4.2493 4.2493 4.2493 7.8339 7.8339 7.8339 7.8339 8.4991 8.4991 12.6336 12.6336 12.6336 12.6336 12.6533 12.6533 13.1901 13.1901 13.1901 13.1901 13.3464 13.3464 k = 0.0000 0.0152-0.0000 ( 4341 PWs) bands (ev): -30.9384 -30.9384 -12.2107 -12.2107 -11.8338 -11.8338 -11.8338 -11.8338 -7.4217 -7.4217 -7.4216 -7.4216 -7.3857 -7.3857 -7.3539 -7.3539 -7.3539 -7.3539 -7.3483 -7.3483 -4.9379 -4.9379 -4.9258 -4.9258 -4.9257 -4.9257 -4.8495 -4.8495 -4.8420 -4.8420 -4.8420 -4.8420 -4.7008 -4.7008 -4.6351 -4.6351 -4.6350 -4.6350 -0.2972 -0.2972 4.2434 4.2434 4.2498 4.2498 7.8349 7.8349 7.8382 7.8382 8.5014 8.5014 12.6054 12.6054 12.6113 12.6113 12.6668 12.6668 13.1908 13.1908 13.1960 13.1960 13.3357 13.3357 k = 0.0000 0.0303-0.0000 ( 4349 PWs) bands (ev): -30.9384 -30.9384 -12.2108 -12.2108 -11.8339 -11.8339 -11.8338 -11.8338 -7.4216 -7.4216 -7.4215 -7.4215 -7.3857 -7.3857 -7.3539 -7.3539 -7.3539 -7.3539 -7.3483 -7.3483 -4.9377 -4.9377 -4.9256 -4.9256 -4.9255 -4.9255 -4.8495 -4.8495 -4.8419 -4.8419 -4.8419 -4.8419 -4.7010 -4.7010 -4.6356 -4.6356 -4.6353 -4.6353 -0.2930 -0.2930 4.2259 4.2259 4.2512 4.2512 7.8377 7.8377 7.8507 7.8507 8.5084 8.5084 12.5323 12.5323 12.5676 12.5676 12.6870 12.6870 13.1665 13.1665 13.1927 13.1927 13.3562 13.3562 k = 0.0000 0.0455-0.0000 ( 4329 PWs) bands (ev): -30.9384 -30.9384 -12.2108 -12.2108 -11.8339 -11.8339 -11.8338 -11.8338 -7.4215 -7.4215 -7.4211 -7.4211 -7.3855 -7.3855 -7.3540 -7.3540 -7.3539 -7.3539 -7.3483 -7.3483 -4.9373 -4.9373 -4.9253 -4.9253 -4.9250 -4.9250 -4.8495 -4.8495 -4.8418 -4.8418 -4.8417 -4.8417 -4.7014 -4.7014 -4.6366 -4.6366 -4.6359 -4.6359 -0.2860 -0.2860 4.1970 4.1970 4.2534 4.2534 7.8423 7.8423 7.8712 7.8712 8.5200 8.5200 12.4336 12.4336 12.5094 12.5094 12.7127 12.7127 13.0901 13.0901 13.1954 13.1954 13.3625 13.3625 k = 0.0000 0.0606-0.0000 ( 4305 PWs) bands (ev): -30.9384 -30.9384 -12.2108 -12.2108 -11.8340 -11.8340 -11.8338 -11.8338 -7.4214 -7.4214 -7.4207 -7.4207 -7.3853 -7.3853 -7.3540 -7.3540 -7.3538 -7.3538 -7.3484 -7.3484 -4.9368 -4.9368 -4.9248 -4.9248 -4.9243 -4.9243 -4.8494 -4.8494 -4.8416 -4.8416 -4.8414 -4.8414 -4.7019 -4.7019 -4.6379 -4.6379 -4.6367 -4.6367 -0.2762 -0.2762 4.1574 4.1574 4.2566 4.2566 7.8488 7.8488 7.8991 7.8991 8.5363 8.5363 12.3218 12.3218 12.4405 12.4405 12.7457 12.7457 13.0005 13.0005 13.1987 13.1987 13.3631 13.3631 k = 0.0000 0.0758-0.0000 ( 4305 PWs) bands (ev): -30.9384 -30.9384 -12.2109 -12.2109 -11.8342 -11.8342 -11.8338 -11.8338 -7.4213 -7.4213 -7.4201 -7.4201 -7.3850 -7.3850 -7.3540 -7.3540 -7.3538 -7.3538 -7.3485 -7.3485 -4.9362 -4.9362 -4.9243 -4.9243 -4.9234 -4.9234 -4.8494 -4.8494 -4.8414 -4.8414 -4.8411 -4.8411 -4.7026 -4.7026 -4.6395 -4.6395 -4.6376 -4.6376 -0.2636 -0.2636 4.1078 4.1078 4.2606 4.2606 7.8571 7.8571 7.9334 7.9334 8.5574 8.5574 12.2035 12.2035 12.3644 12.3644 12.7866 12.7866 12.9080 12.9080 13.2023 13.2023 13.3639 13.3639 k = 0.0000 0.0909-0.0000 ( 4292 PWs) bands (ev): -30.9383 -30.9383 -12.2110 -12.2110 -11.8344 -11.8344 -11.8338 -11.8338 -7.4211 -7.4211 -7.4195 -7.4195 -7.3847 -7.3847 -7.3540 -7.3540 -7.3537 -7.3537 -7.3486 -7.3486 -4.9355 -4.9355 -4.9237 -4.9237 -4.9223 -4.9223 -4.8494 -4.8494 -4.8411 -4.8411 -4.8406 -4.8406 -4.7034 -4.7034 -4.6415 -4.6415 -4.6388 -4.6388 -0.2483 -0.2483 4.0491 4.0491 4.2654 4.2654 7.8671 7.8671 7.9734 7.9734 8.5832 8.5832 12.0823 12.0823 12.2836 12.2836 12.8157 12.8157 12.8353 12.8353 13.2064 13.2064 13.3651 13.3651 k = 0.0000 0.1061-0.0000 ( 4288 PWs) bands (ev): -30.9383 -30.9383 -12.2111 -12.2111 -11.8347 -11.8347 -11.8339 -11.8339 -7.4209 -7.4209 -7.4187 -7.4187 -7.3843 -7.3843 -7.3540 -7.3540 -7.3536 -7.3536 -7.3486 -7.3486 -4.9348 -4.9348 -4.9230 -4.9230 -4.9209 -4.9209 -4.8493 -4.8493 -4.8408 -4.8408 -4.8401 -4.8401 -4.7043 -4.7043 -4.6439 -4.6439 -4.6402 -4.6402 -0.2301 -0.2301 3.9823 3.9823 4.2711 4.2711 7.8787 7.8787 8.0180 8.0180 8.6139 8.6139 11.9602 11.9602 12.1998 12.1998 12.7247 12.7247 12.8912 12.8912 13.2109 13.2109 13.3664 13.3664 k = 0.0000 0.1212-0.0000 ( 4292 PWs) bands (ev): -30.9383 -30.9383 -12.2113 -12.2113 -11.8350 -11.8350 -11.8339 -11.8339 -7.4207 -7.4207 -7.4178 -7.4178 -7.3839 -7.3839 -7.3541 -7.3541 -7.3536 -7.3536 -7.3487 -7.3487 -4.9340 -4.9340 -4.9222 -4.9222 -4.9193 -4.9193 -4.8493 -4.8493 -4.8404 -4.8404 -4.8395 -4.8395 -4.7054 -4.7054 -4.6466 -4.6466 -4.6418 -4.6418 -0.2092 -0.2092 3.9082 3.9082 4.2775 4.2775 7.8920 7.8920 8.0664 8.0664 8.6494 8.6494 11.8385 11.8385 12.1141 12.1141 12.6353 12.6353 12.9530 12.9530 13.2161 13.2161 13.3679 13.3679 k = 0.0000 0.1364-0.0000 ( 4292 PWs) bands (ev): -30.9383 -30.9383 -12.2114 -12.2114 -11.8353 -11.8353 -11.8340 -11.8340 -7.4204 -7.4204 -7.4168 -7.4168 -7.3834 -7.3834 -7.3541 -7.3541 -7.3536 -7.3536 -7.3488 -7.3488 -4.9331 -4.9331 -4.9213 -4.9213 -4.9174 -4.9174 -4.8492 -4.8492 -4.8400 -4.8400 -4.8388 -4.8388 -4.7066 -4.7066 -4.6496 -4.6496 -4.6435 -4.6435 -0.1856 -0.1856 3.8278 3.8278 4.2847 4.2847 7.9067 7.9067 8.1177 8.1177 8.6896 8.6896 11.7182 11.7182 12.0272 12.0272 12.5478 12.5478 13.0173 13.0173 13.2240 13.2240 13.3696 13.3696 k = 0.0000 0.1515-0.0000 ( 4292 PWs) bands (ev): -30.9383 -30.9383 -12.2116 -12.2116 -11.8357 -11.8357 -11.8340 -11.8340 -7.4201 -7.4201 -7.4157 -7.4157 -7.3828 -7.3828 -7.3542 -7.3542 -7.3536 -7.3536 -7.3489 -7.3489 -4.9323 -4.9323 -4.9203 -4.9203 -4.9152 -4.9152 -4.8491 -4.8491 -4.8395 -4.8395 -4.8381 -4.8381 -4.7080 -4.7080 -4.6530 -4.6530 -4.6455 -4.6455 -0.1593 -0.1593 3.7420 3.7420 4.2925 4.2925 7.9229 7.9229 8.1711 8.1711 8.7345 8.7345 11.6000 11.6000 11.9395 11.9395 12.4623 12.4623 13.0758 13.0758 13.2408 13.2408 13.3715 13.3715 k = 0.0000 0.1667-0.0000 ( 4308 PWs) bands (ev): -30.9383 -30.9383 -12.2118 -12.2118 -11.8361 -11.8361 -11.8341 -11.8341 -7.4198 -7.4198 -7.4144 -7.4144 -7.3822 -7.3822 -7.3543 -7.3543 -7.3537 -7.3537 -7.3489 -7.3489 -4.9315 -4.9315 -4.9193 -4.9193 -4.9127 -4.9127 -4.8489 -4.8489 -4.8389 -4.8389 -4.8372 -4.8372 -4.7094 -4.7094 -4.6566 -4.6566 -4.6476 -4.6476 -0.1303 -0.1303 3.6517 3.6517 4.3010 4.3010 7.9403 7.9403 8.2261 8.2261 8.7839 8.7839 11.4844 11.4844 11.8514 11.8514 12.3790 12.3790 13.1120 13.1120 13.2795 13.2795 13.3735 13.3735 k = 0.0000 0.1818-0.0000 ( 4300 PWs) bands (ev): -30.9383 -30.9383 -12.2120 -12.2120 -11.8365 -11.8365 -11.8342 -11.8342 -7.4195 -7.4195 -7.4131 -7.4131 -7.3816 -7.3816 -7.3543 -7.3543 -7.3539 -7.3539 -7.3489 -7.3489 -4.9307 -4.9307 -4.9182 -4.9182 -4.9100 -4.9100 -4.8488 -4.8488 -4.8383 -4.8383 -4.8363 -4.8363 -4.7110 -4.7110 -4.6605 -4.6605 -4.6498 -4.6498 -0.0987 -0.0987 3.5576 3.5576 4.3100 4.3100 7.9589 7.9589 8.2821 8.2821 8.8373 8.8373 11.3719 11.3719 11.7630 11.7630 12.2978 12.2978 13.1179 13.1179 13.3429 13.3429 13.3756 13.3756 k = 0.0000 0.1970-0.0000 ( 4296 PWs) bands (ev): -30.9383 -30.9383 -12.2122 -12.2122 -11.8369 -11.8369 -11.8343 -11.8343 -7.4192 -7.4192 -7.4117 -7.4117 -7.3809 -7.3809 -7.3544 -7.3544 -7.3541 -7.3541 -7.3488 -7.3488 -4.9299 -4.9299 -4.9172 -4.9172 -4.9069 -4.9069 -4.8485 -4.8485 -4.8377 -4.8377 -4.8353 -4.8353 -4.7128 -4.7128 -4.6646 -4.6646 -4.6522 -4.6522 -0.0645 -0.0645 3.4604 3.4604 4.3195 4.3195 7.9785 7.9785 8.3389 8.3389 8.8946 8.8946 11.2629 11.2629 11.6746 11.6746 12.2188 12.2188 13.1020 13.1020 13.3778 13.3778 13.4135 13.4135 k = 0.0000 0.2121-0.0000 ( 4296 PWs) bands (ev): -30.9383 -30.9383 -12.2124 -12.2124 -11.8373 -11.8373 -11.8344 -11.8344 -7.4189 -7.4189 -7.4103 -7.4103 -7.3801 -7.3801 -7.3546 -7.3546 -7.3544 -7.3544 -7.3487 -7.3487 -4.9291 -4.9291 -4.9161 -4.9161 -4.9036 -4.9036 -4.8482 -4.8482 -4.8370 -4.8370 -4.8342 -4.8342 -4.7146 -4.7146 -4.6690 -4.6690 -4.6547 -4.6547 -0.0277 -0.0277 3.3609 3.3609 4.3294 4.3294 7.9990 7.9990 8.3962 8.3962 8.9551 8.9551 11.1577 11.1577 11.5861 11.5861 12.1422 12.1422 13.0710 13.0710 13.3801 13.3801 13.4709 13.4709 k = 0.0000 0.2273-0.0000 ( 4296 PWs) bands (ev): -30.9383 -30.9383 -12.2126 -12.2126 -11.8378 -11.8378 -11.8344 -11.8344 -7.4186 -7.4186 -7.4087 -7.4087 -7.3794 -7.3794 -7.3548 -7.3548 -7.3547 -7.3547 -7.3486 -7.3486 -4.9283 -4.9283 -4.9150 -4.9150 -4.9001 -4.9001 -4.8479 -4.8479 -4.8363 -4.8363 -4.8330 -4.8330 -4.7166 -4.7166 -4.6736 -4.6736 -4.6573 -4.6573 0.0116 0.0116 3.2597 3.2597 4.3396 4.3396 8.0202 8.0202 8.4541 8.4541 9.0185 9.0185 11.0566 11.0566 11.4978 11.4978 12.0678 12.0678 13.0278 13.0278 13.3825 13.3825 13.5040 13.5040 k = 0.0000 0.2424-0.0000 ( 4300 PWs) bands (ev): -30.9382 -30.9382 -12.2129 -12.2129 -11.8383 -11.8383 -11.8345 -11.8345 -7.4182 -7.4182 -7.4071 -7.4071 -7.3786 -7.3786 -7.3553 -7.3553 -7.3549 -7.3549 -7.3484 -7.3484 -4.9276 -4.9276 -4.9139 -4.9139 -4.8963 -4.8963 -4.8475 -4.8475 -4.8356 -4.8356 -4.8318 -4.8318 -4.7188 -4.7188 -4.6784 -4.6784 -4.6600 -4.6600 0.0532 0.0532 3.1572 3.1572 4.3501 4.3501 8.0419 8.0419 8.5126 8.5126 9.0841 9.0841 10.9600 10.9600 11.4097 11.4097 11.9960 11.9960 12.9748 12.9748 13.3848 13.3848 13.5199 13.5199 k = 0.0000 0.2576-0.0000 ( 4296 PWs) bands (ev): -30.9382 -30.9382 -12.2131 -12.2131 -11.8387 -11.8387 -11.8346 -11.8346 -7.4179 -7.4179 -7.4054 -7.4054 -7.3777 -7.3777 -7.3559 -7.3559 -7.3550 -7.3550 -7.3482 -7.3482 -4.9268 -4.9268 -4.9129 -4.9129 -4.8924 -4.8924 -4.8470 -4.8470 -4.8348 -4.8348 -4.8305 -4.8305 -4.7210 -4.7210 -4.6833 -4.6833 -4.6628 -4.6628 0.0973 0.0973 3.0541 3.0541 4.3608 4.3608 8.0638 8.0638 8.5715 8.5715 9.1516 9.1516 10.8680 10.8680 11.3219 11.3219 11.9267 11.9267 12.9141 12.9141 13.3873 13.3873 13.5289 13.5289 k = 0.0000 0.2727-0.0000 ( 4284 PWs) bands (ev): -30.9382 -30.9382 -12.2133 -12.2133 -11.8391 -11.8391 -11.8347 -11.8347 -7.4176 -7.4176 -7.4037 -7.4037 -7.3769 -7.3769 -7.3565 -7.3565 -7.3553 -7.3553 -7.3480 -7.3480 -4.9262 -4.9262 -4.9119 -4.9119 -4.8881 -4.8881 -4.8465 -4.8465 -4.8340 -4.8340 -4.8291 -4.8291 -4.7234 -4.7234 -4.6883 -4.6883 -4.6656 -4.6656 0.1435 0.1435 2.9508 2.9508 4.3715 4.3715 8.0860 8.0860 8.6310 8.6310 9.2203 9.2203 10.7809 10.7809 11.2344 11.2344 11.8600 11.8600 12.8477 12.8477 13.3897 13.3897 13.5355 13.5355 k = 0.0000 0.2879-0.0000 ( 4284 PWs) bands (ev): -30.9382 -30.9382 -12.2135 -12.2135 -11.8396 -11.8396 -11.8347 -11.8347 -7.4173 -7.4173 -7.4019 -7.4019 -7.3760 -7.3760 -7.3573 -7.3573 -7.3555 -7.3555 -7.3477 -7.3477 -4.9255 -4.9255 -4.9110 -4.9110 -4.8837 -4.8837 -4.8459 -4.8459 -4.8332 -4.8332 -4.8277 -4.8277 -4.7259 -4.7259 -4.6934 -4.6934 -4.6684 -4.6684 0.1919 0.1919 2.8477 2.8477 4.3822 4.3822 8.1080 8.1080 8.6911 8.6911 9.2898 9.2898 10.6990 10.6990 11.1473 11.1473 11.7962 11.7962 12.7773 12.7773 13.3921 13.3921 13.5408 13.5408 k = 0.0000 0.3030-0.0000 ( 4292 PWs) bands (ev): -30.9382 -30.9382 -12.2137 -12.2137 -11.8400 -11.8400 -11.8348 -11.8348 -7.4170 -7.4170 -7.4001 -7.4001 -7.3751 -7.3751 -7.3581 -7.3581 -7.3558 -7.3558 -7.3475 -7.3475 -4.9249 -4.9249 -4.9101 -4.9101 -4.8792 -4.8792 -4.8452 -4.8452 -4.8323 -4.8323 -4.8262 -4.8262 -4.7286 -4.7286 -4.6984 -4.6984 -4.6712 -4.6712 0.2422 0.2422 2.7454 2.7454 4.3928 4.3928 8.1297 8.1297 8.7517 8.7517 9.3595 9.3595 10.6223 10.6223 11.0608 11.0608 11.7353 11.7353 12.7043 12.7043 13.3944 13.3944 13.5440 13.5440 k = 0.0000 0.3182-0.0000 ( 4280 PWs) bands (ev): -30.9382 -30.9382 -12.2139 -12.2139 -11.8404 -11.8404 -11.8349 -11.8349 -7.4167 -7.4167 -7.3983 -7.3983 -7.3741 -7.3741 -7.3589 -7.3589 -7.3561 -7.3561 -7.3472 -7.3472 -4.9243 -4.9243 -4.9094 -4.9094 -4.8744 -4.8744 -4.8445 -4.8445 -4.8315 -4.8315 -4.8247 -4.8247 -4.7315 -4.7315 -4.7034 -4.7034 -4.6740 -4.6740 0.2943 0.2943 2.6442 2.6442 4.4031 4.4031 8.1508 8.1508 8.8129 8.8129 9.4291 9.4291 10.5511 10.5511 10.9749 10.9749 11.6776 11.6776 12.6300 12.6300 13.3967 13.3967 13.5440 13.5440 k = 0.0000 0.3333-0.0000 ( 4284 PWs) bands (ev): -30.9382 -30.9382 -12.2141 -12.2141 -11.8408 -11.8408 -11.8349 -11.8349 -7.4164 -7.4164 -7.3964 -7.3964 -7.3732 -7.3732 -7.3599 -7.3599 -7.3564 -7.3564 -7.3470 -7.3470 -4.9237 -4.9237 -4.9086 -4.9086 -4.8695 -4.8695 -4.8437 -4.8437 -4.8306 -4.8306 -4.8231 -4.8231 -4.7347 -4.7347 -4.7082 -4.7082 -4.6768 -4.6768 0.3479 0.3479 2.5447 2.5447 4.4132 4.4132 8.1712 8.1712 8.8744 8.8744 9.4979 9.4979 10.4855 10.4855 10.8899 10.8899 11.6232 11.6232 12.5557 12.5557 13.3989 13.3989 13.5388 13.5388 k = 0.0000 0.3485-0.0000 ( 4292 PWs) bands (ev): -30.9382 -30.9382 -12.2143 -12.2143 -11.8412 -11.8412 -11.8350 -11.8350 -7.4162 -7.4162 -7.3945 -7.3945 -7.3723 -7.3723 -7.3609 -7.3609 -7.3567 -7.3567 -7.3467 -7.3467 -4.9232 -4.9232 -4.9080 -4.9080 -4.8645 -4.8645 -4.8430 -4.8430 -4.8297 -4.8297 -4.8216 -4.8216 -4.7381 -4.7381 -4.7128 -4.7128 -4.6794 -4.6794 0.4028 0.4028 2.4474 2.4474 4.4227 4.4227 8.1906 8.1906 8.9360 8.9360 9.5655 9.5655 10.4255 10.4255 10.8060 10.8060 11.5724 11.5724 12.4822 12.4822 13.4009 13.4009 13.5273 13.5273 k = 0.0000 0.3636-0.0000 ( 4280 PWs) bands (ev): -30.9382 -30.9382 -12.2145 -12.2145 -11.8416 -11.8416 -11.8351 -11.8351 -7.4159 -7.4159 -7.3926 -7.3926 -7.3714 -7.3714 -7.3620 -7.3620 -7.3571 -7.3571 -7.3465 -7.3465 -4.9228 -4.9228 -4.9075 -4.9075 -4.8594 -4.8594 -4.8422 -4.8422 -4.8289 -4.8289 -4.8201 -4.8201 -4.7418 -4.7418 -4.7170 -4.7170 -4.6820 -4.6820 0.4584 0.4584 2.3528 2.3528 4.4317 4.4317 8.2089 8.2089 8.9974 8.9974 9.6314 9.6314 10.3714 10.3714 10.7233 10.7233 11.5253 11.5253 12.4107 12.4107 13.4029 13.4029 13.5093 13.5093 k = 0.0000 0.3788-0.0000 ( 4284 PWs) bands (ev): -30.9381 -30.9381 -12.2147 -12.2147 -11.8419 -11.8419 -11.8351 -11.8351 -7.4157 -7.4157 -7.3907 -7.3907 -7.3705 -7.3705 -7.3632 -7.3632 -7.3575 -7.3575 -7.3463 -7.3463 -4.9223 -4.9223 -4.9070 -4.9070 -4.8543 -4.8543 -4.8415 -4.8415 -4.8280 -4.8280 -4.8186 -4.8186 -4.7459 -4.7459 -4.7208 -4.7208 -4.6844 -4.6844 0.5144 0.5144 2.2617 2.2617 4.4401 4.4401 8.2257 8.2257 9.0581 9.0581 9.6951 9.6951 10.3231 10.3231 10.6423 10.6423 11.4822 11.4822 12.3422 12.3422 13.4047 13.4047 13.4861 13.4861 k = 0.0000 0.3939-0.0000 ( 4284 PWs) bands (ev): -30.9381 -30.9381 -12.2148 -12.2148 -11.8422 -11.8422 -11.8352 -11.8352 -7.4155 -7.4155 -7.3888 -7.3888 -7.3696 -7.3696 -7.3644 -7.3644 -7.3580 -7.3580 -7.3461 -7.3461 -4.9220 -4.9220 -4.9066 -4.9066 -4.8492 -4.8492 -4.8408 -4.8408 -4.8272 -4.8272 -4.8172 -4.8172 -4.7503 -4.7503 -4.7241 -4.7241 -4.6866 -4.6866 0.5699 0.5699 2.1748 2.1748 4.4478 4.4478 8.2410 8.2410 9.1176 9.1176 9.7562 9.7562 10.2806 10.2806 10.5633 10.5633 11.4435 11.4435 12.2777 12.2777 13.4063 13.4063 13.4604 13.4604 k = 0.0000 0.4091-0.0000 ( 4284 PWs) bands (ev): -30.9381 -30.9381 -12.2150 -12.2150 -11.8425 -11.8425 -11.8352 -11.8352 -7.4153 -7.4153 -7.3870 -7.3870 -7.3687 -7.3687 -7.3656 -7.3656 -7.3585 -7.3585 -7.3459 -7.3459 -4.9216 -4.9216 -4.9062 -4.9062 -4.8441 -4.8441 -4.8402 -4.8402 -4.8265 -4.8265 -4.8158 -4.8158 -4.7548 -4.7548 -4.7270 -4.7270 -4.6886 -4.6886 0.6240 0.6240 2.0933 2.0933 4.4546 4.4546 8.2545 8.2545 9.1749 9.1749 9.8142 9.8142 10.2439 10.2439 10.4868 10.4868 11.4092 11.4092 12.2185 12.2185 13.4077 13.4077 13.4346 13.4346 k = 0.0000 0.4242-0.0000 ( 4276 PWs) bands (ev): -30.9381 -30.9381 -12.2150 -12.2150 -11.8427 -11.8427 -11.8352 -11.8352 -7.4152 -7.4152 -7.3851 -7.3851 -7.3679 -7.3679 -7.3670 -7.3670 -7.3589 -7.3589 -7.3458 -7.3458 -4.9214 -4.9214 -4.9060 -4.9060 -4.8396 -4.8396 -4.8392 -4.8392 -4.8258 -4.8258 -4.8146 -4.8146 -4.7595 -4.7595 -4.7293 -4.7293 -4.6904 -4.6904 0.6756 0.6756 2.0184 2.0184 4.4605 4.4605 8.2662 8.2662 9.2289 9.2289 9.8688 9.8688 10.2131 10.2131 10.4133 10.4133 11.3797 11.3797 12.1656 12.1656 13.4090 13.4090 13.4107 13.4107 k = 0.0000 0.4394-0.0000 ( 4276 PWs) bands (ev): -30.9381 -30.9381 -12.2151 -12.2151 -11.8429 -11.8429 -11.8353 -11.8353 -7.4151 -7.4151 -7.3834 -7.3834 -7.3683 -7.3683 -7.3671 -7.3671 -7.3594 -7.3594 -7.3457 -7.3457 -4.9211 -4.9211 -4.9057 -4.9057 -4.8392 -4.8392 -4.8346 -4.8346 -4.8251 -4.8251 -4.8134 -4.8134 -4.7640 -4.7640 -4.7312 -4.7312 -4.6919 -4.6919 0.7229 0.7229 1.9519 1.9519 4.4655 4.4655 8.2759 8.2759 9.2778 9.2778 9.9201 9.9201 10.1880 10.1880 10.3436 10.3436 11.3552 11.3552 12.1202 12.1202 13.3900 13.3900 13.4100 13.4100 k = 0.0000 0.4545-0.0000 ( 4276 PWs) bands (ev): -30.9381 -30.9381 -12.2152 -12.2152 -11.8430 -11.8430 -11.8353 -11.8353 -7.4150 -7.4150 -7.3817 -7.3817 -7.3696 -7.3696 -7.3664 -7.3664 -7.3599 -7.3599 -7.3456 -7.3456 -4.9210 -4.9210 -4.9056 -4.9056 -4.8388 -4.8388 -4.8305 -4.8305 -4.8246 -4.8246 -4.8125 -4.8125 -4.7681 -4.7681 -4.7327 -4.7327 -4.6931 -4.6931 0.7638 0.7638 1.8960 1.8960 4.4694 4.4694 8.2836 8.2836 9.3199 9.3199 9.9684 9.9684 10.1686 10.1686 10.2783 10.2783 11.3359 11.3359 12.0834 12.0834 13.3732 13.3732 13.4108 13.4108 k = 0.0000 0.4697-0.0000 ( 4276 PWs) bands (ev): -30.9381 -30.9381 -12.2153 -12.2153 -11.8431 -11.8431 -11.8353 -11.8353 -7.4149 -7.4149 -7.3803 -7.3803 -7.3709 -7.3709 -7.3658 -7.3658 -7.3603 -7.3603 -7.3455 -7.3455 -4.9208 -4.9208 -4.9055 -4.9055 -4.8385 -4.8385 -4.8272 -4.8272 -4.8243 -4.8243 -4.8117 -4.8117 -4.7715 -4.7715 -4.7338 -4.7338 -4.6939 -4.6939 0.7959 0.7959 1.8532 1.8532 4.4722 4.4722 8.2891 8.2891 9.3525 9.3525 10.0146 10.0146 10.1547 10.1547 10.2181 10.2181 11.3220 11.3220 12.0563 12.0563 13.3609 13.3609 13.4114 13.4114 k = 0.0000 0.4848-0.0000 ( 4292 PWs) bands (ev): -30.9381 -30.9381 -12.2153 -12.2153 -11.8432 -11.8432 -11.8354 -11.8354 -7.4149 -7.4149 -7.3791 -7.3791 -7.3718 -7.3718 -7.3654 -7.3654 -7.3606 -7.3606 -7.3455 -7.3455 -4.9208 -4.9208 -4.9054 -4.9054 -4.8383 -4.8383 -4.8250 -4.8250 -4.8240 -4.8240 -4.8111 -4.8111 -4.7738 -4.7738 -4.7344 -4.7344 -4.6945 -4.6945 0.8165 0.8165 1.8261 1.8261 4.4740 4.4740 8.2924 8.2924 9.3734 9.3734 10.0595 10.0595 10.1465 10.1465 10.1637 10.1637 11.3136 11.3136 12.0397 12.0397 13.3534 13.3534 13.4117 13.4117 k = 0.0000 0.5000-0.0000 ( 4292 PWs) bands (ev): -30.9381 -30.9381 -12.2153 -12.2153 -11.8433 -11.8433 -11.8354 -11.8354 -7.4149 -7.4149 -7.3787 -7.3787 -7.3722 -7.3722 -7.3652 -7.3652 -7.3608 -7.3608 -7.3454 -7.3454 -4.9207 -4.9207 -4.9054 -4.9054 -4.8383 -4.8383 -4.8243 -4.8243 -4.8240 -4.8240 -4.8109 -4.8109 -4.7747 -4.7747 -4.7346 -4.7346 -4.6947 -4.6947 0.8236 0.8236 1.8169 1.8169 4.4745 4.4745 8.2935 8.2935 9.3806 9.3806 10.0935 10.0935 10.1264 10.1264 10.1437 10.1437 11.3108 11.3108 12.0341 12.0341 13.3509 13.3509 13.4118 13.4118 k = 0.0000 0.5000-0.0000 ( 4292 PWs) bands (ev): -30.9381 -30.9381 -12.2153 -12.2153 -11.8433 -11.8433 -11.8354 -11.8354 -7.4149 -7.4149 -7.3787 -7.3787 -7.3722 -7.3722 -7.3652 -7.3652 -7.3608 -7.3608 -7.3454 -7.3454 -4.9207 -4.9207 -4.9054 -4.9054 -4.8383 -4.8383 -4.8243 -4.8243 -4.8240 -4.8240 -4.8109 -4.8109 -4.7747 -4.7747 -4.7346 -4.7346 -4.6947 -4.6947 0.8236 0.8236 1.8169 1.8169 4.4745 4.4745 8.2935 8.2935 9.3806 9.3806 10.0935 10.0935 10.1264 10.1264 10.1437 10.1437 11.3108 11.3108 12.0341 12.0341 13.3509 13.3509 13.4118 13.4118 k = 0.0152 0.5000-0.0000 ( 4292 PWs) bands (ev): -30.9381 -30.9381 -12.2154 -12.2154 -11.8433 -11.8433 -11.8354 -11.8354 -7.4148 -7.4148 -7.3787 -7.3787 -7.3723 -7.3723 -7.3654 -7.3654 -7.3606 -7.3606 -7.3454 -7.3454 -4.9207 -4.9207 -4.9054 -4.9054 -4.8385 -4.8385 -4.8242 -4.8242 -4.8239 -4.8239 -4.8108 -4.8108 -4.7746 -4.7746 -4.7347 -4.7347 -4.6948 -4.6948 0.8249 0.8249 1.8179 1.8179 4.4707 4.4707 8.2951 8.2951 9.3810 9.3810 9.9994 9.9994 10.1352 10.1352 10.2187 10.2187 11.3214 11.3214 12.0368 12.0368 13.3497 13.3497 13.4153 13.4153 k = 0.0303 0.5000-0.0000 ( 4284 PWs) bands (ev): -30.9381 -30.9381 -12.2153 -12.2153 -11.8432 -11.8432 -11.8354 -11.8354 -7.4147 -7.4147 -7.3788 -7.3788 -7.3725 -7.3725 -7.3656 -7.3656 -7.3601 -7.3601 -7.3454 -7.3454 -4.9204 -4.9204 -4.9053 -4.9053 -4.8389 -4.8389 -4.8242 -4.8242 -4.8239 -4.8239 -4.8107 -4.8107 -4.7742 -4.7742 -4.7348 -4.7348 -4.6953 -4.6953 0.8288 0.8288 1.8210 1.8210 4.4593 4.4593 8.2999 8.2999 9.3820 9.3820 9.8794 9.8794 10.1385 10.1385 10.3047 10.3047 11.3529 11.3529 12.0450 12.0450 13.3459 13.3459 13.4257 13.4257 k = 0.0455 0.5000-0.0000 ( 4284 PWs) bands (ev): -30.9381 -30.9381 -12.2154 -12.2154 -11.8432 -11.8432 -11.8355 -11.8355 -7.4145 -7.4145 -7.3789 -7.3789 -7.3728 -7.3728 -7.3659 -7.3659 -7.3594 -7.3594 -7.3454 -7.3454 -4.9200 -4.9200 -4.9052 -4.9052 -4.8396 -4.8396 -4.8241 -4.8241 -4.8238 -4.8238 -4.8104 -4.8104 -4.7737 -4.7737 -4.7349 -4.7349 -4.6960 -4.6960 0.8354 0.8354 1.8261 1.8261 4.4403 4.4403 8.3078 8.3078 9.3824 9.3824 9.7544 9.7544 10.1437 10.1437 10.3760 10.3760 11.4029 11.4029 12.0591 12.0591 13.3394 13.3394 13.4429 13.4429 k = 0.0606 0.5000-0.0000 ( 4292 PWs) bands (ev): -30.9381 -30.9381 -12.2154 -12.2154 -11.8432 -11.8432 -11.8356 -11.8356 -7.4143 -7.4143 -7.3791 -7.3791 -7.3732 -7.3732 -7.3662 -7.3662 -7.3586 -7.3586 -7.3454 -7.3454 -4.9195 -4.9195 -4.9050 -4.9050 -4.8406 -4.8406 -4.8240 -4.8240 -4.8236 -4.8236 -4.8100 -4.8100 -4.7729 -4.7729 -4.7352 -4.7352 -4.6971 -4.6971 0.8445 0.8445 1.8333 1.8333 4.4141 4.4141 8.3185 8.3185 9.3785 9.3785 9.6314 9.6314 10.1509 10.1509 10.4318 10.4318 11.4678 11.4678 12.0799 12.0799 13.3299 13.3299 13.4667 13.4667 k = 0.0758 0.5000-0.0000 ( 4286 PWs) bands (ev): -30.9381 -30.9381 -12.2154 -12.2154 -11.8432 -11.8432 -11.8356 -11.8356 -7.4140 -7.4140 -7.3793 -7.3793 -7.3737 -7.3737 -7.3665 -7.3665 -7.3578 -7.3578 -7.3453 -7.3453 -4.9188 -4.9188 -4.9048 -4.9048 -4.8417 -4.8417 -4.8239 -4.8239 -4.8235 -4.8235 -4.8096 -4.8096 -4.7720 -4.7720 -4.7355 -4.7355 -4.6984 -4.6984 0.8563 0.8563 1.8425 1.8425 4.3809 4.3809 8.3315 8.3315 9.3555 9.3555 9.5273 9.5273 10.1602 10.1602 10.4736 10.4736 11.5417 11.5417 12.1087 12.1087 13.3171 13.3171 13.4968 13.4968 k = 0.0909 0.5000-0.0000 ( 4286 PWs) bands (ev): -30.9381 -30.9381 -12.2155 -12.2155 -11.8432 -11.8432 -11.8358 -11.8358 -7.4136 -7.4136 -7.3796 -7.3796 -7.3743 -7.3743 -7.3667 -7.3667 -7.3569 -7.3569 -7.3453 -7.3453 -4.9180 -4.9180 -4.9046 -4.9046 -4.8430 -4.8430 -4.8238 -4.8238 -4.8233 -4.8233 -4.8092 -4.8092 -4.7709 -4.7709 -4.7358 -4.7358 -4.7000 -4.7000 0.8706 0.8706 1.8536 1.8536 4.3411 4.3411 8.3463 8.3463 9.2810 9.2810 9.4767 9.4767 10.1714 10.1714 10.5034 10.5034 11.6178 11.6178 12.1473 12.1473 13.3008 13.3008 13.5327 13.5327 k = 0.1061 0.5000-0.0000 ( 4286 PWs) bands (ev): -30.9381 -30.9381 -12.2155 -12.2155 -11.8432 -11.8432 -11.8359 -11.8359 -7.4132 -7.4132 -7.3799 -7.3799 -7.3750 -7.3750 -7.3668 -7.3668 -7.3560 -7.3560 -7.3452 -7.3452 -4.9171 -4.9171 -4.9043 -4.9043 -4.8444 -4.8444 -4.8237 -4.8237 -4.8231 -4.8231 -4.8088 -4.8088 -4.7696 -4.7696 -4.7363 -4.7363 -4.7019 -4.7019 0.8875 0.8875 1.8666 1.8666 4.2950 4.2950 8.3617 8.3617 9.1673 9.1673 9.4692 9.4692 10.1846 10.1846 10.5238 10.5238 11.6887 11.6887 12.1979 12.1979 13.2802 13.2802 13.5738 13.5738 k = 0.1212 0.5000-0.0000 ( 4278 PWs) bands (ev): -30.9381 -30.9381 -12.2156 -12.2156 -11.8432 -11.8432 -11.8360 -11.8360 -7.4127 -7.4127 -7.3802 -7.3802 -7.3758 -7.3758 -7.3668 -7.3668 -7.3551 -7.3551 -7.3451 -7.3451 -4.9160 -4.9160 -4.9039 -4.9039 -4.8458 -4.8458 -4.8236 -4.8236 -4.8229 -4.8229 -4.8084 -4.8084 -4.7681 -4.7681 -4.7368 -4.7368 -4.7040 -4.7040 0.9071 0.9071 1.8814 1.8814 4.2431 4.2431 8.3758 8.3758 9.0455 9.0455 9.4768 9.4768 10.1995 10.1995 10.5368 10.5368 11.7483 11.7483 12.2619 12.2619 13.2550 13.2550 13.6195 13.6195 k = 0.1364 0.5000-0.0000 ( 4282 PWs) bands (ev): -30.9381 -30.9381 -12.2157 -12.2157 -11.8432 -11.8432 -11.8362 -11.8362 -7.4122 -7.4122 -7.3805 -7.3805 -7.3765 -7.3765 -7.3668 -7.3668 -7.3543 -7.3543 -7.3450 -7.3450 -4.9148 -4.9148 -4.9034 -4.9034 -4.8472 -4.8472 -4.8234 -4.8234 -4.8227 -4.8227 -4.8080 -4.8080 -4.7666 -4.7666 -4.7373 -4.7373 -4.7064 -4.7064 0.9292 0.9292 1.8979 1.8979 4.1858 4.1858 8.3848 8.3848 8.9286 8.9286 9.4906 9.4906 10.2161 10.2161 10.5442 10.5442 11.7927 11.7927 12.3387 12.3387 13.2244 13.2244 13.6687 13.6687 k = 0.1515 0.5000-0.0000 ( 4282 PWs) bands (ev): -30.9381 -30.9381 -12.2157 -12.2157 -11.8432 -11.8432 -11.8364 -11.8364 -7.4116 -7.4116 -7.3809 -7.3809 -7.3773 -7.3773 -7.3668 -7.3668 -7.3535 -7.3535 -7.3449 -7.3449 -4.9135 -4.9135 -4.9029 -4.9029 -4.8487 -4.8487 -4.8233 -4.8233 -4.8226 -4.8226 -4.8077 -4.8077 -4.7649 -4.7649 -4.7380 -4.7380 -4.7090 -4.7090 0.9538 0.9538 1.9161 1.9161 4.1236 4.1236 8.3813 8.3813 8.8268 8.8268 9.5084 9.5084 10.2339 10.2339 10.5476 10.5476 11.8216 11.8216 12.4248 12.4248 13.1882 13.1882 13.7208 13.7208 k = 0.1667 0.5000-0.0000 ( 4286 PWs) bands (ev): -30.9381 -30.9381 -12.2158 -12.2158 -11.8432 -11.8432 -11.8366 -11.8366 -7.4110 -7.4110 -7.3813 -7.3813 -7.3781 -7.3781 -7.3668 -7.3668 -7.3527 -7.3527 -7.3448 -7.3448 -4.9122 -4.9122 -4.9022 -4.9022 -4.8501 -4.8501 -4.8231 -4.8231 -4.8224 -4.8224 -4.8074 -4.8074 -4.7632 -4.7632 -4.7387 -4.7387 -4.7118 -4.7118 0.9810 0.9810 1.9358 1.9358 4.0570 4.0570 8.3535 8.3535 8.7533 8.7533 9.5292 9.5292 10.2527 10.2527 10.5482 10.5482 11.8362 11.8362 12.5158 12.5158 13.1462 13.1462 13.7749 13.7749 k = 0.1818 0.5000-0.0000 ( 4282 PWs) bands (ev): -30.9381 -30.9381 -12.2159 -12.2159 -11.8432 -11.8432 -11.8368 -11.8368 -7.4103 -7.4103 -7.3816 -7.3816 -7.3788 -7.3788 -7.3667 -7.3667 -7.3520 -7.3520 -7.3446 -7.3446 -4.9108 -4.9108 -4.9014 -4.9014 -4.8515 -4.8515 -4.8230 -4.8230 -4.8223 -4.8223 -4.8071 -4.8071 -4.7614 -4.7614 -4.7395 -4.7395 -4.7147 -4.7147 1.0108 1.0108 1.9570 1.9570 3.9864 3.9864 8.2922 8.2922 8.7179 8.7179 9.5527 9.5527 10.2719 10.2719 10.5473 10.5473 11.8382 11.8382 12.6069 12.6069 13.0989 13.0989 13.8307 13.8307 k = 0.1970 0.5000-0.0000 ( 4290 PWs) bands (ev): -30.9381 -30.9381 -12.2160 -12.2160 -11.8432 -11.8432 -11.8370 -11.8370 -7.4096 -7.4096 -7.3820 -7.3820 -7.3795 -7.3795 -7.3666 -7.3666 -7.3515 -7.3515 -7.3444 -7.3444 -4.9095 -4.9095 -4.9004 -4.9004 -4.8528 -4.8528 -4.8228 -4.8228 -4.8223 -4.8223 -4.8068 -4.8068 -4.7596 -4.7596 -4.7404 -4.7404 -4.7178 -4.7178 1.0430 1.0430 1.9794 1.9794 3.9124 3.9124 8.2030 8.2030 8.7154 8.7154 9.5787 9.5787 10.2909 10.2909 10.5460 10.5460 11.8293 11.8293 12.6931 12.6931 13.0481 13.0481 13.8879 13.8879 k = 0.2121 0.5000-0.0000 ( 4294 PWs) bands (ev): -30.9380 -30.9380 -12.2161 -12.2161 -11.8432 -11.8432 -11.8372 -11.8372 -7.4090 -7.4090 -7.3824 -7.3824 -7.3802 -7.3802 -7.3664 -7.3664 -7.3510 -7.3510 -7.3441 -7.3441 -4.9082 -4.9082 -4.8992 -4.8992 -4.8541 -4.8541 -4.8226 -4.8226 -4.8222 -4.8222 -4.8066 -4.8066 -4.7578 -4.7578 -4.7415 -4.7415 -4.7209 -4.7209 1.0778 1.0778 2.0029 2.0029 3.8354 3.8354 8.0986 8.0986 8.7333 8.7333 9.6071 9.6071 10.3087 10.3087 10.5455 10.5455 11.8111 11.8111 12.7667 12.7667 12.9998 12.9998 13.9456 13.9456 k = 0.2273 0.5000-0.0000 ( 4290 PWs) bands (ev): -30.9380 -30.9380 -12.2162 -12.2162 -11.8433 -11.8433 -11.8374 -11.8374 -7.4083 -7.4083 -7.3828 -7.3828 -7.3808 -7.3808 -7.3663 -7.3663 -7.3507 -7.3507 -7.3437 -7.3437 -4.9069 -4.9069 -4.8977 -4.8977 -4.8552 -4.8552 -4.8225 -4.8225 -4.8221 -4.8221 -4.8064 -4.8064 -4.7561 -4.7561 -4.7427 -4.7427 -4.7239 -4.7239 1.1150 1.1150 2.0275 2.0275 3.7557 3.7557 7.9882 7.9882 8.7629 8.7629 9.6376 9.6376 10.3244 10.3244 10.5469 10.5469 11.7851 11.7851 12.8053 12.8053 12.9755 12.9755 13.9971 13.9971 k = 0.2424 0.5000-0.0000 ( 4284 PWs) bands (ev): -30.9380 -30.9380 -12.2163 -12.2163 -11.8433 -11.8433 -11.8376 -11.8376 -7.4076 -7.4076 -7.3833 -7.3833 -7.3813 -7.3813 -7.3661 -7.3661 -7.3505 -7.3505 -7.3433 -7.3433 -4.9058 -4.9058 -4.8961 -4.8961 -4.8562 -4.8562 -4.8226 -4.8226 -4.8219 -4.8219 -4.8062 -4.8062 -4.7544 -4.7544 -4.7443 -4.7443 -4.7268 -4.7268 1.1547 1.1547 2.0528 2.0528 3.6739 3.6739 7.8765 7.8765 8.7995 8.7995 9.6701 9.6701 10.3372 10.3372 10.5511 10.5511 11.7529 11.7529 12.7805 12.7805 13.0034 13.0034 14.0220 14.0220 k = 0.2576 0.5000-0.0000 ( 4280 PWs) bands (ev): -30.9380 -30.9380 -12.2163 -12.2163 -11.8433 -11.8433 -11.8378 -11.8378 -7.4069 -7.4069 -7.3838 -7.3838 -7.3816 -7.3816 -7.3660 -7.3660 -7.3504 -7.3504 -7.3428 -7.3428 -4.9048 -4.9048 -4.8943 -4.8943 -4.8571 -4.8571 -4.8227 -4.8227 -4.8217 -4.8217 -4.8061 -4.8061 -4.7528 -4.7528 -4.7462 -4.7462 -4.7294 -4.7294 1.1969 1.1969 2.0787 2.0787 3.5902 3.5902 7.7661 7.7661 8.8408 8.8408 9.7045 9.7045 10.3465 10.3465 10.5584 10.5584 11.7160 11.7160 12.7189 12.7189 13.0574 13.0574 14.0180 14.0180 k = 0.2727 0.5000-0.0000 ( 4298 PWs) bands (ev): -30.9380 -30.9380 -12.2165 -12.2165 -11.8434 -11.8434 -11.8380 -11.8380 -7.4063 -7.4063 -7.3843 -7.3843 -7.3819 -7.3819 -7.3658 -7.3658 -7.3504 -7.3504 -7.3423 -7.3423 -4.9038 -4.9038 -4.8923 -4.8923 -4.8577 -4.8577 -4.8229 -4.8229 -4.8214 -4.8214 -4.8060 -4.8060 -4.7516 -4.7516 -4.7484 -4.7484 -4.7316 -4.7316 1.2414 1.2414 2.1051 2.1051 3.5052 3.5052 7.6584 7.6584 8.8854 8.8854 9.7405 9.7405 10.3525 10.3525 10.5683 10.5683 11.6761 11.6761 12.6443 12.6443 13.1145 13.1145 13.9976 13.9976 k = 0.2879 0.5000-0.0000 ( 4302 PWs) bands (ev): -30.9380 -30.9380 -12.2166 -12.2166 -11.8434 -11.8434 -11.8382 -11.8382 -7.4057 -7.4057 -7.3848 -7.3848 -7.3821 -7.3821 -7.3655 -7.3655 -7.3506 -7.3506 -7.3418 -7.3418 -4.9030 -4.9030 -4.8902 -4.8902 -4.8582 -4.8582 -4.8231 -4.8231 -4.8211 -4.8211 -4.8059 -4.8059 -4.7526 -4.7526 -4.7489 -4.7489 -4.7333 -4.7333 1.2882 1.2882 2.1315 2.1315 3.4191 3.4191 7.5546 7.5546 8.9324 8.9324 9.7778 9.7778 10.3560 10.3560 10.5795 10.5795 11.6351 11.6351 12.5640 12.5640 13.1686 13.1686 13.9652 13.9652 k = 0.3030 0.5000-0.0000 ( 4300 PWs) bands (ev): -30.9380 -30.9380 -12.2167 -12.2167 -11.8435 -11.8435 -11.8383 -11.8383 -7.4052 -7.4052 -7.3853 -7.3853 -7.3822 -7.3822 -7.3653 -7.3653 -7.3508 -7.3508 -7.3412 -7.3412 -4.9022 -4.9022 -4.8881 -4.8881 -4.8583 -4.8583 -4.8235 -4.8235 -4.8208 -4.8208 -4.8058 -4.8058 -4.7558 -4.7558 -4.7479 -4.7479 -4.7346 -4.7346 1.3373 1.3373 2.1579 2.1579 3.3323 3.3323 7.4552 7.4552 8.9812 8.9812 9.8161 9.8161 10.3580 10.3580 10.5903 10.5903 11.5949 11.5949 12.4805 12.4805 13.2184 13.2184 13.9232 13.9232 k = 0.3182 0.5000-0.0000 ( 4300 PWs) bands (ev): -30.9380 -30.9380 -12.2167 -12.2167 -11.8435 -11.8435 -11.8385 -11.8385 -7.4046 -7.4046 -7.3858 -7.3858 -7.3822 -7.3822 -7.3650 -7.3650 -7.3511 -7.3511 -7.3407 -7.3407 -4.9014 -4.9014 -4.8861 -4.8861 -4.8582 -4.8582 -4.8238 -4.8238 -4.8205 -4.8205 -4.8058 -4.8058 -4.7595 -4.7595 -4.7469 -4.7469 -4.7353 -4.7353 1.3887 1.3887 2.1840 2.1840 3.2450 3.2450 7.3609 7.3609 9.0312 9.0312 9.8550 9.8550 10.3599 10.3599 10.5987 10.5987 11.5572 11.5572 12.3954 12.3954 13.2635 13.2635 13.8736 13.8736 k = 0.3333 0.5000-0.0000 ( 4312 PWs) bands (ev): -30.9380 -30.9380 -12.2169 -12.2169 -11.8436 -11.8436 -11.8387 -11.8387 -7.4042 -7.4042 -7.3863 -7.3863 -7.3822 -7.3822 -7.3648 -7.3648 -7.3515 -7.3515 -7.3402 -7.3402 -4.9006 -4.9006 -4.8843 -4.8843 -4.8576 -4.8576 -4.8242 -4.8242 -4.8201 -4.8201 -4.8058 -4.8058 -4.7636 -4.7636 -4.7461 -4.7461 -4.7357 -4.7357 1.4422 1.4422 2.2095 2.2095 3.1577 3.1577 7.2722 7.2722 9.0819 9.0819 9.8938 9.8938 10.3627 10.3627 10.6026 10.6026 11.5240 11.5240 12.3099 12.3099 13.3041 13.3041 13.8183 13.8183 k = 0.3485 0.5000-0.0000 ( 4308 PWs) bands (ev): -30.9380 -30.9380 -12.2169 -12.2169 -11.8437 -11.8437 -11.8388 -11.8388 -7.4038 -7.4038 -7.3868 -7.3868 -7.3821 -7.3821 -7.3644 -7.3644 -7.3519 -7.3519 -7.3397 -7.3397 -4.8999 -4.8999 -4.8827 -4.8827 -4.8565 -4.8565 -4.8246 -4.8246 -4.8198 -4.8198 -4.8059 -4.8059 -4.7678 -4.7678 -4.7456 -4.7456 -4.7358 -4.7358 1.4978 1.4978 2.2340 2.2340 3.0706 3.0706 7.1895 7.1895 9.1329 9.1329 9.9321 9.9321 10.3676 10.3676 10.6004 10.6004 11.4968 11.4968 12.2251 12.2251 13.3403 13.3403 13.7595 13.7595 k = 0.3636 0.5000-0.0000 ( 4308 PWs) bands (ev): -30.9380 -30.9380 -12.2170 -12.2170 -11.8438 -11.8438 -11.8389 -11.8389 -7.4034 -7.4034 -7.3872 -7.3872 -7.3819 -7.3819 -7.3641 -7.3641 -7.3524 -7.3524 -7.3392 -7.3392 -4.8993 -4.8993 -4.8814 -4.8814 -4.8550 -4.8550 -4.8250 -4.8250 -4.8195 -4.8195 -4.8060 -4.8060 -4.7722 -4.7722 -4.7453 -4.7453 -4.7355 -4.7355 1.5554 1.5554 2.2574 2.2574 2.9840 2.9840 7.1133 7.1133 9.1834 9.1834 9.9692 9.9692 10.3752 10.3752 10.5908 10.5908 11.4767 11.4767 12.1420 12.1420 13.3725 13.3725 13.6991 13.6991 k = 0.3788 0.5000-0.0000 ( 4312 PWs) bands (ev): -30.9380 -30.9380 -12.2171 -12.2171 -11.8438 -11.8438 -11.8390 -11.8390 -7.4032 -7.4032 -7.3876 -7.3876 -7.3817 -7.3817 -7.3637 -7.3637 -7.3529 -7.3529 -7.3388 -7.3388 -4.8987 -4.8987 -4.8803 -4.8803 -4.8529 -4.8529 -4.8255 -4.8255 -4.8193 -4.8193 -4.8063 -4.8063 -4.7765 -4.7765 -4.7452 -4.7452 -4.7351 -4.7351 1.6147 1.6147 2.2793 2.2793 2.8982 2.8982 7.0439 7.0439 9.2328 9.2328 10.0045 10.0045 10.3863 10.3863 10.5735 10.5735 11.4639 11.4639 12.0619 12.0619 13.4008 13.4008 13.6390 13.6390 k = 0.3939 0.5000-0.0000 ( 4310 PWs) bands (ev): -30.9380 -30.9380 -12.2171 -12.2171 -11.8439 -11.8439 -11.8391 -11.8391 -7.4029 -7.4029 -7.3879 -7.3879 -7.3815 -7.3815 -7.3633 -7.3633 -7.3534 -7.3534 -7.3384 -7.3384 -4.8981 -4.8981 -4.8796 -4.8796 -4.8504 -4.8504 -4.8259 -4.8259 -4.8190 -4.8190 -4.8067 -4.8067 -4.7807 -4.7807 -4.7452 -4.7452 -4.7346 -4.7346 1.6756 1.6756 2.2994 2.2994 2.8137 2.8137 6.9816 6.9816 9.2805 9.2805 10.0378 10.0378 10.4008 10.4008 10.5488 10.5488 11.4578 11.4578 11.9859 11.9859 13.4254 13.4254 13.5809 13.5809 k = 0.4091 0.5000-0.0000 ( 4310 PWs) bands (ev): -30.9379 -30.9379 -12.2172 -12.2172 -11.8440 -11.8440 -11.8391 -11.8391 -7.4027 -7.4027 -7.3882 -7.3882 -7.3813 -7.3813 -7.3629 -7.3629 -7.3540 -7.3540 -7.3381 -7.3381 -4.8976 -4.8976 -4.8791 -4.8791 -4.8475 -4.8475 -4.8262 -4.8262 -4.8189 -4.8189 -4.8072 -4.8072 -4.7847 -4.7847 -4.7453 -4.7453 -4.7340 -4.7340 1.7378 1.7378 2.3175 2.3175 2.7309 2.7309 6.9269 6.9269 9.3253 9.3253 10.0691 10.0691 10.4181 10.4181 10.5181 10.5181 11.4572 11.4572 11.9154 11.9154 13.4462 13.4462 13.5266 13.5266 k = 0.4242 0.5000-0.0000 ( 4310 PWs) bands (ev): -30.9379 -30.9379 -12.2172 -12.2172 -11.8440 -11.8440 -11.8392 -11.8392 -7.4026 -7.4026 -7.3885 -7.3885 -7.3811 -7.3811 -7.3625 -7.3625 -7.3546 -7.3546 -7.3378 -7.3378 -4.8972 -4.8972 -4.8787 -4.8787 -4.8443 -4.8443 -4.8266 -4.8266 -4.8189 -4.8189 -4.8080 -4.8080 -4.7883 -4.7883 -4.7454 -4.7454 -4.7335 -4.7335 1.8006 1.8006 2.3332 2.3332 2.6505 2.6505 6.8801 6.8801 9.3664 9.3664 10.0989 10.0989 10.4347 10.4347 10.4853 10.4853 11.4601 11.4601 11.8521 11.8521 13.4605 13.4605 13.4805 13.4805 k = 0.4394 0.5000-0.0000 ( 4312 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8441 -11.8441 -11.8392 -11.8392 -7.4024 -7.4024 -7.3887 -7.3887 -7.3810 -7.3810 -7.3620 -7.3620 -7.3551 -7.3551 -7.3375 -7.3375 -4.8968 -4.8968 -4.8785 -4.8785 -4.8410 -4.8410 -4.8268 -4.8268 -4.8190 -4.8190 -4.8091 -4.8091 -4.7914 -4.7914 -4.7455 -4.7455 -4.7330 -4.7330 1.8633 1.8633 2.3462 2.3462 2.5736 2.5736 6.8413 6.8413 9.4024 9.4024 10.1279 10.1279 10.4287 10.4287 10.4726 10.4726 11.4646 11.4646 11.7977 11.7977 13.4318 13.4318 13.4807 13.4807 k = 0.4545 0.5000-0.0000 ( 4302 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8441 -11.8441 -11.8392 -11.8392 -7.4023 -7.4023 -7.3888 -7.3888 -7.3808 -7.3808 -7.3616 -7.3616 -7.3556 -7.3556 -7.3373 -7.3373 -4.8965 -4.8965 -4.8783 -4.8783 -4.8375 -4.8375 -4.8270 -4.8270 -4.8196 -4.8196 -4.8104 -4.8104 -4.7938 -4.7938 -4.7456 -4.7456 -4.7327 -4.7327 1.9239 1.9239 2.3559 2.3559 2.5023 2.5023 6.8109 6.8109 9.4323 9.4323 10.1572 10.1572 10.3927 10.3927 10.4870 10.4870 11.4689 11.4689 11.7540 11.7540 13.3975 13.3975 13.4912 13.4912 k = 0.4697 0.5000-0.0000 ( 4300 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8441 -11.8441 -11.8393 -11.8393 -7.4023 -7.4023 -7.3890 -7.3890 -7.3807 -7.3807 -7.3612 -7.3612 -7.3561 -7.3561 -7.3372 -7.3372 -4.8963 -4.8963 -4.8782 -4.8782 -4.8341 -4.8341 -4.8270 -4.8270 -4.8207 -4.8207 -4.8117 -4.8117 -4.7955 -4.7955 -4.7456 -4.7456 -4.7324 -4.7324 1.9790 1.9790 2.3614 2.3614 2.4412 2.4412 6.7890 6.7890 9.4546 9.4546 10.1871 10.1871 10.3532 10.3532 10.5023 10.5023 11.4717 11.4717 11.7224 11.7224 13.3718 13.3718 13.4990 13.4990 k = 0.4848 0.5000-0.0000 ( 4312 PWs) bands (ev): -30.9379 -30.9379 -12.2174 -12.2174 -11.8442 -11.8442 -11.8393 -11.8393 -7.4023 -7.4023 -7.3890 -7.3890 -7.3806 -7.3806 -7.3610 -7.3610 -7.3564 -7.3564 -7.3371 -7.3371 -4.8962 -4.8962 -4.8782 -4.8782 -4.8314 -4.8314 -4.8266 -4.8266 -4.8225 -4.8225 -4.8125 -4.8125 -4.7964 -4.7964 -4.7457 -4.7457 -4.7322 -4.7322 2.0212 2.0212 2.3589 2.3589 2.4013 2.4013 6.7759 6.7759 9.4685 9.4685 10.2161 10.2161 10.3171 10.3171 10.5127 10.5127 11.4731 11.4731 11.7035 11.7035 13.3559 13.3559 13.5036 13.5036 k = 0.5000 0.5000-0.0000 ( 4324 PWs) bands (ev): -30.9379 -30.9379 -12.2174 -12.2174 -11.8442 -11.8442 -11.8393 -11.8393 -7.4022 -7.4022 -7.3891 -7.3891 -7.3806 -7.3806 -7.3609 -7.3609 -7.3565 -7.3565 -7.3371 -7.3371 -4.8961 -4.8961 -4.8782 -4.8782 -4.8303 -4.8303 -4.8256 -4.8256 -4.8241 -4.8241 -4.8128 -4.8128 -4.7967 -4.7967 -4.7457 -4.7457 -4.7321 -4.7321 2.0380 2.0380 2.3525 2.3525 2.3909 2.3909 6.7714 6.7714 9.4732 9.4732 10.2326 10.2326 10.2981 10.2981 10.5163 10.5163 11.4734 11.4734 11.6973 11.6973 13.3505 13.3505 13.5052 13.5052 k = 0.5000 0.5000-0.0000 ( 4324 PWs) bands (ev): -30.9379 -30.9379 -12.2174 -12.2174 -11.8442 -11.8442 -11.8393 -11.8393 -7.4022 -7.4022 -7.3891 -7.3891 -7.3806 -7.3806 -7.3609 -7.3609 -7.3565 -7.3565 -7.3371 -7.3371 -4.8961 -4.8961 -4.8782 -4.8782 -4.8303 -4.8303 -4.8256 -4.8256 -4.8241 -4.8241 -4.8128 -4.8128 -4.7967 -4.7967 -4.7457 -4.7457 -4.7321 -4.7321 2.0380 2.0380 2.3525 2.3525 2.3909 2.3909 6.7714 6.7714 9.4732 9.4732 10.2326 10.2326 10.2981 10.2981 10.5163 10.5163 11.4734 11.4734 11.6973 11.6973 13.3505 13.3505 13.5052 13.5052 k = 0.4891 0.4891-0.0000 ( 4312 PWs) bands (ev): -30.9379 -30.9379 -12.2174 -12.2174 -11.8442 -11.8442 -11.8393 -11.8393 -7.4023 -7.4023 -7.3890 -7.3890 -7.3806 -7.3806 -7.3610 -7.3610 -7.3564 -7.3564 -7.3371 -7.3371 -4.8962 -4.8962 -4.8782 -4.8782 -4.8314 -4.8314 -4.8268 -4.8268 -4.8223 -4.8223 -4.8125 -4.8125 -4.7964 -4.7964 -4.7457 -4.7457 -4.7322 -4.7322 2.0206 2.0206 2.3603 2.3603 2.4005 2.4005 6.7760 6.7760 9.4683 9.4683 10.2158 10.2158 10.3176 10.3176 10.5126 10.5126 11.4731 11.4731 11.7037 11.7037 13.3561 13.3561 13.5036 13.5036 k = 0.4783 0.4783-0.0000 ( 4304 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8441 -11.8441 -11.8393 -11.8393 -7.4023 -7.4023 -7.3890 -7.3890 -7.3807 -7.3807 -7.3612 -7.3612 -7.3561 -7.3561 -7.3372 -7.3372 -4.8963 -4.8963 -4.8782 -4.8782 -4.8338 -4.8338 -4.8282 -4.8282 -4.8198 -4.8198 -4.8117 -4.8117 -4.7955 -4.7955 -4.7456 -4.7456 -4.7324 -4.7324 1.9760 1.9760 2.3716 2.3716 2.4341 2.4341 6.7895 6.7895 9.4539 9.4539 10.1864 10.1864 10.3542 10.3542 10.5019 10.5019 11.4723 11.4723 11.7225 11.7225 13.3722 13.3722 13.4987 13.4987 k = 0.4674 0.4674-0.0000 ( 4308 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8441 -11.8441 -11.8392 -11.8392 -7.4024 -7.4024 -7.3888 -7.3888 -7.3808 -7.3808 -7.3616 -7.3616 -7.3556 -7.3556 -7.3373 -7.3373 -4.8965 -4.8965 -4.8783 -4.8783 -4.8367 -4.8367 -4.8298 -4.8298 -4.8174 -4.8174 -4.8104 -4.8104 -4.7941 -4.7941 -4.7456 -4.7456 -4.7326 -4.7326 1.9159 1.9159 2.3810 2.3810 2.4854 2.4854 6.8120 6.8120 9.4303 9.4303 10.1568 10.1568 10.3939 10.3939 10.4871 10.4871 11.4713 11.4713 11.7532 11.7532 13.3977 13.3977 13.4902 13.4902 k = 0.4565 0.4565-0.0000 ( 4304 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8441 -11.8441 -11.8392 -11.8392 -7.4025 -7.4025 -7.3886 -7.3886 -7.3810 -7.3810 -7.3620 -7.3620 -7.3551 -7.3551 -7.3375 -7.3375 -4.8968 -4.8968 -4.8784 -4.8784 -4.8398 -4.8398 -4.8315 -4.8315 -4.8155 -4.8155 -4.8085 -4.8085 -4.7921 -4.7921 -4.7455 -4.7455 -4.7329 -4.7329 1.8476 1.8476 2.3912 2.3912 2.5444 2.5444 6.8431 6.8431 9.3983 9.3983 10.1282 10.1282 10.4252 10.4252 10.4786 10.4786 11.4705 11.4705 11.7947 11.7947 13.4305 13.4305 13.4782 13.4782 k = 0.4457 0.4457-0.0000 ( 4294 PWs) bands (ev): -30.9379 -30.9379 -12.2172 -12.2172 -11.8440 -11.8440 -11.8391 -11.8391 -7.4026 -7.4026 -7.3884 -7.3884 -7.3813 -7.3813 -7.3625 -7.3625 -7.3545 -7.3545 -7.3378 -7.3378 -4.8972 -4.8972 -4.8785 -4.8785 -4.8430 -4.8430 -4.8334 -4.8334 -4.8143 -4.8143 -4.8061 -4.8061 -4.7898 -4.7898 -4.7455 -4.7455 -4.7332 -4.7332 1.7747 1.7747 2.4035 2.4035 2.6065 2.6065 6.8826 6.8826 9.3589 9.3589 10.0998 10.0998 10.4234 10.4234 10.5030 10.5030 11.4703 11.4703 11.8460 11.8460 13.4558 13.4558 13.4743 13.4743 k = 0.4348 0.4348-0.0000 ( 4298 PWs) bands (ev): -30.9379 -30.9379 -12.2172 -12.2172 -11.8439 -11.8439 -11.8391 -11.8391 -7.4028 -7.4028 -7.3881 -7.3881 -7.3816 -7.3816 -7.3629 -7.3629 -7.3539 -7.3539 -7.3381 -7.3381 -4.8977 -4.8977 -4.8786 -4.8786 -4.8461 -4.8461 -4.8352 -4.8352 -4.8136 -4.8136 -4.8033 -4.8033 -4.7872 -4.7872 -4.7455 -4.7455 -4.7333 -4.7333 1.6989 1.6989 2.4181 2.4181 2.6697 2.6697 6.9301 6.9301 9.3131 9.3131 10.0700 10.0700 10.4062 10.4062 10.5448 10.5448 11.4714 11.4714 11.9057 11.9057 13.4364 13.4364 13.5120 13.5120 k = 0.4239 0.4239-0.0000 ( 4300 PWs) bands (ev): -30.9379 -30.9379 -12.2171 -12.2171 -11.8438 -11.8438 -11.8390 -11.8390 -7.4030 -7.4030 -7.3877 -7.3877 -7.3820 -7.3820 -7.3632 -7.3632 -7.3533 -7.3533 -7.3384 -7.3384 -4.8982 -4.8982 -4.8787 -4.8787 -4.8493 -4.8493 -4.8371 -4.8371 -4.8133 -4.8133 -4.8002 -4.8002 -4.7844 -4.7844 -4.7456 -4.7456 -4.7332 -4.7332 1.6215 1.6215 2.4353 2.4353 2.7330 2.7330 6.9852 6.9852 9.2621 9.2621 10.0369 10.0369 10.3903 10.3903 10.5896 10.5896 11.4743 11.4743 11.9729 11.9729 13.4079 13.4079 13.5515 13.5515 k = 0.4130 0.4130-0.0000 ( 4296 PWs) bands (ev): -30.9380 -30.9380 -12.2170 -12.2170 -11.8437 -11.8437 -11.8390 -11.8390 -7.4033 -7.4033 -7.3872 -7.3872 -7.3825 -7.3825 -7.3635 -7.3635 -7.3527 -7.3527 -7.3389 -7.3389 -4.8989 -4.8989 -4.8789 -4.8789 -4.8524 -4.8524 -4.8389 -4.8389 -4.8134 -4.8134 -4.7969 -4.7969 -4.7816 -4.7816 -4.7458 -4.7458 -4.7327 -4.7327 1.5430 1.5430 2.4549 2.4549 2.7960 2.7960 7.0472 7.0472 9.2073 9.2073 9.9993 9.9993 10.3801 10.3801 10.6348 10.6348 11.4796 11.4796 12.0466 12.0466 13.3722 13.3722 13.5874 13.5874 k = 0.4022 0.4022-0.0000 ( 4300 PWs) bands (ev): -30.9380 -30.9380 -12.2169 -12.2169 -11.8436 -11.8436 -11.8389 -11.8389 -7.4036 -7.4036 -7.3867 -7.3867 -7.3830 -7.3830 -7.3638 -7.3638 -7.3522 -7.3522 -7.3393 -7.3393 -4.8995 -4.8995 -4.8791 -4.8791 -4.8554 -4.8554 -4.8407 -4.8407 -4.8138 -4.8138 -4.7935 -4.7935 -4.7789 -4.7789 -4.7460 -4.7460 -4.7319 -4.7319 1.4640 1.4640 2.4772 2.4772 2.8583 2.8583 7.1156 7.1156 9.1496 9.1496 9.9569 9.9569 10.3769 10.3769 10.6794 10.6794 11.4878 11.4878 12.1259 12.1259 13.3283 13.3283 13.6170 13.6170 k = 0.3913 0.3913-0.0000 ( 4300 PWs) bands (ev): -30.9380 -30.9380 -12.2168 -12.2168 -11.8435 -11.8435 -11.8388 -11.8388 -7.4040 -7.4040 -7.3862 -7.3862 -7.3837 -7.3837 -7.3640 -7.3640 -7.3516 -7.3516 -7.3398 -7.3398 -4.9003 -4.9003 -4.8794 -4.8794 -4.8584 -4.8584 -4.8423 -4.8423 -4.8144 -4.8144 -4.7901 -4.7901 -4.7765 -4.7765 -4.7461 -4.7461 -4.7307 -4.7307 1.3848 1.3848 2.5020 2.5020 2.9199 2.9199 7.1897 7.1897 9.0902 9.0902 9.9104 9.9104 10.3806 10.3806 10.7229 10.7229 11.4997 11.4997 12.2100 12.2100 13.2755 13.2755 13.6391 13.6391 k = 0.3804 0.3804-0.0000 ( 4282 PWs) bands (ev): -30.9380 -30.9380 -12.2167 -12.2167 -11.8433 -11.8433 -11.8387 -11.8387 -7.4045 -7.4045 -7.3856 -7.3856 -7.3844 -7.3844 -7.3641 -7.3641 -7.3511 -7.3511 -7.3403 -7.3403 -4.9010 -4.9010 -4.8797 -4.8797 -4.8614 -4.8614 -4.8438 -4.8438 -4.8152 -4.8152 -4.7868 -4.7868 -4.7746 -4.7746 -4.7458 -4.7458 -4.7292 -4.7292 1.3056 1.3056 2.5293 2.5293 2.9807 2.9807 7.2686 7.2686 9.0299 9.0299 9.8614 9.8614 10.3904 10.3904 10.7647 10.7647 11.5157 11.5157 12.2983 12.2983 13.2135 13.2135 13.6536 13.6536 k = 0.3696 0.3696-0.0000 ( 4282 PWs) bands (ev): -30.9380 -30.9380 -12.2166 -12.2166 -11.8431 -11.8431 -11.8386 -11.8386 -7.4049 -7.4049 -7.3854 -7.3854 -7.3847 -7.3847 -7.3641 -7.3641 -7.3506 -7.3506 -7.3409 -7.3409 -4.9018 -4.9018 -4.8802 -4.8802 -4.8642 -4.8642 -4.8453 -4.8453 -4.8163 -4.8163 -4.7837 -4.7837 -4.7731 -4.7731 -4.7449 -4.7449 -4.7272 -4.7272 1.2269 1.2269 2.5592 2.5592 3.0406 3.0406 7.3512 7.3512 8.9696 8.9696 9.8112 9.8112 10.4053 10.4053 10.8043 10.8043 11.5365 11.5365 12.3902 12.3902 13.1421 13.1421 13.6611 13.6611 k = 0.3587 0.3587-0.0000 ( 4284 PWs) bands (ev): -30.9380 -30.9380 -12.2165 -12.2165 -11.8430 -11.8430 -11.8384 -11.8384 -7.4055 -7.4055 -7.3862 -7.3862 -7.3841 -7.3841 -7.3641 -7.3641 -7.3502 -7.3502 -7.3415 -7.3415 -4.9027 -4.9027 -4.8808 -4.8808 -4.8670 -4.8670 -4.8465 -4.8465 -4.8175 -4.8175 -4.7812 -4.7812 -4.7717 -4.7717 -4.7433 -4.7433 -4.7250 -4.7250 1.1488 1.1488 2.5917 2.5917 3.0996 3.0996 7.4365 7.4365 8.9101 8.9101 9.7616 9.7616 10.4240 10.4240 10.8411 10.8411 11.5629 11.5629 12.4850 12.4850 13.0619 13.0619 13.6626 13.6626 k = 0.3478 0.3478-0.0000 ( 4280 PWs) bands (ev): -30.9380 -30.9380 -12.2163 -12.2163 -11.8427 -11.8427 -11.8383 -11.8383 -7.4060 -7.4060 -7.3872 -7.3872 -7.3834 -7.3834 -7.3641 -7.3641 -7.3498 -7.3498 -7.3421 -7.3421 -4.9036 -4.9036 -4.8815 -4.8815 -4.8697 -4.8697 -4.8476 -4.8476 -4.8189 -4.8189 -4.7800 -4.7800 -4.7700 -4.7700 -4.7410 -4.7410 -4.7225 -4.7225 1.0716 1.0716 2.6267 2.6267 3.1578 3.1578 7.5231 7.5231 8.8521 8.8521 9.7142 9.7142 10.4451 10.4451 10.8746 10.8746 11.5953 11.5953 12.5823 12.5823 12.9742 12.9742 13.6593 13.6593 k = 0.3370 0.3370-0.0000 ( 4290 PWs) bands (ev): -30.9380 -30.9380 -12.2162 -12.2162 -11.8426 -11.8426 -11.8382 -11.8382 -7.4066 -7.4066 -7.3882 -7.3882 -7.3827 -7.3827 -7.3639 -7.3639 -7.3494 -7.3494 -7.3428 -7.3428 -4.9045 -4.9045 -4.8825 -4.8825 -4.8724 -4.8724 -4.8485 -4.8485 -4.8205 -4.8205 -4.7803 -4.7803 -4.7674 -4.7674 -4.7382 -4.7382 -4.7197 -4.7197 0.9953 0.9953 2.6641 2.6641 3.2152 3.2152 7.6093 7.6093 8.7965 8.7965 9.6704 9.6704 10.4671 10.4671 10.9046 10.9046 11.6343 11.6343 12.6815 12.6815 12.8809 12.8809 13.6521 13.6521 k = 0.3261 0.3261-0.0000 ( 4286 PWs) bands (ev): -30.9380 -30.9380 -12.2160 -12.2160 -11.8423 -11.8423 -11.8380 -11.8380 -7.4073 -7.4073 -7.3894 -7.3894 -7.3820 -7.3820 -7.3637 -7.3637 -7.3491 -7.3491 -7.3435 -7.3435 -4.9054 -4.9054 -4.8835 -4.8835 -4.8749 -4.8749 -4.8492 -4.8492 -4.8222 -4.8222 -4.7817 -4.7817 -4.7642 -4.7642 -4.7349 -4.7349 -4.7166 -4.7166 0.9203 0.9203 2.7041 2.7041 3.2717 3.2717 7.6932 7.6932 8.7440 8.7440 9.6321 9.6321 10.4882 10.4882 10.9310 10.9310 11.6803 11.6803 12.7780 12.7780 12.7885 12.7885 13.6421 13.6421 k = 0.3152 0.3152-0.0000 ( 4282 PWs) bands (ev): -30.9380 -30.9380 -12.2158 -12.2158 -11.8421 -11.8421 -11.8378 -11.8378 -7.4079 -7.4079 -7.3905 -7.3905 -7.3813 -7.3813 -7.3635 -7.3635 -7.3489 -7.3489 -7.3442 -7.3442 -4.9064 -4.9064 -4.8848 -4.8848 -4.8774 -4.8774 -4.8497 -4.8497 -4.8240 -4.8240 -4.7838 -4.7838 -4.7607 -4.7607 -4.7313 -4.7313 -4.7134 -4.7134 0.8466 0.8466 2.7465 2.7465 3.3274 3.3274 7.7725 7.7725 8.6955 8.6955 9.6011 9.6011 10.5061 10.5061 10.9547 10.9547 11.7334 11.7334 12.6872 12.6872 12.8842 12.8842 13.6298 13.6298 k = 0.3043 0.3043-0.0000 ( 4282 PWs) bands (ev): -30.9381 -30.9381 -12.2157 -12.2157 -11.8418 -11.8418 -11.8377 -11.8377 -7.4086 -7.4086 -7.3918 -7.3918 -7.3807 -7.3807 -7.3632 -7.3632 -7.3486 -7.3486 -7.3449 -7.3449 -4.9074 -4.9074 -4.8863 -4.8863 -4.8797 -4.8797 -4.8500 -4.8500 -4.8259 -4.8259 -4.7863 -4.7863 -4.7571 -4.7571 -4.7275 -4.7275 -4.7100 -4.7100 0.7744 0.7744 2.7913 2.7913 3.3822 3.3822 7.8445 7.8445 8.6516 8.6516 9.5794 9.5794 10.5178 10.5178 10.9769 10.9769 11.7935 11.7935 12.5931 12.5931 12.9862 12.9862 13.6161 13.6161 k = 0.2935 0.2935-0.0000 ( 4278 PWs) bands (ev): -30.9381 -30.9381 -12.2155 -12.2155 -11.8415 -11.8415 -11.8375 -11.8375 -7.4093 -7.4093 -7.3930 -7.3930 -7.3801 -7.3801 -7.3628 -7.3628 -7.3485 -7.3485 -7.3455 -7.3455 -4.9084 -4.9084 -4.8879 -4.8879 -4.8821 -4.8821 -4.8502 -4.8502 -4.8278 -4.8278 -4.7891 -4.7891 -4.7535 -4.7535 -4.7234 -4.7234 -4.7064 -4.7064 0.7039 0.7039 2.8384 2.8384 3.4360 3.4360 7.9065 7.9065 8.6132 8.6132 9.5691 9.5691 10.5199 10.5199 11.0000 11.0000 11.8602 11.8602 12.5049 12.5049 13.0879 13.0879 13.6016 13.6016 k = 0.2826 0.2826-0.0000 ( 4280 PWs) bands (ev): -30.9381 -30.9381 -12.2153 -12.2153 -11.8412 -11.8412 -11.8373 -11.8373 -7.4100 -7.4100 -7.3944 -7.3944 -7.3797 -7.3797 -7.3624 -7.3624 -7.3483 -7.3483 -7.3462 -7.3462 -4.9095 -4.9095 -4.8896 -4.8896 -4.8844 -4.8844 -4.8503 -4.8503 -4.8297 -4.8297 -4.7920 -4.7920 -4.7500 -4.7500 -4.7192 -4.7192 -4.7027 -4.7027 0.6351 0.6351 2.8878 2.8878 3.4890 3.4890 7.9559 7.9559 8.5804 8.5804 9.5723 9.5723 10.5088 10.5088 11.0262 11.0262 11.9330 11.9330 12.4256 12.4256 13.1881 13.1881 13.5874 13.5874 k = 0.2717 0.2717-0.0000 ( 4280 PWs) bands (ev): -30.9381 -30.9381 -12.2150 -12.2150 -11.8409 -11.8409 -11.8371 -11.8371 -7.4107 -7.4107 -7.3957 -7.3957 -7.3793 -7.3793 -7.3620 -7.3620 -7.3483 -7.3483 -7.3468 -7.3468 -4.9107 -4.9107 -4.8914 -4.8914 -4.8867 -4.8867 -4.8502 -4.8502 -4.8316 -4.8316 -4.7951 -4.7951 -4.7465 -4.7465 -4.7150 -4.7150 -4.6989 -4.6989 0.5682 0.5682 2.9395 2.9395 3.5409 3.5409 7.9912 7.9912 8.5530 8.5530 9.5906 9.5906 10.4823 10.4823 11.0578 11.0578 12.0107 12.0107 12.3583 12.3583 13.2845 13.2845 13.5755 13.5755 k = 0.2609 0.2609-0.0000 ( 4270 PWs) bands (ev): -30.9381 -30.9381 -12.2148 -12.2148 -11.8405 -11.8405 -11.8369 -11.8369 -7.4114 -7.4114 -7.3971 -7.3971 -7.3790 -7.3790 -7.3615 -7.3615 -7.3483 -7.3483 -7.3474 -7.3474 -4.9118 -4.9118 -4.8932 -4.8932 -4.8889 -4.8889 -4.8500 -4.8500 -4.8334 -4.8334 -4.7982 -4.7982 -4.7430 -4.7430 -4.7106 -4.7106 -4.6951 -4.6951 0.5033 0.5033 2.9934 2.9934 3.5917 3.5917 8.0122 8.0122 8.5297 8.5297 9.6242 9.6242 10.4399 10.4399 11.0959 11.0959 12.0907 12.0907 12.3068 12.3068 13.3711 13.3711 13.5713 13.5713 k = 0.2500 0.2500-0.0000 ( 4278 PWs) bands (ev): -30.9381 -30.9381 -12.2146 -12.2146 -11.8402 -11.8402 -11.8367 -11.8367 -7.4121 -7.4121 -7.3985 -7.3985 -7.3788 -7.3788 -7.3609 -7.3609 -7.3485 -7.3485 -7.3478 -7.3478 -4.9131 -4.9131 -4.8951 -4.8951 -4.8912 -4.8912 -4.8498 -4.8498 -4.8352 -4.8352 -4.8013 -4.8013 -4.7397 -4.7397 -4.7061 -4.7061 -4.6912 -4.6912 0.4405 0.4405 3.0492 3.0492 3.6414 3.6414 8.0206 8.0206 8.5087 8.5087 9.6717 9.6717 10.3835 10.3835 11.1405 11.1405 12.1610 12.1610 12.2832 12.2832 13.4319 13.4319 13.5898 13.5898 k = 0.2391 0.2391-0.0000 ( 4274 PWs) bands (ev): -30.9381 -30.9381 -12.2144 -12.2144 -11.8399 -11.8399 -11.8365 -11.8365 -7.4127 -7.4127 -7.3999 -7.3999 -7.3787 -7.3787 -7.3604 -7.3604 -7.3489 -7.3489 -7.3479 -7.3479 -4.9144 -4.9144 -4.8971 -4.8971 -4.8935 -4.8935 -4.8494 -4.8494 -4.8369 -4.8369 -4.8044 -4.8044 -4.7365 -4.7365 -4.7016 -4.7016 -4.6873 -4.6873 0.3799 0.3799 3.1071 3.1071 3.6897 3.6897 8.0192 8.0192 8.4881 8.4881 9.7286 9.7286 10.3186 10.3186 11.1912 11.1912 12.1855 12.1855 12.3233 12.3233 13.4515 13.4515 13.6436 13.6436 k = 0.2283 0.2283-0.0000 ( 4278 PWs) bands (ev): -30.9382 -30.9382 -12.2141 -12.2141 -11.8395 -11.8395 -11.8363 -11.8363 -7.4134 -7.4134 -7.4014 -7.4014 -7.3787 -7.3787 -7.3598 -7.3598 -7.3494 -7.3494 -7.3480 -7.3480 -4.9157 -4.9157 -4.8990 -4.8990 -4.8957 -4.8957 -4.8491 -4.8491 -4.8384 -4.8384 -4.8075 -4.8075 -4.7334 -4.7334 -4.6971 -4.6971 -4.6834 -4.6834 0.3215 0.3215 3.1668 3.1668 3.7367 3.7367 8.0107 8.0107 8.4664 8.4664 9.7842 9.7842 10.2567 10.2567 11.2473 11.2473 12.1803 12.1803 12.4095 12.4095 13.4465 13.4465 13.7068 13.7068 k = 0.2174 0.2174-0.0000 ( 4286 PWs) bands (ev): -30.9382 -30.9382 -12.2139 -12.2139 -11.8391 -11.8391 -11.8362 -11.8362 -7.4141 -7.4141 -7.4028 -7.4028 -7.3788 -7.3788 -7.3592 -7.3592 -7.3499 -7.3499 -7.3481 -7.3481 -4.9170 -4.9170 -4.9010 -4.9010 -4.8980 -4.8980 -4.8487 -4.8487 -4.8398 -4.8398 -4.8105 -4.8105 -4.7304 -4.7304 -4.6925 -4.6925 -4.6796 -4.6796 0.2655 0.2655 3.2282 3.2282 3.7822 3.7822 7.9979 7.9979 8.4431 8.4431 9.8153 9.8153 10.2215 10.2215 11.3078 11.3078 12.1771 12.1771 12.5086 12.5086 13.4328 13.4328 13.7313 13.7313 k = 0.2065 0.2065-0.0000 ( 4296 PWs) bands (ev): -30.9382 -30.9382 -12.2137 -12.2137 -11.8388 -11.8388 -11.8360 -11.8360 -7.4148 -7.4148 -7.4043 -7.4043 -7.3790 -7.3790 -7.3586 -7.3586 -7.3504 -7.3504 -7.3482 -7.3482 -4.9184 -4.9184 -4.9029 -4.9029 -4.9002 -4.9002 -4.8484 -4.8484 -4.8411 -4.8411 -4.8134 -4.8134 -4.7276 -4.7276 -4.6880 -4.6880 -4.6758 -4.6758 0.2118 0.2118 3.2911 3.2911 3.8260 3.8260 7.9827 7.9827 8.4180 8.4180 9.7931 9.7931 10.2423 10.2423 11.3722 11.3722 12.1814 12.1814 12.6129 12.6129 13.4157 13.4157 13.7108 13.7108 k = 0.1957 0.1957-0.0000 ( 4292 PWs) bands (ev): -30.9382 -30.9382 -12.2134 -12.2134 -11.8384 -11.8384 -11.8358 -11.8358 -7.4154 -7.4154 -7.4057 -7.4057 -7.3793 -7.3793 -7.3580 -7.3580 -7.3508 -7.3508 -7.3483 -7.3483 -4.9198 -4.9198 -4.9049 -4.9049 -4.9024 -4.9024 -4.8481 -4.8481 -4.8422 -4.8422 -4.8162 -4.8162 -4.7249 -4.7249 -4.6835 -4.6835 -4.6721 -4.6721 0.1606 0.1606 3.3553 3.3553 3.8682 3.8682 7.9667 7.9667 8.3913 8.3913 9.7205 9.7205 10.3169 10.3169 11.4398 11.4398 12.1939 12.1939 12.7199 12.7199 13.3970 13.3970 13.6796 13.6796 k = 0.1848 0.1848-0.0000 ( 4280 PWs) bands (ev): -30.9382 -30.9382 -12.2132 -12.2132 -11.8379 -11.8379 -11.8356 -11.8356 -7.4160 -7.4160 -7.4071 -7.4071 -7.3797 -7.3797 -7.3575 -7.3575 -7.3512 -7.3512 -7.3484 -7.3484 -4.9212 -4.9212 -4.9068 -4.9068 -4.9045 -4.9045 -4.8478 -4.8478 -4.8431 -4.8431 -4.8189 -4.8189 -4.7223 -4.7223 -4.6791 -4.6791 -4.6685 -4.6685 0.1119 0.1119 3.4206 3.4206 3.9085 3.9085 7.9507 7.9507 8.3634 8.3634 9.6208 9.6208 10.4224 10.4224 11.5101 11.5101 12.2138 12.2138 12.8277 12.8277 13.3776 13.3776 13.6473 13.6473 k = 0.1739 0.1739-0.0000 ( 4282 PWs) bands (ev): -30.9382 -30.9382 -12.2129 -12.2129 -11.8376 -11.8376 -11.8354 -11.8354 -7.4166 -7.4166 -7.4085 -7.4085 -7.3801 -7.3801 -7.3569 -7.3569 -7.3515 -7.3515 -7.3485 -7.3485 -4.9227 -4.9227 -4.9087 -4.9087 -4.9067 -4.9067 -4.8476 -4.8476 -4.8437 -4.8437 -4.8215 -4.8215 -4.7199 -4.7199 -4.6747 -4.6747 -4.6650 -4.6650 0.0658 0.0658 3.4867 3.4867 3.9468 3.9468 7.9354 7.9354 8.3346 8.3346 9.5093 9.5093 10.5444 10.5444 11.5826 11.5826 12.2407 12.2407 12.9340 12.9340 13.3582 13.3582 13.6162 13.6162 k = 0.1630 0.1630-0.0000 ( 4286 PWs) bands (ev): -30.9382 -30.9382 -12.2127 -12.2127 -11.8372 -11.8372 -11.8352 -11.8352 -7.4172 -7.4172 -7.4099 -7.4099 -7.3805 -7.3805 -7.3564 -7.3564 -7.3518 -7.3518 -7.3486 -7.3486 -4.9241 -4.9241 -4.9106 -4.9106 -4.9087 -4.9087 -4.8476 -4.8476 -4.8441 -4.8441 -4.8240 -4.8240 -4.7176 -4.7176 -4.6705 -4.6705 -4.6616 -4.6616 0.0223 0.0223 3.5534 3.5534 3.9831 3.9831 7.9212 7.9212 8.3052 8.3052 9.3933 9.3933 10.6762 10.6762 11.6570 11.6570 12.2740 12.2740 13.0348 13.0348 13.3406 13.3406 13.5871 13.5871 k = 0.1522 0.1522-0.0000 ( 4296 PWs) bands (ev): -30.9383 -30.9383 -12.2125 -12.2125 -11.8368 -11.8368 -11.8351 -11.8351 -7.4177 -7.4177 -7.4112 -7.4112 -7.3810 -7.3810 -7.3560 -7.3560 -7.3521 -7.3521 -7.3487 -7.3487 -4.9255 -4.9255 -4.9124 -4.9124 -4.9107 -4.9107 -4.8478 -4.8478 -4.8442 -4.8442 -4.8263 -4.8263 -4.7154 -4.7154 -4.6664 -4.6664 -4.6584 -4.6584 -0.0186 -0.0186 3.6203 3.6203 4.0173 4.0173 7.9083 7.9083 8.2751 8.2751 9.2772 9.2772 10.8143 10.8143 11.7328 11.7328 12.3132 12.3132 13.1198 13.1198 13.3318 13.3318 13.5602 13.5602 k = 0.1413 0.1413-0.0000 ( 4286 PWs) bands (ev): -30.9383 -30.9383 -12.2122 -12.2122 -11.8364 -11.8364 -11.8349 -11.8349 -7.4182 -7.4182 -7.4125 -7.4125 -7.3815 -7.3815 -7.3556 -7.3556 -7.3524 -7.3524 -7.3487 -7.3487 -4.9269 -4.9269 -4.9142 -4.9142 -4.9126 -4.9126 -4.8480 -4.8480 -4.8441 -4.8441 -4.8284 -4.8284 -4.7134 -4.7134 -4.6625 -4.6625 -4.6554 -4.6554 -0.0568 -0.0568 3.6869 3.6869 4.0492 4.0492 7.8967 7.8967 8.2442 8.2442 9.1637 9.1637 10.9568 10.9568 11.8096 11.8096 12.3580 12.3580 13.1643 13.1643 13.3512 13.3512 13.5344 13.5344 k = 0.1304 0.1304-0.0000 ( 4293 PWs) bands (ev): -30.9383 -30.9383 -12.2120 -12.2120 -11.8361 -11.8361 -11.8347 -11.8347 -7.4187 -7.4187 -7.4137 -7.4137 -7.3820 -7.3820 -7.3552 -7.3552 -7.3526 -7.3526 -7.3488 -7.3488 -4.9283 -4.9283 -4.9158 -4.9158 -4.9144 -4.9144 -4.8483 -4.8483 -4.8440 -4.8440 -4.8304 -4.8304 -4.7116 -4.7116 -4.6587 -4.6587 -4.6525 -4.6525 -0.0923 -0.0923 3.7529 3.7529 4.0789 4.0789 7.8865 7.8865 8.2124 8.2124 9.0553 9.0553 11.1025 11.1025 11.8870 11.8870 12.4081 12.4081 13.1560 13.1560 13.4010 13.4010 13.4987 13.4987 k = 0.1196 0.1196-0.0000 ( 4289 PWs) bands (ev): -30.9383 -30.9383 -12.2118 -12.2118 -11.8357 -11.8357 -11.8346 -11.8346 -7.4192 -7.4192 -7.4149 -7.4149 -7.3825 -7.3825 -7.3549 -7.3549 -7.3528 -7.3528 -7.3488 -7.3488 -4.9297 -4.9297 -4.9174 -4.9174 -4.9161 -4.9161 -4.8486 -4.8486 -4.8437 -4.8437 -4.8323 -4.8323 -4.7098 -4.7098 -4.6551 -4.6551 -4.6498 -4.6498 -0.1250 -0.1250 3.8176 3.8176 4.1062 4.1062 7.8774 7.8774 8.1792 8.1792 8.9540 8.9540 11.2503 11.2503 11.9646 11.9646 12.4635 12.4635 13.1177 13.1177 13.4361 13.4361 13.4537 13.4537 k = 0.1087 0.1087-0.0000 ( 4293 PWs) bands (ev): -30.9383 -30.9383 -12.2116 -12.2116 -11.8354 -11.8354 -11.8344 -11.8344 -7.4196 -7.4196 -7.4160 -7.4160 -7.3830 -7.3830 -7.3547 -7.3547 -7.3530 -7.3530 -7.3488 -7.3488 -4.9309 -4.9309 -4.9188 -4.9188 -4.9177 -4.9177 -4.8488 -4.8488 -4.8435 -4.8435 -4.8340 -4.8340 -4.7083 -4.7083 -4.6518 -4.6518 -4.6473 -4.6473 -0.1550 -0.1550 3.8806 3.8806 4.1312 4.1312 7.8695 7.8695 8.1440 8.1440 8.8616 8.8616 11.3994 11.3994 12.0420 12.0420 12.5239 12.5239 13.0656 13.0656 13.4155 13.4155 13.4382 13.4382 k = 0.0978 0.0978-0.0000 ( 4297 PWs) bands (ev): -30.9383 -30.9383 -12.2115 -12.2115 -11.8351 -11.8351 -11.8343 -11.8343 -7.4200 -7.4200 -7.4170 -7.4170 -7.3835 -7.3835 -7.3545 -7.3545 -7.3532 -7.3532 -7.3487 -7.3487 -4.9322 -4.9322 -4.9201 -4.9201 -4.9191 -4.9191 -4.8490 -4.8490 -4.8432 -4.8432 -4.8355 -4.8355 -4.7068 -4.7068 -4.6487 -4.6487 -4.6450 -4.6450 -0.1821 -0.1821 3.9412 3.9412 4.1538 4.1538 7.8626 7.8626 8.1067 8.1067 8.7798 8.7798 11.5492 11.5492 12.1186 12.1186 12.5894 12.5894 13.0075 13.0075 13.3856 13.3856 13.4278 13.4278 k = 0.0870 0.0870-0.0000 ( 4297 PWs) bands (ev): -30.9383 -30.9383 -12.2113 -12.2113 -11.8348 -11.8348 -11.8342 -11.8342 -7.4203 -7.4203 -7.4180 -7.4180 -7.3839 -7.3839 -7.3543 -7.3543 -7.3533 -7.3533 -7.3487 -7.3487 -4.9333 -4.9333 -4.9213 -4.9213 -4.9205 -4.9205 -4.8491 -4.8491 -4.8430 -4.8430 -4.8369 -4.8369 -4.7056 -4.7056 -4.6459 -4.6459 -4.6429 -4.6429 -0.2065 -0.2065 3.9986 3.9986 4.1739 4.1739 7.8566 7.8566 8.0671 8.0671 8.7095 8.7095 11.6990 11.6990 12.1941 12.1941 12.6596 12.6596 12.9481 12.9481 13.3624 13.3624 13.4152 13.4152 k = 0.0761 0.0761-0.0000 ( 4293 PWs) bands (ev): -30.9383 -30.9383 -12.2111 -12.2111 -11.8345 -11.8345 -11.8341 -11.8341 -7.4207 -7.4207 -7.4188 -7.4188 -7.3843 -7.3843 -7.3542 -7.3542 -7.3534 -7.3534 -7.3486 -7.3486 -4.9343 -4.9343 -4.9224 -4.9224 -4.9217 -4.9217 -4.8492 -4.8492 -4.8428 -4.8428 -4.8381 -4.8381 -4.7044 -4.7044 -4.6434 -4.6434 -4.6411 -4.6411 -0.2281 -0.2281 4.0520 4.0520 4.1917 4.1917 7.8513 7.8513 8.0258 8.0258 8.6512 8.6512 11.8479 11.8479 12.2678 12.2678 12.7345 12.7345 12.8908 12.8908 13.3441 13.3441 13.4029 13.4029 k = 0.0652 0.0652-0.0000 ( 4301 PWs) bands (ev): -30.9383 -30.9383 -12.2110 -12.2110 -11.8343 -11.8343 -11.8340 -11.8340 -7.4209 -7.4209 -7.4196 -7.4196 -7.3847 -7.3847 -7.3541 -7.3541 -7.3536 -7.3536 -7.3485 -7.3485 -4.9353 -4.9353 -4.9233 -4.9233 -4.9228 -4.9228 -4.8493 -4.8493 -4.8426 -4.8426 -4.8391 -4.8391 -4.7035 -4.7035 -4.6412 -4.6412 -4.6395 -4.6395 -0.2467 -0.2467 4.1008 4.1008 4.2071 4.2071 7.8467 7.8467 7.9842 7.9842 8.6045 8.6045 11.9949 11.9949 12.3391 12.3391 12.8128 12.8128 12.8385 12.8385 13.3292 13.3292 13.3916 13.3916 k = 0.0543 0.0543-0.0000 ( 4307 PWs) bands (ev): -30.9384 -30.9384 -12.2109 -12.2109 -11.8341 -11.8341 -11.8339 -11.8339 -7.4212 -7.4212 -7.4202 -7.4202 -7.3850 -7.3850 -7.3541 -7.3541 -7.3537 -7.3537 -7.3485 -7.3485 -4.9361 -4.9361 -4.9241 -4.9241 -4.9237 -4.9237 -4.8494 -4.8494 -4.8424 -4.8424 -4.8400 -4.8400 -4.7026 -4.7026 -4.6393 -4.6393 -4.6381 -4.6381 -0.2626 -0.2626 4.1439 4.1439 4.2200 4.2200 7.8429 7.8429 7.9441 7.9441 8.5683 8.5683 12.1385 12.1385 12.4071 12.4071 12.7900 12.7900 12.8966 12.8966 13.3170 13.3170 13.3815 13.3815 k = 0.0435 0.0435-0.0000 ( 4319 PWs) bands (ev): -30.9384 -30.9384 -12.2109 -12.2109 -11.8340 -11.8340 -11.8339 -11.8339 -7.4214 -7.4214 -7.4207 -7.4207 -7.3853 -7.3853 -7.3540 -7.3540 -7.3538 -7.3538 -7.3484 -7.3484 -4.9368 -4.9368 -4.9247 -4.9247 -4.9244 -4.9244 -4.8494 -4.8494 -4.8423 -4.8423 -4.8407 -4.8407 -4.7019 -4.7019 -4.6377 -4.6377 -4.6369 -4.6369 -0.2756 -0.2756 4.1806 4.1806 4.2306 4.2306 7.8397 7.8397 7.9076 7.9076 8.5412 8.5412 12.2767 12.2767 12.4705 12.4705 12.7495 12.7495 12.9811 12.9811 13.3062 13.3062 13.3706 13.3706 k = 0.0326 0.0326-0.0000 ( 4333 PWs) bands (ev): -30.9384 -30.9384 -12.2108 -12.2108 -11.8339 -11.8339 -11.8338 -11.8338 -7.4215 -7.4215 -7.4212 -7.4212 -7.3855 -7.3855 -7.3540 -7.3540 -7.3538 -7.3538 -7.3483 -7.3483 -4.9373 -4.9373 -4.9252 -4.9252 -4.9250 -4.9250 -4.8495 -4.8495 -4.8422 -4.8422 -4.8413 -4.8413 -4.7014 -4.7014 -4.6365 -4.6365 -4.6360 -4.6360 -0.2857 -0.2857 4.2101 4.2101 4.2388 4.2388 7.8372 7.8372 7.8768 7.8768 8.5218 8.5218 12.4056 12.4056 12.5277 12.5277 12.7160 12.7160 13.0643 13.0643 13.2916 13.2916 13.3348 13.3348 k = 0.0217 0.0217-0.0000 ( 4351 PWs) bands (ev): -30.9384 -30.9384 -12.2108 -12.2108 -11.8339 -11.8339 -11.8338 -11.8338 -7.4216 -7.4216 -7.4215 -7.4215 -7.3857 -7.3857 -7.3540 -7.3540 -7.3539 -7.3539 -7.3483 -7.3483 -4.9377 -4.9377 -4.9255 -4.9255 -4.9255 -4.9255 -4.8495 -4.8495 -4.8421 -4.8421 -4.8417 -4.8417 -4.7010 -4.7010 -4.6356 -4.6356 -4.6354 -4.6354 -0.2929 -0.2929 4.2317 4.2317 4.2447 4.2447 7.8354 7.8354 7.8534 7.8534 8.5089 8.5089 12.5184 12.5184 12.5761 12.5761 12.6892 12.6892 13.1366 13.1366 13.2537 13.2537 13.3175 13.3175 k = 0.0109 0.0109-0.0000 ( 4339 PWs) bands (ev): -30.9384 -30.9384 -12.2107 -12.2107 -11.8338 -11.8338 -11.8338 -11.8338 -7.4217 -7.4217 -7.4216 -7.4216 -7.3857 -7.3857 -7.3539 -7.3539 -7.3539 -7.3539 -7.3483 -7.3483 -4.9379 -4.9379 -4.9257 -4.9257 -4.9257 -4.9257 -4.8495 -4.8495 -4.8420 -4.8420 -4.8420 -4.8420 -4.7008 -4.7008 -4.6351 -4.6351 -4.6350 -4.6350 -0.2972 -0.2972 4.2449 4.2449 4.2482 4.2482 7.8343 7.8343 7.8389 7.8389 8.5015 8.5015 12.6015 12.6015 12.6135 12.6135 12.6676 12.6676 13.1796 13.1796 13.2096 13.2096 13.3328 13.3328 k = 0.0000 0.0000 0.0000 ( 4337 PWs) bands (ev): -30.9384 -30.9384 -12.2107 -12.2107 -11.8338 -11.8338 -11.8338 -11.8338 -7.4217 -7.4217 -7.4217 -7.4217 -7.3858 -7.3858 -7.3539 -7.3539 -7.3539 -7.3539 -7.3483 -7.3483 -4.9380 -4.9380 -4.9258 -4.9258 -4.9258 -4.9258 -4.8495 -4.8495 -4.8420 -4.8420 -4.8420 -4.8420 -4.7007 -4.7007 -4.6349 -4.6349 -4.6349 -4.6349 -0.2986 -0.2986 4.2493 4.2493 4.2493 4.2493 7.8339 7.8339 7.8339 7.8339 8.4991 8.4991 12.6336 12.6336 12.6336 12.6336 12.6533 12.6533 13.1901 13.1901 13.1901 13.1901 13.3464 13.3464 k = 0.0000 0.0000 0.0000 ( 4337 PWs) bands (ev): -30.9384 -30.9384 -12.2107 -12.2107 -11.8338 -11.8338 -11.8338 -11.8338 -7.4217 -7.4217 -7.4217 -7.4217 -7.3858 -7.3858 -7.3539 -7.3539 -7.3539 -7.3539 -7.3483 -7.3483 -4.9380 -4.9380 -4.9258 -4.9258 -4.9258 -4.9258 -4.8495 -4.8495 -4.8420 -4.8420 -4.8420 -4.8420 -4.7007 -4.7007 -4.6349 -4.6349 -4.6349 -4.6349 -0.2986 -0.2986 4.2493 4.2493 4.2493 4.2493 7.8339 7.8339 7.8339 7.8339 8.4991 8.4991 12.6336 12.6336 12.6336 12.6336 12.6533 12.6533 13.1901 13.1901 13.1901 13.1901 13.3464 13.3464 k = 0.0089 0.0089 0.0089 ( 4337 PWs) bands (ev): -30.9384 -30.9384 -12.2107 -12.2107 -11.8338 -11.8338 -11.8338 -11.8338 -7.4217 -7.4217 -7.4216 -7.4216 -7.3857 -7.3857 -7.3539 -7.3539 -7.3539 -7.3539 -7.3483 -7.3483 -4.9379 -4.9379 -4.9257 -4.9257 -4.9257 -4.9257 -4.8495 -4.8495 -4.8421 -4.8421 -4.8419 -4.8419 -4.7008 -4.7008 -4.6351 -4.6351 -4.6350 -4.6350 -0.2972 -0.2972 4.2464 4.2464 4.2466 4.2466 7.8341 7.8341 7.8391 7.8391 8.5015 8.5015 12.6005 12.6005 12.6137 12.6137 12.6678 12.6678 13.1791 13.1791 13.2108 13.2108 13.3319 13.3319 k = 0.0179 0.0179 0.0179 ( 4352 PWs) bands (ev): -30.9384 -30.9384 -12.2108 -12.2108 -11.8339 -11.8339 -11.8338 -11.8338 -7.4216 -7.4216 -7.4215 -7.4215 -7.3857 -7.3857 -7.3540 -7.3540 -7.3539 -7.3539 -7.3483 -7.3483 -4.9377 -4.9377 -4.9255 -4.9255 -4.9255 -4.9255 -4.8495 -4.8495 -4.8421 -4.8421 -4.8417 -4.8417 -4.7010 -4.7010 -4.6356 -4.6356 -4.6354 -4.6354 -0.2928 -0.2928 4.2378 4.2378 4.2383 4.2383 7.8344 7.8344 7.8546 7.8546 8.5091 8.5091 12.5168 12.5168 12.5751 12.5751 12.6890 12.6890 13.1474 13.1474 13.2490 13.2490 13.3066 13.3066 k = 0.0268 0.0268 0.0268 ( 4337 PWs) bands (ev): -30.9384 -30.9384 -12.2108 -12.2108 -11.8339 -11.8339 -11.8339 -11.8339 -7.4215 -7.4215 -7.4212 -7.4212 -7.3855 -7.3855 -7.3540 -7.3540 -7.3538 -7.3538 -7.3484 -7.3484 -4.9373 -4.9373 -4.9251 -4.9251 -4.9251 -4.9251 -4.8495 -4.8495 -4.8422 -4.8422 -4.8412 -4.8412 -4.7014 -4.7014 -4.6364 -4.6364 -4.6361 -4.6361 -0.2855 -0.2855 4.2235 4.2235 4.2248 4.2248 7.8341 7.8341 7.8802 7.8802 8.5224 8.5224 12.4065 12.4065 12.5179 12.5179 12.7130 12.7130 13.1087 13.1087 13.2755 13.2755 13.2935 13.2935 k = 0.0357 0.0357 0.0357 ( 4319 PWs) bands (ev): -30.9384 -30.9384 -12.2109 -12.2109 -11.8340 -11.8340 -11.8339 -11.8339 -7.4213 -7.4213 -7.4207 -7.4207 -7.3853 -7.3853 -7.3540 -7.3540 -7.3538 -7.3538 -7.3484 -7.3484 -4.9367 -4.9367 -4.9246 -4.9246 -4.9245 -4.9245 -4.8494 -4.8494 -4.8424 -4.8424 -4.8406 -4.8406 -4.7020 -4.7020 -4.6376 -4.6376 -4.6371 -4.6371 -0.2753 -0.2753 4.2040 4.2040 4.2061 4.2061 7.8321 7.8321 7.9155 7.9155 8.5426 8.5426 12.2835 12.2835 12.4396 12.4396 12.7405 12.7405 13.0803 13.0803 13.2898 13.2898 13.2906 13.2906 k = 0.0446 0.0446 0.0446 ( 4307 PWs) bands (ev): -30.9384 -30.9384 -12.2109 -12.2109 -11.8341 -11.8341 -11.8340 -11.8340 -7.4211 -7.4211 -7.4202 -7.4202 -7.3850 -7.3850 -7.3541 -7.3541 -7.3537 -7.3537 -7.3485 -7.3485 -4.9360 -4.9360 -4.9240 -4.9240 -4.9238 -4.9238 -4.8494 -4.8494 -4.8426 -4.8426 -4.8398 -4.8398 -4.7026 -4.7026 -4.6392 -4.6392 -4.6383 -4.6383 -0.2621 -0.2621 4.1795 4.1795 4.1827 4.1827 7.8274 7.8274 7.9601 7.9601 8.5707 8.5707 12.1546 12.1546 12.3422 12.3422 12.7708 12.7708 13.0689 13.0689 13.2909 13.2909 13.3012 13.3012 k = 0.0536 0.0536 0.0536 ( 4301 PWs) bands (ev): -30.9383 -30.9383 -12.2110 -12.2110 -11.8343 -11.8343 -11.8341 -11.8341 -7.4209 -7.4209 -7.4196 -7.4196 -7.3847 -7.3847 -7.3541 -7.3541 -7.3536 -7.3536 -7.3485 -7.3485 -4.9352 -4.9352 -4.9232 -4.9232 -4.9229 -4.9229 -4.8493 -4.8493 -4.8428 -4.8428 -4.8388 -4.8388 -4.7035 -4.7035 -4.6410 -4.6410 -4.6398 -4.6398 -0.2461 -0.2461 4.1505 4.1505 4.1549 4.1549 7.8188 7.8188 8.0134 8.0134 8.6076 8.6076 12.0231 12.0231 12.2300 12.2300 12.8024 12.8024 13.0740 13.0740 13.2949 13.2949 13.3104 13.3104 k = 0.0625 0.0625 0.0625 ( 4295 PWs) bands (ev): -30.9383 -30.9383 -12.2112 -12.2112 -11.8344 -11.8344 -11.8342 -11.8342 -7.4206 -7.4206 -7.4188 -7.4188 -7.3843 -7.3843 -7.3542 -7.3542 -7.3535 -7.3535 -7.3486 -7.3486 -4.9342 -4.9342 -4.9223 -4.9223 -4.9219 -4.9219 -4.8492 -4.8492 -4.8431 -4.8431 -4.8377 -4.8377 -4.7045 -4.7045 -4.6432 -4.6432 -4.6415 -4.6415 -0.2272 -0.2272 4.1175 4.1175 4.1231 4.1231 7.8057 7.8057 8.0746 8.0746 8.6542 8.6542 11.8909 11.8909 12.1078 12.1078 12.8339 12.8339 13.0922 13.0922 13.3008 13.3008 13.3195 13.3195 k = 0.0714 0.0714 0.0714 ( 4289 PWs) bands (ev): -30.9383 -30.9383 -12.2113 -12.2113 -11.8347 -11.8347 -11.8343 -11.8343 -7.4203 -7.4203 -7.4180 -7.4180 -7.3839 -7.3839 -7.3543 -7.3543 -7.3534 -7.3534 -7.3486 -7.3486 -4.9330 -4.9330 -4.9213 -4.9213 -4.9207 -4.9207 -4.8491 -4.8491 -4.8434 -4.8434 -4.8364 -4.8364 -4.7056 -4.7056 -4.6456 -4.6456 -4.6435 -4.6435 -0.2054 -0.2054 4.0810 4.0810 4.0878 4.0878 7.7878 7.7878 8.1431 8.1431 8.7105 8.7105 11.7595 11.7595 11.9792 11.9792 12.8634 12.8634 13.1195 13.1195 13.3082 13.3082 13.3291 13.3291 k = 0.0804 0.0804 0.0804 ( 4298 PWs) bands (ev): -30.9383 -30.9383 -12.2115 -12.2115 -11.8349 -11.8349 -11.8345 -11.8345 -7.4199 -7.4199 -7.4170 -7.4170 -7.3835 -7.3835 -7.3544 -7.3544 -7.3533 -7.3533 -7.3486 -7.3486 -4.9317 -4.9317 -4.9202 -4.9202 -4.9194 -4.9194 -4.8489 -4.8489 -4.8438 -4.8438 -4.8349 -4.8349 -4.7070 -4.7070 -4.6483 -4.6483 -4.6457 -4.6457 -0.1807 -0.1807 4.0415 4.0415 4.0495 4.0495 7.7651 7.7651 8.2180 8.2180 8.7764 8.7764 11.6297 11.6297 11.8467 11.8467 12.8892 12.8892 13.1518 13.1518 13.3168 13.3168 13.3394 13.3394 k = 0.0893 0.0893 0.0893 ( 4289 PWs) bands (ev): -30.9383 -30.9383 -12.2116 -12.2116 -11.8352 -11.8352 -11.8346 -11.8346 -7.4196 -7.4196 -7.4160 -7.4160 -7.3830 -7.3830 -7.3545 -7.3545 -7.3533 -7.3533 -7.3486 -7.3486 -4.9304 -4.9304 -4.9191 -4.9191 -4.9179 -4.9179 -4.8486 -4.8486 -4.8442 -4.8442 -4.8332 -4.8332 -4.7084 -4.7084 -4.6512 -4.6512 -4.6481 -4.6481 -0.1531 -0.1531 3.9994 3.9994 4.0085 4.0085 7.7382 7.7382 8.2984 8.2984 8.8514 8.8514 11.5024 11.5024 11.7120 11.7120 12.9085 12.9085 13.1854 13.1854 13.3260 13.3260 13.3506 13.3506 k = 0.0982 0.0982 0.0982 ( 4307 PWs) bands (ev): -30.9383 -30.9383 -12.2119 -12.2119 -11.8356 -11.8356 -11.8348 -11.8348 -7.4192 -7.4192 -7.4149 -7.4149 -7.3826 -7.3826 -7.3546 -7.3546 -7.3533 -7.3533 -7.3485 -7.3485 -4.9289 -4.9289 -4.9179 -4.9179 -4.9163 -4.9163 -4.8483 -4.8483 -4.8446 -4.8446 -4.8314 -4.8314 -4.7101 -4.7101 -4.6543 -4.6543 -4.6508 -4.6508 -0.1228 -0.1228 3.9553 3.9553 3.9654 3.9654 7.7074 7.7074 8.3831 8.3831 8.9348 8.9348 11.3785 11.3785 11.5762 11.5762 12.9165 12.9165 13.2184 13.2184 13.3352 13.3352 13.3626 13.3626 k = 0.1071 0.1071 0.1071 ( 4304 PWs) bands (ev): -30.9383 -30.9383 -12.2121 -12.2121 -11.8359 -11.8359 -11.8350 -11.8350 -7.4187 -7.4187 -7.4137 -7.4137 -7.3821 -7.3821 -7.3547 -7.3547 -7.3534 -7.3534 -7.3483 -7.3483 -4.9272 -4.9272 -4.9167 -4.9167 -4.9146 -4.9146 -4.8479 -4.8479 -4.8450 -4.8450 -4.8294 -4.8294 -4.7119 -4.7119 -4.6577 -4.6577 -4.6537 -4.6537 -0.0896 -0.0896 3.9095 3.9095 3.9205 3.9205 7.6735 7.6735 8.4711 8.4711 9.0257 9.0257 11.2590 11.2590 11.4404 11.4404 12.9038 12.9038 13.2505 13.2505 13.3404 13.3404 13.3757 13.3757 k = 0.1161 0.1161 0.1161 ( 4280 PWs) bands (ev): -30.9383 -30.9383 -12.2122 -12.2122 -11.8361 -11.8361 -11.8351 -11.8351 -7.4183 -7.4183 -7.4124 -7.4124 -7.3816 -7.3816 -7.3549 -7.3549 -7.3535 -7.3535 -7.3480 -7.3480 -4.9255 -4.9255 -4.9154 -4.9154 -4.9128 -4.9128 -4.8474 -4.8474 -4.8454 -4.8454 -4.8273 -4.8273 -4.7139 -4.7139 -4.6611 -4.6611 -4.6567 -4.6567 -0.0536 -0.0536 3.8626 3.8626 3.8743 3.8743 7.6372 7.6372 8.5610 8.5610 9.1232 9.1232 11.1449 11.1449 11.3052 11.3052 12.8581 12.8581 13.2820 13.2820 13.3280 13.3280 13.3898 13.3898 k = 0.1250 0.1250 0.1250 ( 4280 PWs) bands (ev): -30.9382 -30.9382 -12.2125 -12.2125 -11.8365 -11.8365 -11.8354 -11.8354 -7.4178 -7.4178 -7.4111 -7.4111 -7.3812 -7.3812 -7.3551 -7.3551 -7.3537 -7.3537 -7.3477 -7.3477 -4.9238 -4.9238 -4.9143 -4.9143 -4.9108 -4.9108 -4.8469 -4.8469 -4.8458 -4.8458 -4.8250 -4.8250 -4.7161 -4.7161 -4.6647 -4.6647 -4.6600 -4.6600 -0.0148 -0.0148 3.8148 3.8148 3.8271 3.8271 7.5991 7.5991 8.6510 8.6510 9.2263 9.2263 11.0378 11.0378 11.1715 11.1715 12.7725 12.7725 13.2991 13.2991 13.3229 13.3229 13.3949 13.3949 k = 0.1339 0.1339 0.1339 ( 4277 PWs) bands (ev): -30.9382 -30.9382 -12.2127 -12.2127 -11.8368 -11.8368 -11.8356 -11.8356 -7.4173 -7.4173 -7.4098 -7.4098 -7.3807 -7.3807 -7.3553 -7.3553 -7.3539 -7.3539 -7.3473 -7.3473 -4.9219 -4.9219 -4.9131 -4.9131 -4.9088 -4.9088 -4.8464 -4.8464 -4.8460 -4.8460 -4.8225 -4.8225 -4.7186 -4.7186 -4.6683 -4.6683 -4.6634 -4.6634 0.0267 0.0267 3.7665 3.7665 3.7793 3.7793 7.5596 7.5596 8.7391 8.7391 9.3338 9.3338 10.9395 10.9395 11.0399 11.0399 12.6530 12.6530 13.2933 13.2933 13.3581 13.3581 13.4081 13.4081 k = 0.1429 0.1429 0.1429 ( 4280 PWs) bands (ev): -30.9382 -30.9382 -12.2129 -12.2129 -11.8372 -11.8372 -11.8358 -11.8358 -7.4169 -7.4169 -7.4084 -7.4084 -7.3804 -7.3804 -7.3556 -7.3556 -7.3541 -7.3541 -7.3468 -7.3468 -4.9200 -4.9200 -4.9121 -4.9121 -4.9067 -4.9067 -4.8467 -4.8467 -4.8452 -4.8452 -4.8199 -4.8199 -4.7212 -4.7212 -4.6719 -4.6719 -4.6669 -4.6669 0.0709 0.0709 3.7180 3.7180 3.7311 3.7311 7.5194 7.5194 8.8229 8.8229 9.4444 9.4444 10.8521 10.8521 10.9115 10.9115 12.5110 12.5110 13.2959 13.2959 13.3995 13.3995 13.4252 13.4252 k = 0.1518 0.1518 0.1518 ( 4274 PWs) bands (ev): -30.9382 -30.9382 -12.2132 -12.2132 -11.8375 -11.8375 -11.8360 -11.8360 -7.4164 -7.4164 -7.4069 -7.4069 -7.3800 -7.3800 -7.3559 -7.3559 -7.3544 -7.3544 -7.3463 -7.3463 -4.9181 -4.9181 -4.9111 -4.9111 -4.9045 -4.9045 -4.8471 -4.8471 -4.8442 -4.8442 -4.8172 -4.8172 -4.7241 -4.7241 -4.6755 -4.6755 -4.6706 -4.6706 0.1178 0.1178 3.6696 3.6696 3.6828 3.6828 7.4790 7.4790 8.8991 8.8991 9.5559 9.5559 10.7787 10.7787 10.7878 10.7878 12.3551 12.3551 13.3034 13.3034 13.4364 13.4364 13.4537 13.4537 k = 0.1607 0.1607 0.1607 ( 4289 PWs) bands (ev): -30.9382 -30.9382 -12.2135 -12.2135 -11.8379 -11.8379 -11.8363 -11.8363 -7.4159 -7.4159 -7.4055 -7.4055 -7.3797 -7.3797 -7.3562 -7.3562 -7.3546 -7.3546 -7.3457 -7.3457 -4.9162 -4.9162 -4.9103 -4.9103 -4.9022 -4.9022 -4.8474 -4.8474 -4.8430 -4.8430 -4.8143 -4.8143 -4.7273 -4.7273 -4.6790 -4.6790 -4.6744 -4.6744 0.1674 0.1674 3.6215 3.6215 3.6346 3.6346 7.4386 7.4386 8.9642 8.9642 9.6651 9.6651 10.6713 10.6713 10.7225 10.7225 12.1910 12.1910 13.3131 13.3131 13.4584 13.4584 13.4742 13.4742 k = 0.1696 0.1696 0.1696 ( 4289 PWs) bands (ev): -30.9382 -30.9382 -12.2137 -12.2137 -11.8383 -11.8383 -11.8365 -11.8365 -7.4154 -7.4154 -7.4041 -7.4041 -7.3795 -7.3795 -7.3565 -7.3565 -7.3549 -7.3549 -7.3451 -7.3451 -4.9144 -4.9144 -4.9097 -4.9097 -4.8998 -4.8998 -4.8478 -4.8478 -4.8417 -4.8417 -4.8113 -4.8113 -4.7307 -4.7307 -4.6823 -4.6823 -4.6783 -4.6783 0.2195 0.2195 3.5739 3.5739 3.5869 3.5869 7.3987 7.3987 9.0143 9.0143 9.7663 9.7663 10.5670 10.5670 10.6874 10.6874 12.0225 12.0225 13.3233 13.3233 13.4793 13.4793 13.4939 13.4939 k = 0.1786 0.1786 0.1786 ( 4281 PWs) bands (ev): -30.9382 -30.9382 -12.2139 -12.2139 -11.8386 -11.8386 -11.8367 -11.8367 -7.4149 -7.4149 -7.4026 -7.4026 -7.3794 -7.3794 -7.3569 -7.3569 -7.3551 -7.3551 -7.3445 -7.3445 -4.9126 -4.9126 -4.9091 -4.9091 -4.8974 -4.8974 -4.8480 -4.8480 -4.8402 -4.8402 -4.8082 -4.8082 -4.7344 -4.7344 -4.6855 -4.6855 -4.6823 -4.6823 0.2743 0.2743 3.5270 3.5270 3.5397 3.5397 7.3596 7.3596 9.0458 9.0458 9.8478 9.8478 10.4853 10.4853 10.6765 10.6765 11.8526 11.8526 13.3335 13.3335 13.5009 13.5009 13.5143 13.5143 k = 0.1875 0.1875 0.1875 ( 4275 PWs) bands (ev): -30.9381 -30.9381 -12.2141 -12.2141 -11.8389 -11.8389 -11.8370 -11.8370 -7.4145 -7.4145 -7.4012 -7.4012 -7.3793 -7.3793 -7.3573 -7.3573 -7.3553 -7.3553 -7.3438 -7.3438 -4.9110 -4.9110 -4.9085 -4.9085 -4.8950 -4.8950 -4.8482 -4.8482 -4.8385 -4.8385 -4.8051 -4.8051 -4.7384 -4.7384 -4.6884 -4.6884 -4.6863 -4.6863 0.3315 0.3315 3.4810 3.4810 3.4933 3.4933 7.3216 7.3216 9.0567 9.0567 9.8900 9.8900 10.4437 10.4437 10.6920 10.6920 11.6845 11.6845 13.3433 13.3433 13.5234 13.5234 13.5356 13.5356 k = 0.1964 0.1964 0.1964 ( 4287 PWs) bands (ev): -30.9381 -30.9381 -12.2144 -12.2144 -11.8393 -11.8393 -11.8372 -11.8372 -7.4140 -7.4140 -7.3999 -7.3999 -7.3793 -7.3793 -7.3577 -7.3577 -7.3555 -7.3555 -7.3431 -7.3431 -4.9101 -4.9101 -4.9077 -4.9077 -4.8925 -4.8925 -4.8483 -4.8483 -4.8367 -4.8367 -4.8019 -4.8019 -4.7426 -4.7426 -4.6911 -4.6911 -4.6903 -4.6903 0.3912 0.3912 3.4360 3.4360 3.4477 3.4477 7.2848 7.2848 9.0467 9.0467 9.8764 9.8764 10.4551 10.4551 10.7336 10.7336 11.5228 11.5228 13.3523 13.3523 13.5467 13.5467 13.5575 13.5575 k = 0.2054 0.2054 0.2054 ( 4287 PWs) bands (ev): -30.9381 -30.9381 -12.2146 -12.2146 -11.8396 -11.8396 -11.8375 -11.8375 -7.4136 -7.4136 -7.3986 -7.3986 -7.3794 -7.3794 -7.3582 -7.3582 -7.3556 -7.3556 -7.3423 -7.3423 -4.9098 -4.9098 -4.9064 -4.9064 -4.8900 -4.8900 -4.8483 -4.8483 -4.8348 -4.8348 -4.7986 -4.7986 -4.7470 -4.7470 -4.6943 -4.6943 -4.6935 -4.6935 0.4534 0.4534 3.3920 3.3920 3.4031 3.4031 7.2495 7.2495 9.0177 9.0177 9.8157 9.8157 10.5028 10.5028 10.7995 10.7995 11.3758 11.3758 13.3605 13.3605 13.5707 13.5707 13.5802 13.5802 k = 0.2143 0.2143 0.2143 ( 4293 PWs) bands (ev): -30.9381 -30.9381 -12.2149 -12.2149 -11.8399 -11.8399 -11.8377 -11.8377 -7.4132 -7.4132 -7.3974 -7.3974 -7.3795 -7.3795 -7.3587 -7.3587 -7.3557 -7.3557 -7.3416 -7.3416 -4.9100 -4.9100 -4.9050 -4.9050 -4.8875 -4.8875 -4.8481 -4.8481 -4.8328 -4.8328 -4.7954 -4.7954 -4.7517 -4.7517 -4.6983 -4.6983 -4.6956 -4.6956 0.5179 0.5179 3.3493 3.3493 3.3597 3.3597 7.2158 7.2158 8.9727 8.9727 9.7290 9.7290 10.5489 10.5489 10.8864 10.8864 11.2607 11.2607 13.3676 13.3676 13.5953 13.5953 13.6034 13.6034 k = 0.2232 0.2232 0.2232 ( 4305 PWs) bands (ev): -30.9381 -30.9381 -12.2151 -12.2151 -11.8402 -11.8402 -11.8379 -11.8379 -7.4128 -7.4128 -7.3963 -7.3963 -7.3797 -7.3797 -7.3593 -7.3593 -7.3558 -7.3558 -7.3408 -7.3408 -4.9104 -4.9104 -4.9037 -4.9037 -4.8849 -4.8849 -4.8479 -4.8479 -4.8307 -4.8307 -4.7922 -4.7922 -4.7564 -4.7564 -4.7021 -4.7021 -4.6974 -4.6974 0.5846 0.5846 3.3079 3.3079 3.3175 3.3175 7.1838 7.1838 8.9153 8.9153 9.6304 9.6304 10.5504 10.5504 10.9904 10.9904 11.2069 11.2069 13.3734 13.3734 13.6205 13.6205 13.6271 13.6271 k = 0.2321 0.2321 0.2321 ( 4308 PWs) bands (ev): -30.9381 -30.9381 -12.2153 -12.2153 -11.8405 -11.8405 -11.8382 -11.8382 -7.4125 -7.4125 -7.3953 -7.3953 -7.3798 -7.3798 -7.3598 -7.3598 -7.3557 -7.3557 -7.3401 -7.3401 -4.9111 -4.9111 -4.9025 -4.9025 -4.8824 -4.8824 -4.8475 -4.8475 -4.8285 -4.8285 -4.7890 -4.7890 -4.7613 -4.7613 -4.7058 -4.7058 -4.6990 -4.6990 0.6536 0.6536 3.2678 3.2678 3.2766 3.2766 7.1537 7.1537 8.8486 8.8486 9.5267 9.5267 10.4830 10.4830 11.1083 11.1083 11.2319 11.2319 13.3775 13.3775 13.6460 13.6460 13.6512 13.6512 k = 0.2411 0.2411 0.2411 ( 4308 PWs) bands (ev): -30.9381 -30.9381 -12.2155 -12.2155 -11.8407 -11.8407 -11.8384 -11.8384 -7.4122 -7.4122 -7.3946 -7.3946 -7.3800 -7.3800 -7.3605 -7.3605 -7.3557 -7.3557 -7.3393 -7.3393 -4.9120 -4.9120 -4.9016 -4.9016 -4.8799 -4.8799 -4.8470 -4.8470 -4.8264 -4.8264 -4.7861 -4.7861 -4.7662 -4.7662 -4.7092 -4.7092 -4.7003 -4.7003 0.7247 0.7247 3.2292 3.2292 3.2370 3.2370 7.1255 7.1255 8.7755 8.7755 9.4211 9.4211 10.3632 10.3632 11.2370 11.2370 11.3159 11.3159 13.3798 13.3798 13.6717 13.6717 13.6757 13.6757 k = 0.2500 0.2500 0.2500 ( 4323 PWs) bands (ev): -30.9380 -30.9380 -12.2157 -12.2157 -11.8409 -11.8409 -11.8386 -11.8386 -7.4119 -7.4119 -7.3940 -7.3940 -7.3801 -7.3801 -7.3611 -7.3611 -7.3556 -7.3556 -7.3386 -7.3386 -4.9130 -4.9130 -4.9008 -4.9008 -4.8774 -4.8774 -4.8463 -4.8463 -4.8243 -4.8243 -4.7834 -4.7834 -4.7710 -4.7710 -4.7123 -4.7123 -4.7013 -4.7013 0.7978 0.7978 3.1920 3.1920 3.1988 3.1988 7.0993 7.0993 8.6981 8.6981 9.3154 9.3154 10.2170 10.2170 11.3740 11.3740 11.4314 11.4314 13.3797 13.3797 13.6973 13.6973 13.7002 13.7002 k = 0.2589 0.2589 0.2589 ( 4317 PWs) bands (ev): -30.9380 -30.9380 -12.2159 -12.2159 -11.8411 -11.8411 -11.8388 -11.8388 -7.4116 -7.4116 -7.3937 -7.3937 -7.3801 -7.3801 -7.3618 -7.3618 -7.3554 -7.3554 -7.3378 -7.3378 -4.9141 -4.9141 -4.9003 -4.9003 -4.8749 -4.8749 -4.8454 -4.8454 -4.8222 -4.8222 -4.7810 -4.7810 -4.7758 -4.7758 -4.7150 -4.7150 -4.7020 -4.7020 0.8729 0.8729 3.1563 3.1563 3.1621 3.1621 7.0750 7.0750 8.6180 8.6180 9.2104 9.2104 10.0593 10.0593 11.5175 11.5175 11.5627 11.5627 13.3769 13.3769 13.7229 13.7229 13.7249 13.7249 k = 0.2679 0.2679 0.2679 ( 4317 PWs) bands (ev): -30.9380 -30.9380 -12.2160 -12.2160 -11.8413 -11.8413 -11.8390 -11.8390 -7.4114 -7.4114 -7.3936 -7.3936 -7.3800 -7.3800 -7.3625 -7.3625 -7.3552 -7.3552 -7.3371 -7.3371 -4.9154 -4.9154 -4.9001 -4.9001 -4.8725 -4.8725 -4.8445 -4.8445 -4.8202 -4.8202 -4.7805 -4.7805 -4.7790 -4.7790 -4.7172 -4.7172 -4.7024 -4.7024 0.9499 0.9499 3.1222 3.1222 3.1269 3.1269 7.0527 7.0527 8.5365 8.5365 9.1065 9.1065 9.8970 9.8970 11.6658 11.6658 11.7022 11.7022 13.3707 13.3707 13.7480 13.7480 13.7494 13.7494 k = 0.2768 0.2768 0.2768 ( 4317 PWs) bands (ev): -30.9380 -30.9380 -12.2161 -12.2161 -11.8414 -11.8414 -11.8392 -11.8392 -7.4112 -7.4112 -7.3937 -7.3937 -7.3798 -7.3798 -7.3632 -7.3632 -7.3550 -7.3550 -7.3364 -7.3364 -4.9168 -4.9168 -4.9002 -4.9002 -4.8701 -4.8701 -4.8434 -4.8434 -4.8185 -4.8185 -4.7849 -4.7849 -4.7776 -4.7776 -4.7187 -4.7187 -4.7026 -4.7026 1.0286 1.0286 3.0896 3.0896 3.0932 3.0932 7.0323 7.0323 8.4547 8.4547 9.0040 9.0040 9.7337 9.7337 11.8177 11.8177 11.8461 11.8461 13.3604 13.3604 13.7726 13.7726 13.7737 13.7737 k = 0.2857 0.2857 0.2857 ( 4317 PWs) bands (ev): -30.9380 -30.9380 -12.2163 -12.2163 -11.8415 -11.8415 -11.8393 -11.8393 -7.4110 -7.4110 -7.3941 -7.3941 -7.3796 -7.3796 -7.3639 -7.3639 -7.3547 -7.3547 -7.3357 -7.3357 -4.9183 -4.9183 -4.9005 -4.9005 -4.8677 -4.8677 -4.8422 -4.8422 -4.8169 -4.8169 -4.7889 -4.7889 -4.7768 -4.7768 -4.7196 -4.7196 -4.7025 -4.7025 1.1088 1.1088 3.0585 3.0585 3.0611 3.0611 7.0137 7.0137 8.3732 8.3732 8.9029 8.9029 9.5717 9.5717 11.9719 11.9719 11.9919 11.9919 13.3455 13.3455 13.7965 13.7965 13.7976 13.7976 k = 0.2946 0.2946 0.2946 ( 4311 PWs) bands (ev): -30.9380 -30.9380 -12.2164 -12.2164 -11.8416 -11.8416 -11.8395 -11.8395 -7.4109 -7.4109 -7.3947 -7.3947 -7.3792 -7.3792 -7.3647 -7.3647 -7.3544 -7.3544 -7.3350 -7.3350 -4.9199 -4.9199 -4.9011 -4.9011 -4.8654 -4.8654 -4.8410 -4.8410 -4.8155 -4.8155 -4.7926 -4.7926 -4.7767 -4.7767 -4.7197 -4.7197 -4.7021 -4.7021 1.1906 1.1906 3.0290 3.0290 3.0304 3.0304 6.9968 6.9968 8.2926 8.2926 8.8030 8.8030 9.4127 9.4127 12.1273 12.1273 12.1382 12.1382 13.3250 13.3250 13.8196 13.8196 13.8209 13.8209 k = 0.3036 0.3036 0.3036 ( 4311 PWs) bands (ev): -30.9379 -30.9379 -12.2165 -12.2165 -11.8417 -11.8417 -11.8396 -11.8396 -7.4108 -7.4108 -7.3955 -7.3955 -7.3789 -7.3789 -7.3654 -7.3654 -7.3541 -7.3541 -7.3343 -7.3343 -4.9216 -4.9216 -4.9020 -4.9020 -4.8632 -4.8632 -4.8398 -4.8398 -4.8146 -4.8146 -4.7957 -4.7957 -4.7772 -4.7772 -4.7190 -4.7190 -4.7015 -4.7015 1.2736 1.2736 3.0010 3.0010 3.0013 3.0013 6.9814 6.9814 8.2136 8.2136 8.7038 8.7038 9.2580 9.2580 12.2830 12.2830 12.2837 12.2837 13.2981 13.2981 13.8418 13.8418 13.8435 13.8435 k = 0.3125 0.3125 0.3125 ( 4317 PWs) bands (ev): -30.9379 -30.9379 -12.2166 -12.2166 -11.8417 -11.8417 -11.8398 -11.8398 -7.4107 -7.4107 -7.3963 -7.3963 -7.3785 -7.3785 -7.3662 -7.3662 -7.3537 -7.3537 -7.3337 -7.3337 -4.9233 -4.9233 -4.9031 -4.9031 -4.8611 -4.8611 -4.8386 -4.8386 -4.8141 -4.8141 -4.7982 -4.7982 -4.7783 -4.7783 -4.7177 -4.7177 -4.7007 -4.7007 1.3578 1.3578 2.9738 2.9738 2.9745 2.9745 6.9673 6.9673 8.1363 8.1363 8.6048 8.6048 9.1092 9.1092 12.4274 12.4274 12.4380 12.4380 13.2641 13.2641 13.8630 13.8630 13.8653 13.8653 k = 0.3214 0.3214 0.3214 ( 4314 PWs) bands (ev): -30.9379 -30.9379 -12.2166 -12.2166 -11.8418 -11.8418 -11.8399 -11.8399 -7.4107 -7.4107 -7.3973 -7.3973 -7.3781 -7.3781 -7.3669 -7.3669 -7.3533 -7.3533 -7.3331 -7.3331 -4.9251 -4.9251 -4.9044 -4.9044 -4.8591 -4.8591 -4.8376 -4.8376 -4.8141 -4.8141 -4.7998 -4.7998 -4.7799 -4.7799 -4.7159 -4.7159 -4.6997 -4.6997 1.4429 1.4429 2.9478 2.9478 2.9496 2.9496 6.9543 6.9543 8.0612 8.0612 8.5051 8.5051 8.9679 8.9679 12.5686 12.5686 12.5913 12.5913 13.2223 13.2223 13.8832 13.8832 13.8861 13.8861 k = 0.3304 0.3304 0.3304 ( 4320 PWs) bands (ev): -30.9379 -30.9379 -12.2167 -12.2167 -11.8418 -11.8418 -11.8400 -11.8400 -7.4107 -7.4107 -7.3984 -7.3984 -7.3778 -7.3778 -7.3677 -7.3677 -7.3529 -7.3529 -7.3325 -7.3325 -4.9269 -4.9269 -4.9060 -4.9060 -4.8572 -4.8572 -4.8368 -4.8368 -4.8145 -4.8145 -4.8007 -4.8007 -4.7818 -4.7818 -4.7136 -4.7136 -4.6985 -4.6985 1.5288 1.5288 2.9232 2.9232 2.9262 2.9262 6.9419 6.9419 7.9885 7.9885 8.4038 8.4038 8.8358 8.8358 12.7064 12.7064 12.7419 12.7419 13.1724 13.1724 13.9024 13.9024 13.9058 13.9058 k = 0.3393 0.3393 0.3393 ( 4314 PWs) bands (ev): -30.9379 -30.9379 -12.2167 -12.2167 -11.8418 -11.8418 -11.8401 -11.8401 -7.4107 -7.4107 -7.3994 -7.3994 -7.3775 -7.3775 -7.3684 -7.3684 -7.3525 -7.3525 -7.3320 -7.3320 -4.9287 -4.9287 -4.9077 -4.9077 -4.8554 -4.8554 -4.8362 -4.8362 -4.8151 -4.8151 -4.8010 -4.8010 -4.7839 -4.7839 -4.7110 -4.7110 -4.6972 -4.6972 1.6151 1.6151 2.9002 2.9002 2.9043 2.9043 6.9300 6.9300 7.9185 7.9185 8.3001 8.3001 8.7144 8.7144 12.8401 12.8401 12.8888 12.8888 13.1146 13.1146 13.9207 13.9207 13.9245 13.9245 k = 0.3482 0.3482 0.3482 ( 4317 PWs) bands (ev): -30.9379 -30.9379 -12.2168 -12.2168 -11.8418 -11.8418 -11.8402 -11.8402 -7.4108 -7.4108 -7.4006 -7.4006 -7.3772 -7.3772 -7.3692 -7.3692 -7.3521 -7.3521 -7.3315 -7.3315 -4.9305 -4.9305 -4.9096 -4.9096 -4.8537 -4.8537 -4.8360 -4.8360 -4.8155 -4.8155 -4.8009 -4.8009 -4.7861 -4.7861 -4.7082 -4.7082 -4.6957 -4.6957 1.7016 1.7016 2.8787 2.8787 2.8838 2.8838 6.9178 6.9178 7.8514 7.8514 8.1938 8.1938 8.6048 8.6048 12.9693 12.9693 13.0308 13.0308 13.0496 13.0496 13.9381 13.9381 13.9420 13.9420 k = 0.3571 0.3571 0.3571 ( 4323 PWs) bands (ev): -30.9379 -30.9379 -12.2168 -12.2168 -11.8417 -11.8417 -11.8403 -11.8403 -7.4108 -7.4108 -7.4017 -7.4017 -7.3769 -7.3769 -7.3699 -7.3699 -7.3517 -7.3517 -7.3310 -7.3310 -4.9324 -4.9324 -4.9115 -4.9115 -4.8522 -4.8522 -4.8362 -4.8362 -4.8156 -4.8156 -4.8007 -4.8007 -4.7884 -4.7884 -4.7053 -4.7053 -4.6941 -4.6941 1.7881 1.7881 2.8586 2.8586 2.8647 2.8647 6.9048 6.9048 7.7872 7.7872 8.0856 8.0856 8.5072 8.5072 12.9783 12.9783 13.0932 13.0932 13.1669 13.1669 13.9547 13.9547 13.9584 13.9584 k = 0.3661 0.3661 0.3661 ( 4323 PWs) bands (ev): -30.9379 -30.9379 -12.2168 -12.2168 -11.8417 -11.8417 -11.8404 -11.8404 -7.4110 -7.4110 -7.4028 -7.4028 -7.3767 -7.3767 -7.3706 -7.3706 -7.3513 -7.3513 -7.3306 -7.3306 -4.9342 -4.9342 -4.9135 -4.9135 -4.8507 -4.8507 -4.8367 -4.8367 -4.8154 -4.8154 -4.8004 -4.8004 -4.7907 -4.7907 -4.7023 -4.7023 -4.6925 -4.6925 1.8741 1.8741 2.8400 2.8400 2.8471 2.8471 6.8903 6.8903 7.7263 7.7263 7.9774 7.9774 8.4209 8.4209 12.9023 12.9023 13.2116 13.2116 13.2962 13.2962 13.9705 13.9705 13.9738 13.9738 k = 0.3750 0.3750 0.3750 ( 4323 PWs) bands (ev): -30.9379 -30.9379 -12.2169 -12.2169 -11.8416 -11.8416 -11.8405 -11.8405 -7.4111 -7.4111 -7.4039 -7.4039 -7.3766 -7.3766 -7.3713 -7.3713 -7.3509 -7.3509 -7.3302 -7.3302 -4.9360 -4.9360 -4.9156 -4.9156 -4.8495 -4.8495 -4.8373 -4.8373 -4.8149 -4.8149 -4.8001 -4.8001 -4.7929 -4.7929 -4.6993 -4.6993 -4.6907 -4.6907 1.9592 1.9592 2.8227 2.8227 2.8308 2.8308 6.8734 6.8734 7.6687 7.6687 7.8713 7.8713 8.3446 8.3446 12.8231 12.8231 13.3241 13.3241 13.4175 13.4175 13.9857 13.9857 13.9883 13.9883 k = 0.3839 0.3839 0.3839 ( 4311 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8415 -11.8415 -11.8405 -11.8405 -7.4112 -7.4112 -7.4050 -7.4050 -7.3764 -7.3764 -7.3719 -7.3719 -7.3505 -7.3505 -7.3298 -7.3298 -4.9377 -4.9377 -4.9177 -4.9177 -4.8484 -4.8484 -4.8382 -4.8382 -4.8141 -4.8141 -4.7998 -4.7998 -4.7949 -4.7949 -4.6964 -4.6964 -4.6890 -4.6890 2.0431 2.0431 2.8068 2.8068 2.8158 2.8158 6.8531 6.8531 7.6146 7.6146 7.7701 7.7701 8.2773 8.2773 12.7423 12.7423 13.4303 13.4303 13.5300 13.5300 14.0003 14.0003 14.0022 14.0022 k = 0.3929 0.3929 0.3929 ( 4323 PWs) bands (ev): -30.9378 -30.9378 -12.2169 -12.2169 -11.8415 -11.8415 -11.8406 -11.8406 -7.4114 -7.4114 -7.4060 -7.4060 -7.3763 -7.3763 -7.3725 -7.3725 -7.3501 -7.3501 -7.3294 -7.3294 -4.9395 -4.9395 -4.9197 -4.9197 -4.8474 -4.8474 -4.8390 -4.8390 -4.8133 -4.8133 -4.7995 -4.7995 -4.7968 -4.7968 -4.6936 -4.6936 -4.6873 -4.6873 2.1252 2.1252 2.7923 2.7923 2.8021 2.8021 6.8284 6.8284 7.5640 7.5640 7.6761 7.6761 8.2178 8.2178 12.6617 12.6617 13.5298 13.5298 13.6327 13.6327 14.0146 14.0146 14.0158 14.0158 k = 0.4018 0.4018 0.4018 ( 4317 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8414 -11.8414 -11.8406 -11.8406 -7.4115 -7.4115 -7.4070 -7.4070 -7.3763 -7.3763 -7.3731 -7.3731 -7.3498 -7.3498 -7.3291 -7.3291 -4.9411 -4.9411 -4.9216 -4.9216 -4.8467 -4.8467 -4.8399 -4.8399 -4.8123 -4.8123 -4.7992 -4.7992 -4.7986 -4.7986 -4.6908 -4.6908 -4.6856 -4.6856 2.2050 2.2050 2.7791 2.7791 2.7897 2.7897 6.7985 6.7985 7.5171 7.5171 7.5914 7.5914 8.1653 8.1653 12.5827 12.5827 13.6225 13.6225 13.7249 13.7249 14.0289 14.0289 14.0297 14.0297 k = 0.4107 0.4107 0.4107 ( 4305 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8413 -11.8413 -11.8406 -11.8406 -7.4117 -7.4117 -7.4079 -7.4079 -7.3762 -7.3762 -7.3736 -7.3736 -7.3495 -7.3495 -7.3288 -7.3288 -4.9427 -4.9427 -4.9235 -4.9235 -4.8460 -4.8460 -4.8407 -4.8407 -4.8114 -4.8114 -4.8001 -4.8001 -4.7990 -4.7990 -4.6883 -4.6883 -4.6840 -4.6840 2.2818 2.2818 2.7671 2.7671 2.7785 2.7785 6.7628 6.7628 7.4740 7.4740 7.5176 7.5176 8.1191 8.1191 12.5066 12.5066 13.7077 13.7077 13.8054 13.8054 14.0436 14.0436 14.0449 14.0449 k = 0.4196 0.4196 0.4196 ( 4296 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8412 -11.8412 -11.8406 -11.8406 -7.4119 -7.4119 -7.4088 -7.4088 -7.3762 -7.3762 -7.3741 -7.3741 -7.3492 -7.3492 -7.3286 -7.3286 -4.9442 -4.9442 -4.9252 -4.9252 -4.8455 -4.8455 -4.8415 -4.8415 -4.8105 -4.8105 -4.8015 -4.8015 -4.7988 -4.7988 -4.6859 -4.6859 -4.6824 -4.6824 2.3550 2.3550 2.7565 2.7565 2.7684 2.7684 6.7216 6.7216 7.4347 7.4347 7.4555 7.4555 8.0788 8.0788 12.4346 12.4346 13.7845 13.7845 13.8728 13.8728 14.0594 14.0594 14.0629 14.0629 k = 0.4286 0.4286 0.4286 ( 4296 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8411 -11.8411 -11.8407 -11.8407 -7.4120 -7.4120 -7.4096 -7.4096 -7.3762 -7.3762 -7.3745 -7.3745 -7.3489 -7.3489 -7.3283 -7.3283 -4.9456 -4.9456 -4.9267 -4.9267 -4.8452 -4.8452 -4.8422 -4.8422 -4.8096 -4.8096 -4.8026 -4.8026 -4.7986 -4.7986 -4.6837 -4.6837 -4.6810 -4.6810 2.4238 2.4238 2.7470 2.7470 2.7596 2.7596 6.6761 6.6761 7.3993 7.3993 7.4048 7.4048 8.0440 8.0440 12.3676 12.3676 13.8516 13.8516 13.9254 13.9254 14.0775 14.0775 14.0857 14.0857 k = 0.4375 0.4375 0.4375 ( 4296 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8411 -11.8411 -11.8407 -11.8407 -7.4122 -7.4122 -7.4103 -7.4103 -7.3762 -7.3762 -7.3749 -7.3749 -7.3487 -7.3487 -7.3281 -7.3281 -4.9469 -4.9469 -4.9281 -4.9281 -4.8449 -4.8449 -4.8428 -4.8428 -4.8088 -4.8088 -4.8036 -4.8036 -4.7984 -4.7984 -4.6818 -4.6818 -4.6797 -4.6797 2.4873 2.4873 2.7388 2.7388 2.7518 2.7518 6.6282 6.6282 7.3646 7.3646 7.3680 7.3680 8.0142 8.0142 12.3065 12.3065 13.9072 13.9072 13.9624 13.9624 14.0995 14.0995 14.1141 14.1141 k = 0.4464 0.4464 0.4464 ( 4290 PWs) bands (ev): -30.9378 -30.9378 -12.2167 -12.2167 -11.8410 -11.8410 -11.8407 -11.8407 -7.4123 -7.4123 -7.4110 -7.4110 -7.3762 -7.3762 -7.3752 -7.3752 -7.3485 -7.3485 -7.3280 -7.3280 -4.9481 -4.9481 -4.9294 -4.9294 -4.8448 -4.8448 -4.8433 -4.8433 -4.8081 -4.8081 -4.8044 -4.8044 -4.7983 -4.7983 -4.6801 -4.6801 -4.6785 -4.6785 2.5448 2.5448 2.7318 2.7318 2.7451 2.7451 6.5802 6.5802 7.3334 7.3334 7.3407 7.3407 7.9892 7.9892 12.2522 12.2522 13.9498 13.9498 13.9866 13.9866 14.1264 14.1264 14.1461 14.1461 k = 0.4554 0.4554 0.4554 ( 4290 PWs) bands (ev): -30.9378 -30.9378 -12.2167 -12.2167 -11.8409 -11.8409 -11.8407 -11.8407 -7.4125 -7.4125 -7.4115 -7.4115 -7.3762 -7.3762 -7.3755 -7.3755 -7.3483 -7.3483 -7.3278 -7.3278 -4.9491 -4.9491 -4.9304 -4.9304 -4.8447 -4.8447 -4.8437 -4.8437 -4.8076 -4.8076 -4.8050 -4.8050 -4.7982 -4.7982 -4.6786 -4.6786 -4.6775 -4.6775 2.5952 2.5952 2.7261 2.7261 2.7396 2.7396 6.5348 6.5348 7.3097 7.3097 7.3175 7.3175 7.9687 7.9687 12.2051 12.2051 13.9797 13.9797 14.0020 14.0020 14.1571 14.1571 14.1777 14.1777 k = 0.4643 0.4643 0.4643 ( 4269 PWs) bands (ev): -30.9378 -30.9378 -12.2167 -12.2167 -11.8408 -11.8408 -11.8407 -11.8407 -7.4126 -7.4126 -7.4120 -7.4120 -7.3762 -7.3762 -7.3758 -7.3758 -7.3482 -7.3482 -7.3277 -7.3277 -4.9499 -4.9499 -4.9313 -4.9313 -4.8447 -4.8447 -4.8441 -4.8441 -4.8071 -4.8071 -4.8055 -4.8055 -4.7980 -4.7980 -4.6773 -4.6773 -4.6767 -4.6767 2.6376 2.6376 2.7217 2.7217 2.7350 2.7350 6.4942 6.4942 7.2921 7.2921 7.2985 7.2985 7.9523 7.9523 12.1659 12.1659 13.9996 13.9996 14.0122 14.0122 14.1886 14.1886 14.2057 14.2057 k = 0.4732 0.4732 0.4732 ( 4272 PWs) bands (ev): -30.9378 -30.9378 -12.2167 -12.2167 -11.8408 -11.8408 -11.8407 -11.8407 -7.4127 -7.4127 -7.4123 -7.4123 -7.3762 -7.3762 -7.3760 -7.3760 -7.3481 -7.3481 -7.3276 -7.3276 -4.9506 -4.9506 -4.9320 -4.9320 -4.8447 -4.8447 -4.8444 -4.8444 -4.8067 -4.8067 -4.8058 -4.8058 -4.7979 -4.7979 -4.6764 -4.6764 -4.6760 -4.6760 2.6708 2.6708 2.7191 2.7191 2.7315 2.7315 6.4605 6.4605 7.2795 7.2795 7.2836 7.2836 7.9398 7.9398 12.1350 12.1350 14.0124 14.0124 14.0188 14.0188 14.2168 14.2168 14.2285 14.2285 k = 0.4821 0.4821 0.4821 ( 4272 PWs) bands (ev): -30.9378 -30.9378 -12.2166 -12.2166 -11.8408 -11.8408 -11.8407 -11.8407 -7.4127 -7.4127 -7.4126 -7.4126 -7.3762 -7.3762 -7.3761 -7.3761 -7.3480 -7.3480 -7.3275 -7.3275 -4.9511 -4.9511 -4.9325 -4.9325 -4.8447 -4.8447 -4.8446 -4.8446 -4.8065 -4.8065 -4.8061 -4.8061 -4.7979 -4.7979 -4.6757 -4.6757 -4.6755 -4.6755 2.6928 2.6928 2.7196 2.7196 2.7290 2.7290 6.4353 6.4353 7.2710 7.2710 7.2730 7.2730 7.9311 7.9311 12.1126 12.1126 14.0204 14.0204 14.0230 14.0230 14.2389 14.2389 14.2452 14.2452 k = 0.4911 0.4911 0.4911 ( 4272 PWs) bands (ev): -30.9378 -30.9378 -12.2166 -12.2166 -11.8408 -11.8408 -11.8407 -11.8407 -7.4128 -7.4128 -7.4127 -7.4127 -7.3762 -7.3762 -7.3762 -7.3762 -7.3479 -7.3479 -7.3275 -7.3275 -4.9514 -4.9514 -4.9328 -4.9328 -4.8447 -4.8447 -4.8447 -4.8447 -4.8063 -4.8063 -4.8062 -4.8062 -4.7978 -4.7978 -4.6753 -4.6753 -4.6752 -4.6752 2.7019 2.7019 2.7241 2.7241 2.7275 2.7275 6.4197 6.4197 7.2661 7.2661 7.2666 7.2666 7.9260 7.9260 12.0992 12.0992 14.0248 14.0248 14.0254 14.0254 14.2529 14.2529 14.2553 14.2553 k = 0.5000 0.5000 0.5000 ( 4272 PWs) bands (ev): -30.9378 -30.9378 -12.2166 -12.2166 -11.8407 -11.8407 -11.8407 -11.8407 -7.4128 -7.4128 -7.4128 -7.4128 -7.3762 -7.3762 -7.3762 -7.3762 -7.3479 -7.3479 -7.3275 -7.3275 -4.9515 -4.9515 -4.9329 -4.9329 -4.8447 -4.8447 -4.8447 -4.8447 -4.8063 -4.8063 -4.8063 -4.8063 -4.7978 -4.7978 -4.6751 -4.6751 -4.6751 -4.6751 2.7036 2.7036 2.7270 2.7270 2.7270 2.7270 6.4144 6.4144 7.2645 7.2645 7.2645 7.2645 7.9243 7.9243 12.0946 12.0946 14.0262 14.0262 14.0262 14.0262 14.2574 14.2574 14.2587 14.2587 k = 0.5000 0.5000 0.5000 ( 4272 PWs) bands (ev): -30.9378 -30.9378 -12.2166 -12.2166 -11.8407 -11.8407 -11.8407 -11.8407 -7.4128 -7.4128 -7.4128 -7.4128 -7.3762 -7.3762 -7.3762 -7.3762 -7.3479 -7.3479 -7.3275 -7.3275 -4.9515 -4.9515 -4.9329 -4.9329 -4.8447 -4.8447 -4.8447 -4.8447 -4.8063 -4.8063 -4.8063 -4.8063 -4.7978 -4.7978 -4.6751 -4.6751 -4.6751 -4.6751 2.7036 2.7036 2.7270 2.7270 2.7270 2.7270 6.4144 6.4144 7.2645 7.2645 7.2645 7.2645 7.9243 7.9243 12.0946 12.0946 14.0262 14.0262 14.0262 14.0262 14.2574 14.2574 14.2587 14.2587 k = 0.4891 0.5000 0.4891 ( 4272 PWs) bands (ev): -30.9378 -30.9378 -12.2166 -12.2166 -11.8408 -11.8408 -11.8407 -11.8407 -7.4128 -7.4128 -7.4127 -7.4127 -7.3762 -7.3762 -7.3762 -7.3762 -7.3479 -7.3479 -7.3275 -7.3275 -4.9514 -4.9514 -4.9328 -4.9328 -4.8447 -4.8447 -4.8447 -4.8447 -4.8063 -4.8063 -4.8062 -4.8062 -4.7978 -4.7978 -4.6753 -4.6753 -4.6752 -4.6752 2.7020 2.7020 2.7242 2.7242 2.7274 2.7274 6.4197 6.4197 7.2654 7.2654 7.2673 7.2673 7.9259 7.9259 12.0991 12.0991 14.0246 14.0246 14.0256 14.0256 14.2529 14.2529 14.2556 14.2556 k = 0.4783 0.5000 0.4783 ( 4272 PWs) bands (ev): -30.9378 -30.9378 -12.2166 -12.2166 -11.8408 -11.8408 -11.8407 -11.8407 -7.4127 -7.4127 -7.4126 -7.4126 -7.3762 -7.3762 -7.3761 -7.3761 -7.3480 -7.3480 -7.3275 -7.3275 -4.9511 -4.9511 -4.9325 -4.9325 -4.8447 -4.8447 -4.8446 -4.8446 -4.8064 -4.8064 -4.8061 -4.8061 -4.7979 -4.7979 -4.6757 -4.6757 -4.6755 -4.6755 2.6946 2.6946 2.7179 2.7179 2.7291 2.7291 6.4351 6.4351 7.2679 7.2679 7.2758 7.2758 7.9311 7.9311 12.1124 12.1124 14.0197 14.0197 14.0239 14.0239 14.2388 14.2388 14.2461 14.2461 k = 0.4674 0.5000 0.4674 ( 4272 PWs) bands (ev): -30.9378 -30.9378 -12.2167 -12.2167 -11.8408 -11.8408 -11.8407 -11.8407 -7.4126 -7.4126 -7.4123 -7.4123 -7.3762 -7.3762 -7.3760 -7.3760 -7.3481 -7.3481 -7.3276 -7.3276 -4.9506 -4.9506 -4.9320 -4.9320 -4.8447 -4.8447 -4.8444 -4.8444 -4.8066 -4.8066 -4.8059 -4.8059 -4.7979 -4.7979 -4.6763 -4.6763 -4.6760 -4.6760 2.6770 2.6770 2.7113 2.7113 2.7335 2.7335 6.4603 6.4603 7.2723 7.2723 7.2900 7.2900 7.9398 7.9398 12.1345 12.1345 14.0111 14.0111 14.0210 14.0210 14.2159 14.2159 14.2308 14.2308 k = 0.4565 0.5000 0.4565 ( 4276 PWs) bands (ev): -30.9378 -30.9378 -12.2167 -12.2167 -11.8409 -11.8409 -11.8407 -11.8407 -7.4125 -7.4125 -7.4120 -7.4120 -7.3762 -7.3762 -7.3758 -7.3758 -7.3482 -7.3482 -7.3277 -7.3277 -4.9499 -4.9499 -4.9313 -4.9313 -4.8446 -4.8446 -4.8441 -4.8441 -4.8069 -4.8069 -4.8056 -4.8056 -4.7980 -4.7980 -4.6773 -4.6773 -4.6767 -4.6767 2.6495 2.6495 2.7042 2.7042 2.7411 2.7411 6.4944 6.4944 7.2784 7.2784 7.3101 7.3101 7.9525 7.9525 12.1650 12.1650 13.9978 13.9978 14.0167 14.0167 14.1850 14.1850 14.2102 14.2102 k = 0.4457 0.5000 0.4457 ( 4286 PWs) bands (ev): -30.9378 -30.9378 -12.2167 -12.2167 -11.8409 -11.8409 -11.8407 -11.8407 -7.4124 -7.4124 -7.4116 -7.4116 -7.3762 -7.3762 -7.3755 -7.3755 -7.3483 -7.3483 -7.3278 -7.3278 -4.9491 -4.9491 -4.9305 -4.9305 -4.8446 -4.8446 -4.8438 -4.8438 -4.8073 -4.8073 -4.8052 -4.8052 -4.7982 -4.7982 -4.6785 -4.6785 -4.6776 -4.6776 2.6141 2.6141 2.6956 2.6956 2.7517 2.7517 6.5362 6.5362 7.2863 7.2863 7.3362 7.3362 7.9696 7.9696 12.2037 12.2037 13.9783 13.9783 14.0110 14.0110 14.1467 14.1467 14.1859 14.1859 k = 0.4348 0.5000 0.4348 ( 4290 PWs) bands (ev): -30.9378 -30.9378 -12.2167 -12.2167 -11.8410 -11.8410 -11.8407 -11.8407 -7.4122 -7.4122 -7.4111 -7.4111 -7.3761 -7.3761 -7.3753 -7.3753 -7.3485 -7.3485 -7.3279 -7.3279 -4.9481 -4.9481 -4.9294 -4.9294 -4.8446 -4.8446 -4.8435 -4.8435 -4.8078 -4.8078 -4.8048 -4.8048 -4.7983 -4.7983 -4.6799 -4.6799 -4.6786 -4.6786 2.5720 2.5720 2.6852 2.6852 2.7649 2.7649 6.5844 6.5844 7.2962 7.2962 7.3683 7.3683 7.9916 7.9916 12.2501 12.2501 13.9511 13.9511 14.0036 14.0036 14.1011 14.1011 14.1601 14.1601 k = 0.4239 0.5000 0.4239 ( 4298 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8411 -11.8411 -11.8407 -11.8407 -7.4121 -7.4121 -7.4105 -7.4105 -7.3761 -7.3761 -7.3749 -7.3749 -7.3487 -7.3487 -7.3281 -7.3281 -4.9469 -4.9469 -4.9282 -4.9282 -4.8446 -4.8446 -4.8431 -4.8431 -4.8083 -4.8083 -4.8042 -4.8042 -4.7984 -4.7984 -4.6815 -4.6815 -4.6799 -4.6799 2.5241 2.5241 2.6730 2.6730 2.7808 2.7808 6.6375 6.6375 7.3081 7.3081 7.4065 7.4065 8.0193 8.0193 12.3037 12.3037 13.9143 13.9143 13.9943 13.9943 14.0482 14.0482 14.1351 14.1351 k = 0.4130 0.5000 0.4130 ( 4294 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8412 -11.8412 -11.8407 -11.8407 -7.4118 -7.4118 -7.4098 -7.4098 -7.3761 -7.3761 -7.3746 -7.3746 -7.3489 -7.3489 -7.3283 -7.3283 -4.9456 -4.9456 -4.9268 -4.9268 -4.8446 -4.8446 -4.8427 -4.8427 -4.8088 -4.8088 -4.8036 -4.8036 -4.7985 -4.7985 -4.6834 -4.6834 -4.6813 -4.6813 2.4713 2.4713 2.6589 2.6589 2.7993 2.7993 6.6942 6.6942 7.3220 7.3220 7.4506 7.4506 8.0537 8.0537 12.3637 12.3637 13.8670 13.8670 13.9824 13.9824 13.9883 13.9883 14.1126 14.1126 k = 0.4022 0.5000 0.4022 ( 4298 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8412 -11.8412 -11.8406 -11.8406 -7.4116 -7.4116 -7.4091 -7.4091 -7.3761 -7.3761 -7.3742 -7.3742 -7.3492 -7.3492 -7.3285 -7.3285 -4.9442 -4.9442 -4.9252 -4.9252 -4.8447 -4.8447 -4.8422 -4.8422 -4.8094 -4.8094 -4.8029 -4.8029 -4.7986 -4.7986 -4.6855 -4.6855 -4.6828 -4.6828 2.4144 2.4144 2.6431 2.6431 2.8202 2.8202 6.7530 6.7530 7.3383 7.3383 7.5000 7.5000 8.0959 8.0959 12.4292 12.4292 13.8081 13.8081 13.9217 13.9217 13.9686 13.9686 14.0929 14.0929 k = 0.3913 0.5000 0.3913 ( 4300 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8414 -11.8414 -11.8406 -11.8406 -7.4114 -7.4114 -7.4083 -7.4083 -7.3761 -7.3761 -7.3737 -7.3737 -7.3494 -7.3494 -7.3288 -7.3288 -4.9427 -4.9427 -4.9235 -4.9235 -4.8448 -4.8448 -4.8418 -4.8418 -4.8099 -4.8099 -4.8022 -4.8022 -4.7986 -4.7986 -4.6877 -4.6877 -4.6845 -4.6845 2.3543 2.3543 2.6255 2.6255 2.8437 2.8437 6.8127 6.8127 7.3569 7.3569 7.5540 7.5540 8.1470 8.1470 12.4993 12.4993 13.7356 13.7356 13.8528 13.8528 13.9513 13.9513 14.0755 14.0755 k = 0.3804 0.5000 0.3804 ( 4310 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8415 -11.8415 -11.8406 -11.8406 -7.4111 -7.4111 -7.4074 -7.4074 -7.3761 -7.3761 -7.3733 -7.3733 -7.3497 -7.3497 -7.3291 -7.3291 -4.9411 -4.9411 -4.9216 -4.9216 -4.8451 -4.8451 -4.8413 -4.8413 -4.8105 -4.8105 -4.8015 -4.8015 -4.7983 -4.7983 -4.6902 -4.6902 -4.6864 -4.6864 2.2915 2.2915 2.6062 2.6062 2.8696 2.8696 6.8726 6.8726 7.3780 7.3780 7.6114 7.6114 8.2085 8.2085 12.5723 12.5723 13.6468 13.6468 13.7858 13.7858 13.9305 13.9305 14.0599 14.0599 k = 0.3696 0.5000 0.3696 ( 4310 PWs) bands (ev): -30.9378 -30.9378 -12.2169 -12.2169 -11.8416 -11.8416 -11.8405 -11.8405 -7.4108 -7.4108 -7.4065 -7.4065 -7.3761 -7.3761 -7.3728 -7.3728 -7.3501 -7.3501 -7.3294 -7.3294 -4.9394 -4.9394 -4.9195 -4.9195 -4.8456 -4.8456 -4.8408 -4.8408 -4.8110 -4.8110 -4.8012 -4.8012 -4.7976 -4.7976 -4.6927 -4.6927 -4.6884 -4.6884 2.2269 2.2269 2.5853 2.5853 2.8979 2.8979 6.9320 6.9320 7.4019 7.4019 7.6709 7.6709 8.2814 8.2814 12.6464 12.6464 13.5409 13.5409 13.7241 13.7241 13.9055 13.9055 14.0454 14.0454 k = 0.3587 0.5000 0.3587 ( 4310 PWs) bands (ev): -30.9378 -30.9378 -12.2169 -12.2169 -11.8417 -11.8417 -11.8404 -11.8404 -7.4106 -7.4106 -7.4055 -7.4055 -7.3761 -7.3761 -7.3723 -7.3723 -7.3504 -7.3504 -7.3298 -7.3298 -4.9376 -4.9376 -4.9174 -4.9174 -4.8461 -4.8461 -4.8404 -4.8404 -4.8114 -4.8114 -4.8011 -4.8011 -4.7965 -4.7965 -4.6954 -4.6954 -4.6904 -4.6904 2.1609 2.1609 2.5629 2.5629 2.9287 2.9287 6.9908 6.9908 7.4286 7.4286 7.7314 7.7314 8.3664 8.3664 12.7186 12.7186 13.4196 13.4196 13.6697 13.6697 13.8759 13.8759 14.0317 14.0317 k = 0.3478 0.5000 0.3478 ( 4310 PWs) bands (ev): -30.9378 -30.9378 -12.2169 -12.2169 -11.8418 -11.8418 -11.8403 -11.8403 -7.4103 -7.4103 -7.4045 -7.4045 -7.3761 -7.3761 -7.3717 -7.3717 -7.3507 -7.3507 -7.3301 -7.3301 -4.9358 -4.9358 -4.9151 -4.9151 -4.8469 -4.8469 -4.8399 -4.8399 -4.8118 -4.8118 -4.8012 -4.8012 -4.7950 -4.7950 -4.6982 -4.6982 -4.6926 -4.6926 2.0941 2.0941 2.5390 2.5390 2.9619 2.9619 7.0488 7.0488 7.4583 7.4583 7.7920 7.7920 8.4639 8.4639 12.7850 12.7850 13.2848 13.2848 13.6251 13.6251 13.8411 13.8411 14.0187 14.0187 k = 0.3370 0.5000 0.3370 ( 4314 PWs) bands (ev): -30.9379 -30.9379 -12.2169 -12.2169 -11.8419 -11.8419 -11.8403 -11.8403 -7.4100 -7.4100 -7.4035 -7.4035 -7.3761 -7.3761 -7.3712 -7.3712 -7.3511 -7.3511 -7.3306 -7.3306 -4.9340 -4.9340 -4.9128 -4.9128 -4.8479 -4.8479 -4.8394 -4.8394 -4.8121 -4.8121 -4.8015 -4.8015 -4.7931 -4.7931 -4.7011 -4.7011 -4.6948 -4.6948 2.0269 2.0269 2.5137 2.5137 2.9975 2.9975 7.1062 7.1062 7.4912 7.4912 7.8522 7.8522 8.5733 8.5733 12.8395 12.8395 13.1392 13.1392 13.5946 13.5946 13.8008 13.8008 14.0063 14.0063 k = 0.3261 0.5000 0.3261 ( 4318 PWs) bands (ev): -30.9379 -30.9379 -12.2169 -12.2169 -11.8420 -11.8420 -11.8402 -11.8402 -7.4097 -7.4097 -7.4025 -7.4025 -7.3762 -7.3762 -7.3707 -7.3707 -7.3514 -7.3514 -7.3310 -7.3310 -4.9322 -4.9322 -4.9103 -4.9103 -4.8490 -4.8490 -4.8388 -4.8388 -4.8124 -4.8124 -4.8018 -4.8018 -4.7911 -4.7911 -4.7041 -4.7041 -4.6971 -4.6971 1.9598 1.9598 2.4872 2.4872 3.0355 3.0355 7.1633 7.1633 7.5273 7.5273 7.9121 7.9121 8.6939 8.6939 12.8731 12.8731 12.9875 12.9875 13.5830 13.5830 13.7549 13.7549 13.9948 13.9948 k = 0.3152 0.5000 0.3152 ( 4310 PWs) bands (ev): -30.9379 -30.9379 -12.2169 -12.2169 -11.8421 -11.8421 -11.8400 -11.8400 -7.4095 -7.4095 -7.4014 -7.4014 -7.3762 -7.3762 -7.3702 -7.3702 -7.3518 -7.3518 -7.3315 -7.3315 -4.9304 -4.9304 -4.9079 -4.9079 -4.8503 -4.8503 -4.8383 -4.8383 -4.8125 -4.8125 -4.8022 -4.8022 -4.7887 -4.7887 -4.7071 -4.7071 -4.6994 -4.6994 1.8932 1.8932 2.4596 2.4596 3.0757 3.0757 7.2203 7.2203 7.5669 7.5669 7.9720 7.9720 8.8245 8.8245 12.8081 12.8081 12.9037 12.9037 13.5923 13.5923 13.7045 13.7045 13.9845 13.9845 k = 0.3043 0.5000 0.3043 ( 4324 PWs) bands (ev): -30.9379 -30.9379 -12.2169 -12.2169 -11.8422 -11.8422 -11.8400 -11.8400 -7.4092 -7.4092 -7.4003 -7.4003 -7.3763 -7.3763 -7.3697 -7.3697 -7.3521 -7.3521 -7.3320 -7.3320 -4.9287 -4.9287 -4.9054 -4.9054 -4.8518 -4.8518 -4.8377 -4.8377 -4.8127 -4.8127 -4.8026 -4.8026 -4.7862 -4.7862 -4.7102 -4.7102 -4.7017 -4.7017 1.8272 1.8272 2.4310 2.4310 3.1183 3.1183 7.2774 7.2774 7.6099 7.6099 8.0323 8.0323 8.9636 8.9636 12.6435 12.6435 12.8900 12.8900 13.6071 13.6071 13.6636 13.6636 13.9763 13.9763 k = 0.2935 0.5000 0.2935 ( 4300 PWs) bands (ev): -30.9379 -30.9379 -12.2168 -12.2168 -11.8423 -11.8423 -11.8398 -11.8398 -7.4090 -7.4090 -7.3992 -7.3992 -7.3763 -7.3763 -7.3692 -7.3692 -7.3523 -7.3523 -7.3325 -7.3325 -4.9270 -4.9270 -4.9030 -4.9030 -4.8533 -4.8533 -4.8371 -4.8371 -4.8127 -4.8127 -4.8030 -4.8030 -4.7834 -4.7834 -4.7133 -4.7133 -4.7040 -4.7040 1.7623 1.7623 2.4015 2.4015 3.1630 3.1630 7.3349 7.3349 7.6565 7.6565 8.0933 8.0933 9.1101 9.1101 12.4700 12.4700 12.8609 12.8609 13.5637 13.5637 13.6886 13.6886 13.9720 13.9720 k = 0.2826 0.5000 0.2826 ( 4304 PWs) bands (ev): -30.9379 -30.9379 -12.2168 -12.2168 -11.8424 -11.8424 -11.8397 -11.8397 -7.4088 -7.4088 -7.3981 -7.3981 -7.3764 -7.3764 -7.3688 -7.3688 -7.3526 -7.3526 -7.3331 -7.3331 -4.9253 -4.9253 -4.9007 -4.9007 -4.8550 -4.8550 -4.8365 -4.8365 -4.8128 -4.8128 -4.8035 -4.8035 -4.7805 -4.7805 -4.7164 -4.7164 -4.7062 -4.7062 1.6986 1.6986 2.3713 2.3713 3.2100 3.2100 7.3929 7.3929 7.7066 7.7066 8.1555 8.1555 9.2627 9.2627 12.2927 12.2927 12.8182 12.8182 13.4942 13.4942 13.7366 13.7366 13.9747 13.9747 k = 0.2717 0.5000 0.2717 ( 4312 PWs) bands (ev): -30.9379 -30.9379 -12.2168 -12.2168 -11.8425 -11.8425 -11.8395 -11.8395 -7.4086 -7.4086 -7.3970 -7.3970 -7.3765 -7.3765 -7.3685 -7.3685 -7.3528 -7.3528 -7.3338 -7.3338 -4.9237 -4.9237 -4.8985 -4.8985 -4.8566 -4.8566 -4.8359 -4.8359 -4.8128 -4.8128 -4.8040 -4.8040 -4.7774 -4.7774 -4.7196 -4.7196 -4.7083 -4.7083 1.6364 1.6364 2.3406 2.3406 3.2590 3.2590 7.4514 7.4514 7.7605 7.7605 8.2193 8.2193 9.4201 9.4201 12.1132 12.1132 12.7661 12.7661 13.4163 13.4163 13.7777 13.7777 13.9886 13.9886 k = 0.2609 0.5000 0.2609 ( 4304 PWs) bands (ev): -30.9379 -30.9379 -12.2167 -12.2167 -11.8426 -11.8426 -11.8393 -11.8393 -7.4084 -7.4084 -7.3959 -7.3959 -7.3766 -7.3766 -7.3681 -7.3681 -7.3529 -7.3529 -7.3344 -7.3344 -4.9222 -4.9222 -4.8965 -4.8965 -4.8582 -4.8582 -4.8352 -4.8352 -4.8129 -4.8129 -4.8045 -4.8045 -4.7742 -4.7742 -4.7227 -4.7227 -4.7103 -4.7103 1.5758 1.5758 2.3094 2.3094 3.3100 3.3100 7.5106 7.5106 7.8179 7.8179 8.2847 8.2847 9.5811 9.5811 11.9327 11.9327 12.7080 12.7080 13.3324 13.3324 13.8015 13.8015 14.0135 14.0135 k = 0.2500 0.5000 0.2500 ( 4296 PWs) bands (ev): -30.9379 -30.9379 -12.2167 -12.2167 -11.8426 -11.8426 -11.8392 -11.8392 -7.4084 -7.4084 -7.3948 -7.3948 -7.3767 -7.3767 -7.3679 -7.3679 -7.3530 -7.3530 -7.3351 -7.3351 -4.9208 -4.9208 -4.8949 -4.8949 -4.8595 -4.8595 -4.8345 -4.8345 -4.8129 -4.8129 -4.8051 -4.8051 -4.7708 -4.7708 -4.7258 -4.7258 -4.7121 -4.7121 1.5170 1.5170 2.2781 2.2781 3.3630 3.3630 7.5703 7.5703 7.8791 7.8791 8.3522 8.3522 9.7446 9.7446 11.7524 11.7524 12.6460 12.6460 13.2433 13.2433 13.8091 13.8091 14.0387 14.0387 k = 0.2391 0.5000 0.2391 ( 4304 PWs) bands (ev): -30.9380 -30.9380 -12.2166 -12.2166 -11.8427 -11.8427 -11.8390 -11.8390 -7.4083 -7.4083 -7.3937 -7.3937 -7.3768 -7.3768 -7.3676 -7.3676 -7.3530 -7.3530 -7.3358 -7.3358 -4.9195 -4.9195 -4.8935 -4.8935 -4.8607 -4.8607 -4.8338 -4.8338 -4.8130 -4.8130 -4.8056 -4.8056 -4.7674 -4.7674 -4.7290 -4.7290 -4.7137 -4.7137 1.4601 1.4601 2.2466 2.2466 3.4177 3.4177 7.6304 7.6304 7.9438 7.9438 8.4217 8.4217 9.9094 9.9094 11.5731 11.5731 12.5815 12.5815 13.1498 13.1498 13.8066 13.8066 14.0499 14.0499 k = 0.2283 0.5000 0.2283 ( 4298 PWs) bands (ev): -30.9380 -30.9380 -12.2166 -12.2166 -11.8428 -11.8428 -11.8388 -11.8388 -7.4083 -7.4083 -7.3926 -7.3926 -7.3770 -7.3770 -7.3675 -7.3675 -7.3530 -7.3530 -7.3366 -7.3366 -4.9182 -4.9182 -4.8926 -4.8926 -4.8615 -4.8615 -4.8331 -4.8331 -4.8132 -4.8132 -4.8061 -4.8061 -4.7640 -4.7640 -4.7321 -4.7321 -4.7151 -4.7151 1.4053 1.4053 2.2153 2.2153 3.4742 3.4742 7.6909 7.6909 8.0122 8.0122 8.4935 8.4935 10.0740 10.0740 11.3958 11.3958 12.5157 12.5157 13.0530 13.0530 13.7982 13.7982 14.0390 14.0390 k = 0.2174 0.5000 0.2174 ( 4302 PWs) bands (ev): -30.9380 -30.9380 -12.2165 -12.2165 -11.8428 -11.8428 -11.8386 -11.8386 -7.4084 -7.4084 -7.3915 -7.3915 -7.3771 -7.3771 -7.3674 -7.3674 -7.3530 -7.3530 -7.3373 -7.3373 -4.9172 -4.9172 -4.8922 -4.8922 -4.8618 -4.8618 -4.8323 -4.8323 -4.8134 -4.8134 -4.8065 -4.8065 -4.7606 -4.7606 -4.7352 -4.7352 -4.7162 -4.7162 1.3526 1.3526 2.1842 2.1842 3.5321 3.5321 7.7514 7.7514 8.0842 8.0842 8.5675 8.5675 10.2371 10.2371 11.2212 11.2212 12.4492 12.4492 12.9535 12.9535 13.7863 13.7863 14.0055 14.0055 k = 0.2065 0.5000 0.2065 ( 4302 PWs) bands (ev): -30.9380 -30.9380 -12.2164 -12.2164 -11.8429 -11.8429 -11.8384 -11.8384 -7.4085 -7.4085 -7.3904 -7.3904 -7.3771 -7.3771 -7.3673 -7.3673 -7.3529 -7.3529 -7.3381 -7.3381 -4.9162 -4.9162 -4.8923 -4.8923 -4.8618 -4.8618 -4.8316 -4.8316 -4.8137 -4.8137 -4.8069 -4.8069 -4.7572 -4.7572 -4.7383 -4.7383 -4.7171 -4.7171 1.3021 1.3021 2.1535 2.1535 3.5915 3.5915 7.8116 7.8116 8.1597 8.1597 8.6438 8.6438 10.3966 10.3966 11.0502 11.0502 12.3829 12.3829 12.8523 12.8523 13.7715 13.7715 13.9530 13.9530 k = 0.1957 0.5000 0.1957 ( 4306 PWs) bands (ev): -30.9380 -30.9380 -12.2164 -12.2164 -11.8429 -11.8429 -11.8382 -11.8382 -7.4087 -7.4087 -7.3894 -7.3894 -7.3772 -7.3772 -7.3672 -7.3672 -7.3528 -7.3528 -7.3389 -7.3389 -4.9154 -4.9154 -4.8929 -4.8929 -4.8612 -4.8612 -4.8309 -4.8309 -4.8142 -4.8142 -4.8072 -4.8072 -4.7541 -4.7541 -4.7413 -4.7413 -4.7176 -4.7176 1.2540 1.2540 2.1234 2.1234 3.6519 3.6519 7.8713 7.8713 8.2385 8.2385 8.7224 8.7224 10.5503 10.5503 10.8837 10.8837 12.3175 12.3175 12.7503 12.7503 13.7526 13.7526 13.8884 13.8884 k = 0.1848 0.5000 0.1848 ( 4302 PWs) bands (ev): -30.9380 -30.9380 -12.2163 -12.2163 -11.8430 -11.8430 -11.8380 -11.8380 -7.4089 -7.4089 -7.3883 -7.3883 -7.3772 -7.3772 -7.3672 -7.3672 -7.3528 -7.3528 -7.3397 -7.3397 -4.9147 -4.9147 -4.8938 -4.8938 -4.8603 -4.8603 -4.8301 -4.8301 -4.8147 -4.8147 -4.8074 -4.8074 -4.7513 -4.7513 -4.7441 -4.7441 -4.7177 -4.7177 1.2082 1.2082 2.0940 2.0940 3.7133 3.7133 7.9300 7.9300 8.3207 8.3207 8.8032 8.8032 10.6907 10.6907 10.7271 10.7271 12.2544 12.2544 12.6483 12.6483 13.7246 13.7246 13.8233 13.8233 k = 0.1739 0.5000 0.1739 ( 4314 PWs) bands (ev): -30.9380 -30.9380 -12.2163 -12.2163 -11.8430 -11.8430 -11.8378 -11.8378 -7.4092 -7.4092 -7.3873 -7.3873 -7.3772 -7.3772 -7.3672 -7.3672 -7.3527 -7.3527 -7.3405 -7.3405 -4.9142 -4.9142 -4.8950 -4.8950 -4.8592 -4.8592 -4.8294 -4.8294 -4.8154 -4.8154 -4.8075 -4.8075 -4.7497 -4.7497 -4.7460 -4.7460 -4.7174 -4.7174 1.1648 1.1648 2.0654 2.0654 3.7754 3.7754 7.9872 7.9872 8.4060 8.4060 8.8862 8.8862 10.5654 10.5654 10.8299 10.8299 12.1951 12.1951 12.5471 12.5471 13.6761 13.6761 13.7745 13.7745 k = 0.1630 0.5000 0.1630 ( 4314 PWs) bands (ev): -30.9380 -30.9380 -12.2162 -12.2162 -11.8431 -11.8431 -11.8376 -11.8376 -7.4095 -7.4095 -7.3863 -7.3863 -7.3772 -7.3772 -7.3672 -7.3672 -7.3527 -7.3527 -7.3413 -7.3413 -4.9139 -4.9139 -4.8964 -4.8964 -4.8578 -4.8578 -4.8287 -4.8287 -4.8161 -4.8161 -4.8076 -4.8076 -4.7511 -4.7511 -4.7450 -4.7450 -4.7167 -4.7167 1.1239 1.1239 2.0379 2.0379 3.8378 3.8378 8.0424 8.0424 8.4942 8.4942 8.9712 8.9712 10.4172 10.4172 10.9452 10.9452 12.1423 12.1423 12.4477 12.4477 13.6087 13.6087 13.7451 13.7451 k = 0.1522 0.5000 0.1522 ( 4296 PWs) bands (ev): -30.9380 -30.9380 -12.2161 -12.2161 -11.8431 -11.8431 -11.8373 -11.8373 -7.4099 -7.4099 -7.3853 -7.3853 -7.3771 -7.3771 -7.3672 -7.3672 -7.3528 -7.3528 -7.3420 -7.3420 -4.9137 -4.9137 -4.8978 -4.8978 -4.8563 -4.8563 -4.8281 -4.8281 -4.8168 -4.8168 -4.8077 -4.8077 -4.7536 -4.7536 -4.7432 -4.7432 -4.7155 -4.7155 1.0855 1.0855 2.0115 2.0115 3.9001 3.9001 8.0948 8.0948 8.5852 8.5852 9.0580 9.0580 10.2769 10.2769 11.0374 11.0374 12.0989 12.0989 12.3511 12.3511 13.5369 13.5369 13.7236 13.7236 k = 0.1413 0.5000 0.1413 ( 4292 PWs) bands (ev): -30.9381 -30.9381 -12.2160 -12.2160 -11.8431 -11.8431 -11.8371 -11.8371 -7.4104 -7.4104 -7.3844 -7.3844 -7.3769 -7.3769 -7.3672 -7.3672 -7.3529 -7.3529 -7.3427 -7.3427 -4.9138 -4.9138 -4.8991 -4.8991 -4.8546 -4.8546 -4.8275 -4.8275 -4.8176 -4.8176 -4.8078 -4.8078 -4.7562 -4.7562 -4.7416 -4.7416 -4.7140 -4.7140 1.0497 1.0497 1.9864 1.9864 3.9621 3.9621 8.1437 8.1437 8.6787 8.6787 9.1464 9.1464 10.1458 10.1458 11.0997 11.0997 12.0673 12.0673 12.2591 12.2591 13.4694 13.4694 13.7043 13.7043 k = 0.1304 0.5000 0.1304 ( 4288 PWs) bands (ev): -30.9381 -30.9381 -12.2159 -12.2159 -11.8431 -11.8431 -11.8368 -11.8368 -7.4108 -7.4108 -7.3835 -7.3835 -7.3767 -7.3767 -7.3672 -7.3672 -7.3532 -7.3532 -7.3433 -7.3433 -4.9140 -4.9140 -4.9004 -4.9004 -4.8530 -4.8530 -4.8269 -4.8269 -4.8184 -4.8184 -4.8079 -4.8079 -4.7587 -4.7587 -4.7402 -4.7402 -4.7122 -4.7122 1.0164 1.0164 1.9626 1.9626 4.0233 4.0233 8.1882 8.1882 8.7744 8.7744 9.2357 9.2357 10.0255 10.0255 11.1276 11.1276 12.0437 12.0437 12.1772 12.1772 13.4104 13.4104 13.6851 13.6851 k = 0.1196 0.5000 0.1196 ( 4290 PWs) bands (ev): -30.9381 -30.9381 -12.2158 -12.2158 -11.8431 -11.8431 -11.8366 -11.8366 -7.4113 -7.4113 -7.3827 -7.3827 -7.3765 -7.3765 -7.3672 -7.3672 -7.3536 -7.3536 -7.3438 -7.3438 -4.9144 -4.9144 -4.9015 -4.9015 -4.8513 -4.8513 -4.8264 -4.8264 -4.8192 -4.8192 -4.8080 -4.8080 -4.7611 -4.7611 -4.7391 -4.7391 -4.7101 -4.7101 0.9858 0.9858 1.9404 1.9404 4.0832 4.0832 8.2274 8.2274 8.8717 8.8717 9.3252 9.3252 9.9180 9.9180 11.1209 11.1209 12.0072 12.0072 12.1242 12.1242 13.3628 13.3628 13.6648 13.6648 k = 0.1087 0.5000 0.1087 ( 4290 PWs) bands (ev): -30.9381 -30.9381 -12.2157 -12.2157 -11.8432 -11.8432 -11.8365 -11.8365 -7.4118 -7.4118 -7.3819 -7.3819 -7.3761 -7.3761 -7.3671 -7.3671 -7.3541 -7.3541 -7.3442 -7.3442 -4.9150 -4.9150 -4.9024 -4.9024 -4.8496 -4.8496 -4.8259 -4.8259 -4.8199 -4.8199 -4.8081 -4.8081 -4.7634 -4.7634 -4.7382 -4.7382 -4.7080 -4.7080 0.9577 0.9577 1.9197 1.9197 4.1411 4.1411 8.2604 8.2604 8.9702 8.9702 9.4131 9.4131 9.8259 9.8259 11.0842 11.0842 11.9398 11.9398 12.1115 12.1115 13.3284 13.3284 13.6425 13.6425 k = 0.0978 0.5000 0.0978 ( 4282 PWs) bands (ev): -30.9381 -30.9381 -12.2157 -12.2157 -11.8432 -11.8432 -11.8362 -11.8362 -7.4123 -7.4123 -7.3813 -7.3813 -7.3757 -7.3757 -7.3671 -7.3671 -7.3547 -7.3547 -7.3446 -7.3446 -4.9157 -4.9157 -4.9031 -4.9031 -4.8479 -4.8479 -4.8255 -4.8255 -4.8206 -4.8206 -4.8083 -4.8083 -4.7655 -4.7655 -4.7375 -4.7375 -4.7058 -4.7058 0.9323 0.9323 1.9008 1.9008 4.1966 4.1966 8.2863 8.2863 9.0687 9.0687 9.4948 9.4948 9.7553 9.7553 11.0243 11.0243 11.8588 11.8588 12.1140 12.1140 13.3076 13.3076 13.6176 13.6176 k = 0.0870 0.5000 0.0870 ( 4284 PWs) bands (ev): -30.9381 -30.9381 -12.2156 -12.2156 -11.8432 -11.8432 -11.8361 -11.8361 -7.4128 -7.4128 -7.3807 -7.3807 -7.3752 -7.3752 -7.3670 -7.3670 -7.3553 -7.3553 -7.3448 -7.3448 -4.9165 -4.9165 -4.9037 -4.9037 -4.8463 -4.8463 -4.8251 -4.8251 -4.8213 -4.8213 -4.8086 -4.8086 -4.7674 -4.7674 -4.7369 -4.7369 -4.7038 -4.7038 0.9095 0.9095 1.8835 1.8835 4.2490 4.2490 8.3047 8.3047 9.1654 9.1654 9.5549 9.5549 9.7233 9.7233 10.9477 10.9477 11.7750 11.7750 12.1158 12.1158 13.2993 13.2993 13.5896 13.5896 k = 0.0761 0.5000 0.0761 ( 4280 PWs) bands (ev): -30.9381 -30.9381 -12.2155 -12.2155 -11.8432 -11.8432 -11.8359 -11.8359 -7.4132 -7.4132 -7.3802 -7.3802 -7.3747 -7.3747 -7.3669 -7.3669 -7.3561 -7.3561 -7.3450 -7.3450 -4.9173 -4.9173 -4.9042 -4.9042 -4.8447 -4.8447 -4.8248 -4.8248 -4.8219 -4.8219 -4.8089 -4.8089 -4.7691 -4.7691 -4.7363 -4.7363 -4.7018 -4.7018 0.8894 0.8894 1.8682 1.8682 4.2975 4.2975 8.3157 8.3157 9.2555 9.2555 9.5713 9.5713 9.7552 9.7552 10.8594 10.8594 11.6919 11.6919 12.1119 12.1119 13.3006 13.3006 13.5590 13.5590 k = 0.0652 0.5000 0.0652 ( 4288 PWs) bands (ev): -30.9381 -30.9381 -12.2155 -12.2155 -11.8432 -11.8432 -11.8358 -11.8358 -7.4136 -7.4136 -7.3797 -7.3797 -7.3742 -7.3742 -7.3668 -7.3668 -7.3569 -7.3569 -7.3452 -7.3452 -4.9181 -4.9181 -4.9045 -4.9045 -4.8432 -4.8432 -4.8246 -4.8246 -4.8225 -4.8225 -4.8093 -4.8093 -4.7705 -4.7705 -4.7359 -4.7359 -4.7000 -4.7000 0.8720 0.8720 1.8547 1.8547 4.3416 4.3416 8.3197 8.3197 9.3285 9.3285 9.5791 9.5791 9.8246 9.8246 10.7630 10.7630 11.6110 11.6110 12.1020 12.1020 13.3083 13.3083 13.5270 13.5270 k = 0.0543 0.5000 0.0543 ( 4288 PWs) bands (ev): -30.9381 -30.9381 -12.2154 -12.2154 -11.8432 -11.8432 -11.8356 -11.8356 -7.4140 -7.4140 -7.3794 -7.3794 -7.3737 -7.3737 -7.3665 -7.3665 -7.3578 -7.3578 -7.3453 -7.3453 -4.9189 -4.9189 -4.9048 -4.9048 -4.8419 -4.8419 -4.8244 -4.8244 -4.8229 -4.8229 -4.8097 -4.8097 -4.7718 -4.7718 -4.7355 -4.7355 -4.6984 -4.6984 0.8572 0.8572 1.8433 1.8433 4.3804 4.3804 8.3182 8.3182 9.3697 9.3697 9.6201 9.6201 9.9011 9.9011 10.6609 10.6609 11.5340 11.5340 12.0879 12.0879 13.3189 13.3189 13.4958 13.4958 k = 0.0435 0.5000 0.0435 ( 4290 PWs) bands (ev): -30.9381 -30.9381 -12.2154 -12.2154 -11.8432 -11.8432 -11.8356 -11.8356 -7.4143 -7.4143 -7.3791 -7.3791 -7.3732 -7.3732 -7.3663 -7.3663 -7.3586 -7.3586 -7.3453 -7.3453 -4.9195 -4.9195 -4.9050 -4.9050 -4.8407 -4.8407 -4.8243 -4.8243 -4.8233 -4.8233 -4.8100 -4.8100 -4.7728 -4.7728 -4.7352 -4.7352 -4.6971 -4.6971 0.8451 0.8451 1.8338 1.8338 4.4133 4.4133 8.3130 8.3130 9.3825 9.3825 9.6967 9.6967 9.9743 9.9743 10.5551 10.5551 11.4632 11.4632 12.0720 12.0720 13.3296 13.3296 13.4674 13.4674 k = 0.0326 0.5000 0.0326 ( 4286 PWs) bands (ev): -30.9381 -30.9381 -12.2154 -12.2154 -11.8432 -11.8432 -11.8355 -11.8355 -7.4145 -7.4145 -7.3789 -7.3789 -7.3728 -7.3728 -7.3660 -7.3660 -7.3594 -7.3594 -7.3454 -7.3454 -4.9200 -4.9200 -4.9052 -4.9052 -4.8397 -4.8397 -4.8242 -4.8242 -4.8236 -4.8236 -4.8104 -4.8104 -4.7736 -4.7736 -4.7350 -4.7350 -4.6960 -4.6960 0.8357 0.8357 1.8264 1.8264 4.4396 4.4396 8.3062 8.3062 9.3837 9.3837 9.7921 9.7921 10.0389 10.0389 10.4468 10.4468 11.4017 11.4017 12.0570 12.0570 13.3389 13.3389 13.4437 13.4437 k = 0.0217 0.5000 0.0217 ( 4288 PWs) bands (ev): -30.9381 -30.9381 -12.2154 -12.2154 -11.8432 -11.8432 -11.8354 -11.8354 -7.4147 -7.4147 -7.3788 -7.3788 -7.3725 -7.3725 -7.3656 -7.3656 -7.3601 -7.3601 -7.3454 -7.3454 -4.9204 -4.9204 -4.9053 -4.9053 -4.8389 -4.8389 -4.8242 -4.8242 -4.8238 -4.8238 -4.8107 -4.8107 -4.7742 -4.7742 -4.7348 -4.7348 -4.6953 -4.6953 0.8290 0.8290 1.8211 1.8211 4.4589 4.4589 8.2997 8.2997 9.3823 9.3823 9.8957 9.8957 10.0899 10.0899 10.3372 10.3372 11.3531 11.3531 12.0448 12.0448 13.3457 13.3457 13.4261 13.4261 k = 0.0109 0.5000 0.0109 ( 4292 PWs) bands (ev): -30.9381 -30.9381 -12.2154 -12.2154 -11.8433 -11.8433 -11.8354 -11.8354 -7.4148 -7.4148 -7.3787 -7.3787 -7.3723 -7.3723 -7.3654 -7.3654 -7.3606 -7.3606 -7.3454 -7.3454 -4.9207 -4.9207 -4.9054 -4.9054 -4.8385 -4.8385 -4.8242 -4.8242 -4.8239 -4.8239 -4.8108 -4.8108 -4.7746 -4.7746 -4.7347 -4.7347 -4.6948 -4.6948 0.8250 0.8250 1.8179 1.8179 4.4706 4.4706 8.2951 8.2951 9.3810 9.3810 10.0025 10.0025 10.1228 10.1228 10.2277 10.2277 11.3217 11.3217 12.0368 12.0368 13.3496 13.3496 13.4154 13.4154 k = 0.0000 0.5000-0.0000 ( 4292 PWs) bands (ev): -30.9381 -30.9381 -12.2153 -12.2153 -11.8433 -11.8433 -11.8354 -11.8354 -7.4149 -7.4149 -7.3787 -7.3787 -7.3722 -7.3722 -7.3652 -7.3652 -7.3608 -7.3608 -7.3454 -7.3454 -4.9207 -4.9207 -4.9054 -4.9054 -4.8383 -4.8383 -4.8243 -4.8243 -4.8240 -4.8240 -4.8109 -4.8109 -4.7747 -4.7747 -4.7346 -4.7346 -4.6947 -4.6947 0.8236 0.8236 1.8169 1.8169 4.4745 4.4745 8.2935 8.2935 9.3806 9.3806 10.0935 10.0935 10.1264 10.1264 10.1437 10.1437 11.3108 11.3108 12.0341 12.0341 13.3509 13.3509 13.4118 13.4118 k = 0.5000 0.5000-0.0000 ( 4324 PWs) bands (ev): -30.9379 -30.9379 -12.2174 -12.2174 -11.8442 -11.8442 -11.8393 -11.8393 -7.4022 -7.4022 -7.3891 -7.3891 -7.3806 -7.3806 -7.3609 -7.3609 -7.3565 -7.3565 -7.3371 -7.3371 -4.8961 -4.8961 -4.8782 -4.8782 -4.8303 -4.8303 -4.8256 -4.8256 -4.8241 -4.8241 -4.8128 -4.8128 -4.7967 -4.7967 -4.7457 -4.7457 -4.7321 -4.7321 2.0380 2.0380 2.3525 2.3525 2.3909 2.3909 6.7714 6.7714 9.4732 9.4732 10.2326 10.2326 10.2981 10.2981 10.5163 10.5163 11.4734 11.4734 11.6973 11.6973 13.3505 13.3505 13.5052 13.5052 k = 0.5000 0.5000 0.0152 ( 4316 PWs) bands (ev): -30.9379 -30.9379 -12.2174 -12.2174 -11.8442 -11.8442 -11.8393 -11.8393 -7.4023 -7.4023 -7.3892 -7.3892 -7.3805 -7.3805 -7.3609 -7.3609 -7.3565 -7.3565 -7.3371 -7.3371 -4.8963 -4.8963 -4.8784 -4.8784 -4.8306 -4.8306 -4.8256 -4.8256 -4.8237 -4.8237 -4.8128 -4.8128 -4.7967 -4.7967 -4.7455 -4.7455 -4.7320 -4.7320 2.0392 2.0392 2.3532 2.3532 2.3915 2.3915 6.7726 6.7726 9.4584 9.4584 10.1584 10.1584 10.2791 10.2791 10.5927 10.5927 11.4938 11.4938 11.7137 11.7137 13.3502 13.3502 13.5063 13.5063 k = 0.5000 0.5000 0.0303 ( 4308 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8441 -11.8441 -11.8393 -11.8393 -7.4023 -7.4023 -7.3895 -7.3895 -7.3803 -7.3803 -7.3611 -7.3611 -7.3564 -7.3564 -7.3369 -7.3369 -4.8968 -4.8968 -4.8789 -4.8789 -4.8314 -4.8314 -4.8258 -4.8258 -4.8228 -4.8228 -4.8127 -4.8127 -4.7969 -4.7969 -4.7447 -4.7447 -4.7315 -4.7315 2.0428 2.0428 2.3553 2.3553 2.3935 2.3935 6.7762 6.7762 9.4152 9.4152 10.0215 10.0215 10.2257 10.2257 10.7363 10.7363 11.5513 11.5513 11.7618 11.7618 13.3489 13.3489 13.5095 13.5095 k = 0.5000 0.5000 0.0455 ( 4300 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8441 -11.8441 -11.8393 -11.8393 -7.4024 -7.4024 -7.3901 -7.3901 -7.3800 -7.3800 -7.3613 -7.3613 -7.3563 -7.3563 -7.3367 -7.3367 -4.8977 -4.8977 -4.8798 -4.8798 -4.8325 -4.8325 -4.8261 -4.8261 -4.8216 -4.8216 -4.8125 -4.8125 -4.7971 -4.7971 -4.7434 -4.7434 -4.7308 -4.7308 2.0487 2.0487 2.3587 2.3587 2.3968 2.3968 6.7821 6.7821 9.3466 9.3466 9.8741 9.8741 10.1460 10.1460 10.8949 10.8949 11.6376 11.6376 11.8384 11.8384 13.3467 13.3467 13.5151 13.5151 k = 0.5000 0.5000 0.0606 ( 4296 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8440 -11.8440 -11.8393 -11.8393 -7.4026 -7.4026 -7.3908 -7.3908 -7.3796 -7.3796 -7.3617 -7.3617 -7.3561 -7.3561 -7.3365 -7.3365 -4.8989 -4.8989 -4.8809 -4.8809 -4.8335 -4.8335 -4.8265 -4.8265 -4.8203 -4.8203 -4.8123 -4.8123 -4.7974 -4.7974 -4.7418 -4.7418 -4.7297 -4.7297 2.0570 2.0570 2.3635 2.3635 2.4014 2.4014 6.7904 6.7904 9.2567 9.2567 9.7265 9.7265 10.0488 10.0488 11.0582 11.0582 11.7441 11.7441 11.9394 11.9394 13.3434 13.3434 13.5227 13.5227 k = 0.5000 0.5000 0.0758 ( 4288 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8439 -11.8439 -11.8393 -11.8393 -7.4028 -7.4028 -7.3916 -7.3916 -7.3792 -7.3792 -7.3621 -7.3621 -7.3559 -7.3559 -7.3361 -7.3361 -4.9003 -4.9003 -4.8824 -4.8824 -4.8345 -4.8345 -4.8270 -4.8270 -4.8190 -4.8190 -4.8120 -4.8120 -4.7977 -4.7977 -4.7397 -4.7397 -4.7284 -4.7284 2.0676 2.0676 2.3697 2.3697 2.4073 2.4073 6.8009 6.8009 9.1497 9.1497 9.5816 9.5816 9.9404 9.9404 11.2232 11.2232 11.8641 11.8641 12.0604 12.0604 13.3386 13.3386 13.5326 13.5326 k = 0.5000 0.5000 0.0909 ( 4288 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8439 -11.8439 -11.8394 -11.8394 -7.4030 -7.4030 -7.3925 -7.3925 -7.3788 -7.3788 -7.3627 -7.3627 -7.3557 -7.3557 -7.3358 -7.3358 -4.9021 -4.9021 -4.8841 -4.8841 -4.8355 -4.8355 -4.8276 -4.8276 -4.8178 -4.8178 -4.8116 -4.8116 -4.7981 -4.7981 -4.7373 -4.7373 -4.7269 -4.7269 2.0805 2.0805 2.3771 2.3771 2.4144 2.4144 6.8136 6.8136 9.0297 9.0297 9.4402 9.4402 9.8256 9.8256 11.3885 11.3885 11.9929 11.9929 12.1975 12.1975 13.3320 13.3320 13.5447 13.5447 k = 0.5000 0.5000 0.1061 ( 4304 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8438 -11.8438 -11.8395 -11.8395 -7.4033 -7.4033 -7.3935 -7.3935 -7.3784 -7.3784 -7.3632 -7.3632 -7.3554 -7.3554 -7.3354 -7.3354 -4.9041 -4.9041 -4.8861 -4.8861 -4.8364 -4.8364 -4.8283 -4.8283 -4.8165 -4.8165 -4.8112 -4.8112 -4.7984 -4.7984 -4.7347 -4.7347 -4.7251 -4.7251 2.0956 2.0956 2.3858 2.3858 2.4226 2.4226 6.8284 6.8284 8.9005 8.9005 9.3026 9.3026 9.7073 9.7073 11.5534 11.5534 12.1272 12.1272 12.3473 12.3473 13.3231 13.3231 13.5591 13.5591 k = 0.5000 0.5000 0.1212 ( 4304 PWs) bands (ev): -30.9379 -30.9379 -12.2173 -12.2173 -11.8437 -11.8437 -11.8395 -11.8395 -7.4037 -7.4037 -7.3945 -7.3945 -7.3781 -7.3781 -7.3639 -7.3639 -7.3551 -7.3551 -7.3349 -7.3349 -4.9062 -4.9062 -4.8882 -4.8882 -4.8373 -4.8373 -4.8291 -4.8291 -4.8154 -4.8154 -4.8108 -4.8108 -4.7988 -4.7988 -4.7318 -4.7318 -4.7230 -4.7230 2.1128 2.1128 2.3957 2.3957 2.4320 2.4320 6.8452 6.8452 8.7649 8.7649 9.1686 9.1686 9.5875 9.5875 11.7173 11.7173 12.2648 12.2648 12.5068 12.5068 13.3114 13.3114 13.5761 13.5761 k = 0.5000 0.5000 0.1364 ( 4304 PWs) bands (ev): -30.9379 -30.9379 -12.2172 -12.2172 -11.8436 -11.8436 -11.8395 -11.8395 -7.4040 -7.4040 -7.3956 -7.3956 -7.3777 -7.3777 -7.3645 -7.3645 -7.3547 -7.3547 -7.3345 -7.3345 -4.9086 -4.9086 -4.8905 -4.8905 -4.8380 -4.8380 -4.8299 -4.8299 -4.8143 -4.8143 -4.8103 -4.8103 -4.7991 -4.7991 -4.7287 -4.7287 -4.7208 -4.7208 2.1322 2.1322 2.4067 2.4067 2.4425 2.4425 6.8640 6.8640 8.6256 8.6256 9.0381 9.0381 9.4678 9.4678 11.8799 11.8799 12.4037 12.4037 12.6734 12.6734 13.2960 13.2960 13.5958 13.5958 k = 0.5000 0.5000 0.1515 ( 4296 PWs) bands (ev): -30.9379 -30.9379 -12.2172 -12.2172 -11.8434 -11.8434 -11.8396 -11.8396 -7.4044 -7.4044 -7.3966 -7.3966 -7.3774 -7.3774 -7.3652 -7.3652 -7.3544 -7.3544 -7.3340 -7.3340 -4.9110 -4.9110 -4.8930 -4.8930 -4.8387 -4.8387 -4.8308 -4.8308 -4.8134 -4.8134 -4.8098 -4.8098 -4.7994 -4.7994 -4.7256 -4.7256 -4.7185 -4.7185 2.1535 2.1535 2.4189 2.4189 2.4540 2.4540 6.8844 6.8844 8.4845 8.4845 8.9109 8.9109 9.3492 9.3492 12.0406 12.0406 12.5427 12.5427 12.8446 12.8446 13.2761 13.2761 13.6188 13.6188 k = 0.5000 0.5000 0.1667 ( 4288 PWs) bands (ev): -30.9379 -30.9379 -12.2171 -12.2171 -11.8433 -11.8433 -11.8396 -11.8396 -7.4048 -7.4048 -7.3977 -7.3977 -7.3772 -7.3772 -7.3659 -7.3659 -7.3540 -7.3540 -7.3335 -7.3335 -4.9136 -4.9136 -4.8955 -4.8955 -4.8393 -4.8393 -4.8317 -4.8317 -4.8125 -4.8125 -4.8093 -4.8093 -4.7996 -4.7996 -4.7223 -4.7223 -4.7160 -4.7160 2.1766 2.1766 2.4320 2.4320 2.4664 2.4664 6.9065 6.9065 8.3430 8.3430 8.7870 8.7870 9.2325 9.2325 12.1993 12.1993 12.6805 12.6805 13.0175 13.0175 13.2509 13.2509 13.6461 13.6461 k = 0.5000 0.5000 0.1818 ( 4292 PWs) bands (ev): -30.9379 -30.9379 -12.2171 -12.2171 -11.8431 -11.8431 -11.8397 -11.8397 -7.4052 -7.4052 -7.3988 -7.3988 -7.3769 -7.3769 -7.3667 -7.3667 -7.3536 -7.3536 -7.3330 -7.3330 -4.9162 -4.9162 -4.8981 -4.8981 -4.8399 -4.8399 -4.8326 -4.8326 -4.8117 -4.8117 -4.8089 -4.8089 -4.7998 -4.7998 -4.7190 -4.7190 -4.7134 -4.7134 2.2016 2.2016 2.4460 2.4460 2.4797 2.4797 6.9300 6.9300 8.2024 8.2024 8.6665 8.6665 9.1183 9.1183 12.3554 12.3554 12.8155 12.8155 13.1879 13.1879 13.2197 13.2197 13.6801 13.6801 k = 0.5000 0.5000 0.1970 ( 4300 PWs) bands (ev): -30.9379 -30.9379 -12.2171 -12.2171 -11.8430 -11.8430 -11.8398 -11.8398 -7.4057 -7.4057 -7.3999 -7.3999 -7.3767 -7.3767 -7.3674 -7.3674 -7.3532 -7.3532 -7.3325 -7.3325 -4.9189 -4.9189 -4.9007 -4.9007 -4.8404 -4.8404 -4.8335 -4.8335 -4.8110 -4.8110 -4.8084 -4.8084 -4.7999 -4.7999 -4.7157 -4.7157 -4.7107 -4.7107 2.2281 2.2281 2.4608 2.4608 2.4937 2.4937 6.9548 6.9548 8.0634 8.0634 8.5494 8.5494 9.0072 9.0072 12.5086 12.5086 12.9457 12.9457 13.1831 13.1831 13.3484 13.3484 13.7260 13.7260 k = 0.5000 0.5000 0.2121 ( 4308 PWs) bands (ev): -30.9379 -30.9379 -12.2171 -12.2171 -11.8429 -11.8429 -11.8399 -11.8399 -7.4062 -7.4062 -7.4009 -7.4009 -7.3766 -7.3766 -7.3681 -7.3681 -7.3527 -7.3527 -7.3321 -7.3321 -4.9215 -4.9215 -4.9033 -4.9033 -4.8409 -4.8409 -4.8345 -4.8345 -4.8103 -4.8103 -4.8080 -4.8080 -4.8001 -4.8001 -4.7123 -4.7123 -4.7080 -4.7080 2.2562 2.2562 2.4764 2.4764 2.5083 2.5083 6.9804 6.9804 7.9269 7.9269 8.4360 8.4360 8.8997 8.8997 12.6584 12.6584 13.0581 13.0581 13.1527 13.1527 13.4853 13.4853 13.7941 13.7941 k = 0.5000 0.5000 0.2273 ( 4304 PWs) bands (ev): -30.9379 -30.9379 -12.2171 -12.2171 -11.8427 -11.8427 -11.8399 -11.8399 -7.4067 -7.4067 -7.4020 -7.4020 -7.3764 -7.3764 -7.3689 -7.3689 -7.3523 -7.3523 -7.3316 -7.3316 -4.9241 -4.9241 -4.9059 -4.9059 -4.8413 -4.8413 -4.8354 -4.8354 -4.8098 -4.8098 -4.8076 -4.8076 -4.8001 -4.8001 -4.7091 -4.7091 -4.7053 -4.7053 2.2855 2.2855 2.4925 2.4925 2.5235 2.5235 7.0069 7.0069 7.7934 7.7934 8.3264 8.3264 8.7962 8.7962 12.8044 12.8044 13.0608 13.0608 13.2195 13.2195 13.5843 13.5843 13.8928 13.8928 k = 0.5000 0.5000 0.2424 ( 4312 PWs) bands (ev): -30.9379 -30.9379 -12.2171 -12.2171 -11.8426 -11.8426 -11.8400 -11.8400 -7.4072 -7.4072 -7.4030 -7.4030 -7.3763 -7.3763 -7.3696 -7.3696 -7.3519 -7.3519 -7.3312 -7.3312 -4.9267 -4.9267 -4.9084 -4.9084 -4.8417 -4.8417 -4.8363 -4.8363 -4.8093 -4.8093 -4.8073 -4.8073 -4.8001 -4.8001 -4.7058 -4.7058 -4.7026 -4.7026 2.3160 2.3160 2.5092 2.5092 2.5391 2.5391 7.0337 7.0337 7.6634 7.6634 8.2209 8.2209 8.6970 8.6970 12.9459 12.9459 13.0047 13.0047 13.3324 13.3324 13.6494 13.6494 14.0046 14.0046 k = 0.5000 0.5000 0.2576 ( 4320 PWs) bands (ev): -30.9379 -30.9379 -12.2170 -12.2170 -11.8424 -11.8424 -11.8401 -11.8401 -7.4077 -7.4077 -7.4040 -7.4040 -7.3762 -7.3762 -7.3702 -7.3702 -7.3515 -7.3515 -7.3308 -7.3308 -4.9293 -4.9293 -4.9109 -4.9109 -4.8420 -4.8420 -4.8372 -4.8372 -4.8088 -4.8088 -4.8070 -4.8070 -4.8001 -4.8001 -4.7027 -4.7027 -4.6999 -4.6999 2.3473 2.3473 2.5261 2.5261 2.5550 2.5550 7.0606 7.0606 7.5375 7.5375 8.1196 8.1196 8.6026 8.6026 12.9380 12.9380 13.0826 13.0826 13.4436 13.4436 13.6963 13.6963 14.0921 14.0921 k = 0.5000 0.5000 0.2727 ( 4304 PWs) bands (ev): -30.9378 -30.9378 -12.2170 -12.2170 -11.8422 -11.8422 -11.8402 -11.8402 -7.4082 -7.4082 -7.4050 -7.4050 -7.3762 -7.3762 -7.3709 -7.3709 -7.3511 -7.3511 -7.3304 -7.3304 -4.9317 -4.9317 -4.9134 -4.9134 -4.8424 -4.8424 -4.8380 -4.8380 -4.8084 -4.8084 -4.8067 -4.8067 -4.8000 -4.8000 -4.6997 -4.6997 -4.6973 -4.6973 2.3793 2.3793 2.5433 2.5433 2.5710 2.5710 7.0873 7.0873 7.4160 7.4160 8.0229 8.0229 8.5134 8.5134 12.8657 12.8657 13.2137 13.2137 13.5490 13.5490 13.7350 13.7350 14.0999 14.0999 k = 0.5000 0.5000 0.2879 ( 4304 PWs) bands (ev): -30.9378 -30.9378 -12.2169 -12.2169 -11.8421 -11.8421 -11.8403 -11.8403 -7.4087 -7.4087 -7.4059 -7.4059 -7.3761 -7.3761 -7.3715 -7.3715 -7.3507 -7.3507 -7.3300 -7.3300 -4.9341 -4.9341 -4.9157 -4.9157 -4.8427 -4.8427 -4.8388 -4.8388 -4.8081 -4.8081 -4.8065 -4.8065 -4.7999 -4.7999 -4.6967 -4.6967 -4.6947 -4.6947 2.4117 2.4117 2.5605 2.5605 2.5870 2.5870 7.1134 7.1134 7.2994 7.2994 7.9309 7.9309 8.4297 8.4297 12.7901 12.7901 13.3387 13.3387 13.6474 13.6474 13.7697 13.7697 14.0756 14.0756 k = 0.5000 0.5000 0.3030 ( 4296 PWs) bands (ev): -30.9378 -30.9378 -12.2169 -12.2169 -11.8419 -11.8419 -11.8403 -11.8403 -7.4092 -7.4092 -7.4068 -7.4068 -7.3761 -7.3761 -7.3721 -7.3721 -7.3504 -7.3504 -7.3296 -7.3296 -4.9363 -4.9363 -4.9179 -4.9179 -4.8429 -4.8429 -4.8396 -4.8396 -4.8078 -4.8078 -4.8064 -4.8064 -4.7997 -4.7997 -4.6940 -4.6940 -4.6922 -4.6922 2.4442 2.4442 2.5776 2.5776 2.6028 2.6028 7.1384 7.1384 7.1881 7.1881 7.8439 7.8439 8.3518 8.3518 12.7130 12.7130 13.4570 13.4570 13.7382 13.7382 13.8025 13.8025 14.0579 14.0579 k = 0.5000 0.5000 0.3182 ( 4312 PWs) bands (ev): -30.9378 -30.9378 -12.2169 -12.2169 -11.8418 -11.8418 -11.8404 -11.8404 -7.4096 -7.4096 -7.4076 -7.4076 -7.3761 -7.3761 -7.3727 -7.3727 -7.3500 -7.3500 -7.3293 -7.3293 -4.9385 -4.9385 -4.9200 -4.9200 -4.8432 -4.8432 -4.8403 -4.8403 -4.8075 -4.8075 -4.8063 -4.8063 -4.7995 -4.7995 -4.6913 -4.6913 -4.6899 -4.6899 2.4765 2.4765 2.5944 2.5944 2.6184 2.6184 7.0825 7.0825 7.1620 7.1620 7.7620 7.7620 8.2803 8.2803 12.6361 12.6361 13.5675 13.5675 13.8207 13.8207 13.8342 13.8342 14.0454 14.0454 k = 0.5000 0.5000 0.3333 ( 4304 PWs) bands (ev): -30.9378 -30.9378 -12.2169 -12.2169 -11.8416 -11.8416 -11.8405 -11.8405 -7.4101 -7.4101 -7.4084 -7.4084 -7.3761 -7.3761 -7.3733 -7.3733 -7.3497 -7.3497 -7.3290 -7.3290 -4.9404 -4.9404 -4.9220 -4.9220 -4.8434 -4.8434 -4.8410 -4.8410 -4.8073 -4.8073 -4.8062 -4.8062 -4.7993 -4.7993 -4.6889 -4.6889 -4.6877 -4.6877 2.5083 2.5083 2.6109 2.6109 2.6335 2.6335 6.9830 6.9830 7.1836 7.1836 7.6857 7.6857 8.2153 8.2153 12.5607 12.5607 13.6696 13.6696 13.8656 13.8656 13.8948 13.8948 14.0376 14.0376 k = 0.5000 0.5000 0.3485 ( 4296 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8415 -11.8415 -11.8405 -11.8405 -7.4105 -7.4105 -7.4091 -7.4091 -7.3761 -7.3761 -7.3737 -7.3737 -7.3494 -7.3494 -7.3288 -7.3288 -4.9423 -4.9423 -4.9238 -4.9238 -4.8437 -4.8437 -4.8416 -4.8416 -4.8071 -4.8071 -4.8062 -4.8062 -4.7991 -4.7991 -4.6866 -4.6866 -4.6856 -4.6856 2.5391 2.5391 2.6267 2.6267 2.6479 2.6479 6.8901 6.8901 7.2029 7.2029 7.6150 7.6150 8.1571 8.1571 12.4882 12.4882 13.7612 13.7612 13.8982 13.8982 13.9589 13.9589 14.0350 14.0350 k = 0.5000 0.5000 0.3636 ( 4296 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8413 -11.8413 -11.8406 -11.8406 -7.4109 -7.4109 -7.4098 -7.4098 -7.3761 -7.3761 -7.3742 -7.3742 -7.3491 -7.3491 -7.3285 -7.3285 -4.9440 -4.9440 -4.9255 -4.9255 -4.8439 -4.8439 -4.8422 -4.8422 -4.8069 -4.8069 -4.8062 -4.8062 -4.7989 -4.7989 -4.6845 -4.6845 -4.6837 -4.6837 2.5686 2.5686 2.6418 2.6418 2.6616 2.6616 6.8042 6.8042 7.2196 7.2196 7.5502 7.5502 8.1060 8.1060 12.4195 12.4195 13.8387 13.8387 13.9351 13.9351 14.0040 14.0040 14.0457 14.0457 k = 0.5000 0.5000 0.3788 ( 4296 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8412 -11.8412 -11.8406 -11.8406 -7.4113 -7.4113 -7.4104 -7.4104 -7.3761 -7.3761 -7.3746 -7.3746 -7.3489 -7.3489 -7.3283 -7.3283 -4.9455 -4.9455 -4.9270 -4.9270 -4.8440 -4.8440 -4.8427 -4.8427 -4.8068 -4.8068 -4.8062 -4.8062 -4.7987 -4.7987 -4.6825 -4.6825 -4.6820 -4.6820 2.5964 2.5964 2.6560 2.6560 2.6744 2.6744 6.7257 6.7257 7.2334 7.2334 7.4916 7.4916 8.0621 8.0621 12.3556 12.3556 13.8956 13.8956 13.9821 13.9821 14.0163 14.0163 14.0834 14.0834 k = 0.5000 0.5000 0.3939 ( 4296 PWs) bands (ev): -30.9378 -30.9378 -12.2168 -12.2168 -11.8411 -11.8411 -11.8407 -11.8407 -7.4116 -7.4116 -7.4110 -7.4110 -7.3761 -7.3761 -7.3750 -7.3750 -7.3487 -7.3487 -7.3281 -7.3281 -4.9469 -4.9469 -4.9283 -4.9283 -4.8442 -4.8442 -4.8432 -4.8432 -4.8066 -4.8066 -4.8062 -4.8062 -4.7985 -4.7985 -4.6808 -4.6808 -4.6804 -4.6804 2.6219 2.6219 2.6693 2.6693 2.6860 2.6860 6.6551 6.6551 7.2443 7.2443 7.4393 7.4393 8.0252 8.0252 12.2974 12.2974 13.9329 13.9329 14.0189 14.0189 14.0378 14.0378 14.1249 14.1249 k = 0.5000 0.5000 0.4091 ( 4280 PWs) bands (ev): -30.9378 -30.9378 -12.2167 -12.2167 -11.8410 -11.8410 -11.8407 -11.8407 -7.4119 -7.4119 -7.4114 -7.4114 -7.3761 -7.3761 -7.3753 -7.3753 -7.3485 -7.3485 -7.3279 -7.3279 -4.9481 -4.9481 -4.9295 -4.9295 -4.8443 -4.8443 -4.8436 -4.8436 -4.8065 -4.8065 -4.8062 -4.8062 -4.7983 -4.7983 -4.6793 -4.6793 -4.6790 -4.6790 2.6446 2.6446 2.6816 2.6816 2.6965 2.6965 6.5928 6.5928 7.2524 7.2524 7.3935 7.3935 7.9950 7.9950 12.2455 12.2455 13.9596 13.9596 14.0204 14.0204 14.0930 14.0930 14.1614 14.1614 k = 0.5000 0.5000 0.4242 ( 4276 PWs) bands (ev): -30.9378 -30.9378 -12.2167 -12.2167 -11.8409 -11.8409 -11.8407 -11.8407 -7.4122 -7.4122 -7.4118 -7.4118 -7.3761 -7.3761 -7.3756 -7.3756 -7.3483 -7.3483 -7.3278 -7.3278 -4.9491 -4.9491 -4.9305 -4.9305 -4.8444 -4.8444 -4.8439 -4.8439 -4.8064 -4.8064 -4.8062 -4.8062 -4.7982 -4.7982 -4.6781 -4.6781 -4.6778 -4.6778 2.6640 2.6640 2.6929 2.6929 2.7055 2.7055 6.5393 6.5393 7.2579 7.2579 7.3544 7.3544 7.9712 7.9712 12.2005 12.2005 13.9803 13.9803 14.0217 14.0217 14.1421 14.1421 14.1918 14.1918 k = 0.5000 0.5000 0.4394 ( 4284 PWs) bands (ev): -30.9378 -30.9378 -12.2167 -12.2167 -11.8409 -11.8409 -11.8407 -11.8407 -7.4124 -7.4124 -7.4122 -7.4122 -7.3762 -7.3762 -7.3758 -7.3758 -7.3482 -7.3482 -7.3277 -7.3277 -4.9500 -4.9500 -4.9314 -4.9314 -4.8445 -4.8445 -4.8442 -4.8442 -4.8064 -4.8064 -4.8062 -4.8062 -4.7980 -4.7980 -4.6770 -4.6770 -4.6769 -4.6769 2.6794 2.6794 2.7034 2.7034 2.7131 2.7131 6.4948 6.4948 7.2613 7.2613 7.3222 7.3222 7.9530 7.9530 12.1630 12.1630 13.9968 13.9968 14.0231 14.0231 14.1833 14.1833 14.2163 14.2163 k = 0.5000 0.5000 0.4545 ( 4272 PWs) bands (ev): -30.9378 -30.9378 -12.2167 -12.2167 -11.8408 -11.8408 -11.8407 -11.8407 -7.4126 -7.4126 -7.4124 -7.4124 -7.3762 -7.3762 -7.3760 -7.3760 -7.3481 -7.3481 -7.3276 -7.3276 -4.9506 -4.9506 -4.9320 -4.9320 -4.8446 -4.8446 -4.8444 -4.8444 -4.8063 -4.8063 -4.8062 -4.8062 -4.7979 -4.7979 -4.6762 -4.6762 -4.6761 -4.6761 2.6907 2.6907 2.7128 2.7128 2.7191 2.7191 6.4599 6.4599 7.2632 7.2632 7.2971 7.2971 7.9398 7.9398 12.1333 12.1333 14.0096 14.0096 14.0244 14.0244 14.2157 14.2157 14.2350 14.2350 k = 0.5000 0.5000 0.4697 ( 4272 PWs) bands (ev): -30.9378 -30.9378 -12.2166 -12.2166 -11.8408 -11.8408 -11.8407 -11.8407 -7.4127 -7.4127 -7.4126 -7.4126 -7.3762 -7.3762 -7.3761 -7.3761 -7.3480 -7.3480 -7.3275 -7.3275 -4.9511 -4.9511 -4.9325 -4.9325 -4.8447 -4.8447 -4.8446 -4.8446 -4.8063 -4.8063 -4.8062 -4.8062 -4.7979 -4.7979 -4.6756 -4.6756 -4.6756 -4.6756 2.6981 2.6981 2.7204 2.7204 2.7235 2.7235 6.4347 6.4347 7.2641 7.2641 7.2790 7.2790 7.9310 7.9310 12.1119 12.1119 14.0188 14.0188 14.0253 14.0253 14.2390 14.2390 14.2483 14.2483 k = 0.5000 0.5000 0.4848 ( 4272 PWs) bands (ev): -30.9378 -30.9378 -12.2166 -12.2166 -11.8408 -11.8408 -11.8407 -11.8407 -7.4128 -7.4128 -7.4127 -7.4127 -7.3762 -7.3762 -7.3762 -7.3762 -7.3479 -7.3479 -7.3275 -7.3275 -4.9514 -4.9514 -4.9328 -4.9328 -4.8447 -4.8447 -4.8447 -4.8447 -4.8063 -4.8063 -4.8062 -4.8062 -4.7978 -4.7978 -4.6753 -4.6753 -4.6752 -4.6752 2.7023 2.7023 2.7253 2.7253 2.7261 2.7261 6.4195 6.4195 7.2644 7.2644 7.2681 7.2681 7.9259 7.9259 12.0990 12.0990 14.0243 14.0243 14.0259 14.0259 14.2530 14.2530 14.2561 14.2561 k = 0.5000 0.5000 0.5000 ( 4272 PWs) bands (ev): -30.9378 -30.9378 -12.2166 -12.2166 -11.8407 -11.8407 -11.8407 -11.8407 -7.4128 -7.4128 -7.4128 -7.4128 -7.3762 -7.3762 -7.3762 -7.3762 -7.3479 -7.3479 -7.3275 -7.3275 -4.9515 -4.9515 -4.9329 -4.9329 -4.8447 -4.8447 -4.8447 -4.8447 -4.8063 -4.8063 -4.8063 -4.8063 -4.7978 -4.7978 -4.6751 -4.6751 -4.6751 -4.6751 2.7036 2.7036 2.7270 2.7270 2.7270 2.7270 6.4144 6.4144 7.2645 7.2645 7.2645 7.2645 7.9243 7.9243 12.0946 12.0946 14.0262 14.0262 14.0262 14.0262 14.2574 14.2574 14.2587 14.2587 Writing output data file CaPb3.save init_run : 0.30s CPU 0.75s WALL ( 1 calls) electrons : 169.33s CPU 172.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.23s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 169.32s CPU 172.97s 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 0.06s WALL ( 253 calls) cegterg : 157.10s CPU 159.13s WALL ( 322 calls) Called by sum_band: Called by *egterg: h_psi : 86.79s CPU 88.39s WALL ( 5784 calls) s_psi : 4.72s CPU 4.89s WALL ( 5784 calls) g_psi : 0.18s CPU 0.24s WALL ( 5209 calls) cdiaghg : 58.75s CPU 58.04s WALL ( 5462 calls) cegterg:over : 6.53s CPU 6.55s WALL ( 5209 calls) cegterg:upda : 5.04s CPU 5.89s WALL ( 5209 calls) cegterg:last : 2.85s CPU 3.04s WALL ( 955 calls) cdiaghg:chol : 3.34s CPU 3.31s WALL ( 5462 calls) cdiaghg:inve : 2.45s CPU 2.39s WALL ( 5462 calls) cdiaghg:para : 3.57s CPU 4.04s WALL ( 10924 calls) Called by h_psi: h_psi:vloc : 75.46s CPU 77.21s WALL ( 5784 calls) h_psi:vnl : 11.12s CPU 10.94s WALL ( 5784 calls) add_vuspsi : 5.87s CPU 5.78s WALL ( 5784 calls) General routines calbec : 5.23s CPU 5.14s WALL ( 5784 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 71.32s CPU 72.94s WALL ( 734776 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.20s WALL ( 506 calls) Parallel routines fft_scatter : 23.41s CPU 23.90s WALL ( 734799 calls) PWSCF : 3m 4.96s CPU 3m34.88s WALL This run was terminated on: 16:30:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=