Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 6:25 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: ./Mg3ZnC.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 28 8 1446 681 112 Max 47 29 9 1451 701 115 Sum 1685 1041 305 52179 24885 4067 bravais-lattice index = 14 lattice parameter (alat) = 7.4145 a.u. unit-cell volume = 407.6155 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.414529 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 Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 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 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) C 4.00 12.01070 C( 1.00) Zn 12.00 65.40900 Zn( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031949 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031949 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031949 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031949 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031949 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031949 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031949 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031949 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031949 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031949 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031949 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031949 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031949 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031949 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031949 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031949 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031949 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031949 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031949 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031949 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031949 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031949 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031949 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031949 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031949 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031949 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031949 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031949 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031949 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031949 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031949 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031949 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031949 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031949 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031949 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031949 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031949 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031949 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031949 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031949 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031949 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031949 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031949 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031949 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031949 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031949 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031949 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031949 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031949 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031949 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031949 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031949 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031949 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031949 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031949 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031949 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031949 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031949 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031949 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031949 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031949 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031949 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031949 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031949 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031949 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031949 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031949 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031949 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031949 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031949 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031949 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031949 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031949 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031949 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031949 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031949 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031949 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031949 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 86) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0031949 k( 87) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0031949 k( 88) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0031949 k( 89) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0031949 k( 90) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0031949 k( 91) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0031949 k( 92) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0031949 k( 93) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0031949 k( 94) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0031949 k( 95) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0031949 k( 96) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0031949 k( 97) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0031949 k( 98) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0031949 k( 99) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0031949 k( 100) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0031949 k( 101) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0031949 k( 102) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0031949 k( 103) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0031949 k( 104) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031949 k( 105) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0031949 k( 106) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0031949 k( 107) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0031949 k( 108) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0031949 k( 109) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0031949 k( 110) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0031949 k( 111) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0031949 k( 112) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0031949 k( 113) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0031949 k( 114) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0031949 k( 115) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0031949 k( 116) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0031949 k( 117) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0031949 k( 118) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0031949 k( 119) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0031949 k( 120) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0031949 k( 121) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0031949 k( 122) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0031949 k( 123) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031949 k( 124) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0031949 k( 125) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0031949 k( 126) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0031949 k( 127) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0031949 k( 128) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0031949 k( 129) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0031949 k( 130) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0031949 k( 131) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0031949 k( 132) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0031949 k( 133) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0031949 k( 134) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0031949 k( 135) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0031949 k( 136) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0031949 k( 137) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0031949 k( 138) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0031949 k( 139) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0031949 k( 140) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0031949 k( 141) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 144) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031949 k( 145) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031949 k( 146) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031949 k( 147) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031949 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031949 k( 149) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031949 k( 150) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031949 k( 151) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031949 k( 152) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031949 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031949 k( 154) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031949 k( 155) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031949 k( 156) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031949 k( 157) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031949 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031949 k( 159) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031949 k( 160) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031949 k( 161) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031949 k( 162) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031949 k( 163) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031949 k( 164) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031949 k( 165) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031949 k( 166) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031949 k( 167) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031949 k( 168) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031949 k( 169) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031949 k( 170) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031949 k( 171) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031949 k( 172) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031949 k( 173) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031949 k( 174) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031949 k( 175) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031949 k( 176) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031949 k( 177) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031949 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 179) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031949 k( 180) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031949 k( 181) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031949 k( 182) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031949 k( 183) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031949 k( 184) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031949 k( 185) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031949 k( 186) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031949 k( 187) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031949 k( 188) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031949 k( 189) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031949 k( 190) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031949 k( 191) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031949 k( 192) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031949 k( 193) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031949 k( 194) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031949 k( 195) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031949 k( 196) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031949 k( 197) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031949 k( 198) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031949 k( 199) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031949 k( 200) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031949 k( 201) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031949 k( 202) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031949 k( 203) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031949 k( 204) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031949 k( 205) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031949 k( 206) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031949 k( 207) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031949 k( 208) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031949 k( 209) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031949 k( 210) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031949 k( 211) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031949 k( 212) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031949 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 215) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0031949 k( 216) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0031949 k( 217) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0031949 k( 218) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0031949 k( 219) = ( 0.4561404 0.5000000 0.4561403), wk = 0.0031949 k( 220) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0031949 k( 221) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0031949 k( 222) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0031949 k( 223) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0031949 k( 224) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0031949 k( 225) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0031949 k( 226) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0031949 k( 227) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0031949 k( 228) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0031949 k( 229) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0031949 k( 230) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0031949 k( 231) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0031949 k( 232) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0031949 k( 233) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0031949 k( 234) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0031949 k( 235) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0031949 k( 236) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0031949 k( 237) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0031949 k( 238) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0031949 k( 239) = ( 0.2807018 0.5000000 0.2807017), wk = 0.0031949 k( 240) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0031949 k( 241) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0031949 k( 242) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0031949 k( 243) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0031949 k( 244) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0031949 k( 245) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0031949 k( 246) = ( 0.2192983 0.5000000 0.2192982), wk = 0.0031949 k( 247) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0031949 k( 248) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0031949 k( 249) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0031949 k( 250) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0031949 k( 251) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0031949 k( 252) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0031949 k( 253) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0031949 k( 254) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0031949 k( 255) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0031949 k( 256) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0031949 k( 257) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0031949 k( 258) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0031949 k( 259) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0031949 k( 260) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0031949 k( 261) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0031949 k( 262) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0031949 k( 263) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0031949 k( 264) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0031949 k( 265) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0031949 k( 266) = ( 0.0438597 0.5000000 0.0438596), wk = 0.0031949 k( 267) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0031949 k( 268) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0031949 k( 269) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0031949 k( 270) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0031949 k( 271) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 272) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 273) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031949 k( 274) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031949 k( 275) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031949 k( 276) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031949 k( 277) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031949 k( 278) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031949 k( 279) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031949 k( 280) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031949 k( 281) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031949 k( 282) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031949 k( 283) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031949 k( 284) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031949 k( 285) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031949 k( 286) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031949 k( 287) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031949 k( 288) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031949 k( 289) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031949 k( 290) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031949 k( 302) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031949 k( 304) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031949 k( 305) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031949 k( 306) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031949 k( 307) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031949 k( 308) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031949 k( 309) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031949 k( 310) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031949 k( 311) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031949 k( 312) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031949 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031949 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031949 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031949 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031949 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031949 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031949 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031949 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031949 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031949 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031949 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031949 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031949 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031949 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031949 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031949 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031949 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031949 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031949 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031949 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031949 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031949 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031949 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031949 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031949 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031949 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031949 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031949 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031949 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031949 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031949 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031949 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031949 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031949 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031949 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031949 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031949 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031949 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031949 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031949 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031949 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031949 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031949 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031949 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031949 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031949 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031949 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031949 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031949 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031949 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031949 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031949 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031949 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031949 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031949 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031949 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031949 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031949 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031949 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031949 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031949 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031949 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031949 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0031949 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031949 k( 68) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0031949 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031949 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031949 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031949 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031949 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031949 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031949 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031949 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031949 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031949 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031949 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031949 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0031949 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031949 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031949 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031949 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 86) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0031949 k( 87) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0031949 k( 88) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0031949 k( 89) = ( 0.4649123 0.4649123 0.0000000), wk = 0.0031949 k( 90) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0031949 k( 91) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0031949 k( 92) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0031949 k( 93) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0031949 k( 94) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0031949 k( 95) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0031949 k( 96) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0031949 k( 97) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0031949 k( 98) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0031949 k( 99) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0031949 k( 100) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0031949 k( 101) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0031949 k( 102) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0031949 k( 103) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0031949 k( 104) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031949 k( 105) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0031949 k( 106) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0031949 k( 107) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0031949 k( 108) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0031949 k( 109) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0031949 k( 110) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0031949 k( 111) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0031949 k( 112) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0031949 k( 113) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0031949 k( 114) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0031949 k( 115) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0031949 k( 116) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0031949 k( 117) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0031949 k( 118) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0031949 k( 119) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0031949 k( 120) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0031949 k( 121) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0031949 k( 122) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0031949 k( 123) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0031949 k( 124) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0031949 k( 125) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0031949 k( 126) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0031949 k( 127) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0031949 k( 128) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0031949 k( 129) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0031949 k( 130) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0031949 k( 131) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0031949 k( 132) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0031949 k( 133) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0031949 k( 134) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0031949 k( 135) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0031949 k( 136) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0031949 k( 137) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0031949 k( 138) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0031949 k( 139) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0031949 k( 140) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0031949 k( 141) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 144) = ( 0.0071429 0.0071429 0.0071429), wk = 0.0031949 k( 145) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0031949 k( 146) = ( 0.0214286 0.0214286 0.0214286), wk = 0.0031949 k( 147) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0031949 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031949 k( 149) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0031949 k( 150) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031949 k( 151) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0031949 k( 152) = ( 0.0642857 0.0642857 0.0642857), wk = 0.0031949 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031949 k( 154) = ( 0.0785714 0.0785714 0.0785714), wk = 0.0031949 k( 155) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0031949 k( 156) = ( 0.0928571 0.0928571 0.0928571), wk = 0.0031949 k( 157) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031949 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031949 k( 159) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0031949 k( 160) = ( 0.1214286 0.1214286 0.1214286), wk = 0.0031949 k( 161) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0031949 k( 162) = ( 0.1357143 0.1357143 0.1357143), wk = 0.0031949 k( 163) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031949 k( 164) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031949 k( 165) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0031949 k( 166) = ( 0.1642857 0.1642857 0.1642857), wk = 0.0031949 k( 167) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0031949 k( 168) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031949 k( 169) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0031949 k( 170) = ( 0.1928571 0.1928571 0.1928571), wk = 0.0031949 k( 171) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031949 k( 172) = ( 0.2071429 0.2071429 0.2071429), wk = 0.0031949 k( 173) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031949 k( 174) = ( 0.2214286 0.2214286 0.2214286), wk = 0.0031949 k( 175) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0031949 k( 176) = ( 0.2357143 0.2357143 0.2357143), wk = 0.0031949 k( 177) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0031949 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 179) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0031949 k( 180) = ( 0.2642857 0.2642857 0.2642857), wk = 0.0031949 k( 181) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0031949 k( 182) = ( 0.2785714 0.2785714 0.2785714), wk = 0.0031949 k( 183) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031949 k( 184) = ( 0.2928571 0.2928571 0.2928571), wk = 0.0031949 k( 185) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031949 k( 186) = ( 0.3071429 0.3071429 0.3071429), wk = 0.0031949 k( 187) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0031949 k( 188) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031949 k( 189) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0031949 k( 190) = ( 0.3357143 0.3357143 0.3357143), wk = 0.0031949 k( 191) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0031949 k( 192) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031949 k( 193) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031949 k( 194) = ( 0.3642857 0.3642857 0.3642857), wk = 0.0031949 k( 195) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0031949 k( 196) = ( 0.3785714 0.3785714 0.3785714), wk = 0.0031949 k( 197) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0031949 k( 198) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031949 k( 199) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031949 k( 200) = ( 0.4071429 0.4071429 0.4071429), wk = 0.0031949 k( 201) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0031949 k( 202) = ( 0.4214286 0.4214286 0.4214286), wk = 0.0031949 k( 203) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031949 k( 204) = ( 0.4357143 0.4357143 0.4357143), wk = 0.0031949 k( 205) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0031949 k( 206) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031949 k( 207) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0031949 k( 208) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031949 k( 209) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0031949 k( 210) = ( 0.4785714 0.4785714 0.4785714), wk = 0.0031949 k( 211) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0031949 k( 212) = ( 0.4928571 0.4928571 0.4928571), wk = 0.0031949 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 215) = ( 0.4912281 0.5000000 0.4912281), wk = 0.0031949 k( 216) = ( 0.4824561 0.5000000 0.4824561), wk = 0.0031949 k( 217) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0031949 k( 218) = ( 0.4649123 0.5000000 0.4649123), wk = 0.0031949 k( 219) = ( 0.4561404 0.5000000 0.4561404), wk = 0.0031949 k( 220) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0031949 k( 221) = ( 0.4385965 0.5000000 0.4385965), wk = 0.0031949 k( 222) = ( 0.4298246 0.5000000 0.4298246), wk = 0.0031949 k( 223) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0031949 k( 224) = ( 0.4122807 0.5000000 0.4122807), wk = 0.0031949 k( 225) = ( 0.4035088 0.5000000 0.4035088), wk = 0.0031949 k( 226) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0031949 k( 227) = ( 0.3859649 0.5000000 0.3859649), wk = 0.0031949 k( 228) = ( 0.3771930 0.5000000 0.3771930), wk = 0.0031949 k( 229) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0031949 k( 230) = ( 0.3596491 0.5000000 0.3596491), wk = 0.0031949 k( 231) = ( 0.3508772 0.5000000 0.3508772), wk = 0.0031949 k( 232) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0031949 k( 233) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0031949 k( 234) = ( 0.3245614 0.5000000 0.3245614), wk = 0.0031949 k( 235) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0031949 k( 236) = ( 0.3070175 0.5000000 0.3070175), wk = 0.0031949 k( 237) = ( 0.2982456 0.5000000 0.2982456), wk = 0.0031949 k( 238) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0031949 k( 239) = ( 0.2807018 0.5000000 0.2807018), wk = 0.0031949 k( 240) = ( 0.2719298 0.5000000 0.2719298), wk = 0.0031949 k( 241) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0031949 k( 242) = ( 0.2543860 0.5000000 0.2543860), wk = 0.0031949 k( 243) = ( 0.2456140 0.5000000 0.2456140), wk = 0.0031949 k( 244) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0031949 k( 245) = ( 0.2280702 0.5000000 0.2280702), wk = 0.0031949 k( 246) = ( 0.2192983 0.5000000 0.2192983), wk = 0.0031949 k( 247) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0031949 k( 248) = ( 0.2017544 0.5000000 0.2017544), wk = 0.0031949 k( 249) = ( 0.1929825 0.5000000 0.1929825), wk = 0.0031949 k( 250) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0031949 k( 251) = ( 0.1754386 0.5000000 0.1754386), wk = 0.0031949 k( 252) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0031949 k( 253) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0031949 k( 254) = ( 0.1491228 0.5000000 0.1491228), wk = 0.0031949 k( 255) = ( 0.1403509 0.5000000 0.1403509), wk = 0.0031949 k( 256) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0031949 k( 257) = ( 0.1228070 0.5000000 0.1228070), wk = 0.0031949 k( 258) = ( 0.1140351 0.5000000 0.1140351), wk = 0.0031949 k( 259) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0031949 k( 260) = ( 0.0964912 0.5000000 0.0964912), wk = 0.0031949 k( 261) = ( 0.0877193 0.5000000 0.0877193), wk = 0.0031949 k( 262) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0031949 k( 263) = ( 0.0701754 0.5000000 0.0701754), wk = 0.0031949 k( 264) = ( 0.0614035 0.5000000 0.0614035), wk = 0.0031949 k( 265) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0031949 k( 266) = ( 0.0438597 0.5000000 0.0438597), wk = 0.0031949 k( 267) = ( 0.0350877 0.5000000 0.0350877), wk = 0.0031949 k( 268) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0031949 k( 269) = ( 0.0175439 0.5000000 0.0175439), wk = 0.0031949 k( 270) = ( 0.0087719 0.5000000 0.0087719), wk = 0.0031949 k( 271) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 272) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 273) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031949 k( 274) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031949 k( 275) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031949 k( 276) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031949 k( 277) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031949 k( 278) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031949 k( 279) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031949 k( 280) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031949 k( 281) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031949 k( 282) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031949 k( 283) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031949 k( 284) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031949 k( 285) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031949 k( 286) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031949 k( 287) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031949 k( 288) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031949 k( 289) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031949 k( 290) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031949 k( 302) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031949 k( 304) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031949 k( 305) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031949 k( 306) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031949 k( 307) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031949 k( 308) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031949 k( 309) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031949 k( 310) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031949 k( 311) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031949 k( 312) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031949 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 Dense grid: 52179 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 24885 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 182, 56) NL pseudopotentials 0.12 Mb ( 91, 90) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1451) G-vector shells 0.00 Mb ( 327) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 182, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.15 Mb ( 90, 2, 56) Check: negative/imaginary core charge= -0.000021 0.000000 The potential is recalculated from file : ./Mg3ZnC.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.8 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.2 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.8 secs Computing kpt #: 18 total cpu time spent up to now is 11.3 secs Computing kpt #: 19 total cpu time spent up to now is 11.8 secs Computing kpt #: 20 total cpu time spent up to now is 12.3 secs Computing kpt #: 21 total cpu time spent up to now is 12.9 secs Computing kpt #: 22 total cpu time spent up to now is 13.6 secs Computing kpt #: 23 total cpu time spent up to now is 14.6 secs Computing kpt #: 24 total cpu time spent up to now is 15.2 secs Computing kpt #: 25 total cpu time spent up to now is 15.7 secs Computing kpt #: 26 total cpu time spent up to now is 16.1 secs Computing kpt #: 27 total cpu time spent up to now is 16.4 secs Computing kpt #: 28 total cpu time spent up to now is 16.8 secs Computing kpt #: 29 total cpu time spent up to now is 17.1 secs Computing kpt #: 30 total cpu time spent up to now is 17.4 secs Computing kpt #: 31 total cpu time spent up to now is 17.7 secs Computing kpt #: 32 total cpu time spent up to now is 18.1 secs Computing kpt #: 33 total cpu time spent up to now is 18.4 secs Computing kpt #: 34 total cpu time spent up to now is 18.7 secs Computing kpt #: 35 total cpu time spent up to now is 19.1 secs Computing kpt #: 36 total cpu time spent up to now is 19.5 secs Computing kpt #: 37 total cpu time spent up to now is 20.0 secs Computing kpt #: 38 total cpu time spent up to now is 20.6 secs Computing kpt #: 39 total cpu time spent up to now is 21.6 secs Computing kpt #: 40 total cpu time spent up to now is 22.3 secs Computing kpt #: 41 total cpu time spent up to now is 23.1 secs Computing kpt #: 42 total cpu time spent up to now is 23.7 secs Computing kpt #: 43 total cpu time spent up to now is 24.3 secs Computing kpt #: 44 total cpu time spent up to now is 25.0 secs Computing kpt #: 45 total cpu time spent up to now is 25.6 secs Computing kpt #: 46 total cpu time spent up to now is 26.2 secs Computing kpt #: 47 total cpu time spent up to now is 26.8 secs Computing kpt #: 48 total cpu time spent up to now is 27.3 secs Computing kpt #: 49 total cpu time spent up to now is 27.8 secs Computing kpt #: 50 total cpu time spent up to now is 28.2 secs Computing kpt #: 51 total cpu time spent up to now is 28.6 secs Computing kpt #: 52 total cpu time spent up to now is 29.0 secs Computing kpt #: 53 total cpu time spent up to now is 29.4 secs Computing kpt #: 54 total cpu time spent up to now is 29.8 secs Computing kpt #: 55 total cpu time spent up to now is 30.2 secs Computing kpt #: 56 total cpu time spent up to now is 30.6 secs Computing kpt #: 57 total cpu time spent up to now is 31.0 secs Computing kpt #: 58 total cpu time spent up to now is 31.3 secs Computing kpt #: 59 total cpu time spent up to now is 31.6 secs Computing kpt #: 60 total cpu time spent up to now is 31.9 secs Computing kpt #: 61 total cpu time spent up to now is 32.3 secs Computing kpt #: 62 total cpu time spent up to now is 32.6 secs Computing kpt #: 63 total cpu time spent up to now is 32.9 secs Computing kpt #: 64 total cpu time spent up to now is 33.2 secs Computing kpt #: 65 total cpu time spent up to now is 33.5 secs Computing kpt #: 66 total cpu time spent up to now is 33.8 secs Computing kpt #: 67 total cpu time spent up to now is 34.1 secs Computing kpt #: 68 total cpu time spent up to now is 34.4 secs Computing kpt #: 69 total cpu time spent up to now is 34.8 secs Computing kpt #: 70 total cpu time spent up to now is 35.1 secs Computing kpt #: 71 total cpu time spent up to now is 35.6 secs Computing kpt #: 72 total cpu time spent up to now is 35.9 secs Computing kpt #: 73 total cpu time spent up to now is 36.3 secs Computing kpt #: 74 total cpu time spent up to now is 36.7 secs Computing kpt #: 75 total cpu time spent up to now is 37.0 secs Computing kpt #: 76 total cpu time spent up to now is 37.3 secs Computing kpt #: 77 total cpu time spent up to now is 37.8 secs Computing kpt #: 78 total cpu time spent up to now is 38.2 secs Computing kpt #: 79 total cpu time spent up to now is 38.5 secs Computing kpt #: 80 total cpu time spent up to now is 38.8 secs Computing kpt #: 81 total cpu time spent up to now is 39.2 secs Computing kpt #: 82 total cpu time spent up to now is 39.5 secs Computing kpt #: 83 total cpu time spent up to now is 39.9 secs Computing kpt #: 84 total cpu time spent up to now is 40.2 secs Computing kpt #: 85 total cpu time spent up to now is 40.5 secs Computing kpt #: 86 total cpu time spent up to now is 40.9 secs Computing kpt #: 87 total cpu time spent up to now is 41.2 secs Computing kpt #: 88 total cpu time spent up to now is 41.6 secs Computing kpt #: 89 total cpu time spent up to now is 41.9 secs Computing kpt #: 90 total cpu time spent up to now is 42.2 secs Computing kpt #: 91 total cpu time spent up to now is 42.6 secs Computing kpt #: 92 total cpu time spent up to now is 42.9 secs Computing kpt #: 93 total cpu time spent up to now is 43.2 secs Computing kpt #: 94 total cpu time spent up to now is 43.6 secs Computing kpt #: 95 total cpu time spent up to now is 44.1 secs Computing kpt #: 96 total cpu time spent up to now is 44.4 secs Computing kpt #: 97 total cpu time spent up to now is 44.7 secs Computing kpt #: 98 total cpu time spent up to now is 45.1 secs Computing kpt #: 99 total cpu time spent up to now is 45.4 secs Computing kpt #: 100 total cpu time spent up to now is 45.7 secs Computing kpt #: 101 total cpu time spent up to now is 46.0 secs Computing kpt #: 102 total cpu time spent up to now is 46.3 secs Computing kpt #: 103 total cpu time spent up to now is 46.6 secs Computing kpt #: 104 total cpu time spent up to now is 47.0 secs Computing kpt #: 105 total cpu time spent up to now is 47.3 secs Computing kpt #: 106 total cpu time spent up to now is 47.6 secs Computing kpt #: 107 total cpu time spent up to now is 47.9 secs Computing kpt #: 108 total cpu time spent up to now is 48.3 secs Computing kpt #: 109 total cpu time spent up to now is 48.6 secs Computing kpt #: 110 total cpu time spent up to now is 48.9 secs Computing kpt #: 111 total cpu time spent up to now is 49.2 secs Computing kpt #: 112 total cpu time spent up to now is 49.6 secs Computing kpt #: 113 total cpu time spent up to now is 49.9 secs Computing kpt #: 114 total cpu time spent up to now is 50.2 secs Computing kpt #: 115 total cpu time spent up to now is 50.6 secs Computing kpt #: 116 total cpu time spent up to now is 50.9 secs Computing kpt #: 117 total cpu time spent up to now is 51.3 secs Computing kpt #: 118 total cpu time spent up to now is 51.6 secs Computing kpt #: 119 total cpu time spent up to now is 52.0 secs Computing kpt #: 120 total cpu time spent up to now is 52.4 secs Computing kpt #: 121 total cpu time spent up to now is 52.7 secs Computing kpt #: 122 total cpu time spent up to now is 53.1 secs Computing kpt #: 123 total cpu time spent up to now is 53.4 secs Computing kpt #: 124 total cpu time spent up to now is 53.8 secs Computing kpt #: 125 total cpu time spent up to now is 54.2 secs Computing kpt #: 126 total cpu time spent up to now is 54.6 secs Computing kpt #: 127 total cpu time spent up to now is 55.0 secs Computing kpt #: 128 total cpu time spent up to now is 55.4 secs Computing kpt #: 129 total cpu time spent up to now is 55.8 secs Computing kpt #: 130 total cpu time spent up to now is 56.3 secs Computing kpt #: 131 total cpu time spent up to now is 56.7 secs Computing kpt #: 132 total cpu time spent up to now is 57.1 secs Computing kpt #: 133 total cpu time spent up to now is 57.6 secs Computing kpt #: 134 total cpu time spent up to now is 58.0 secs Computing kpt #: 135 total cpu time spent up to now is 58.4 secs Computing kpt #: 136 total cpu time spent up to now is 58.9 secs Computing kpt #: 137 total cpu time spent up to now is 59.3 secs Computing kpt #: 138 total cpu time spent up to now is 59.8 secs Computing kpt #: 139 total cpu time spent up to now is 60.2 secs Computing kpt #: 140 total cpu time spent up to now is 60.7 secs Computing kpt #: 141 total cpu time spent up to now is 61.5 secs Computing kpt #: 142 total cpu time spent up to now is 61.9 secs Computing kpt #: 143 total cpu time spent up to now is 62.4 secs Computing kpt #: 144 total cpu time spent up to now is 62.9 secs Computing kpt #: 145 total cpu time spent up to now is 63.3 secs Computing kpt #: 146 total cpu time spent up to now is 63.8 secs Computing kpt #: 147 total cpu time spent up to now is 64.3 secs Computing kpt #: 148 total cpu time spent up to now is 64.7 secs Computing kpt #: 149 total cpu time spent up to now is 65.2 secs Computing kpt #: 150 total cpu time spent up to now is 65.7 secs Computing kpt #: 151 total cpu time spent up to now is 66.1 secs Computing kpt #: 152 total cpu time spent up to now is 66.5 secs Computing kpt #: 153 total cpu time spent up to now is 67.0 secs Computing kpt #: 154 total cpu time spent up to now is 67.4 secs Computing kpt #: 155 total cpu time spent up to now is 67.9 secs Computing kpt #: 156 total cpu time spent up to now is 68.4 secs Computing kpt #: 157 total cpu time spent up to now is 68.8 secs Computing kpt #: 158 total cpu time spent up to now is 69.3 secs Computing kpt #: 159 total cpu time spent up to now is 69.8 secs Computing kpt #: 160 total cpu time spent up to now is 70.2 secs Computing kpt #: 161 total cpu time spent up to now is 70.6 secs Computing kpt #: 162 total cpu time spent up to now is 71.3 secs Computing kpt #: 163 total cpu time spent up to now is 71.7 secs Computing kpt #: 164 total cpu time spent up to now is 72.1 secs Computing kpt #: 165 total cpu time spent up to now is 72.6 secs Computing kpt #: 166 total cpu time spent up to now is 73.0 secs Computing kpt #: 167 total cpu time spent up to now is 73.6 secs Computing kpt #: 168 total cpu time spent up to now is 74.2 secs Computing kpt #: 169 total cpu time spent up to now is 74.6 secs Computing kpt #: 170 total cpu time spent up to now is 75.1 secs Computing kpt #: 171 total cpu time spent up to now is 75.7 secs Computing kpt #: 172 total cpu time spent up to now is 76.1 secs Computing kpt #: 173 total cpu time spent up to now is 76.7 secs Computing kpt #: 174 total cpu time spent up to now is 77.1 secs Computing kpt #: 175 total cpu time spent up to now is 77.4 secs Computing kpt #: 176 total cpu time spent up to now is 77.7 secs Computing kpt #: 177 total cpu time spent up to now is 78.0 secs Computing kpt #: 178 total cpu time spent up to now is 78.3 secs Computing kpt #: 179 total cpu time spent up to now is 78.6 secs Computing kpt #: 180 total cpu time spent up to now is 78.9 secs Computing kpt #: 181 total cpu time spent up to now is 79.2 secs Computing kpt #: 182 total cpu time spent up to now is 79.5 secs Computing kpt #: 183 total cpu time spent up to now is 79.8 secs Computing kpt #: 184 total cpu time spent up to now is 80.1 secs Computing kpt #: 185 total cpu time spent up to now is 80.4 secs Computing kpt #: 186 total cpu time spent up to now is 80.7 secs Computing kpt #: 187 total cpu time spent up to now is 81.0 secs Computing kpt #: 188 total cpu time spent up to now is 81.3 secs Computing kpt #: 189 total cpu time spent up to now is 81.6 secs Computing kpt #: 190 total cpu time spent up to now is 81.9 secs Computing kpt #: 191 total cpu time spent up to now is 82.1 secs Computing kpt #: 192 total cpu time spent up to now is 82.4 secs Computing kpt #: 193 total cpu time spent up to now is 82.7 secs Computing kpt #: 194 total cpu time spent up to now is 83.0 secs Computing kpt #: 195 total cpu time spent up to now is 83.3 secs Computing kpt #: 196 total cpu time spent up to now is 83.5 secs Computing kpt #: 197 total cpu time spent up to now is 83.8 secs Computing kpt #: 198 total cpu time spent up to now is 84.1 secs Computing kpt #: 199 total cpu time spent up to now is 84.4 secs Computing kpt #: 200 total cpu time spent up to now is 84.7 secs Computing kpt #: 201 total cpu time spent up to now is 85.0 secs Computing kpt #: 202 total cpu time spent up to now is 85.3 secs Computing kpt #: 203 total cpu time spent up to now is 85.6 secs Computing kpt #: 204 total cpu time spent up to now is 85.9 secs Computing kpt #: 205 total cpu time spent up to now is 86.2 secs Computing kpt #: 206 total cpu time spent up to now is 86.5 secs Computing kpt #: 207 total cpu time spent up to now is 86.8 secs Computing kpt #: 208 total cpu time spent up to now is 87.1 secs Computing kpt #: 209 total cpu time spent up to now is 87.3 secs Computing kpt #: 210 total cpu time spent up to now is 87.6 secs Computing kpt #: 211 total cpu time spent up to now is 87.9 secs Computing kpt #: 212 total cpu time spent up to now is 88.2 secs Computing kpt #: 213 total cpu time spent up to now is 88.5 secs Computing kpt #: 214 total cpu time spent up to now is 88.7 secs Computing kpt #: 215 total cpu time spent up to now is 89.0 secs Computing kpt #: 216 total cpu time spent up to now is 89.3 secs Computing kpt #: 217 total cpu time spent up to now is 89.6 secs Computing kpt #: 218 total cpu time spent up to now is 89.9 secs Computing kpt #: 219 total cpu time spent up to now is 90.2 secs Computing kpt #: 220 total cpu time spent up to now is 90.5 secs Computing kpt #: 221 total cpu time spent up to now is 90.8 secs Computing kpt #: 222 total cpu time spent up to now is 91.0 secs Computing kpt #: 223 total cpu time spent up to now is 91.3 secs Computing kpt #: 224 total cpu time spent up to now is 91.6 secs Computing kpt #: 225 total cpu time spent up to now is 91.9 secs Computing kpt #: 226 total cpu time spent up to now is 92.2 secs Computing kpt #: 227 total cpu time spent up to now is 92.5 secs Computing kpt #: 228 total cpu time spent up to now is 92.8 secs Computing kpt #: 229 total cpu time spent up to now is 93.1 secs Computing kpt #: 230 total cpu time spent up to now is 93.4 secs Computing kpt #: 231 total cpu time spent up to now is 93.7 secs Computing kpt #: 232 total cpu time spent up to now is 94.0 secs Computing kpt #: 233 total cpu time spent up to now is 94.3 secs Computing kpt #: 234 total cpu time spent up to now is 94.6 secs Computing kpt #: 235 total cpu time spent up to now is 94.9 secs Computing kpt #: 236 total cpu time spent up to now is 95.2 secs Computing kpt #: 237 total cpu time spent up to now is 95.5 secs Computing kpt #: 238 total cpu time spent up to now is 95.8 secs Computing kpt #: 239 total cpu time spent up to now is 96.1 secs Computing kpt #: 240 total cpu time spent up to now is 96.4 secs Computing kpt #: 241 total cpu time spent up to now is 96.7 secs Computing kpt #: 242 total cpu time spent up to now is 97.0 secs Computing kpt #: 243 total cpu time spent up to now is 97.3 secs Computing kpt #: 244 total cpu time spent up to now is 97.6 secs Computing kpt #: 245 total cpu time spent up to now is 98.0 secs Computing kpt #: 246 total cpu time spent up to now is 98.3 secs Computing kpt #: 247 total cpu time spent up to now is 98.6 secs Computing kpt #: 248 total cpu time spent up to now is 98.9 secs Computing kpt #: 249 total cpu time spent up to now is 99.2 secs Computing kpt #: 250 total cpu time spent up to now is 99.6 secs Computing kpt #: 251 total cpu time spent up to now is 100.0 secs Computing kpt #: 252 total cpu time spent up to now is 100.4 secs Computing kpt #: 253 total cpu time spent up to now is 100.7 secs Computing kpt #: 254 total cpu time spent up to now is 101.0 secs Computing kpt #: 255 total cpu time spent up to now is 101.4 secs Computing kpt #: 256 total cpu time spent up to now is 101.7 secs Computing kpt #: 257 total cpu time spent up to now is 102.0 secs Computing kpt #: 258 total cpu time spent up to now is 102.3 secs Computing kpt #: 259 total cpu time spent up to now is 102.6 secs Computing kpt #: 260 total cpu time spent up to now is 102.9 secs Computing kpt #: 261 total cpu time spent up to now is 103.2 secs Computing kpt #: 262 total cpu time spent up to now is 103.6 secs Computing kpt #: 263 total cpu time spent up to now is 104.0 secs Computing kpt #: 264 total cpu time spent up to now is 104.4 secs Computing kpt #: 265 total cpu time spent up to now is 104.8 secs Computing kpt #: 266 total cpu time spent up to now is 105.3 secs Computing kpt #: 267 total cpu time spent up to now is 105.8 secs Computing kpt #: 268 total cpu time spent up to now is 106.3 secs Computing kpt #: 269 total cpu time spent up to now is 106.9 secs Computing kpt #: 270 total cpu time spent up to now is 107.6 secs Computing kpt #: 271 total cpu time spent up to now is 108.4 secs Computing kpt #: 272 total cpu time spent up to now is 108.7 secs Computing kpt #: 273 total cpu time spent up to now is 109.1 secs Computing kpt #: 274 total cpu time spent up to now is 109.4 secs Computing kpt #: 275 total cpu time spent up to now is 109.7 secs Computing kpt #: 276 total cpu time spent up to now is 110.1 secs Computing kpt #: 277 total cpu time spent up to now is 110.4 secs Computing kpt #: 278 total cpu time spent up to now is 110.8 secs Computing kpt #: 279 total cpu time spent up to now is 111.1 secs Computing kpt #: 280 total cpu time spent up to now is 111.4 secs Computing kpt #: 281 total cpu time spent up to now is 111.7 secs Computing kpt #: 282 total cpu time spent up to now is 112.1 secs Computing kpt #: 283 total cpu time spent up to now is 112.4 secs Computing kpt #: 284 total cpu time spent up to now is 112.7 secs Computing kpt #: 285 total cpu time spent up to now is 113.0 secs Computing kpt #: 286 total cpu time spent up to now is 113.4 secs Computing kpt #: 287 total cpu time spent up to now is 113.7 secs Computing kpt #: 288 total cpu time spent up to now is 114.0 secs Computing kpt #: 289 total cpu time spent up to now is 114.3 secs Computing kpt #: 290 total cpu time spent up to now is 114.6 secs Computing kpt #: 291 total cpu time spent up to now is 114.9 secs Computing kpt #: 292 total cpu time spent up to now is 115.2 secs Computing kpt #: 293 total cpu time spent up to now is 115.5 secs Computing kpt #: 294 total cpu time spent up to now is 115.8 secs Computing kpt #: 295 total cpu time spent up to now is 116.1 secs Computing kpt #: 296 total cpu time spent up to now is 116.4 secs Computing kpt #: 297 total cpu time spent up to now is 116.7 secs Computing kpt #: 298 total cpu time spent up to now is 117.0 secs Computing kpt #: 299 total cpu time spent up to now is 117.3 secs Computing kpt #: 300 total cpu time spent up to now is 117.6 secs Computing kpt #: 301 total cpu time spent up to now is 117.8 secs Computing kpt #: 302 total cpu time spent up to now is 118.1 secs Computing kpt #: 303 total cpu time spent up to now is 118.4 secs Computing kpt #: 304 total cpu time spent up to now is 118.7 secs Computing kpt #: 305 total cpu time spent up to now is 119.0 secs Computing kpt #: 306 total cpu time spent up to now is 119.3 secs Computing kpt #: 307 total cpu time spent up to now is 119.6 secs Computing kpt #: 308 total cpu time spent up to now is 119.9 secs Computing kpt #: 309 total cpu time spent up to now is 120.2 secs Computing kpt #: 310 total cpu time spent up to now is 120.4 secs Computing kpt #: 311 total cpu time spent up to now is 120.7 secs Computing kpt #: 312 total cpu time spent up to now is 121.0 secs Computing kpt #: 313 total cpu time spent up to now is 121.3 secs ethr = 2.17E-08, avg # of iterations = 17.9 total cpu time spent up to now is 121.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3119 PWs) bands (ev): -64.0242 -64.0242 -64.0014 -64.0014 -64.0014 -64.0014 -30.9891 -30.9891 -30.9891 -30.9891 -30.9297 -30.9297 -30.7150 -30.7150 -30.7150 -30.7150 -30.6936 -30.6936 -30.6901 -30.6901 -30.6074 -30.6074 -30.6074 -30.6074 -1.4937 -1.4937 2.8205 2.8205 2.8205 2.8205 3.1672 3.1672 3.1672 3.1672 3.2403 3.2403 4.8652 4.8652 7.4910 7.4910 7.4987 7.4987 7.4987 7.4987 13.0456 13.0456 13.0456 13.0456 14.1387 14.1387 14.2619 14.2619 14.2619 14.2619 18.4309 18.4309 k = 0.0000 0.0122-0.0000 ( 3111 PWs) bands (ev): -64.0242 -64.0242 -64.0014 -64.0014 -64.0014 -64.0014 -30.9891 -30.9891 -30.9891 -30.9891 -30.9297 -30.9297 -30.7150 -30.7150 -30.7150 -30.7150 -30.6936 -30.6936 -30.6901 -30.6901 -30.6074 -30.6074 -30.6074 -30.6074 -1.4928 -1.4928 2.8205 2.8205 2.8206 2.8206 3.1672 3.1672 3.1673 3.1673 3.2402 3.2402 4.8629 4.8629 7.4917 7.4917 7.4992 7.4992 7.4995 7.4995 13.0387 13.0387 13.0468 13.0468 14.1390 14.1390 14.2584 14.2584 14.2658 14.2658 18.4291 18.4291 k = 0.0000 0.0244-0.0000 ( 3111 PWs) bands (ev): -64.0241 -64.0241 -64.0014 -64.0014 -64.0014 -64.0014 -30.9891 -30.9891 -30.9890 -30.9890 -30.9297 -30.9297 -30.7150 -30.7150 -30.7149 -30.7149 -30.6935 -30.6935 -30.6901 -30.6901 -30.6075 -30.6075 -30.6074 -30.6074 -1.4899 -1.4899 2.8205 2.8205 2.8207 2.8207 3.1672 3.1672 3.1672 3.1672 3.2400 3.2400 4.8561 4.8561 7.4933 7.4933 7.5005 7.5005 7.5020 7.5020 13.0184 13.0184 13.0502 13.0502 14.1375 14.1375 14.2477 14.2477 14.2795 14.2795 18.4237 18.4237 k = 0.0000 0.0366-0.0000 ( 3103 PWs) bands (ev): -64.0241 -64.0241 -64.0014 -64.0014 -64.0013 -64.0013 -30.9891 -30.9891 -30.9889 -30.9889 -30.9298 -30.9298 -30.7149 -30.7149 -30.7148 -30.7148 -30.6934 -30.6934 -30.6901 -30.6901 -30.6077 -30.6077 -30.6075 -30.6075 -1.4852 -1.4852 2.8206 2.8206 2.8209 2.8209 3.1672 3.1672 3.1672 3.1672 3.2397 3.2397 4.8448 4.8448 7.4954 7.4954 7.5034 7.5034 7.5062 7.5062 12.9856 12.9856 13.0560 13.0560 14.1293 14.1293 14.2299 14.2299 14.3070 14.3070 18.4152 18.4152 k = 0.0000 0.0488-0.0000 ( 3107 PWs) bands (ev): -64.0241 -64.0241 -64.0015 -64.0015 -64.0013 -64.0013 -30.9890 -30.9890 -30.9887 -30.9887 -30.9299 -30.9299 -30.7149 -30.7149 -30.7148 -30.7148 -30.6932 -30.6932 -30.6901 -30.6901 -30.6080 -30.6080 -30.6076 -30.6076 -1.4785 -1.4785 2.8207 2.8207 2.8211 2.8211 3.1671 3.1671 3.1672 3.1672 3.2393 3.2393 4.8290 4.8290 7.4975 7.4975 7.5083 7.5083 7.5120 7.5120 12.9418 12.9418 13.0640 13.0640 14.1118 14.1118 14.2053 14.2053 14.3496 14.3496 18.4044 18.4044 k = 0.0000 0.0610-0.0000 ( 3115 PWs) bands (ev): -64.0240 -64.0240 -64.0015 -64.0015 -64.0013 -64.0013 -30.9890 -30.9890 -30.9885 -30.9885 -30.9301 -30.9301 -30.7149 -30.7149 -30.7147 -30.7147 -30.6931 -30.6931 -30.6902 -30.6902 -30.6084 -30.6084 -30.6077 -30.6077 -1.4700 -1.4700 2.8208 2.8208 2.8214 2.8214 3.1669 3.1669 3.1672 3.1672 3.2386 3.2386 4.8088 4.8088 7.4998 7.4998 7.5152 7.5152 7.5194 7.5194 12.8885 12.8885 13.0743 13.0743 14.0854 14.0854 14.1741 14.1741 14.4058 14.4058 18.3919 18.3919 k = 0.0000 0.0732-0.0000 ( 3106 PWs) bands (ev): -64.0239 -64.0239 -64.0016 -64.0016 -64.0013 -64.0013 -30.9889 -30.9889 -30.9882 -30.9882 -30.9303 -30.9303 -30.7149 -30.7149 -30.7145 -30.7145 -30.6929 -30.6929 -30.6902 -30.6902 -30.6088 -30.6088 -30.6079 -30.6079 -1.4597 -1.4597 2.8209 2.8209 2.8218 2.8218 3.1668 3.1668 3.1672 3.1672 3.2380 3.2380 4.7843 4.7843 7.5027 7.5027 7.5240 7.5240 7.5284 7.5284 12.8270 12.8270 13.0869 13.0869 14.0512 14.0512 14.1366 14.1366 14.4737 14.4737 18.3787 18.3787 k = 0.0000 0.0854-0.0000 ( 3106 PWs) bands (ev): -64.0238 -64.0238 -64.0017 -64.0017 -64.0013 -64.0013 -30.9889 -30.9889 -30.9879 -30.9879 -30.9305 -30.9305 -30.7148 -30.7148 -30.7143 -30.7143 -30.6926 -30.6926 -30.6902 -30.6902 -30.6093 -30.6093 -30.6080 -30.6080 -1.4475 -1.4475 2.8210 2.8210 2.8221 2.8221 3.1666 3.1666 3.1672 3.1672 3.2372 3.2372 4.7556 4.7556 7.5064 7.5064 7.5344 7.5344 7.5390 7.5390 12.7585 12.7585 13.1017 13.1017 14.0101 14.0101 14.0931 14.0931 14.5514 14.5514 18.3656 18.3656 k = 0.0000 0.0976-0.0000 ( 3098 PWs) bands (ev): -64.0237 -64.0237 -64.0018 -64.0018 -64.0013 -64.0013 -30.9888 -30.9888 -30.9876 -30.9876 -30.9307 -30.9307 -30.7147 -30.7147 -30.7141 -30.7141 -30.6923 -30.6923 -30.6903 -30.6903 -30.6098 -30.6098 -30.6082 -30.6082 -1.4335 -1.4335 2.8212 2.8212 2.8225 2.8225 3.1664 3.1664 3.1671 3.1671 3.2363 3.2363 4.7229 4.7229 7.5111 7.5111 7.5465 7.5465 7.5511 7.5511 12.6840 12.6840 13.1187 13.1187 13.9629 13.9629 14.0441 14.0441 14.6378 14.6378 18.3535 18.3535 k = 0.0000 0.1098-0.0000 ( 3098 PWs) bands (ev): -64.0236 -64.0236 -64.0019 -64.0019 -64.0013 -64.0013 -30.9888 -30.9888 -30.9872 -30.9872 -30.9310 -30.9310 -30.7147 -30.7147 -30.7139 -30.7139 -30.6919 -30.6919 -30.6904 -30.6904 -30.6104 -30.6104 -30.6084 -30.6084 -1.4178 -1.4178 2.8213 2.8213 2.8229 2.8229 3.1661 3.1661 3.1671 3.1671 3.2353 3.2353 4.6864 4.6864 7.5170 7.5170 7.5600 7.5600 7.5647 7.5647 12.6043 12.6043 13.1379 13.1379 13.9103 13.9103 13.9899 13.9899 14.7320 14.7320 18.3427 18.3427 k = 0.0000 0.1220-0.0000 ( 3106 PWs) bands (ev): -64.0235 -64.0235 -64.0021 -64.0021 -64.0013 -64.0013 -30.9887 -30.9887 -30.9867 -30.9867 -30.9313 -30.9313 -30.7147 -30.7147 -30.7137 -30.7137 -30.6916 -30.6916 -30.6905 -30.6905 -30.6111 -30.6111 -30.6086 -30.6086 -1.4004 -1.4004 2.8215 2.8215 2.8231 2.8231 3.1656 3.1656 3.1670 3.1670 3.2343 3.2343 4.6463 4.6463 7.5243 7.5243 7.5751 7.5751 7.5797 7.5797 12.5200 12.5200 13.1592 13.1592 13.8527 13.8527 13.9310 13.9310 14.8331 14.8331 18.3340 18.3340 k = 0.0000 0.1341-0.0000 ( 3102 PWs) bands (ev): -64.0233 -64.0233 -64.0022 -64.0022 -64.0013 -64.0013 -30.9887 -30.9887 -30.9863 -30.9863 -30.9316 -30.9316 -30.7146 -30.7146 -30.7134 -30.7134 -30.6911 -30.6911 -30.6906 -30.6906 -30.6118 -30.6118 -30.6089 -30.6089 -1.3813 -1.3813 2.8217 2.8217 2.8234 2.8234 3.1651 3.1651 3.1668 3.1668 3.2332 3.2332 4.6028 4.6028 7.5333 7.5333 7.5916 7.5916 7.5961 7.5961 12.4318 12.4318 13.1827 13.1827 13.7907 13.7907 13.8679 13.8679 14.9407 14.9407 18.3277 18.3277 k = 0.0000 0.1463-0.0000 ( 3094 PWs) bands (ev): -64.0232 -64.0232 -64.0024 -64.0024 -64.0013 -64.0013 -30.9885 -30.9885 -30.9857 -30.9857 -30.9320 -30.9320 -30.7146 -30.7146 -30.7131 -30.7131 -30.6907 -30.6907 -30.6906 -30.6906 -30.6126 -30.6126 -30.6092 -30.6092 -1.3606 -1.3606 2.8219 2.8219 2.8235 2.8235 3.1644 3.1644 3.1667 3.1667 3.2320 3.2320 4.5562 4.5562 7.5440 7.5440 7.6095 7.6095 7.6140 7.6140 12.3400 12.3400 13.2083 13.2083 13.7249 13.7249 13.8011 13.8011 15.0543 15.0543 18.3243 18.3243 k = 0.0000 0.1585-0.0000 ( 3094 PWs) bands (ev): -64.0230 -64.0230 -64.0025 -64.0025 -64.0013 -64.0013 -30.9885 -30.9885 -30.9852 -30.9852 -30.9324 -30.9324 -30.7145 -30.7145 -30.7128 -30.7128 -30.6908 -30.6908 -30.6901 -30.6901 -30.6135 -30.6135 -30.6094 -30.6094 -1.3384 -1.3384 2.8221 2.8221 2.8235 2.8235 3.1635 3.1635 3.1665 3.1665 3.2308 3.2308 4.5068 4.5068 7.5567 7.5567 7.6286 7.6286 7.6331 7.6331 12.2452 12.2452 13.2359 13.2359 13.6558 13.6558 13.7311 13.7311 15.1736 15.1736 18.3237 18.3237 k = 0.0000 0.1707-0.0000 ( 3098 PWs) bands (ev): -64.0228 -64.0228 -64.0027 -64.0027 -64.0013 -64.0013 -30.9884 -30.9884 -30.9846 -30.9846 -30.9328 -30.9328 -30.7145 -30.7145 -30.7125 -30.7125 -30.6909 -30.6909 -30.6895 -30.6895 -30.6144 -30.6144 -30.6097 -30.6097 -1.3147 -1.3147 2.8223 2.8223 2.8233 2.8233 3.1623 3.1623 3.1663 3.1663 3.2296 3.2296 4.4550 4.4550 7.5713 7.5713 7.6490 7.6490 7.6534 7.6534 12.1477 12.1477 13.2655 13.2655 13.5840 13.5840 13.6584 13.6584 15.2980 15.2980 18.3262 18.3262 k = 0.0000 0.1829-0.0000 ( 3098 PWs) bands (ev): -64.0226 -64.0226 -64.0029 -64.0029 -64.0013 -64.0013 -30.9883 -30.9883 -30.9840 -30.9840 -30.9332 -30.9332 -30.7145 -30.7145 -30.7122 -30.7122 -30.6911 -30.6911 -30.6889 -30.6889 -30.6154 -30.6154 -30.6100 -30.6100 -1.2895 -1.2895 2.8225 2.8225 2.8229 2.8229 3.1608 3.1608 3.1661 3.1661 3.2284 3.2284 4.4011 4.4011 7.5882 7.5882 7.6705 7.6705 7.6748 7.6748 12.0480 12.0480 13.2970 13.2970 13.5098 13.5098 13.5834 13.5834 15.4274 15.4274 18.3319 18.3319 k = 0.0000 0.1951-0.0000 ( 3094 PWs) bands (ev): -64.0224 -64.0224 -64.0031 -64.0031 -64.0013 -64.0013 -30.9883 -30.9883 -30.9833 -30.9833 -30.9336 -30.9336 -30.7145 -30.7145 -30.7118 -30.7118 -30.6913 -30.6913 -30.6882 -30.6882 -30.6164 -30.6164 -30.6103 -30.6103 -1.2631 -1.2631 2.8223 2.8223 2.8227 2.8227 3.1590 3.1590 3.1658 3.1658 3.2272 3.2272 4.3455 4.3455 7.6072 7.6072 7.6931 7.6931 7.6973 7.6973 11.9464 11.9464 13.3303 13.3303 13.4337 13.4337 13.5067 13.5067 15.5614 15.5614 18.3407 18.3407 k = 0.0000 0.2073-0.0000 ( 3098 PWs) bands (ev): -64.0222 -64.0222 -64.0034 -64.0034 -64.0013 -64.0013 -30.9882 -30.9882 -30.9826 -30.9826 -30.9341 -30.9341 -30.7145 -30.7145 -30.7114 -30.7114 -30.6914 -30.6914 -30.6874 -30.6874 -30.6175 -30.6175 -30.6106 -30.6106 -1.2354 -1.2354 2.8213 2.8213 2.8229 2.8229 3.1567 3.1567 3.1654 3.1654 3.2260 3.2260 4.2888 4.2888 7.6286 7.6286 7.7167 7.7167 7.7207 7.7207 11.8433 11.8433 13.3563 13.3563 13.3654 13.3654 13.4287 13.4287 15.6997 15.6997 18.3525 18.3525 k = 0.0000 0.2195-0.0000 ( 3106 PWs) bands (ev): -64.0219 -64.0219 -64.0036 -64.0036 -64.0013 -64.0013 -30.9882 -30.9882 -30.9819 -30.9819 -30.9347 -30.9347 -30.7145 -30.7145 -30.7111 -30.7111 -30.6917 -30.6917 -30.6867 -30.6867 -30.6187 -30.6187 -30.6110 -30.6110 -1.2067 -1.2067 2.8200 2.8200 2.8231 2.8231 3.1539 3.1539 3.1650 3.1650 3.2248 3.2248 4.2312 4.2312 7.6522 7.6522 7.7412 7.7412 7.7451 7.7451 11.7388 11.7388 13.2780 13.2780 13.3498 13.3498 13.4023 13.4023 15.8419 15.8419 18.3674 18.3674 k = 0.0000 0.2317-0.0000 ( 3106 PWs) bands (ev): -64.0217 -64.0217 -64.0039 -64.0039 -64.0013 -64.0013 -30.9881 -30.9881 -30.9811 -30.9811 -30.9352 -30.9352 -30.7146 -30.7146 -30.7107 -30.7107 -30.6919 -30.6919 -30.6858 -30.6858 -30.6199 -30.6199 -30.6113 -30.6113 -1.1769 -1.1769 2.8184 2.8184 2.8234 2.8234 3.1504 3.1504 3.1646 3.1646 3.2237 3.2237 4.1733 4.1733 7.6782 7.6782 7.7665 7.7665 7.7701 7.7701 11.6336 11.6336 13.1992 13.1992 13.2706 13.2706 13.4407 13.4407 15.9878 15.9878 18.3852 18.3852 k = 0.0000 0.2439-0.0000 ( 3118 PWs) bands (ev): -64.0214 -64.0214 -64.0041 -64.0041 -64.0013 -64.0013 -30.9880 -30.9880 -30.9804 -30.9804 -30.9358 -30.9358 -30.7146 -30.7146 -30.7103 -30.7103 -30.6921 -30.6921 -30.6849 -30.6849 -30.6211 -30.6211 -30.6117 -30.6117 -1.1462 -1.1462 2.8163 2.8163 2.8235 2.8235 3.1462 3.1462 3.1640 3.1640 3.2226 3.2226 4.1157 4.1157 7.7065 7.7065 7.7923 7.7923 7.7958 7.7958 11.5278 11.5278 13.1204 13.1204 13.1913 13.1913 13.4805 13.4805 16.1371 16.1371 18.4057 18.4057 k = 0.0000 0.2561-0.0000 ( 3118 PWs) bands (ev): -64.0212 -64.0212 -64.0044 -64.0044 -64.0013 -64.0013 -30.9879 -30.9879 -30.9796 -30.9796 -30.9364 -30.9364 -30.7146 -30.7146 -30.7099 -30.7099 -30.6923 -30.6923 -30.6840 -30.6840 -30.6224 -30.6224 -30.6120 -30.6120 -1.1147 -1.1147 2.8138 2.8138 2.8237 2.8237 3.1412 3.1412 3.1635 3.1635 3.2215 3.2215 4.0589 4.0589 7.7372 7.7372 7.8188 7.8188 7.8221 7.8221 11.4217 11.4217 13.0419 13.0419 13.1125 13.1125 13.5217 13.5217 16.2895 16.2895 18.4288 18.4288 k = 0.0000 0.2683-0.0000 ( 3114 PWs) bands (ev): -64.0209 -64.0209 -64.0046 -64.0046 -64.0013 -64.0013 -30.9879 -30.9879 -30.9787 -30.9787 -30.9370 -30.9370 -30.7147 -30.7147 -30.7094 -30.7094 -30.6926 -30.6926 -30.6829 -30.6829 -30.6237 -30.6237 -30.6123 -30.6123 -1.0827 -1.0827 2.8106 2.8106 2.8239 2.8239 3.1351 3.1351 3.1629 3.1629 3.2206 3.2206 4.0033 4.0033 7.7700 7.7700 7.8457 7.8457 7.8488 7.8488 11.3157 11.3157 12.9643 12.9643 13.0345 13.0345 13.5641 13.5641 16.4447 16.4447 18.4544 18.4544 k = 0.0000 0.2805-0.0000 ( 3122 PWs) bands (ev): -64.0206 -64.0206 -64.0049 -64.0049 -64.0013 -64.0013 -30.9878 -30.9878 -30.9779 -30.9779 -30.9376 -30.9376 -30.7147 -30.7147 -30.7090 -30.7090 -30.6929 -30.6929 -30.6819 -30.6819 -30.6251 -30.6251 -30.6127 -30.6127 -1.0502 -1.0502 2.8068 2.8068 2.8241 2.8241 3.1279 3.1279 3.1622 3.1622 3.2197 3.2197 3.9496 3.9496 7.8051 7.8051 7.8728 7.8728 7.8756 7.8756 11.2100 11.2100 12.8877 12.8877 12.9577 12.9577 13.6076 13.6076 16.6024 16.6024 18.4821 18.4821 k = 0.0000 0.2927-0.0000 ( 3114 PWs) bands (ev): -64.0204 -64.0204 -64.0052 -64.0052 -64.0013 -64.0013 -30.9877 -30.9877 -30.9770 -30.9770 -30.9383 -30.9383 -30.7148 -30.7148 -30.7085 -30.7085 -30.6931 -30.6931 -30.6808 -30.6808 -30.6265 -30.6265 -30.6130 -30.6130 -1.0174 -1.0174 2.8022 2.8022 2.8243 2.8243 3.1197 3.1197 3.1616 3.1616 3.2189 3.2189 3.8983 3.8983 7.8422 7.8422 7.9002 7.9002 7.9027 7.9027 11.1050 11.1050 12.8127 12.8127 12.8825 12.8825 13.6520 13.6520 16.7623 16.7623 18.4076 18.4076 k = 0.0000 0.3049-0.0000 ( 3114 PWs) bands (ev): -64.0201 -64.0201 -64.0055 -64.0055 -64.0013 -64.0013 -30.9877 -30.9877 -30.9761 -30.9761 -30.9390 -30.9390 -30.7149 -30.7149 -30.7080 -30.7080 -30.6934 -30.6934 -30.6796 -30.6796 -30.6280 -30.6280 -30.6133 -30.6133 -0.9846 -0.9846 2.7967 2.7967 2.8244 2.8244 3.1101 3.1101 3.1609 3.1609 3.2182 3.2182 3.8500 3.8500 7.8813 7.8813 7.9275 7.9275 7.9296 7.9296 11.0009 11.0009 12.7395 12.7395 12.8092 12.8092 13.6969 13.6969 16.9242 16.9242 18.2916 18.2916 k = 0.0000 0.3171-0.0000 ( 3106 PWs) bands (ev): -64.0198 -64.0198 -64.0058 -64.0058 -64.0013 -64.0013 -30.9875 -30.9875 -30.9752 -30.9752 -30.9397 -30.9397 -30.7149 -30.7149 -30.7074 -30.7074 -30.6936 -30.6936 -30.6784 -30.6784 -30.6294 -30.6294 -30.6137 -30.6137 -0.9519 -0.9519 2.7903 2.7903 2.8246 2.8246 3.0995 3.0995 3.1601 3.1601 3.2176 3.2176 3.8050 3.8050 7.9222 7.9222 7.9546 7.9546 7.9564 7.9564 10.8982 10.8982 12.6686 12.6686 12.7382 12.7382 13.7424 13.7424 17.0876 17.0876 18.1789 18.1789 k = 0.0000 0.3293-0.0000 ( 3118 PWs) bands (ev): -64.0195 -64.0195 -64.0061 -64.0061 -64.0013 -64.0013 -30.9875 -30.9875 -30.9744 -30.9744 -30.9404 -30.9404 -30.7150 -30.7150 -30.7069 -30.7069 -30.6940 -30.6940 -30.6772 -30.6772 -30.6309 -30.6309 -30.6140 -30.6140 -0.9195 -0.9195 2.7826 2.7826 2.8247 2.8247 3.0877 3.0877 3.1594 3.1594 3.2169 3.2169 3.7637 3.7637 7.9643 7.9643 7.9817 7.9817 7.9827 7.9827 10.7971 10.7971 12.6002 12.6002 12.6698 12.6698 13.7879 13.7879 17.2524 17.2524 18.0700 18.0700 k = 0.0000 0.3415-0.0000 ( 3118 PWs) bands (ev): -64.0192 -64.0192 -64.0064 -64.0064 -64.0013 -64.0013 -30.9874 -30.9874 -30.9735 -30.9735 -30.9411 -30.9411 -30.7151 -30.7151 -30.7064 -30.7064 -30.6943 -30.6943 -30.6759 -30.6759 -30.6324 -30.6324 -30.6143 -30.6143 -0.8877 -0.8877 2.7738 2.7738 2.8248 2.8248 3.0751 3.0751 3.1586 3.1586 3.2164 3.2164 3.7264 3.7264 8.0038 8.0038 8.0084 8.0084 8.0123 8.0123 10.6980 10.6980 12.5347 12.5347 12.6043 12.6043 13.8332 13.8332 17.4181 17.4181 17.9651 17.9651 k = 0.0000 0.3537-0.0000 ( 3118 PWs) bands (ev): -64.0189 -64.0189 -64.0067 -64.0067 -64.0013 -64.0013 -30.9873 -30.9873 -30.9725 -30.9725 -30.9418 -30.9418 -30.7151 -30.7151 -30.7059 -30.7059 -30.6946 -30.6946 -30.6746 -30.6746 -30.6340 -30.6340 -30.6146 -30.6146 -0.8567 -0.8567 2.7636 2.7636 2.8249 2.8249 3.0620 3.0620 3.1579 3.1579 3.2160 3.2160 3.6932 3.6932 8.0313 8.0313 8.0334 8.0334 8.0554 8.0554 10.6012 10.6012 12.4725 12.4725 12.5421 12.5421 13.8781 13.8781 17.5846 17.5846 17.8648 17.8648 k = 0.0000 0.3659-0.0000 ( 3118 PWs) bands (ev): -64.0186 -64.0186 -64.0069 -64.0069 -64.0013 -64.0013 -30.9873 -30.9873 -30.9717 -30.9717 -30.9426 -30.9426 -30.7152 -30.7152 -30.7054 -30.7054 -30.6950 -30.6950 -30.6733 -30.6733 -30.6356 -30.6356 -30.6149 -30.6149 -0.8268 -0.8268 2.7521 2.7521 2.8250 2.8250 3.0488 3.0488 3.1571 3.1571 3.2156 3.2156 3.6642 3.6642 8.0560 8.0560 8.0574 8.0574 8.1011 8.1011 10.5074 10.5074 12.4138 12.4138 12.4835 12.4835 13.9220 13.9220 17.7513 17.7513 17.7696 17.7696 k = 0.0000 0.3780-0.0000 ( 3118 PWs) bands (ev): -64.0183 -64.0183 -64.0072 -64.0072 -64.0013 -64.0013 -30.9872 -30.9872 -30.9708 -30.9708 -30.9433 -30.9433 -30.7153 -30.7153 -30.7049 -30.7049 -30.6953 -30.6953 -30.6719 -30.6719 -30.6371 -30.6371 -30.6151 -30.6151 -0.7982 -0.7982 2.7393 2.7393 2.8251 2.8251 3.0360 3.0360 3.1565 3.1565 3.2153 3.2153 3.6391 3.6391 8.0792 8.0792 8.0802 8.0802 8.1475 8.1475 10.4169 10.4169 12.3589 12.3589 12.4287 12.4287 13.9647 13.9647 17.6799 17.6799 17.9178 17.9178 k = 0.0000 0.3902-0.0000 ( 3122 PWs) bands (ev): -64.0180 -64.0180 -64.0075 -64.0075 -64.0013 -64.0013 -30.9872 -30.9872 -30.9699 -30.9699 -30.9440 -30.9440 -30.7154 -30.7154 -30.7044 -30.7044 -30.6957 -30.6957 -30.6706 -30.6706 -30.6387 -30.6387 -30.6154 -30.6154 -0.7712 -0.7712 2.7254 2.7254 2.8252 2.8252 3.0238 3.0238 3.1558 3.1558 3.2150 3.2150 3.6178 3.6178 8.1010 8.1010 8.1016 8.1016 8.1940 8.1940 10.3303 10.3303 12.3083 12.3083 12.3781 12.3781 14.0056 14.0056 17.5962 17.5962 18.0835 18.0835 k = 0.0000 0.4024-0.0000 ( 3114 PWs) bands (ev): -64.0178 -64.0178 -64.0078 -64.0078 -64.0013 -64.0013 -30.9871 -30.9871 -30.9690 -30.9690 -30.9447 -30.9447 -30.7154 -30.7154 -30.7038 -30.7038 -30.6960 -30.6960 -30.6691 -30.6691 -30.6403 -30.6403 -30.6155 -30.6155 -0.7460 -0.7460 2.7110 2.7110 2.8253 2.8253 3.0128 3.0128 3.1552 3.1552 3.2147 3.2147 3.5999 3.5999 8.1212 8.1212 8.1216 8.1216 8.2398 8.2398 10.2484 10.2484 12.2621 12.2621 12.3321 12.3321 14.0443 14.0443 17.5191 17.5191 18.2481 18.2481 k = 0.0000 0.4146-0.0000 ( 3114 PWs) bands (ev): -64.0175 -64.0175 -64.0080 -64.0080 -64.0013 -64.0013 -30.9871 -30.9871 -30.9683 -30.9683 -30.9454 -30.9454 -30.7155 -30.7155 -30.7033 -30.7033 -30.6964 -30.6964 -30.6677 -30.6677 -30.6418 -30.6418 -30.6157 -30.6157 -0.7231 -0.7231 2.6963 2.6963 2.8254 2.8254 3.0030 3.0030 3.1546 3.1546 3.2145 3.2145 3.5850 3.5850 8.1396 8.1396 8.1396 8.1396 8.2842 8.2842 10.1719 10.1719 12.2206 12.2206 12.2907 12.2907 14.0803 14.0803 17.4491 17.4491 18.4104 18.4104 k = 0.0000 0.4268-0.0000 ( 3106 PWs) bands (ev): -64.0173 -64.0173 -64.0082 -64.0082 -64.0013 -64.0013 -30.9870 -30.9870 -30.9675 -30.9675 -30.9461 -30.9461 -30.7155 -30.7155 -30.7028 -30.7028 -30.6968 -30.6968 -30.6663 -30.6663 -30.6434 -30.6434 -30.6159 -30.6159 -0.7025 -0.7025 2.6819 2.6819 2.8254 2.8254 2.9946 2.9946 3.1542 3.1542 3.2144 3.2144 3.5729 3.5729 8.1557 8.1557 8.1559 8.1559 8.3265 8.3265 10.1018 10.1018 12.1840 12.1840 12.2543 12.2543 14.1129 14.1129 17.3870 17.3870 18.5693 18.5693 k = 0.0000 0.4390-0.0000 ( 3106 PWs) bands (ev): -64.0171 -64.0171 -64.0084 -64.0084 -64.0013 -64.0013 -30.9870 -30.9870 -30.9668 -30.9668 -30.9466 -30.9466 -30.7155 -30.7155 -30.7023 -30.7023 -30.6972 -30.6972 -30.6649 -30.6649 -30.6448 -30.6448 -30.6161 -30.6161 -0.6846 -0.6846 2.6685 2.6685 2.8255 2.8255 2.9876 2.9876 3.1537 3.1537 3.2143 3.2143 3.5633 3.5633 8.1697 8.1697 8.1701 8.1701 8.3654 8.3654 10.0392 10.0392 12.1527 12.1527 12.2230 12.2230 14.1417 14.1417 17.3331 17.3331 18.7229 18.7229 k = 0.0000 0.4512-0.0000 ( 3122 PWs) bands (ev): -64.0169 -64.0169 -64.0086 -64.0086 -64.0013 -64.0013 -30.9870 -30.9870 -30.9663 -30.9663 -30.9472 -30.9472 -30.7156 -30.7156 -30.7018 -30.7018 -30.6977 -30.6977 -30.6636 -30.6636 -30.6463 -30.6463 -30.6162 -30.6162 -0.6697 -0.6697 2.6566 2.6566 2.8255 2.8255 2.9820 2.9820 3.1533 3.1533 3.2142 3.2142 3.5556 3.5556 8.1812 8.1812 8.1819 8.1819 8.3999 8.3999 9.9852 9.9852 12.1267 12.1267 12.1972 12.1972 14.1660 14.1660 17.2880 17.2880 18.8675 18.8675 k = 0.0000 0.4634-0.0000 ( 3122 PWs) bands (ev): -64.0168 -64.0168 -64.0088 -64.0088 -64.0013 -64.0013 -30.9870 -30.9870 -30.9658 -30.9658 -30.9476 -30.9476 -30.7156 -30.7156 -30.7014 -30.7014 -30.6981 -30.6981 -30.6624 -30.6624 -30.6476 -30.6476 -30.6163 -30.6163 -0.6578 -0.6578 2.6468 2.6468 2.8255 2.8255 2.9777 2.9777 3.1530 3.1530 3.2141 3.2141 3.5500 3.5500 8.1904 8.1904 8.1912 8.1912 8.4287 8.4287 9.9413 9.9413 12.1063 12.1063 12.1769 12.1769 14.1856 14.1856 17.2524 17.2524 18.9420 18.9420 k = 0.0000 0.4756-0.0000 ( 3114 PWs) bands (ev): -64.0167 -64.0167 -64.0089 -64.0089 -64.0013 -64.0013 -30.9870 -30.9870 -30.9654 -30.9654 -30.9479 -30.9479 -30.7156 -30.7156 -30.7009 -30.7009 -30.6985 -30.6985 -30.6614 -30.6614 -30.6486 -30.6486 -30.6163 -30.6163 -0.6492 -0.6492 2.6395 2.6395 2.8256 2.8256 2.9747 2.9747 3.1529 3.1529 3.2141 3.2141 3.5461 3.5461 8.1971 8.1971 8.1980 8.1980 8.4504 8.4504 9.9087 9.9087 12.0917 12.0917 12.1623 12.1623 14.1999 14.1999 17.2267 17.2267 18.9561 18.9561 k = 0.0000 0.4878-0.0000 ( 3114 PWs) bands (ev): -64.0166 -64.0166 -64.0089 -64.0089 -64.0013 -64.0013 -30.9870 -30.9870 -30.9652 -30.9652 -30.9481 -30.9481 -30.7157 -30.7157 -30.7006 -30.7006 -30.6988 -30.6988 -30.6607 -30.6607 -30.6494 -30.6494 -30.6164 -30.6164 -0.6440 -0.6440 2.6349 2.6349 2.8256 2.8256 2.9729 2.9729 3.1527 3.1527 3.2140 3.2140 3.5438 3.5438 8.2011 8.2011 8.2021 8.2021 8.4639 8.4639 9.8887 9.8887 12.0829 12.0829 12.1535 12.1535 14.2086 14.2086 17.2111 17.2111 18.9642 18.9643 k = 0.0000 0.5000-0.0000 ( 3082 PWs) bands (ev): -64.0165 -64.0165 -64.0089 -64.0089 -64.0013 -64.0013 -30.9870 -30.9870 -30.9650 -30.9650 -30.9480 -30.9480 -30.7156 -30.7156 -30.7004 -30.7004 -30.6989 -30.6989 -30.6603 -30.6603 -30.6495 -30.6495 -30.6163 -30.6163 -0.6422 -0.6422 2.6335 2.6335 2.8256 2.8256 2.9725 2.9725 3.1528 3.1528 3.2141 3.2141 3.5432 3.5432 8.2025 8.2025 8.2035 8.2035 8.4686 8.4686 9.8820 9.8820 12.0799 12.0799 12.1506 12.1506 14.2116 14.2116 17.2058 17.2058 18.9671 18.9671 k = 0.0000 0.5000-0.0000 ( 3082 PWs) bands (ev): -64.0165 -64.0165 -64.0089 -64.0089 -64.0013 -64.0013 -30.9870 -30.9870 -30.9650 -30.9650 -30.9480 -30.9480 -30.7156 -30.7156 -30.7004 -30.7004 -30.6989 -30.6989 -30.6603 -30.6603 -30.6495 -30.6495 -30.6163 -30.6163 -0.6422 -0.6422 2.6335 2.6335 2.8256 2.8256 2.9725 2.9725 3.1528 3.1528 3.2141 3.2141 3.5432 3.5432 8.2025 8.2025 8.2035 8.2035 8.4686 8.4686 9.8820 9.8820 12.0799 12.0799 12.1506 12.1506 14.2116 14.2116 17.2058 17.2058 18.9671 18.9671 k = 0.0122 0.5000-0.0000 ( 3110 PWs) bands (ev): -64.0165 -64.0165 -64.0090 -64.0090 -64.0013 -64.0013 -30.9870 -30.9870 -30.9651 -30.9651 -30.9481 -30.9481 -30.7156 -30.7156 -30.7007 -30.7007 -30.6987 -30.6987 -30.6605 -30.6605 -30.6495 -30.6495 -30.6164 -30.6164 -0.6415 -0.6415 2.6342 2.6342 2.8256 2.8256 2.9727 2.9727 3.1528 3.1528 3.2140 3.2140 3.5435 3.5435 8.1657 8.1657 8.2032 8.2032 8.5054 8.5054 9.8759 9.8759 12.0775 12.0775 12.1483 12.1483 14.2247 14.2247 17.2058 17.2058 18.9355 18.9355 k = 0.0244 0.5000-0.0000 ( 3118 PWs) bands (ev): -64.0165 -64.0165 -64.0090 -64.0090 -64.0013 -64.0013 -30.9869 -30.9869 -30.9652 -30.9652 -30.9482 -30.9482 -30.7156 -30.7156 -30.7013 -30.7013 -30.6981 -30.6981 -30.6607 -30.6607 -30.6494 -30.6494 -30.6164 -30.6164 -0.6395 -0.6395 2.6365 2.6365 2.8258 2.8258 2.9734 2.9734 3.1529 3.1529 3.2139 3.2139 3.5446 3.5446 8.0851 8.0851 8.2038 8.2038 8.5850 8.5850 9.8579 9.8579 12.0685 12.0685 12.1441 12.1441 14.2635 14.2635 17.2054 17.2054 18.8435 18.8435 k = 0.0366 0.5000-0.0000 ( 3118 PWs) bands (ev): -64.0165 -64.0165 -64.0090 -64.0090 -64.0013 -64.0013 -30.9869 -30.9869 -30.9652 -30.9652 -30.9483 -30.9483 -30.7156 -30.7156 -30.7019 -30.7019 -30.6974 -30.6974 -30.6610 -30.6610 -30.6492 -30.6492 -30.6163 -30.6163 -0.6362 -0.6362 2.6404 2.6404 2.8260 2.8260 2.9747 2.9747 3.1533 3.1533 3.2138 3.2138 3.5465 3.5465 7.9901 7.9901 8.2048 8.2048 8.6782 8.6782 9.8280 9.8280 12.0496 12.0496 12.1431 12.1431 14.3259 14.3259 17.2043 17.2043 18.7235 18.7235 k = 0.0488 0.5000-0.0000 ( 3130 PWs) bands (ev): -64.0165 -64.0165 -64.0090 -64.0090 -64.0014 -64.0014 -30.9868 -30.9868 -30.9653 -30.9653 -30.9484 -30.9484 -30.7156 -30.7156 -30.7026 -30.7026 -30.6967 -30.6967 -30.6614 -30.6614 -30.6490 -30.6490 -30.6163 -30.6163 -0.6315 -0.6315 2.6457 2.6457 2.8264 2.8264 2.9766 2.9766 3.1537 3.1537 3.2135 3.2135 3.5491 3.5491 7.8896 7.8896 8.2062 8.2062 8.7763 8.7763 9.7863 9.7863 12.0208 12.0208 12.1477 12.1477 14.4091 14.4091 17.2019 17.2019 18.5916 18.5916 k = 0.0610 0.5000-0.0000 ( 3130 PWs) bands (ev): -64.0164 -64.0164 -64.0090 -64.0090 -64.0014 -64.0014 -30.9867 -30.9867 -30.9654 -30.9654 -30.9486 -30.9486 -30.7156 -30.7156 -30.7032 -30.7032 -30.6961 -30.6961 -30.6618 -30.6618 -30.6487 -30.6487 -30.6162 -30.6162 -0.6256 -0.6256 2.6524 2.6524 2.8268 2.8268 2.9790 2.9790 3.1543 3.1543 3.2133 3.2133 3.5527 3.5527 7.7868 7.7868 8.2081 8.2081 8.8760 8.8760 9.7332 9.7332 11.9854 11.9854 12.1575 12.1575 14.5099 14.5099 17.1972 17.1972 18.4552 18.4552 k = 0.0732 0.5000-0.0000 ( 3130 PWs) bands (ev): -64.0164 -64.0164 -64.0090 -64.0090 -64.0015 -64.0015 -30.9865 -30.9865 -30.9655 -30.9655 -30.9487 -30.9487 -30.7156 -30.7156 -30.7038 -30.7038 -30.6954 -30.6954 -30.6622 -30.6622 -30.6483 -30.6483 -30.6161 -30.6161 -0.6183 -0.6183 2.6604 2.6604 2.8274 2.8274 2.9821 2.9821 3.1550 3.1550 3.2130 3.2130 3.5571 3.5571 7.6828 7.6828 8.2103 8.2103 8.9766 8.9766 9.6690 9.6690 11.9469 11.9469 12.1715 12.1715 14.6251 14.6251 17.1891 17.1891 18.3176 18.3176 k = 0.0854 0.5000-0.0000 ( 3130 PWs) bands (ev): -64.0163 -64.0163 -64.0090 -64.0090 -64.0015 -64.0015 -30.9864 -30.9864 -30.9656 -30.9656 -30.9489 -30.9489 -30.7156 -30.7156 -30.7044 -30.7044 -30.6947 -30.6947 -30.6627 -30.6627 -30.6480 -30.6480 -30.6160 -30.6160 -0.6098 -0.6098 2.6696 2.6696 2.8281 2.8281 2.9859 2.9859 3.1559 3.1559 3.2127 3.2127 3.5625 3.5625 7.5781 7.5781 8.2129 8.2129 9.0771 9.0771 9.5942 9.5942 11.9079 11.9079 12.1890 12.1890 14.7519 14.7519 17.1762 17.1762 18.1805 18.1805 k = 0.0976 0.5000-0.0000 ( 3124 PWs) bands (ev): -64.0162 -64.0162 -64.0090 -64.0090 -64.0016 -64.0016 -30.9861 -30.9861 -30.9658 -30.9658 -30.9491 -30.9491 -30.7156 -30.7156 -30.7049 -30.7049 -30.6940 -30.6940 -30.6633 -30.6633 -30.6476 -30.6476 -30.6159 -30.6159 -0.6001 -0.6001 2.6797 2.6797 2.8290 2.8290 2.9904 2.9904 3.1569 3.1569 3.2124 3.2124 3.5689 3.5689 7.4733 7.4733 8.2160 8.2160 9.1776 9.1776 9.5097 9.5097 11.8703 11.8703 12.2097 12.2097 14.8878 14.8878 17.1571 17.1571 18.0448 18.0448 k = 0.1098 0.5000-0.0000 ( 3124 PWs) bands (ev): -64.0161 -64.0161 -64.0090 -64.0090 -64.0017 -64.0017 -30.9859 -30.9859 -30.9659 -30.9659 -30.9493 -30.9493 -30.7156 -30.7156 -30.7054 -30.7054 -30.6934 -30.6934 -30.6638 -30.6638 -30.6472 -30.6472 -30.6157 -30.6157 -0.5892 -0.5892 2.6906 2.6906 2.8300 2.8300 2.9957 2.9957 3.1581 3.1581 3.2120 3.2120 3.5765 3.5765 7.3685 7.3685 8.2193 8.2193 9.2776 9.2776 9.4162 9.4162 11.8352 11.8352 12.2335 12.2335 15.0303 15.0303 17.1305 17.1305 17.9111 17.9111 k = 0.1220 0.5000-0.0000 ( 3120 PWs) bands (ev): -64.0160 -64.0160 -64.0090 -64.0090 -64.0018 -64.0018 -30.9857 -30.9857 -30.9661 -30.9661 -30.9495 -30.9495 -30.7156 -30.7156 -30.7059 -30.7059 -30.6927 -30.6927 -30.6643 -30.6643 -30.6469 -30.6469 -30.6155 -30.6155 -0.5771 -0.5771 2.7021 2.7021 2.8311 2.8311 3.0019 3.0019 3.1595 3.1595 3.2116 3.2116 3.5855 3.5855 7.2640 7.2640 8.2230 8.2230 9.3130 9.3130 9.3786 9.3786 11.8033 11.8033 12.2601 12.2601 15.1773 15.1773 17.0951 17.0951 17.7799 17.7799 k = 0.1341 0.5000-0.0000 ( 3122 PWs) bands (ev): -64.0159 -64.0159 -64.0090 -64.0090 -64.0019 -64.0019 -30.9854 -30.9854 -30.9663 -30.9663 -30.9498 -30.9498 -30.7157 -30.7157 -30.7063 -30.7063 -30.6922 -30.6922 -30.6649 -30.6649 -30.6466 -30.6466 -30.6153 -30.6153 -0.5640 -0.5640 2.7139 2.7139 2.8324 2.8324 3.0089 3.0089 3.1610 3.1610 3.2112 3.2112 3.5958 3.5958 7.1600 7.1600 8.2270 8.2270 9.2045 9.2045 9.4773 9.4773 11.7749 11.7749 12.2897 12.2897 15.3271 15.3271 17.0504 17.0504 17.6515 17.6515 k = 0.1463 0.5000-0.0000 ( 3118 PWs) bands (ev): -64.0158 -64.0158 -64.0090 -64.0090 -64.0021 -64.0021 -30.9851 -30.9851 -30.9665 -30.9665 -30.9501 -30.9501 -30.7158 -30.7158 -30.7067 -30.7067 -30.6916 -30.6916 -30.6654 -30.6654 -30.6463 -30.6463 -30.6151 -30.6151 -0.5498 -0.5498 2.7259 2.7259 2.8339 2.8339 3.0168 3.0168 3.1628 3.1628 3.2108 3.2108 3.6077 3.6077 7.0566 7.0566 8.2313 8.2313 9.0891 9.0891 9.5760 9.5760 11.7502 11.7502 12.3221 12.3221 15.4777 15.4777 16.9960 16.9960 17.5260 17.5260 k = 0.1585 0.5000-0.0000 ( 3112 PWs) bands (ev): -64.0156 -64.0156 -64.0089 -64.0089 -64.0022 -64.0022 -30.9848 -30.9848 -30.9667 -30.9667 -30.9504 -30.9504 -30.7159 -30.7159 -30.7070 -30.7070 -30.6911 -30.6911 -30.6658 -30.6658 -30.6461 -30.6461 -30.6148 -30.6148 -0.5346 -0.5346 2.7376 2.7376 2.8355 2.8355 3.0257 3.0257 3.1648 3.1648 3.2105 3.2105 3.6215 3.6215 6.9541 6.9541 8.2359 8.2359 8.9682 8.9682 9.6742 9.6742 11.7290 11.7290 12.3572 12.3572 15.6273 15.6273 16.9323 16.9323 17.4036 17.4036 k = 0.1707 0.5000-0.0000 ( 3112 PWs) bands (ev): -64.0155 -64.0155 -64.0089 -64.0089 -64.0023 -64.0023 -30.9845 -30.9845 -30.9669 -30.9669 -30.9508 -30.9508 -30.7160 -30.7160 -30.7072 -30.7072 -30.6906 -30.6906 -30.6663 -30.6663 -30.6459 -30.6459 -30.6146 -30.6146 -0.5186 -0.5186 2.7489 2.7489 2.8375 2.8375 3.0354 3.0354 3.1670 3.1670 3.2101 3.2101 3.6372 3.6372 6.8525 6.8525 8.2407 8.2407 8.8428 8.8428 9.7718 9.7718 11.7112 11.7112 12.3951 12.3951 15.7739 15.7739 16.8598 16.8598 17.2845 17.2845 k = 0.1829 0.5000-0.0000 ( 3116 PWs) bands (ev): -64.0153 -64.0153 -64.0089 -64.0089 -64.0025 -64.0025 -30.9841 -30.9841 -30.9671 -30.9671 -30.9512 -30.9512 -30.7162 -30.7162 -30.7074 -30.7074 -30.6902 -30.6902 -30.6667 -30.6667 -30.6457 -30.6457 -30.6143 -30.6143 -0.5017 -0.5017 2.7595 2.7595 2.8396 2.8396 3.0459 3.0459 3.1695 3.1695 3.2098 3.2098 3.6552 3.6552 6.7521 6.7521 8.2458 8.2458 8.7136 8.7136 9.8688 9.8688 11.6964 11.6964 12.4356 12.4356 15.9158 15.9158 16.7795 16.7795 17.1688 17.1688 k = 0.1951 0.5000-0.0000 ( 3108 PWs) bands (ev): -64.0152 -64.0152 -64.0089 -64.0089 -64.0026 -64.0026 -30.9837 -30.9837 -30.9674 -30.9674 -30.9515 -30.9515 -30.7164 -30.7164 -30.7074 -30.7074 -30.6898 -30.6898 -30.6671 -30.6671 -30.6456 -30.6456 -30.6139 -30.6139 -0.4840 -0.4840 2.7694 2.7694 2.8421 2.8421 3.0570 3.0570 3.1725 3.1725 3.2095 3.2095 3.6757 3.6757 6.6529 6.6529 8.2512 8.2512 8.5814 8.5814 9.9653 9.9653 11.6845 11.6845 12.4787 12.4787 16.0508 16.0508 16.6924 16.6924 17.0568 17.0568 k = 0.2073 0.5000-0.0000 ( 3114 PWs) bands (ev): -64.0150 -64.0150 -64.0089 -64.0089 -64.0028 -64.0028 -30.9834 -30.9834 -30.9676 -30.9676 -30.9520 -30.9520 -30.7166 -30.7166 -30.7075 -30.7075 -30.6896 -30.6896 -30.6674 -30.6674 -30.6455 -30.6455 -30.6136 -30.6136 -0.4656 -0.4656 2.7782 2.7782 2.8449 2.8449 3.0684 3.0684 3.1757 3.1757 3.2093 3.2093 3.6990 3.6990 6.5553 6.5553 8.2566 8.2566 8.4468 8.4468 10.0610 10.0610 11.6750 11.6750 12.5244 12.5244 16.1768 16.1768 16.5996 16.5996 16.9482 16.9482 k = 0.2195 0.5000-0.0000 ( 3114 PWs) bands (ev): -64.0148 -64.0148 -64.0089 -64.0089 -64.0030 -64.0030 -30.9829 -30.9829 -30.9679 -30.9679 -30.9524 -30.9524 -30.7169 -30.7169 -30.7075 -30.7075 -30.6893 -30.6893 -30.6677 -30.6677 -30.6455 -30.6455 -30.6133 -30.6133 -0.4467 -0.4467 2.7859 2.7859 2.8481 2.8481 3.0799 3.0799 3.1795 3.1795 3.2093 3.2093 3.7253 3.7253 6.4593 6.4593 8.2622 8.2622 8.3104 8.3104 10.1561 10.1561 11.6678 11.6678 12.5726 12.5726 16.2919 16.2919 16.5023 16.5023 16.8433 16.8433 k = 0.2317 0.5000-0.0000 ( 3122 PWs) bands (ev): -64.0146 -64.0146 -64.0089 -64.0089 -64.0032 -64.0032 -30.9825 -30.9825 -30.9681 -30.9681 -30.9529 -30.9529 -30.7172 -30.7172 -30.7074 -30.7074 -30.6891 -30.6891 -30.6679 -30.6679 -30.6455 -30.6455 -30.6129 -30.6129 -0.4272 -0.4272 2.7925 2.7925 2.8516 2.8516 3.0910 3.0910 3.1838 3.1838 3.2094 3.2094 3.7549 3.7549 6.3651 6.3651 8.1728 8.1728 8.2680 8.2680 10.2504 10.2504 11.6625 11.6625 12.6232 12.6232 16.3940 16.3940 16.4015 16.4015 16.7422 16.7422 k = 0.2439 0.5000-0.0000 ( 3114 PWs) bands (ev): -64.0144 -64.0144 -64.0089 -64.0089 -64.0034 -64.0034 -30.9821 -30.9821 -30.9683 -30.9683 -30.9534 -30.9534 -30.7175 -30.7175 -30.7072 -30.7072 -30.6890 -30.6890 -30.6680 -30.6680 -30.6455 -30.6455 -30.6125 -30.6125 -0.4074 -0.4074 2.7982 2.7982 2.8554 2.8554 3.1015 3.1015 3.1886 3.1886 3.2098 3.2098 3.7880 3.7880 6.2730 6.2730 8.0343 8.0343 8.2738 8.2738 10.3440 10.3440 11.6590 11.6590 12.6762 12.6762 16.2975 16.2975 16.4823 16.4823 16.6451 16.6451 k = 0.2561 0.5000-0.0000 ( 3114 PWs) bands (ev): -64.0142 -64.0142 -64.0089 -64.0089 -64.0036 -64.0036 -30.9816 -30.9816 -30.9686 -30.9686 -30.9539 -30.9539 -30.7178 -30.7178 -30.7071 -30.7071 -30.6889 -30.6889 -30.6682 -30.6682 -30.6455 -30.6455 -30.6121 -30.6121 -0.3873 -0.3873 2.8029 2.8029 2.8595 2.8595 3.1111 3.1111 3.1937 3.1937 3.2107 3.2107 3.8247 3.8247 6.1830 6.1830 7.8955 7.8955 8.2797 8.2797 10.4368 10.4368 11.6569 11.6569 12.7315 12.7315 16.1918 16.1918 16.5491 16.5491 16.5580 16.5580 k = 0.2683 0.5000-0.0000 ( 3122 PWs) bands (ev): -64.0140 -64.0140 -64.0089 -64.0089 -64.0038 -64.0038 -30.9811 -30.9811 -30.9688 -30.9688 -30.9544 -30.9544 -30.7181 -30.7181 -30.7068 -30.7068 -30.6889 -30.6889 -30.6682 -30.6682 -30.6457 -30.6457 -30.6118 -30.6118 -0.3670 -0.3670 2.8068 2.8068 2.8636 2.8636 3.1195 3.1195 3.1985 3.1985 3.2127 3.2127 3.8653 3.8653 6.0954 6.0954 7.7565 7.7565 8.2855 8.2855 10.5286 10.5286 11.6561 11.6561 12.7890 12.7890 16.0848 16.0848 16.4623 16.4623 16.6135 16.6135 k = 0.2805 0.5000-0.0000 ( 3118 PWs) bands (ev): -64.0138 -64.0138 -64.0089 -64.0089 -64.0040 -64.0040 -30.9806 -30.9806 -30.9690 -30.9690 -30.9549 -30.9549 -30.7184 -30.7184 -30.7066 -30.7066 -30.6890 -30.6890 -30.6682 -30.6682 -30.6458 -30.6458 -30.6114 -30.6114 -0.3466 -0.3466 2.8101 2.8101 2.8678 2.8678 3.1267 3.1267 3.2022 3.2022 3.2165 3.2165 3.9097 3.9097 6.0105 6.0105 7.6179 7.6179 8.2914 8.2914 10.6194 10.6194 11.6564 11.6564 12.8486 12.8486 15.9773 15.9773 16.3772 16.3772 16.6569 16.6569 k = 0.2927 0.5000-0.0000 ( 3124 PWs) bands (ev): -64.0136 -64.0136 -64.0089 -64.0089 -64.0043 -64.0043 -30.9801 -30.9801 -30.9693 -30.9693 -30.9555 -30.9555 -30.7187 -30.7187 -30.7063 -30.7063 -30.6891 -30.6891 -30.6682 -30.6682 -30.6459 -30.6459 -30.6110 -30.6110 -0.3263 -0.3263 2.8128 2.8128 2.8720 2.8720 3.1329 3.1329 3.2045 3.2045 3.2222 3.2222 3.9581 3.9581 5.9282 5.9282 7.4797 7.4797 8.2973 8.2973 10.7089 10.7089 11.6576 11.6576 12.9101 12.9101 15.8699 15.8699 16.2961 16.2961 16.6872 16.6872 k = 0.3049 0.5000-0.0000 ( 3128 PWs) bands (ev): -64.0133 -64.0133 -64.0089 -64.0089 -64.0045 -64.0045 -30.9796 -30.9796 -30.9695 -30.9695 -30.9561 -30.9561 -30.7191 -30.7191 -30.7060 -30.7060 -30.6893 -30.6893 -30.6682 -30.6682 -30.6461 -30.6461 -30.6107 -30.6107 -0.3061 -0.3061 2.8150 2.8150 2.8762 2.8762 3.1380 3.1380 3.2058 3.2058 3.2291 3.2291 4.0105 4.0105 5.8490 5.8490 7.3423 7.3423 8.3029 8.3029 10.7972 10.7972 11.6595 11.6595 12.9734 12.9734 15.7631 15.7631 16.2193 16.2193 16.7060 16.7060 k = 0.3171 0.5000-0.0000 ( 3128 PWs) bands (ev): -64.0131 -64.0131 -64.0089 -64.0089 -64.0048 -64.0048 -30.9791 -30.9791 -30.9697 -30.9697 -30.9567 -30.9567 -30.7194 -30.7194 -30.7056 -30.7056 -30.6895 -30.6895 -30.6681 -30.6681 -30.6463 -30.6463 -30.6103 -30.6103 -0.2863 -0.2863 2.8170 2.8170 2.8803 2.8803 3.1422 3.1422 3.2069 3.2069 3.2364 3.2364 4.0667 4.0667 5.7730 5.7730 7.2059 7.2059 8.3086 8.3086 10.8839 10.8839 11.6621 11.6621 13.0383 13.0383 15.6575 15.6575 16.1468 16.1468 16.7154 16.7154 k = 0.3293 0.5000-0.0000 ( 3126 PWs) bands (ev): -64.0128 -64.0128 -64.0089 -64.0089 -64.0050 -64.0050 -30.9786 -30.9786 -30.9698 -30.9698 -30.9573 -30.9573 -30.7196 -30.7196 -30.7053 -30.7053 -30.6897 -30.6897 -30.6679 -30.6679 -30.6465 -30.6465 -30.6099 -30.6099 -0.2669 -0.2669 2.8186 2.8186 2.8842 2.8842 3.1458 3.1458 3.2078 3.2078 3.2437 3.2437 4.1267 4.1267 5.7004 5.7004 7.0708 7.0708 8.3141 8.3141 10.9688 10.9688 11.6651 11.6651 13.1047 13.1047 15.5537 15.5537 16.0787 16.0787 16.7170 16.7170 k = 0.3415 0.5000-0.0000 ( 3126 PWs) bands (ev): -64.0126 -64.0126 -64.0089 -64.0089 -64.0053 -64.0053 -30.9781 -30.9781 -30.9699 -30.9699 -30.9579 -30.9579 -30.7199 -30.7199 -30.7049 -30.7049 -30.6900 -30.6900 -30.6678 -30.6678 -30.6467 -30.6467 -30.6096 -30.6096 -0.2481 -0.2481 2.8201 2.8201 2.8880 2.8880 3.1488 3.1488 3.2087 3.2087 3.2508 3.2508 4.1905 4.1905 5.6314 5.6314 6.9370 6.9370 8.3194 8.3194 11.0516 11.0516 11.6685 11.6685 13.1721 13.1721 15.4523 15.4523 16.0150 16.0150 16.7126 16.7126 k = 0.3537 0.5000-0.0000 ( 3126 PWs) bands (ev): -64.0123 -64.0123 -64.0089 -64.0089 -64.0055 -64.0055 -30.9775 -30.9775 -30.9700 -30.9700 -30.9586 -30.9586 -30.7202 -30.7202 -30.7045 -30.7045 -30.6903 -30.6903 -30.6676 -30.6676 -30.6469 -30.6469 -30.6093 -30.6093 -0.2300 -0.2300 2.8213 2.8213 2.8916 2.8916 3.1514 3.1514 3.2097 3.2097 3.2575 3.2575 4.2578 4.2578 5.5663 5.5663 6.8048 6.8048 8.3244 8.3244 11.1319 11.1319 11.6721 11.6721 13.2404 13.2404 15.3537 15.3537 15.9557 15.9557 16.5889 16.5889 k = 0.3659 0.5000-0.0000 ( 3124 PWs) bands (ev): -64.0120 -64.0120 -64.0089 -64.0089 -64.0058 -64.0058 -30.9770 -30.9770 -30.9701 -30.9701 -30.9592 -30.9592 -30.7204 -30.7204 -30.7041 -30.7041 -30.6906 -30.6906 -30.6675 -30.6675 -30.6471 -30.6471 -30.6089 -30.6089 -0.2127 -0.2127 2.8224 2.8224 2.8951 2.8951 3.1535 3.1535 3.2106 3.2106 3.2637 3.2637 4.3286 4.3286 5.5053 5.5053 6.6743 6.6743 8.3292 8.3292 11.2094 11.2094 11.6759 11.6759 13.3091 13.3091 15.2588 15.2588 15.9010 15.9010 16.4596 16.4596 k = 0.3780 0.5000-0.0000 ( 3128 PWs) bands (ev): -64.0118 -64.0118 -64.0089 -64.0089 -64.0061 -64.0061 -30.9766 -30.9766 -30.9701 -30.9701 -30.9599 -30.9599 -30.7207 -30.7207 -30.7037 -30.7037 -30.6909 -30.6909 -30.6673 -30.6673 -30.6473 -30.6473 -30.6086 -30.6086 -0.1964 -0.1964 2.8233 2.8233 2.8983 2.8983 3.1553 3.1553 3.2116 3.2116 3.2694 3.2694 4.4026 4.4026 5.4486 5.4486 6.5457 6.5457 8.3337 8.3337 11.2836 11.2836 11.6797 11.6797 13.3778 13.3778 15.1682 15.1682 15.8508 15.8508 16.3356 16.3356 k = 0.3902 0.5000-0.0000 ( 3132 PWs) bands (ev): -64.0115 -64.0115 -64.0089 -64.0089 -64.0063 -64.0063 -30.9761 -30.9761 -30.9701 -30.9701 -30.9606 -30.9606 -30.7209 -30.7209 -30.7033 -30.7033 -30.6913 -30.6913 -30.6671 -30.6671 -30.6475 -30.6475 -30.6084 -30.6084 -0.1812 -0.1812 2.8241 2.8241 2.9013 2.9013 3.1569 3.1569 3.2126 3.2126 3.2747 3.2747 4.4798 4.4798 5.3964 5.3964 6.4192 6.4192 8.3379 8.3379 11.3539 11.3539 11.6835 11.6835 13.4458 13.4458 15.0824 15.0824 15.8052 15.8052 16.2176 16.2176 k = 0.4024 0.5000-0.0000 ( 3132 PWs) bands (ev): -64.0112 -64.0112 -64.0089 -64.0089 -64.0066 -64.0066 -30.9758 -30.9758 -30.9700 -30.9700 -30.9613 -30.9613 -30.7210 -30.7210 -30.7029 -30.7029 -30.6916 -30.6916 -30.6670 -30.6670 -30.6477 -30.6477 -30.6081 -30.6081 -0.1673 -0.1673 2.8248 2.8248 2.9040 2.9040 3.1582 3.1582 3.2136 3.2136 3.2794 3.2794 4.5598 4.5598 5.3490 5.3490 6.2950 6.2950 8.3418 8.3418 11.4196 11.4196 11.6872 11.6872 13.5123 13.5123 15.0024 15.0024 15.7644 15.7644 16.1064 16.1064 k = 0.4146 0.5000-0.0000 ( 3132 PWs) bands (ev): -64.0109 -64.0109 -64.0089 -64.0089 -64.0069 -64.0069 -30.9754 -30.9754 -30.9698 -30.9698 -30.9619 -30.9619 -30.7212 -30.7212 -30.7025 -30.7025 -30.6919 -30.6919 -30.6668 -30.6668 -30.6479 -30.6479 -30.6079 -30.6079 -0.1546 -0.1546 2.8254 2.8254 2.9065 2.9065 3.1593 3.1593 3.2146 3.2146 3.2835 3.2835 4.6425 4.6425 5.3066 5.3066 6.1733 6.1733 8.3452 8.3452 11.4802 11.4802 11.6907 11.6907 13.5765 13.5765 14.9289 14.9289 15.7282 15.7282 16.0027 16.0027 k = 0.4268 0.5000-0.0000 ( 3128 PWs) bands (ev): -64.0107 -64.0107 -64.0089 -64.0089 -64.0072 -64.0072 -30.9751 -30.9751 -30.9695 -30.9695 -30.9626 -30.9626 -30.7214 -30.7214 -30.7022 -30.7022 -30.6923 -30.6923 -30.6667 -30.6667 -30.6481 -30.6481 -30.6077 -30.6077 -0.1435 -0.1435 2.8259 2.8259 2.9087 2.9087 3.1602 3.1602 3.2155 3.2155 3.2872 3.2872 4.7275 4.7275 5.2693 5.2693 6.0546 6.0546 8.3482 8.3482 11.5349 11.5349 11.6940 11.6940 13.6372 13.6372 14.8627 14.8627 15.6968 15.6968 15.9079 15.9079 k = 0.4390 0.5000-0.0000 ( 3124 PWs) bands (ev): -64.0104 -64.0104 -64.0089 -64.0089 -64.0075 -64.0075 -30.9749 -30.9749 -30.9692 -30.9692 -30.9633 -30.9633 -30.7215 -30.7215 -30.7018 -30.7018 -30.6925 -30.6925 -30.6666 -30.6666 -30.6482 -30.6482 -30.6075 -30.6075 -0.1338 -0.1338 2.8263 2.8263 2.9107 2.9107 3.1610 3.1610 3.2163 3.2163 3.2903 3.2903 4.8143 4.8143 5.2374 5.2374 5.9393 5.9393 8.3508 8.3508 11.5826 11.5826 11.6972 11.6972 13.6931 13.6931 14.8048 14.8048 15.6701 15.6701 15.8231 15.8231 k = 0.4512 0.5000-0.0000 ( 3132 PWs) bands (ev): -64.0101 -64.0101 -64.0089 -64.0089 -64.0077 -64.0077 -30.9747 -30.9747 -30.9688 -30.9688 -30.9639 -30.9639 -30.7216 -30.7216 -30.7016 -30.7016 -30.6928 -30.6928 -30.6665 -30.6665 -30.6483 -30.6483 -30.6074 -30.6074 -0.1258 -0.1258 2.8266 2.8266 2.9122 2.9122 3.1616 3.1616 3.2170 3.2170 3.2928 3.2928 4.9018 4.9018 5.2111 5.2111 5.8284 5.8284 8.3529 8.3529 11.6224 11.6224 11.7004 11.7004 13.7425 13.7425 14.7559 14.7559 15.6482 15.6482 15.7501 15.7501 k = 0.4634 0.5000-0.0000 ( 3140 PWs) bands (ev): -64.0098 -64.0098 -64.0089 -64.0089 -64.0080 -64.0080 -30.9746 -30.9746 -30.9684 -30.9684 -30.9646 -30.9646 -30.7217 -30.7217 -30.7013 -30.7013 -30.6930 -30.6930 -30.6664 -30.6664 -30.6484 -30.6484 -30.6074 -30.6074 -0.1195 -0.1195 2.8269 2.8269 2.9134 2.9134 3.1621 3.1621 3.2176 3.2176 3.2947 3.2947 4.9883 4.9883 5.1905 5.1905 5.7238 5.7238 8.3546 8.3546 11.6531 11.6531 11.7041 11.7041 13.7836 13.7836 14.7168 14.7168 15.6309 15.6309 15.6908 15.6908 k = 0.4756 0.5000-0.0000 ( 3140 PWs) bands (ev): -64.0095 -64.0095 -64.0089 -64.0089 -64.0083 -64.0083 -30.9746 -30.9746 -30.9678 -30.9678 -30.9653 -30.9653 -30.7217 -30.7217 -30.7011 -30.7011 -30.6932 -30.6932 -30.6664 -30.6664 -30.6485 -30.6485 -30.6073 -30.6073 -0.1150 -0.1150 2.8271 2.8271 2.9144 2.9144 3.1624 3.1624 3.2180 3.2180 3.2961 3.2961 5.0696 5.0696 5.1758 5.1758 5.6294 5.6294 8.3558 8.3558 11.6735 11.6735 11.7090 11.7090 13.8148 13.8148 14.6884 14.6884 15.6182 15.6182 15.6470 15.6470 k = 0.4878 0.5000-0.0000 ( 3136 PWs) bands (ev): -64.0092 -64.0092 -64.0089 -64.0089 -64.0086 -64.0086 -30.9745 -30.9745 -30.9673 -30.9673 -30.9658 -30.9658 -30.7218 -30.7218 -30.7010 -30.7010 -30.6933 -30.6933 -30.6663 -30.6663 -30.6485 -30.6485 -30.6072 -30.6072 -0.1122 -0.1122 2.8272 2.8272 2.9149 2.9149 3.1626 3.1626 3.2183 3.2183 3.2970 3.2970 5.1349 5.1349 5.1675 5.1675 5.5557 5.5557 8.3565 8.3565 11.6835 11.6835 11.7143 11.7143 13.8342 13.8342 14.6711 14.6711 15.6091 15.6091 15.6216 15.6216 k = 0.5000 0.5000-0.0000 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9745 -30.9745 -30.9670 -30.9670 -30.9661 -30.9661 -30.7218 -30.7218 -30.7010 -30.7010 -30.6933 -30.6933 -30.6663 -30.6663 -30.6485 -30.6485 -30.6072 -30.6072 -0.1113 -0.1113 2.8272 2.8272 2.9151 2.9151 3.1626 3.1626 3.2184 3.2184 3.2973 3.2973 5.1582 5.1582 5.1691 5.1691 5.5252 5.5252 8.3568 8.3568 11.6862 11.6862 11.7167 11.7167 13.8408 13.8408 14.6653 14.6653 15.6042 15.6042 15.6147 15.6147 k = 0.5000 0.5000-0.0000 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9745 -30.9745 -30.9670 -30.9670 -30.9661 -30.9661 -30.7218 -30.7218 -30.7010 -30.7010 -30.6933 -30.6933 -30.6663 -30.6663 -30.6485 -30.6485 -30.6072 -30.6072 -0.1113 -0.1113 2.8272 2.8272 2.9151 2.9151 3.1626 3.1626 3.2184 3.2184 3.2973 3.2973 5.1582 5.1582 5.1691 5.1691 5.5252 5.5252 8.3568 8.3568 11.6862 11.6862 11.7167 11.7167 13.8408 13.8408 14.6653 14.6653 15.6042 15.6042 15.6147 15.6147 k = 0.4912 0.4912-0.0000 ( 3136 PWs) bands (ev): -64.0092 -64.0092 -64.0089 -64.0089 -64.0086 -64.0086 -30.9745 -30.9745 -30.9674 -30.9674 -30.9658 -30.9658 -30.7218 -30.7218 -30.7010 -30.7010 -30.6933 -30.6933 -30.6663 -30.6663 -30.6485 -30.6485 -30.6072 -30.6072 -0.1123 -0.1123 2.8272 2.8272 2.9149 2.9149 3.1626 3.1626 3.2183 3.2183 3.2970 3.2970 5.1354 5.1354 5.1660 5.1660 5.5568 5.5568 8.3565 8.3565 11.6832 11.6832 11.7144 11.7144 13.8340 13.8340 14.6713 14.6713 15.6083 15.6083 15.6227 15.6227 k = 0.4825 0.4825-0.0000 ( 3140 PWs) bands (ev): -64.0095 -64.0095 -64.0089 -64.0089 -64.0083 -64.0083 -30.9746 -30.9746 -30.9679 -30.9679 -30.9652 -30.9652 -30.7217 -30.7217 -30.7012 -30.7012 -30.6932 -30.6932 -30.6664 -30.6664 -30.6485 -30.6485 -30.6073 -30.6073 -0.1151 -0.1151 2.8271 2.8271 2.9143 2.9143 3.1624 3.1624 3.2180 3.2180 3.2961 3.2961 5.0724 5.0724 5.1697 5.1697 5.6335 5.6335 8.3558 8.3558 11.6710 11.6710 11.7108 11.7108 13.8140 13.8140 14.6891 14.6891 15.6132 15.6132 15.6535 15.6535 k = 0.4737 0.4737-0.0000 ( 3140 PWs) bands (ev): -64.0098 -64.0098 -64.0089 -64.0089 -64.0080 -64.0080 -30.9746 -30.9746 -30.9684 -30.9684 -30.9646 -30.9646 -30.7217 -30.7217 -30.7013 -30.7013 -30.6930 -30.6930 -30.6664 -30.6664 -30.6484 -30.6484 -30.6074 -30.6074 -0.1199 -0.1199 2.8269 2.8269 2.9134 2.9134 3.1620 3.1620 3.2175 3.2175 3.2946 3.2946 4.9951 4.9951 5.1768 5.1768 5.7325 5.7325 8.3545 8.3545 11.6456 11.6456 11.7104 11.7104 13.7824 13.7824 14.7183 14.7183 15.6190 15.6190 15.7055 15.7055 k = 0.4649 0.4649-0.0000 ( 3144 PWs) bands (ev): -64.0102 -64.0102 -64.0088 -64.0088 -64.0078 -64.0078 -30.9747 -30.9747 -30.9689 -30.9689 -30.9639 -30.9639 -30.7216 -30.7216 -30.7016 -30.7016 -30.6928 -30.6928 -30.6665 -30.6665 -30.6483 -30.6483 -30.6075 -30.6075 -0.1266 -0.1266 2.8266 2.8266 2.9121 2.9121 3.1616 3.1616 3.2169 3.2169 3.2926 3.2926 4.9145 4.9145 5.1869 5.1869 5.8433 5.8433 8.3526 8.3526 11.6080 11.6080 11.7128 11.7128 13.7412 13.7412 14.7579 14.7579 15.6267 15.6267 15.7756 15.7756 k = 0.4561 0.4561-0.0000 ( 3128 PWs) bands (ev): -64.0105 -64.0105 -64.0088 -64.0088 -64.0075 -64.0075 -30.9749 -30.9749 -30.9694 -30.9694 -30.9631 -30.9631 -30.7215 -30.7215 -30.7018 -30.7018 -30.6925 -30.6925 -30.6666 -30.6666 -30.6482 -30.6482 -30.6076 -30.6076 -0.1351 -0.1351 2.8263 2.8263 2.9104 2.9104 3.1610 3.1610 3.2162 3.2162 3.2902 3.2902 4.8348 4.8348 5.1998 5.1998 5.9617 5.9617 8.3502 8.3502 11.5602 11.5602 11.7172 11.7172 13.6928 13.6928 14.8069 14.8069 15.6368 15.6368 15.8614 15.8614 k = 0.4474 0.4474-0.0000 ( 3120 PWs) bands (ev): -64.0108 -64.0108 -64.0087 -64.0087 -64.0072 -64.0072 -30.9750 -30.9750 -30.9698 -30.9698 -30.9623 -30.9623 -30.7213 -30.7213 -30.7022 -30.7022 -30.6922 -30.6922 -30.6667 -30.6667 -30.6480 -30.6480 -30.6077 -30.6077 -0.1456 -0.1456 2.8259 2.8259 2.9085 2.9085 3.1603 3.1603 3.2153 3.2153 3.2871 3.2871 4.7578 4.7578 5.2156 5.2156 6.0859 6.0859 8.3473 8.3473 11.5036 11.5036 11.7230 11.7230 13.6392 13.6392 14.8642 14.8642 15.6489 15.6489 15.9609 15.9609 k = 0.4386 0.4386-0.0000 ( 3120 PWs) bands (ev): -64.0111 -64.0111 -64.0086 -64.0086 -64.0070 -64.0070 -30.9752 -30.9752 -30.9703 -30.9703 -30.9616 -30.9616 -30.7212 -30.7212 -30.7025 -30.7025 -30.6919 -30.6919 -30.6669 -30.6669 -30.6478 -30.6478 -30.6079 -30.6079 -0.1580 -0.1580 2.8254 2.8254 2.9061 2.9061 3.1595 3.1595 3.2143 3.2143 3.2837 3.2837 4.6845 4.6845 5.2341 5.2341 6.2147 6.2147 8.3436 8.3436 11.4395 11.4395 11.7301 11.7301 13.5824 13.5824 14.9286 14.9286 15.6632 15.6632 16.0718 16.0718 k = 0.4298 0.4298-0.0000 ( 3120 PWs) bands (ev): -64.0115 -64.0115 -64.0086 -64.0086 -64.0067 -64.0067 -30.9754 -30.9754 -30.9707 -30.9707 -30.9608 -30.9608 -30.7210 -30.7210 -30.7029 -30.7029 -30.6916 -30.6916 -30.6670 -30.6670 -30.6476 -30.6476 -30.6081 -30.6081 -0.1723 -0.1723 2.8248 2.8248 2.9035 2.9035 3.1585 3.1585 3.2133 3.2133 3.2798 3.2798 4.6153 4.6153 5.2554 5.2554 6.3477 6.3477 8.3392 8.3392 11.3689 11.3689 11.7384 11.7384 13.5241 13.5241 14.9988 14.9988 15.6796 15.6796 16.1927 16.1927 k = 0.4211 0.4211-0.0000 ( 3124 PWs) bands (ev): -64.0118 -64.0118 -64.0085 -64.0085 -64.0065 -64.0065 -30.9757 -30.9757 -30.9711 -30.9711 -30.9600 -30.9600 -30.7208 -30.7208 -30.7033 -30.7033 -30.6914 -30.6914 -30.6672 -30.6672 -30.6474 -30.6474 -30.6083 -30.6083 -0.1886 -0.1886 2.8241 2.8241 2.9005 2.9005 3.1574 3.1574 3.2121 3.2121 3.2755 3.2755 4.5506 4.5506 5.2793 5.2793 6.4843 6.4843 8.3339 8.3339 11.2929 11.2929 11.7477 11.7477 13.4655 13.4655 15.0737 15.0737 15.6983 15.6983 16.3222 16.3222 k = 0.4123 0.4123-0.0000 ( 3120 PWs) bands (ev): -64.0122 -64.0122 -64.0084 -64.0084 -64.0062 -64.0062 -30.9760 -30.9760 -30.9715 -30.9715 -30.9591 -30.9591 -30.7206 -30.7206 -30.7037 -30.7037 -30.6911 -30.6911 -30.6674 -30.6674 -30.6471 -30.6471 -30.6085 -30.6085 -0.2067 -0.2067 2.8234 2.8234 2.8974 2.8974 3.1562 3.1562 3.2110 3.2110 3.2710 3.2710 4.4904 4.4904 5.3058 5.3058 6.6243 6.6243 8.3280 8.3280 11.2125 11.2125 11.7582 11.7582 13.4078 13.4078 15.1521 15.1521 15.7192 15.7192 16.4595 16.4595 k = 0.4035 0.4035-0.0000 ( 3121 PWs) bands (ev): -64.0125 -64.0125 -64.0082 -64.0082 -64.0060 -64.0060 -30.9763 -30.9763 -30.9718 -30.9718 -30.9583 -30.9583 -30.7204 -30.7204 -30.7040 -30.7040 -30.6908 -30.6908 -30.6677 -30.6677 -30.6468 -30.6468 -30.6088 -30.6088 -0.2268 -0.2268 2.8226 2.8226 2.8941 2.8941 3.1549 3.1549 3.2098 3.2098 3.2662 3.2662 4.4350 4.4350 5.3349 5.3349 6.7673 6.7673 8.3211 8.3211 11.1285 11.1285 11.7698 11.7698 13.3517 13.3517 15.2331 15.2331 15.7423 15.7423 16.6036 16.6036 k = 0.3947 0.3947-0.0000 ( 3123 PWs) bands (ev): -64.0129 -64.0129 -64.0081 -64.0081 -64.0058 -64.0058 -30.9767 -30.9767 -30.9722 -30.9722 -30.9574 -30.9574 -30.7201 -30.7201 -30.7044 -30.7044 -30.6906 -30.6906 -30.6679 -30.6679 -30.6464 -30.6464 -30.6090 -30.6090 -0.2487 -0.2487 2.8217 2.8217 2.8906 2.8906 3.1535 3.1535 3.2086 3.2086 3.2612 3.2612 4.3843 4.3843 5.3665 5.3665 6.9132 6.9132 8.3132 8.3132 11.0417 11.0417 11.7823 11.7823 13.2981 13.2981 15.3158 15.3158 15.7675 15.7675 16.6874 16.6874 k = 0.3860 0.3860-0.0000 ( 3131 PWs) bands (ev): -64.0132 -64.0132 -64.0080 -64.0080 -64.0056 -64.0056 -30.9771 -30.9771 -30.9725 -30.9725 -30.9565 -30.9565 -30.7199 -30.7199 -30.7048 -30.7048 -30.6904 -30.6904 -30.6682 -30.6682 -30.6461 -30.6461 -30.6093 -30.6093 -0.2724 -0.2724 2.8207 2.8207 2.8870 2.8870 3.1521 3.1521 3.2075 3.2075 3.2561 3.2561 4.3382 4.3382 5.4004 5.4004 7.0615 7.0615 8.3043 8.3043 10.9527 10.9527 11.7959 11.7959 13.2475 13.2475 15.3993 15.3993 15.7949 15.7949 16.6868 16.6868 k = 0.3772 0.3772-0.0000 ( 3127 PWs) bands (ev): -64.0136 -64.0136 -64.0078 -64.0078 -64.0054 -64.0054 -30.9774 -30.9774 -30.9728 -30.9728 -30.9556 -30.9556 -30.7196 -30.7196 -30.7052 -30.7052 -30.6902 -30.6902 -30.6685 -30.6685 -30.6456 -30.6456 -30.6095 -30.6095 -0.2979 -0.2979 2.8196 2.8196 2.8834 2.8834 3.1507 3.1507 3.2064 3.2064 3.2511 3.2511 4.2966 4.2966 5.4368 5.4368 7.2123 7.2123 8.2944 8.2944 10.8622 10.8622 11.8105 11.8105 13.2004 13.2004 15.4829 15.4829 15.8245 15.8245 16.6791 16.6791 k = 0.3684 0.3684-0.0000 ( 3125 PWs) bands (ev): -64.0139 -64.0139 -64.0077 -64.0077 -64.0052 -64.0052 -30.9778 -30.9778 -30.9732 -30.9732 -30.9547 -30.9547 -30.7193 -30.7193 -30.7056 -30.7056 -30.6901 -30.6901 -30.6689 -30.6689 -30.6451 -30.6451 -30.6097 -30.6097 -0.3251 -0.3251 2.8186 2.8186 2.8798 2.8798 3.1492 3.1492 3.2054 3.2054 3.2460 3.2460 4.2596 4.2596 5.4754 5.4754 7.3650 7.3650 8.2834 8.2834 10.7707 10.7707 11.8260 11.8260 13.1571 13.1571 15.5658 15.5658 15.8563 15.8563 16.6628 16.6628 k = 0.3596 0.3596-0.0000 ( 3129 PWs) bands (ev): -64.0143 -64.0143 -64.0075 -64.0075 -64.0050 -64.0050 -30.9782 -30.9782 -30.9735 -30.9735 -30.9538 -30.9538 -30.7191 -30.7191 -30.7059 -30.7059 -30.6900 -30.6900 -30.6693 -30.6693 -30.6446 -30.6446 -30.6099 -30.6099 -0.3540 -0.3540 2.8175 2.8175 2.8763 2.8763 3.1478 3.1478 3.2044 3.2044 3.2410 3.2410 4.2269 4.2269 5.5162 5.5162 7.5195 7.5195 8.2712 8.2712 10.6789 10.6789 11.8424 11.8424 13.1179 13.1179 15.6472 15.6472 15.8902 15.8902 16.6370 16.6370 k = 0.3509 0.3509-0.0000 ( 3137 PWs) bands (ev): -64.0147 -64.0147 -64.0074 -64.0074 -64.0048 -64.0048 -30.9786 -30.9786 -30.9739 -30.9739 -30.9528 -30.9528 -30.7188 -30.7188 -30.7063 -30.7063 -30.6899 -30.6899 -30.6697 -30.6697 -30.6441 -30.6441 -30.6102 -30.6102 -0.3844 -0.3844 2.8164 2.8164 2.8729 2.8729 3.1465 3.1465 3.2035 3.2035 3.2362 3.2362 4.1984 4.1984 5.5591 5.5591 7.6753 7.6753 8.2579 8.2579 10.5871 10.5871 11.8598 11.8598 13.0831 13.0831 15.7262 15.7262 15.9264 15.9264 16.6016 16.6016 k = 0.3421 0.3421-0.0000 ( 3139 PWs) bands (ev): -64.0150 -64.0150 -64.0072 -64.0072 -64.0046 -64.0046 -30.9790 -30.9790 -30.9742 -30.9742 -30.9519 -30.9519 -30.7185 -30.7185 -30.7066 -30.7066 -30.6899 -30.6899 -30.6702 -30.6702 -30.6435 -30.6435 -30.6103 -30.6103 -0.4163 -0.4163 2.8154 2.8154 2.8696 2.8696 3.1453 3.1453 3.2026 3.2026 3.2315 3.2315 4.1740 4.1740 5.6041 5.6041 7.8320 7.8320 8.2433 8.2433 10.4962 10.4962 11.8780 11.8780 13.0528 13.0528 15.8014 15.8014 15.9647 15.9647 16.5574 16.5574 k = 0.3333 0.3333-0.0000 ( 3129 PWs) bands (ev): -64.0154 -64.0154 -64.0070 -64.0070 -64.0044 -64.0044 -30.9794 -30.9794 -30.9745 -30.9745 -30.9510 -30.9510 -30.7181 -30.7181 -30.7069 -30.7069 -30.6899 -30.6899 -30.6707 -30.6707 -30.6428 -30.6428 -30.6105 -30.6105 -0.4495 -0.4495 2.8145 2.8145 2.8666 2.8666 3.1442 3.1442 3.2018 3.2018 3.2271 3.2271 4.1535 4.1535 5.6510 5.6510 7.9891 7.9891 8.2276 8.2276 10.4067 10.4067 11.8971 11.8971 13.0273 13.0273 15.8703 15.8703 16.0052 16.0052 16.5071 16.5071 k = 0.3246 0.3246-0.0000 ( 3131 PWs) bands (ev): -64.0157 -64.0157 -64.0068 -64.0068 -64.0042 -64.0042 -30.9798 -30.9798 -30.9749 -30.9749 -30.9500 -30.9500 -30.7178 -30.7178 -30.7072 -30.7072 -30.6899 -30.6899 -30.6712 -30.6712 -30.6420 -30.6420 -30.6106 -30.6106 -0.4840 -0.4840 2.8136 2.8136 2.8637 2.8637 3.1433 3.1433 3.2010 3.2010 3.2230 3.2230 4.1367 4.1367 5.6998 5.6998 8.1457 8.1457 8.2107 8.2107 10.3194 10.3194 11.9170 11.9170 13.0066 13.0066 15.9282 15.9282 16.0479 16.0479 16.4561 16.4561 k = 0.3158 0.3158-0.0000 ( 3123 PWs) bands (ev): -64.0161 -64.0161 -64.0066 -64.0066 -64.0040 -64.0040 -30.9802 -30.9802 -30.9753 -30.9753 -30.9491 -30.9491 -30.7175 -30.7175 -30.7075 -30.7075 -30.6900 -30.6900 -30.6718 -30.6718 -30.6412 -30.6412 -30.6107 -30.6107 -0.5196 -0.5196 2.8130 2.8130 2.8611 2.8611 3.1426 3.1426 3.2002 3.2002 3.2193 3.2193 4.1235 4.1235 5.7504 5.7504 8.1925 8.1925 8.3008 8.3008 10.2357 10.2357 11.9377 11.9377 12.9907 12.9907 15.9659 15.9659 16.0928 16.0928 16.4151 16.4151 k = 0.3070 0.3070-0.0000 ( 3119 PWs) bands (ev): -64.0165 -64.0165 -64.0064 -64.0064 -64.0039 -64.0039 -30.9806 -30.9806 -30.9756 -30.9756 -30.9482 -30.9482 -30.7172 -30.7172 -30.7077 -30.7077 -30.6900 -30.6900 -30.6724 -30.6724 -30.6403 -30.6403 -30.6108 -30.6108 -0.5561 -0.5561 2.8125 2.8125 2.8586 2.8586 3.1421 3.1421 3.1994 3.1994 3.2160 3.2160 4.1138 4.1138 5.8026 5.8026 8.1732 8.1732 8.4527 8.4527 10.1569 10.1569 11.9592 11.9592 12.9798 12.9798 15.9701 15.9701 16.1399 16.1399 16.3988 16.3988 k = 0.2982 0.2982-0.0000 ( 3115 PWs) bands (ev): -64.0168 -64.0168 -64.0062 -64.0062 -64.0037 -64.0037 -30.9810 -30.9810 -30.9760 -30.9760 -30.9472 -30.9472 -30.7169 -30.7169 -30.7080 -30.7080 -30.6901 -30.6901 -30.6731 -30.6731 -30.6394 -30.6394 -30.6108 -30.6108 -0.5935 -0.5935 2.8121 2.8121 2.8563 2.8563 3.1418 3.1418 3.1984 3.1984 3.2132 3.2132 4.1075 4.1075 5.8565 5.8565 8.1528 8.1528 8.5990 8.5990 10.0857 10.0857 11.9815 11.9815 12.9738 12.9738 15.9337 15.9337 16.1892 16.1892 16.4158 16.4158 k = 0.2895 0.2895-0.0000 ( 3115 PWs) bands (ev): -64.0172 -64.0172 -64.0060 -64.0060 -64.0036 -64.0036 -30.9814 -30.9814 -30.9764 -30.9764 -30.9463 -30.9463 -30.7167 -30.7167 -30.7082 -30.7082 -30.6903 -30.6903 -30.6739 -30.6739 -30.6384 -30.6384 -30.6108 -30.6108 -0.6317 -0.6317 2.8120 2.8120 2.8541 2.8541 3.1417 3.1417 3.1971 3.1971 3.2110 3.2110 4.1043 4.1043 5.9118 5.9118 8.1314 8.1314 8.7358 8.7358 10.0258 10.0258 12.0044 12.0044 12.9726 12.9726 15.8650 15.8650 16.2406 16.2406 16.4596 16.4596 k = 0.2807 0.2807-0.0000 ( 3115 PWs) bands (ev): -64.0175 -64.0175 -64.0058 -64.0058 -64.0034 -64.0034 -30.9818 -30.9818 -30.9769 -30.9769 -30.9454 -30.9454 -30.7164 -30.7164 -30.7085 -30.7085 -30.6904 -30.6904 -30.6746 -30.6746 -30.6374 -30.6374 -30.6108 -30.6108 -0.6703 -0.6703 2.8121 2.8121 2.8521 2.8521 3.1419 3.1419 3.1956 3.1956 3.2095 3.2095 4.1043 4.1043 5.9685 5.9685 8.1088 8.1088 8.8571 8.8571 9.9832 9.9832 12.0281 12.0281 12.9763 12.9763 15.7767 15.7767 16.2941 16.2941 16.5191 16.5191 k = 0.2719 0.2719-0.0000 ( 3119 PWs) bands (ev): -64.0179 -64.0179 -64.0056 -64.0056 -64.0033 -64.0033 -30.9822 -30.9822 -30.9773 -30.9773 -30.9446 -30.9446 -30.7162 -30.7162 -30.7087 -30.7087 -30.6905 -30.6905 -30.6755 -30.6755 -30.6363 -30.6363 -30.6108 -30.6108 -0.7094 -0.7094 2.8123 2.8123 2.8502 2.8502 3.1422 3.1422 3.1938 3.1938 3.2085 3.2085 4.1073 4.1073 6.0265 6.0265 8.0854 8.0854 8.9546 8.9546 9.9662 9.9662 12.0525 12.0525 12.9847 12.9847 15.6772 15.6772 16.3497 16.3497 16.5870 16.5870 k = 0.2632 0.2632-0.0000 ( 3113 PWs) bands (ev): -64.0182 -64.0182 -64.0054 -64.0054 -64.0031 -64.0031 -30.9825 -30.9825 -30.9777 -30.9777 -30.9437 -30.9437 -30.7159 -30.7159 -30.7089 -30.7089 -30.6906 -30.6906 -30.6763 -30.6763 -30.6351 -30.6351 -30.6108 -30.6108 -0.7488 -0.7488 2.8128 2.8128 2.8484 2.8484 3.1428 3.1428 3.1919 3.1919 3.2080 3.2080 4.1133 4.1133 6.0857 6.0857 8.0612 8.0612 9.0191 9.0191 9.9838 9.9838 12.0776 12.0776 12.9977 12.9977 15.5715 15.5715 16.4075 16.4075 16.6597 16.6597 k = 0.2544 0.2544-0.0000 ( 3113 PWs) bands (ev): -64.0186 -64.0186 -64.0052 -64.0052 -64.0030 -64.0030 -30.9829 -30.9829 -30.9782 -30.9782 -30.9428 -30.9428 -30.7157 -30.7157 -30.7091 -30.7091 -30.6908 -30.6908 -30.6772 -30.6772 -30.6340 -30.6340 -30.6107 -30.6107 -0.7882 -0.7882 2.8133 2.8133 2.8467 2.8467 3.1436 3.1436 3.1900 3.1900 3.2080 3.2080 4.1221 4.1221 6.1459 6.1459 8.0362 8.0362 9.0456 9.0456 10.0410 10.0410 12.1034 12.1034 13.0153 13.0153 15.4625 15.4625 16.4674 16.4674 16.7352 16.7352 k = 0.2456 0.2456-0.0000 ( 3115 PWs) bands (ev): -64.0189 -64.0189 -64.0050 -64.0050 -64.0029 -64.0029 -30.9833 -30.9833 -30.9787 -30.9787 -30.9420 -30.9420 -30.7155 -30.7155 -30.7093 -30.7093 -30.6909 -30.6909 -30.6780 -30.6780 -30.6328 -30.6328 -30.6107 -30.6107 -0.8277 -0.8277 2.8140 2.8140 2.8451 2.8451 3.1446 3.1446 3.1881 3.1881 3.2082 3.2082 4.1336 4.1336 6.2071 6.2071 8.0107 8.0107 9.0373 9.0373 10.1343 10.1343 12.1299 12.1299 13.0373 13.0373 15.3520 15.3520 16.5293 16.5293 16.8126 16.8126 k = 0.2368 0.2368-0.0000 ( 3101 PWs) bands (ev): -64.0192 -64.0192 -64.0048 -64.0048 -64.0028 -64.0028 -30.9836 -30.9836 -30.9792 -30.9792 -30.9411 -30.9411 -30.7153 -30.7153 -30.7095 -30.7095 -30.6910 -30.6910 -30.6789 -30.6789 -30.6315 -30.6315 -30.6105 -30.6105 -0.8669 -0.8669 2.8148 2.8148 2.8436 2.8436 3.1457 3.1457 3.1862 3.1862 3.2088 3.2088 4.1478 4.1478 6.2690 6.2690 7.9847 7.9847 9.0030 9.0030 10.2549 10.2549 12.1571 12.1571 13.0636 13.0636 15.2414 15.2414 16.5933 16.5933 16.8914 16.8914 k = 0.2281 0.2281-0.0000 ( 3109 PWs) bands (ev): -64.0195 -64.0195 -64.0046 -64.0046 -64.0027 -64.0027 -30.9840 -30.9840 -30.9797 -30.9797 -30.9403 -30.9403 -30.7152 -30.7152 -30.7097 -30.7097 -30.6911 -30.6911 -30.6799 -30.6799 -30.6303 -30.6303 -30.6104 -30.6104 -0.9059 -0.9059 2.8156 2.8156 2.8421 2.8421 3.1469 3.1469 3.1844 3.1844 3.2095 3.2095 4.1647 4.1647 6.3315 6.3315 7.9582 7.9582 8.9512 8.9512 10.3939 10.3939 12.1849 12.1849 13.0938 13.0938 15.1316 15.1316 16.6592 16.6592 16.9713 16.9713 k = 0.2193 0.2193-0.0000 ( 3113 PWs) bands (ev): -64.0199 -64.0199 -64.0044 -64.0044 -64.0026 -64.0026 -30.9843 -30.9843 -30.9802 -30.9802 -30.9396 -30.9396 -30.7151 -30.7151 -30.7099 -30.7099 -30.6912 -30.6912 -30.6808 -30.6808 -30.6290 -30.6290 -30.6103 -30.6103 -0.9444 -0.9444 2.8163 2.8163 2.8407 2.8407 3.1482 3.1482 3.1828 3.1828 3.2105 3.2105 4.1840 4.1840 6.3945 6.3945 7.9314 7.9314 8.8886 8.8886 10.5447 10.5447 12.2133 12.2133 13.1278 13.1278 15.0236 15.0236 16.7270 16.7270 17.0518 17.0518 k = 0.2105 0.2105-0.0000 ( 3113 PWs) bands (ev): -64.0202 -64.0202 -64.0042 -64.0042 -64.0025 -64.0025 -30.9847 -30.9847 -30.9807 -30.9807 -30.9388 -30.9388 -30.7150 -30.7150 -30.7101 -30.7101 -30.6913 -30.6913 -30.6817 -30.6817 -30.6277 -30.6277 -30.6101 -30.6101 -0.9823 -0.9823 2.8171 2.8171 2.8393 2.8393 3.1495 3.1495 3.1812 3.1812 3.2116 3.2116 4.2057 4.2057 6.4578 6.4578 7.9045 7.9045 8.8192 8.8192 10.7029 10.7029 12.2425 12.2425 13.1655 13.1655 14.9178 14.9178 16.7968 16.7968 17.1324 17.1324 k = 0.2018 0.2018-0.0000 ( 3107 PWs) bands (ev): -64.0205 -64.0205 -64.0040 -64.0040 -64.0024 -64.0024 -30.9850 -30.9850 -30.9812 -30.9812 -30.9381 -30.9381 -30.7149 -30.7149 -30.7103 -30.7103 -30.6913 -30.6913 -30.6826 -30.6826 -30.6264 -30.6264 -30.6100 -30.6100 -1.0196 -1.0196 2.8179 2.8179 2.8380 2.8380 3.1509 3.1509 3.1798 3.1798 3.2129 3.2129 4.2297 4.2297 6.5214 6.5214 7.8776 7.8776 8.7458 8.7458 10.8656 10.8656 12.2724 12.2724 13.2065 13.2065 14.8151 14.8151 16.8684 16.8684 17.0413 17.0413 k = 0.1930 0.1930-0.0000 ( 3101 PWs) bands (ev): -64.0208 -64.0208 -64.0038 -64.0038 -64.0023 -64.0023 -30.9853 -30.9853 -30.9817 -30.9817 -30.9374 -30.9374 -30.7148 -30.7148 -30.7105 -30.7105 -30.6913 -30.6913 -30.6834 -30.6834 -30.6251 -30.6251 -30.6098 -30.6098 -1.0560 -1.0560 2.8186 2.8186 2.8367 2.8367 3.1523 3.1523 3.1785 3.1785 3.2144 3.2144 4.2559 4.2559 6.5849 6.5849 7.8508 7.8508 8.6699 8.6699 11.0309 11.0309 12.3030 12.3030 13.2507 13.2507 14.7158 14.7158 16.8549 16.8549 16.9427 16.9427 k = 0.1842 0.1842-0.0000 ( 3101 PWs) bands (ev): -64.0211 -64.0211 -64.0036 -64.0036 -64.0022 -64.0022 -30.9856 -30.9856 -30.9822 -30.9822 -30.9367 -30.9367 -30.7147 -30.7147 -30.7107 -30.7107 -30.6914 -30.6914 -30.6842 -30.6842 -30.6238 -30.6238 -30.6097 -30.6097 -1.0915 -1.0915 2.8192 2.8192 2.8354 2.8354 3.1536 3.1536 3.1773 3.1773 3.2159 3.2159 4.2840 4.2840 6.6481 6.6481 7.8242 7.8242 8.5927 8.5927 11.1971 11.1971 12.3344 12.3344 13.2978 13.2978 14.6204 14.6204 16.6729 16.6729 17.0176 17.0176 k = 0.1754 0.1754-0.0000 ( 3105 PWs) bands (ev): -64.0213 -64.0213 -64.0034 -64.0034 -64.0021 -64.0021 -30.9859 -30.9859 -30.9828 -30.9828 -30.9361 -30.9361 -30.7147 -30.7147 -30.7109 -30.7109 -30.6914 -30.6914 -30.6851 -30.6851 -30.6226 -30.6226 -30.6095 -30.6095 -1.1261 -1.1261 2.8198 2.8198 2.8342 2.8342 3.1549 3.1549 3.1762 3.1762 3.2175 3.2175 4.3140 4.3140 6.7110 6.7110 7.7980 7.7980 8.5150 8.5150 11.3631 11.3631 12.3666 12.3666 13.3474 13.3474 14.5294 14.5294 16.4944 16.4944 17.0941 17.0941 k = 0.1667 0.1667-0.0000 ( 3109 PWs) bands (ev): -64.0216 -64.0216 -64.0032 -64.0032 -64.0020 -64.0020 -30.9862 -30.9862 -30.9833 -30.9833 -30.9355 -30.9355 -30.7147 -30.7147 -30.7112 -30.7112 -30.6914 -30.6914 -30.6858 -30.6858 -30.6213 -30.6213 -30.6094 -30.6094 -1.1595 -1.1595 2.8202 2.8202 2.8330 2.8330 3.1561 3.1561 3.1751 3.1751 3.2192 3.2192 4.3457 4.3457 6.7731 6.7731 7.7723 7.7723 8.4375 8.4375 11.5278 11.5278 12.3996 12.3996 13.3994 13.3994 14.4433 14.4433 16.3198 16.3198 17.1726 17.1726 k = 0.1579 0.1579-0.0000 ( 3105 PWs) bands (ev): -64.0219 -64.0219 -64.0030 -64.0030 -64.0019 -64.0019 -30.9865 -30.9865 -30.9837 -30.9837 -30.9349 -30.9349 -30.7147 -30.7147 -30.7114 -30.7114 -30.6914 -30.6914 -30.6866 -30.6866 -30.6201 -30.6201 -30.6092 -30.6092 -1.1917 -1.1917 2.8206 2.8206 2.8319 2.8319 3.1573 3.1573 3.1742 3.1742 3.2209 3.2209 4.3788 4.3788 6.8345 6.8345 7.7471 7.7471 8.3607 8.3607 11.6904 11.6904 12.4335 12.4335 13.4533 13.4533 14.3627 14.3627 16.1495 16.1495 17.2524 17.2524 k = 0.1491 0.1491-0.0000 ( 3093 PWs) bands (ev): -64.0221 -64.0221 -64.0029 -64.0029 -64.0019 -64.0019 -30.9867 -30.9867 -30.9842 -30.9842 -30.9343 -30.9343 -30.7147 -30.7147 -30.7117 -30.7117 -30.6913 -30.6913 -30.6873 -30.6873 -30.6188 -30.6188 -30.6090 -30.6090 -1.2226 -1.2226 2.8210 2.8210 2.8308 2.8308 3.1584 3.1584 3.1734 3.1734 3.2227 3.2227 4.4132 4.4132 6.8948 6.8948 7.7227 7.7227 8.2848 8.2848 11.8496 11.8496 12.4684 12.4684 13.5088 13.5088 14.2880 14.2880 15.9835 15.9835 17.3335 17.3335 k = 0.1404 0.1404-0.0000 ( 3093 PWs) bands (ev): -64.0223 -64.0223 -64.0027 -64.0027 -64.0018 -64.0018 -30.9870 -30.9870 -30.9847 -30.9847 -30.9338 -30.9338 -30.7147 -30.7147 -30.7119 -30.7119 -30.6913 -30.6913 -30.6879 -30.6879 -30.6177 -30.6177 -30.6089 -30.6089 -1.2521 -1.2521 2.8212 2.8212 2.8298 2.8298 3.1595 3.1595 3.1726 3.1726 3.2244 3.2244 4.4486 4.4486 6.9537 6.9537 7.6991 7.6991 8.2104 8.2104 12.0044 12.0044 12.5041 12.5041 13.5655 13.5655 14.2199 14.2199 15.8220 15.8220 17.4156 17.4156 k = 0.1316 0.1316-0.0000 ( 3101 PWs) bands (ev): -64.0225 -64.0225 -64.0025 -64.0025 -64.0018 -64.0018 -30.9872 -30.9872 -30.9852 -30.9852 -30.9333 -30.9333 -30.7147 -30.7147 -30.7122 -30.7122 -30.6913 -30.6913 -30.6885 -30.6885 -30.6166 -30.6166 -30.6087 -30.6087 -1.2802 -1.2802 2.8213 2.8213 2.8287 2.8287 3.1604 3.1604 3.1719 3.1719 3.2261 3.2261 4.4847 4.4847 7.0109 7.0109 7.6763 7.6763 8.1376 8.1376 12.1534 12.1534 12.5409 12.5409 13.6229 13.6229 14.1592 14.1592 15.6654 15.6654 17.4986 17.4986 k = 0.1228 0.1228-0.0000 ( 3099 PWs) bands (ev): -64.0228 -64.0228 -64.0024 -64.0024 -64.0017 -64.0017 -30.9874 -30.9874 -30.9856 -30.9856 -30.9329 -30.9329 -30.7147 -30.7147 -30.7125 -30.7125 -30.6912 -30.6912 -30.6891 -30.6891 -30.6155 -30.6155 -30.6086 -30.6086 -1.3068 -1.3068 2.8214 2.8214 2.8277 2.8277 3.1613 3.1613 3.1712 3.1712 3.2277 3.2277 4.5212 4.5212 7.0664 7.0664 7.6546 7.6546 8.0669 8.0669 12.2952 12.2952 12.5787 12.5787 13.6806 13.6806 14.1068 14.1068 15.5138 15.5138 17.5822 17.5822 k = 0.1140 0.1140-0.0000 ( 3099 PWs) bands (ev): -64.0229 -64.0229 -64.0022 -64.0022 -64.0016 -64.0016 -30.9876 -30.9876 -30.9860 -30.9860 -30.9325 -30.9325 -30.7147 -30.7147 -30.7127 -30.7127 -30.6913 -30.6913 -30.6895 -30.6895 -30.6145 -30.6145 -30.6084 -30.6084 -1.3318 -1.3318 2.8215 2.8215 2.8268 2.8268 3.1622 3.1622 3.1706 3.1706 3.2293 3.2293 4.5578 4.5578 7.1196 7.1196 7.6340 7.6340 7.9985 7.9985 12.4281 12.4281 12.6176 12.6176 13.7380 13.7380 14.0637 14.0637 15.3676 15.3676 17.6661 17.6661 k = 0.1053 0.1053-0.0000 ( 3097 PWs) bands (ev): -64.0231 -64.0231 -64.0021 -64.0021 -64.0016 -64.0016 -30.9878 -30.9878 -30.9864 -30.9864 -30.9320 -30.9320 -30.7148 -30.7148 -30.7130 -30.7130 -30.6913 -30.6913 -30.6899 -30.6899 -30.6135 -30.6135 -30.6083 -30.6083 -1.3551 -1.3551 2.8215 2.8215 2.8259 2.8259 3.1629 3.1629 3.1701 3.1701 3.2309 3.2309 4.5942 4.5942 7.1705 7.1705 7.6146 7.6146 7.9329 7.9329 12.5498 12.5498 12.6580 12.6580 13.7944 13.7944 14.0314 14.0314 15.2271 15.2271 17.7496 17.7496 k = 0.0965 0.0965-0.0000 ( 3097 PWs) bands (ev): -64.0233 -64.0233 -64.0020 -64.0020 -64.0016 -64.0016 -30.9880 -30.9880 -30.9868 -30.9868 -30.9317 -30.9317 -30.7148 -30.7148 -30.7133 -30.7133 -30.6915 -30.6915 -30.6901 -30.6901 -30.6126 -30.6126 -30.6082 -30.6082 -1.3768 -1.3768 2.8214 2.8214 2.8251 2.8251 3.1636 3.1636 3.1696 3.1696 3.2323 3.2323 4.6300 4.6300 7.2187 7.2187 7.5964 7.5964 7.8703 7.8703 12.6566 12.6566 12.7015 12.7015 13.8487 13.8487 14.0114 14.0114 15.0925 15.0925 17.8327 17.8327 k = 0.0877 0.0877-0.0000 ( 3095 PWs) bands (ev): -64.0234 -64.0234 -64.0019 -64.0019 -64.0015 -64.0015 -30.9882 -30.9882 -30.9872 -30.9872 -30.9314 -30.9314 -30.7148 -30.7148 -30.7135 -30.7135 -30.6917 -30.6917 -30.6902 -30.6902 -30.6118 -30.6118 -30.6080 -30.6080 -1.3968 -1.3968 2.8214 2.8214 2.8244 2.8244 3.1643 3.1643 3.1692 3.1692 3.2336 3.2336 4.6648 4.6648 7.2638 7.2638 7.5796 7.5796 7.8111 7.8111 12.7300 12.7300 12.7647 12.7647 13.8991 13.8991 14.0058 14.0058 14.9645 14.9645 17.9147 17.9147 k = 0.0789 0.0789-0.0000 ( 3099 PWs) bands (ev): -64.0236 -64.0236 -64.0018 -64.0018 -64.0015 -64.0015 -30.9884 -30.9884 -30.9875 -30.9875 -30.9311 -30.9311 -30.7148 -30.7148 -30.7138 -30.7138 -30.6920 -30.6920 -30.6902 -30.6902 -30.6110 -30.6110 -30.6079 -30.6079 -1.4149 -1.4149 2.8213 2.8213 2.8236 2.8236 3.1648 3.1648 3.1688 3.1688 3.2349 3.2349 4.6982 4.6982 7.3057 7.3057 7.5642 7.5642 7.7558 7.7558 12.7757 12.7757 12.8404 12.8404 13.9426 13.9426 14.0173 14.0173 14.8434 14.8434 17.9946 17.9946 k = 0.0702 0.0702-0.0000 ( 3101 PWs) bands (ev): -64.0237 -64.0237 -64.0017 -64.0017 -64.0015 -64.0015 -30.9885 -30.9885 -30.9878 -30.9878 -30.9308 -30.9308 -30.7149 -30.7149 -30.7140 -30.7140 -30.6923 -30.6923 -30.6902 -30.6902 -30.6102 -30.6102 -30.6078 -30.6078 -1.4313 -1.4313 2.8211 2.8211 2.8230 2.8230 3.1653 3.1653 3.1685 3.1685 3.2360 3.2360 4.7297 4.7297 7.3440 7.3440 7.5501 7.5501 7.7047 7.7047 12.8183 12.8183 12.9032 12.9032 13.9780 13.9780 14.0458 14.0458 14.7300 14.7300 18.0718 18.0718 k = 0.0614 0.0614-0.0000 ( 3111 PWs) bands (ev): -64.0238 -64.0238 -64.0016 -64.0016 -64.0014 -64.0014 -30.9886 -30.9886 -30.9882 -30.9882 -30.9306 -30.9306 -30.7149 -30.7149 -30.7142 -30.7142 -30.6926 -30.6926 -30.6902 -30.6902 -30.6096 -30.6096 -30.6078 -30.6078 -1.4458 -1.4458 2.8210 2.8210 2.8224 2.8224 3.1658 3.1658 3.1682 3.1682 3.2370 3.2370 4.7590 4.7590 7.3785 7.3785 7.5377 7.5377 7.6583 7.6583 12.8599 12.8599 12.9513 12.9513 14.0101 14.0101 14.0837 14.0837 14.6252 14.6252 18.1451 18.1451 k = 0.0526 0.0526-0.0000 ( 3103 PWs) bands (ev): -64.0239 -64.0239 -64.0015 -64.0015 -64.0014 -64.0014 -30.9888 -30.9888 -30.9884 -30.9884 -30.9303 -30.9303 -30.7149 -30.7149 -30.7144 -30.7144 -30.6929 -30.6929 -30.6902 -30.6902 -30.6090 -30.6090 -30.6076 -30.6076 -1.4584 -1.4584 2.8209 2.8209 2.8219 2.8219 3.1662 3.1662 3.1679 3.1679 3.2378 3.2378 4.7855 4.7855 7.4089 7.4089 7.5268 7.5268 7.6170 7.6170 12.9002 12.9002 12.9862 12.9862 14.0428 14.0428 14.1234 14.1234 14.5302 14.5302 18.2136 18.2136 k = 0.0439 0.0439-0.0000 ( 3113 PWs) bands (ev): -64.0240 -64.0240 -64.0015 -64.0015 -64.0014 -64.0014 -30.9889 -30.9889 -30.9886 -30.9886 -30.9301 -30.9301 -30.7149 -30.7149 -30.7146 -30.7146 -30.6931 -30.6931 -30.6901 -30.6901 -30.6086 -30.6086 -30.6076 -30.6076 -1.4692 -1.4692 2.8208 2.8208 2.8215 2.8215 3.1665 3.1665 3.1677 3.1677 3.2386 3.2386 4.8088 4.8088 7.4351 7.4351 7.5175 7.5175 7.5811 7.5811 12.9383 12.9383 13.0102 13.0102 14.0749 14.0749 14.1608 14.1608 14.4463 14.4463 18.2756 18.2756 k = 0.0351 0.0351-0.0000 ( 3101 PWs) bands (ev): -64.0241 -64.0241 -64.0014 -64.0014 -64.0014 -64.0014 -30.9890 -30.9890 -30.9888 -30.9888 -30.9299 -30.9299 -30.7149 -30.7149 -30.7147 -30.7147 -30.6932 -30.6932 -30.6901 -30.6901 -30.6081 -30.6081 -30.6075 -30.6075 -1.4780 -1.4780 2.8207 2.8207 2.8212 2.8212 3.1668 3.1668 3.1676 3.1676 3.2392 3.2392 4.8285 4.8285 7.4567 7.4567 7.5098 7.5098 7.5513 7.5513 12.9730 12.9730 13.0260 13.0260 14.1036 14.1036 14.1944 14.1944 14.3757 14.3757 18.3296 18.3296 k = 0.0263 0.0263-0.0000 ( 3101 PWs) bands (ev): -64.0241 -64.0241 -64.0014 -64.0014 -64.0014 -64.0014 -30.9890 -30.9890 -30.9889 -30.9889 -30.9298 -30.9298 -30.7150 -30.7150 -30.7148 -30.7148 -30.6934 -30.6934 -30.6901 -30.6901 -30.6078 -30.6078 -30.6074 -30.6074 -1.4849 -1.4849 2.8206 2.8206 2.8209 2.8209 3.1670 3.1670 3.1674 3.1674 3.2397 3.2397 4.8443 4.8443 7.4737 7.4737 7.5039 7.5039 7.5277 7.5277 13.0028 13.0028 13.0359 13.0359 14.1248 14.1248 14.2225 14.2225 14.3211 14.3211 18.3738 18.3738 k = 0.0175 0.0175-0.0000 ( 3101 PWs) bands (ev): -64.0241 -64.0241 -64.0014 -64.0014 -64.0014 -64.0014 -30.9891 -30.9891 -30.9890 -30.9890 -30.9297 -30.9297 -30.7150 -30.7150 -30.7149 -30.7149 -30.6935 -30.6935 -30.6900 -30.6900 -30.6076 -30.6076 -30.6074 -30.6074 -1.4898 -1.4898 2.8206 2.8206 2.8207 2.8207 3.1672 3.1672 3.1673 3.1673 3.2400 3.2400 4.8559 4.8559 7.4855 7.4855 7.4997 7.4997 7.5109 7.5109 13.0259 13.0259 13.0418 13.0418 14.1362 14.1362 14.2439 14.2439 14.2850 14.2850 18.4065 18.4065 k = 0.0088 0.0088-0.0000 ( 3113 PWs) bands (ev): -64.0242 -64.0242 -64.0014 -64.0014 -64.0014 -64.0014 -30.9891 -30.9891 -30.9891 -30.9891 -30.9297 -30.9297 -30.7150 -30.7150 -30.7150 -30.7150 -30.6936 -30.6936 -30.6901 -30.6901 -30.6074 -30.6074 -30.6074 -30.6074 -1.4927 -1.4927 2.8205 2.8205 2.8205 2.8205 3.1672 3.1672 3.1673 3.1673 3.2402 3.2402 4.8629 4.8629 7.4909 7.4909 7.4981 7.4981 7.5014 7.5014 13.0406 13.0406 13.0447 13.0447 14.1389 14.1389 14.2574 14.2574 14.2669 14.2669 18.4256 18.4256 k = 0.0000 0.0000 0.0000 ( 3119 PWs) bands (ev): -64.0242 -64.0242 -64.0014 -64.0014 -64.0014 -64.0014 -30.9891 -30.9891 -30.9891 -30.9891 -30.9297 -30.9297 -30.7150 -30.7150 -30.7150 -30.7150 -30.6936 -30.6936 -30.6901 -30.6901 -30.6074 -30.6074 -30.6074 -30.6074 -1.4937 -1.4937 2.8205 2.8205 2.8205 2.8205 3.1672 3.1672 3.1672 3.1672 3.2403 3.2403 4.8652 4.8652 7.4910 7.4910 7.4987 7.4987 7.4987 7.4987 13.0456 13.0456 13.0456 13.0456 14.1387 14.1387 14.2619 14.2619 14.2619 14.2619 18.4309 18.4309 k = 0.0000 0.0000 0.0000 ( 3119 PWs) bands (ev): -64.0242 -64.0242 -64.0014 -64.0014 -64.0014 -64.0014 -30.9891 -30.9891 -30.9891 -30.9891 -30.9297 -30.9297 -30.7150 -30.7150 -30.7150 -30.7150 -30.6936 -30.6936 -30.6901 -30.6901 -30.6074 -30.6074 -30.6074 -30.6074 -1.4937 -1.4937 2.8205 2.8205 2.8205 2.8205 3.1672 3.1672 3.1672 3.1672 3.2403 3.2403 4.8652 4.8652 7.4910 7.4910 7.4987 7.4987 7.4987 7.4987 13.0456 13.0456 13.0456 13.0456 14.1387 14.1387 14.2619 14.2619 14.2619 14.2619 18.4309 18.4309 k = 0.0071 0.0071 0.0071 ( 3116 PWs) bands (ev): -64.0242 -64.0242 -64.0014 -64.0014 -64.0014 -64.0014 -30.9891 -30.9891 -30.9891 -30.9891 -30.9297 -30.9297 -30.7150 -30.7150 -30.7150 -30.7150 -30.6936 -30.6936 -30.6901 -30.6901 -30.6074 -30.6074 -30.6074 -30.6074 -1.4927 -1.4927 2.8205 2.8205 2.8205 2.8205 3.1672 3.1672 3.1673 3.1673 3.2402 3.2402 4.8629 4.8629 7.4909 7.4909 7.4974 7.4974 7.5021 7.5021 13.0424 13.0424 13.0429 13.0429 14.1388 14.1388 14.2575 14.2575 14.2668 14.2668 18.4257 18.4257 k = 0.0143 0.0143 0.0143 ( 3098 PWs) bands (ev): -64.0241 -64.0241 -64.0014 -64.0014 -64.0014 -64.0014 -30.9890 -30.9890 -30.9890 -30.9890 -30.9297 -30.9297 -30.7150 -30.7150 -30.7149 -30.7149 -30.6935 -30.6935 -30.6900 -30.6900 -30.6076 -30.6076 -30.6074 -30.6074 -1.4898 -1.4898 2.8206 2.8206 2.8207 2.8207 3.1671 3.1671 3.1674 3.1674 3.2400 3.2400 4.8559 4.8559 7.4878 7.4878 7.4934 7.4934 7.5149 7.5149 13.0330 13.0330 13.0347 13.0347 14.1340 14.1340 14.2498 14.2498 14.2815 14.2815 18.4102 18.4102 k = 0.0214 0.0214 0.0214 ( 3098 PWs) bands (ev): -64.0241 -64.0241 -64.0014 -64.0014 -64.0014 -64.0014 -30.9890 -30.9890 -30.9889 -30.9889 -30.9298 -30.9298 -30.7150 -30.7150 -30.7148 -30.7148 -30.6934 -30.6934 -30.6901 -30.6901 -30.6078 -30.6078 -30.6074 -30.6074 -1.4849 -1.4849 2.8207 2.8207 2.8209 2.8209 3.1670 3.1670 3.1675 3.1675 3.2397 3.2397 4.8445 4.8445 7.4813 7.4813 7.4866 7.4866 7.5372 7.5372 13.0177 13.0177 13.0213 13.0213 14.1096 14.1096 14.2538 14.2538 14.3055 14.3055 18.3850 18.3850 k = 0.0286 0.0286 0.0286 ( 3104 PWs) bands (ev): -64.0241 -64.0241 -64.0014 -64.0014 -64.0014 -64.0014 -30.9889 -30.9889 -30.9888 -30.9888 -30.9300 -30.9300 -30.7150 -30.7150 -30.7147 -30.7147 -30.6932 -30.6932 -30.6901 -30.6901 -30.6082 -30.6082 -30.6074 -30.6074 -1.4781 -1.4781 2.8207 2.8207 2.8212 2.8212 3.1667 3.1667 3.1676 3.1676 3.2392 3.2392 4.8290 4.8290 7.4721 7.4721 7.4772 7.4772 7.5681 7.5681 12.9969 12.9969 13.0029 13.0029 14.0584 14.0584 14.2772 14.2772 14.3384 14.3384 18.3510 18.3510 k = 0.0357 0.0357 0.0357 ( 3104 PWs) bands (ev): -64.0240 -64.0240 -64.0014 -64.0014 -64.0014 -64.0014 -30.9888 -30.9888 -30.9887 -30.9887 -30.9301 -30.9301 -30.7150 -30.7150 -30.7146 -30.7146 -30.6931 -30.6931 -30.6901 -30.6901 -30.6086 -30.6086 -30.6075 -30.6075 -1.4693 -1.4693 2.8208 2.8208 2.8215 2.8215 3.1664 3.1664 3.1678 3.1678 3.2386 3.2386 4.8097 4.8097 7.4602 7.4602 7.4652 7.4652 7.6073 7.6073 12.9712 12.9712 12.9800 12.9800 13.9861 13.9861 14.3157 14.3157 14.3799 14.3799 18.3094 18.3094 k = 0.0429 0.0429 0.0429 ( 3098 PWs) bands (ev): -64.0239 -64.0239 -64.0015 -64.0015 -64.0015 -64.0015 -30.9886 -30.9886 -30.9885 -30.9885 -30.9303 -30.9303 -30.7149 -30.7149 -30.7144 -30.7144 -30.6929 -30.6929 -30.6901 -30.6901 -30.6091 -30.6091 -30.6075 -30.6075 -1.4586 -1.4586 2.8210 2.8210 2.8219 2.8219 3.1661 3.1661 3.1681 3.1681 3.2378 3.2378 4.7871 4.7871 7.4460 7.4460 7.4509 7.4509 7.6541 7.6541 12.9411 12.9411 12.9530 12.9530 13.8977 13.8977 14.3653 14.3653 14.4292 14.4292 18.2613 18.2613 k = 0.0500 0.0500 0.0500 ( 3104 PWs) bands (ev): -64.0238 -64.0238 -64.0015 -64.0015 -64.0015 -64.0015 -30.9885 -30.9885 -30.9883 -30.9883 -30.9306 -30.9306 -30.7150 -30.7150 -30.7141 -30.7141 -30.6926 -30.6926 -30.6902 -30.6902 -30.6097 -30.6097 -30.6077 -30.6077 -1.4460 -1.4460 2.8211 2.8211 2.8224 2.8224 3.1657 3.1657 3.1683 3.1683 3.2369 3.2369 4.7617 4.7617 7.4293 7.4293 7.4341 7.4341 7.7079 7.7079 12.9072 12.9072 12.9221 12.9221 13.7967 13.7967 14.4235 14.4235 14.4858 14.4858 18.2081 18.2081 k = 0.0571 0.0571 0.0571 ( 3098 PWs) bands (ev): -64.0237 -64.0237 -64.0016 -64.0016 -64.0016 -64.0016 -30.9883 -30.9883 -30.9881 -30.9881 -30.9308 -30.9308 -30.7150 -30.7150 -30.7139 -30.7139 -30.6924 -30.6924 -30.6902 -30.6902 -30.6103 -30.6103 -30.6077 -30.6077 -1.4316 -1.4316 2.8213 2.8213 2.8230 2.8230 3.1653 3.1653 3.1687 3.1687 3.2359 3.2359 4.7339 4.7339 7.4105 7.4105 7.4152 7.4152 7.7682 7.7682 12.8697 12.8697 12.8877 12.8877 13.6856 13.6856 14.4895 14.4895 14.5494 14.5494 18.1511 18.1511 k = 0.0643 0.0643 0.0643 ( 3095 PWs) bands (ev): -64.0236 -64.0236 -64.0016 -64.0016 -64.0016 -64.0016 -30.9880 -30.9880 -30.9878 -30.9878 -30.9311 -30.9311 -30.7150 -30.7150 -30.7136 -30.7136 -30.6921 -30.6921 -30.6901 -30.6901 -30.6111 -30.6111 -30.6078 -30.6078 -1.4152 -1.4152 2.8215 2.8215 2.8237 2.8237 3.1648 3.1648 3.1691 3.1691 3.2348 3.2348 4.7043 4.7043 7.3897 7.3897 7.3942 7.3942 7.8344 7.8344 12.8289 12.8289 12.8500 12.8500 13.5663 13.5663 14.5621 14.5621 14.6193 14.6193 18.0913 18.0913 k = 0.0714 0.0714 0.0714 ( 3101 PWs) bands (ev): -64.0235 -64.0235 -64.0017 -64.0017 -64.0017 -64.0017 -30.9878 -30.9878 -30.9876 -30.9876 -30.9314 -30.9314 -30.7150 -30.7150 -30.7133 -30.7133 -30.6919 -30.6919 -30.6901 -30.6901 -30.6119 -30.6119 -30.6079 -30.6079 -1.3971 -1.3971 2.8217 2.8217 2.8243 2.8243 3.1643 3.1643 3.1695 3.1695 3.2335 3.2335 4.6733 4.6733 7.3669 7.3669 7.3712 7.3712 7.9057 7.9057 12.7851 12.7851 12.8090 12.8090 13.4406 13.4406 14.6408 14.6408 14.6951 14.6951 18.0300 18.0300 k = 0.0786 0.0786 0.0786 ( 3101 PWs) bands (ev): -64.0233 -64.0233 -64.0018 -64.0018 -64.0018 -64.0018 -30.9876 -30.9876 -30.9873 -30.9873 -30.9317 -30.9317 -30.7151 -30.7151 -30.7130 -30.7130 -30.6917 -30.6917 -30.6900 -30.6900 -30.6128 -30.6128 -30.6080 -30.6080 -1.3772 -1.3772 2.8219 2.8219 2.8251 2.8251 3.1638 3.1638 3.1700 3.1700 3.2321 3.2321 4.6413 4.6413 7.3424 7.3424 7.3465 7.3465 7.9817 7.9817 12.7383 12.7383 12.7650 12.7650 13.3101 13.3101 14.7251 14.7251 14.7763 14.7763 17.9682 17.9682 k = 0.0857 0.0857 0.0857 ( 3095 PWs) bands (ev): -64.0231 -64.0231 -64.0019 -64.0019 -64.0019 -64.0019 -30.9873 -30.9873 -30.9870 -30.9870 -30.9321 -30.9321 -30.7151 -30.7151 -30.7126 -30.7126 -30.6915 -30.6915 -30.6897 -30.6897 -30.6137 -30.6137 -30.6081 -30.6081 -1.3555 -1.3555 2.8221 2.8221 2.8260 2.8260 3.1632 3.1632 3.1705 3.1705 3.2306 3.2306 4.6089 4.6089 7.3163 7.3163 7.3203 7.3203 8.0617 8.0617 12.6886 12.6886 12.7180 12.7180 13.1761 13.1761 14.8145 14.8145 14.8627 14.8627 17.9070 17.9070 k = 0.0929 0.0929 0.0929 ( 3095 PWs) bands (ev): -64.0230 -64.0230 -64.0019 -64.0019 -64.0019 -64.0019 -30.9871 -30.9871 -30.9866 -30.9866 -30.9324 -30.9324 -30.7152 -30.7152 -30.7122 -30.7122 -30.6915 -30.6915 -30.6894 -30.6894 -30.6146 -30.6146 -30.6082 -30.6082 -1.3321 -1.3321 2.8223 2.8223 2.8269 2.8269 3.1627 3.1627 3.1711 3.1711 3.2290 3.2290 4.5764 4.5764 7.2888 7.2888 7.2926 7.2926 8.1450 8.1450 12.6360 12.6360 12.6679 12.6679 13.0399 13.0399 14.9085 14.9085 14.9537 14.9537 17.8472 17.8472 k = 0.1000 0.1000 0.1000 ( 3101 PWs) bands (ev): -64.0228 -64.0228 -64.0020 -64.0020 -64.0020 -64.0020 -30.9868 -30.9868 -30.9863 -30.9863 -30.9329 -30.9329 -30.7153 -30.7153 -30.7118 -30.7118 -30.6915 -30.6915 -30.6889 -30.6889 -30.6157 -30.6157 -30.6083 -30.6083 -1.3071 -1.3071 2.8225 2.8225 2.8279 2.8279 3.1622 3.1622 3.1717 3.1717 3.2272 3.2272 4.5440 4.5440 7.2601 7.2601 7.2637 7.2637 8.2310 8.2310 12.5803 12.5803 12.6148 12.6148 12.9027 12.9027 15.0069 15.0069 15.0490 15.0490 17.7898 17.7898 k = 0.1071 0.1071 0.1071 ( 3101 PWs) bands (ev): -64.0226 -64.0226 -64.0021 -64.0021 -64.0021 -64.0021 -30.9865 -30.9865 -30.9859 -30.9859 -30.9334 -30.9334 -30.7155 -30.7155 -30.7113 -30.7113 -30.6915 -30.6915 -30.6884 -30.6884 -30.6168 -30.6168 -30.6084 -30.6084 -1.2804 -1.2804 2.8227 2.8227 2.8289 2.8289 3.1617 3.1617 3.1724 3.1724 3.2253 3.2253 4.5122 4.5122 7.2304 7.2304 7.2337 7.2337 8.3191 8.3191 12.5213 12.5213 12.5586 12.5586 12.7657 12.7657 15.1092 15.1092 15.1482 15.1482 17.7354 17.7354 k = 0.1143 0.1143 0.1143 ( 3101 PWs) bands (ev): -64.0223 -64.0223 -64.0022 -64.0022 -64.0022 -64.0022 -30.9862 -30.9862 -30.9856 -30.9856 -30.9338 -30.9338 -30.7157 -30.7157 -30.7109 -30.7109 -30.6915 -30.6915 -30.6879 -30.6879 -30.6179 -30.6179 -30.6085 -30.6085 -1.2522 -1.2522 2.8229 2.8229 2.8300 2.8300 3.1613 3.1613 3.1731 3.1731 3.2234 3.2234 4.4812 4.4812 7.1998 7.1998 7.2028 7.2028 8.4084 8.4084 12.4586 12.4586 12.4995 12.4995 12.6305 12.6305 15.2151 15.2151 15.2510 15.2510 17.6848 17.6849 k = 0.1214 0.1214 0.1214 ( 3104 PWs) bands (ev): -64.0221 -64.0221 -64.0024 -64.0024 -64.0024 -64.0024 -30.9859 -30.9859 -30.9852 -30.9852 -30.9344 -30.9344 -30.7159 -30.7159 -30.7104 -30.7104 -30.6916 -30.6916 -30.6873 -30.6873 -30.6190 -30.6190 -30.6086 -30.6086 -1.2224 -1.2224 2.8231 2.8231 2.8312 2.8312 3.1609 3.1609 3.1739 3.1739 3.2214 3.2214 4.4512 4.4512 7.1685 7.1685 7.1713 7.1713 8.4984 8.4984 12.3906 12.3906 12.4372 12.4372 12.4994 12.4994 15.3241 15.3241 15.3568 15.3568 17.6376 17.6376 k = 0.1286 0.1286 0.1286 ( 3104 PWs) bands (ev): -64.0219 -64.0219 -64.0025 -64.0025 -64.0025 -64.0025 -30.9856 -30.9856 -30.9848 -30.9848 -30.9349 -30.9349 -30.7162 -30.7162 -30.7098 -30.7098 -30.6916 -30.6916 -30.6867 -30.6867 -30.6202 -30.6202 -30.6087 -30.6087 -1.1913 -1.1913 2.8233 2.8233 2.8325 2.8325 3.1606 3.1606 3.1747 3.1747 3.2194 3.2194 4.4224 4.4224 7.1367 7.1367 7.1392 7.1392 8.5882 8.5882 12.3112 12.3112 12.3719 12.3719 12.3796 12.3796 15.4356 15.4356 15.4650 15.4650 17.5951 17.5953 k = 0.1357 0.1357 0.1357 ( 3110 PWs) bands (ev): -64.0216 -64.0216 -64.0026 -64.0026 -64.0026 -64.0026 -30.9852 -30.9852 -30.9845 -30.9845 -30.9355 -30.9355 -30.7165 -30.7165 -30.7093 -30.7093 -30.6917 -30.6917 -30.6860 -30.6860 -30.6213 -30.6213 -30.6088 -30.6088 -1.1587 -1.1587 2.8234 2.8234 2.8338 2.8338 3.1603 3.1603 3.1756 3.1756 3.2173 3.2173 4.3951 4.3951 7.1045 7.1045 7.1067 7.1067 8.6766 8.6766 12.2085 12.2085 12.2840 12.2840 12.3034 12.3034 15.5491 15.5491 15.5752 15.5752 17.5584 17.5584 k = 0.1429 0.1429 0.1429 ( 3116 PWs) bands (ev): -64.0214 -64.0214 -64.0027 -64.0027 -64.0027 -64.0027 -30.9849 -30.9849 -30.9841 -30.9841 -30.9361 -30.9361 -30.7168 -30.7168 -30.7087 -30.7087 -30.6917 -30.6917 -30.6854 -30.6854 -30.6225 -30.6225 -30.6089 -30.6089 -1.1248 -1.1248 2.8235 2.8235 2.8353 2.8353 3.1602 3.1602 3.1765 3.1765 3.2152 3.2152 4.3694 4.3694 7.0721 7.0721 7.0740 7.0740 8.7629 8.7629 12.0926 12.0926 12.2037 12.2037 12.2320 12.2320 15.6640 15.6640 15.6865 15.6865 17.5282 17.5282 k = 0.1500 0.1500 0.1500 ( 3110 PWs) bands (ev): -64.0211 -64.0211 -64.0029 -64.0029 -64.0029 -64.0029 -30.9846 -30.9846 -30.9837 -30.9837 -30.9368 -30.9368 -30.7171 -30.7171 -30.7081 -30.7081 -30.6918 -30.6918 -30.6847 -30.6847 -30.6237 -30.6237 -30.6090 -30.6090 -1.0897 -1.0897 2.8236 2.8236 2.8368 2.8368 3.1601 3.1601 3.1775 3.1775 3.2132 3.2132 4.3455 4.3455 7.0398 7.0398 7.0414 7.0414 8.8458 8.8458 11.9778 11.9778 12.1257 12.1257 12.1576 12.1576 15.7793 15.7793 15.7981 15.7981 17.5056 17.5056 k = 0.1571 0.1571 0.1571 ( 3110 PWs) bands (ev): -64.0208 -64.0208 -64.0030 -64.0030 -64.0030 -64.0030 -30.9842 -30.9842 -30.9833 -30.9833 -30.9375 -30.9375 -30.7175 -30.7175 -30.7074 -30.7074 -30.6918 -30.6918 -30.6840 -30.6840 -30.6248 -30.6248 -30.6091 -30.6091 -1.0534 -1.0534 2.8236 2.8236 2.8384 2.8384 3.1602 3.1602 3.1786 3.1786 3.2113 3.2113 4.3235 4.3235 7.0076 7.0076 7.0088 7.0088 8.9239 8.9239 11.8690 11.8690 12.0464 12.0464 12.0803 12.0803 15.8941 15.8941 15.9088 15.9088 17.4914 17.4915 k = 0.1643 0.1643 0.1643 ( 3128 PWs) bands (ev): -64.0205 -64.0205 -64.0032 -64.0032 -64.0032 -64.0032 -30.9839 -30.9839 -30.9829 -30.9829 -30.9382 -30.9382 -30.7180 -30.7180 -30.7068 -30.7068 -30.6919 -30.6919 -30.6834 -30.6834 -30.6259 -30.6259 -30.6092 -30.6092 -1.0161 -1.0161 2.8235 2.8235 2.8401 2.8401 3.1602 3.1602 3.1796 3.1796 3.2095 3.2095 4.3035 4.3035 6.9756 6.9756 6.9764 6.9764 8.9955 8.9955 11.7684 11.7684 11.9651 11.9651 12.0001 12.0001 16.0069 16.0069 16.0175 16.0175 17.4869 17.4869 k = 0.1714 0.1714 0.1714 ( 3122 PWs) bands (ev): -64.0202 -64.0202 -64.0033 -64.0033 -64.0033 -64.0033 -30.9835 -30.9835 -30.9825 -30.9825 -30.9390 -30.9390 -30.7185 -30.7185 -30.7060 -30.7060 -30.6919 -30.6919 -30.6827 -30.6827 -30.6270 -30.6270 -30.6093 -30.6093 -0.9777 -0.9777 2.8235 2.8235 2.8420 2.8420 3.1603 3.1603 3.1808 3.1808 3.2079 3.2079 4.2856 4.2856 6.9441 6.9441 6.9445 6.9445 9.0590 9.0590 11.6782 11.6782 11.8817 11.8817 11.9172 11.9172 16.1163 16.1163 16.1224 16.1224 17.4937 17.4937 k = 0.1786 0.1786 0.1786 ( 3110 PWs) bands (ev): -64.0199 -64.0199 -64.0035 -64.0035 -64.0035 -64.0035 -30.9831 -30.9831 -30.9821 -30.9821 -30.9397 -30.9397 -30.7190 -30.7190 -30.7053 -30.7053 -30.6919 -30.6919 -30.6820 -30.6820 -30.6279 -30.6279 -30.6093 -30.6093 -0.9384 -0.9384 2.8234 2.8234 2.8439 2.8439 3.1603 3.1603 3.1821 3.1821 3.2067 3.2067 4.2699 4.2699 6.9131 6.9131 6.9132 6.9132 9.1124 9.1124 11.5999 11.5999 11.7962 11.7962 11.8318 11.8318 16.2207 16.2207 16.2222 16.2222 17.5133 17.5133 k = 0.1857 0.1857 0.1857 ( 3110 PWs) bands (ev): -64.0196 -64.0196 -64.0036 -64.0036 -64.0036 -64.0036 -30.9828 -30.9828 -30.9817 -30.9817 -30.9405 -30.9405 -30.7195 -30.7195 -30.7045 -30.7045 -30.6919 -30.6919 -30.6815 -30.6815 -30.6288 -30.6288 -30.6094 -30.6094 -0.8983 -0.8983 2.8232 2.8232 2.8459 2.8459 3.1603 3.1603 3.1834 3.1834 3.2057 3.2057 4.2566 4.2566 6.8825 6.8825 6.8828 6.8828 9.1540 9.1540 11.5353 11.5353 11.7089 11.7089 11.7440 11.7440 16.3148 16.3148 16.3178 16.3178 17.5476 17.5476 k = 0.1929 0.1929 0.1929 ( 3113 PWs) bands (ev): -64.0193 -64.0193 -64.0038 -64.0038 -64.0038 -64.0038 -30.9825 -30.9825 -30.9813 -30.9813 -30.9414 -30.9414 -30.7201 -30.7201 -30.7038 -30.7038 -30.6919 -30.6919 -30.6809 -30.6809 -30.6296 -30.6296 -30.6094 -30.6094 -0.8575 -0.8575 2.8229 2.8229 2.8480 2.8480 3.1600 3.1600 3.1848 3.1848 3.2052 3.2052 4.2457 4.2457 6.8526 6.8526 6.8532 6.8532 9.1819 9.1819 11.4850 11.4850 11.6205 11.6205 11.6539 11.6539 16.3989 16.3989 16.4061 16.4061 17.5980 17.5980 k = 0.2000 0.2000 0.2000 ( 3113 PWs) bands (ev): -64.0190 -64.0190 -64.0039 -64.0039 -64.0039 -64.0039 -30.9821 -30.9821 -30.9809 -30.9809 -30.9422 -30.9422 -30.7207 -30.7207 -30.7030 -30.7030 -30.6920 -30.6920 -30.6804 -30.6804 -30.6304 -30.6304 -30.6095 -30.6095 -0.8160 -0.8160 2.8225 2.8225 2.8502 2.8502 3.1595 3.1595 3.1862 3.1862 3.2053 3.2053 4.2374 4.2374 6.8235 6.8235 6.8246 6.8246 9.1950 9.1950 11.4476 11.4476 11.5337 11.5337 11.5618 11.5618 16.4734 16.4734 16.4842 16.4842 17.6656 17.6656 k = 0.2071 0.2071 0.2071 ( 3107 PWs) bands (ev): -64.0186 -64.0186 -64.0041 -64.0041 -64.0041 -64.0041 -30.9818 -30.9818 -30.9806 -30.9806 -30.9431 -30.9431 -30.7213 -30.7213 -30.7021 -30.7021 -30.6920 -30.6920 -30.6800 -30.6800 -30.6309 -30.6309 -30.6095 -30.6095 -0.7740 -0.7740 2.8221 2.8221 2.8525 2.8525 3.1588 3.1588 3.1877 3.1877 3.2059 3.2059 4.2318 4.2318 6.7955 6.7955 6.7969 6.7969 9.1928 9.1928 11.4043 11.4043 11.4677 11.4677 11.4678 11.4678 16.5384 16.5384 16.5519 16.5519 17.7506 17.7506 k = 0.2143 0.2143 0.2143 ( 3113 PWs) bands (ev): -64.0183 -64.0183 -64.0042 -64.0042 -64.0042 -64.0042 -30.9815 -30.9815 -30.9802 -30.9802 -30.9441 -30.9441 -30.7220 -30.7220 -30.7013 -30.7013 -30.6921 -30.6921 -30.6797 -30.6797 -30.6314 -30.6314 -30.6096 -30.6096 -0.7316 -0.7316 2.8215 2.8215 2.8548 2.8548 3.1577 3.1577 3.1893 3.1893 3.2070 3.2070 4.2291 4.2291 6.7686 6.7686 6.7704 6.7704 9.1753 9.1753 11.3240 11.3240 11.3721 11.3721 11.4529 11.4529 16.5941 16.5941 16.6096 16.6096 17.8521 17.8521 k = 0.2214 0.2214 0.2214 ( 3110 PWs) bands (ev): -64.0179 -64.0179 -64.0044 -64.0044 -64.0044 -64.0044 -30.9811 -30.9811 -30.9799 -30.9799 -30.9450 -30.9450 -30.7227 -30.7227 -30.7005 -30.7005 -30.6922 -30.6922 -30.6794 -30.6794 -30.6317 -30.6317 -30.6096 -30.6096 -0.6889 -0.6889 2.8209 2.8209 2.8571 2.8571 3.1564 3.1564 3.1909 3.1909 3.2087 3.2087 4.2293 4.2293 6.7428 6.7428 6.7450 6.7450 9.1435 9.1435 11.2305 11.2305 11.2749 11.2749 11.4643 11.4643 16.6420 16.6420 16.6585 16.6585 17.7623 17.7623 k = 0.2286 0.2286 0.2286 ( 3110 PWs) bands (ev): -64.0176 -64.0176 -64.0046 -64.0046 -64.0046 -64.0046 -30.9808 -30.9808 -30.9796 -30.9796 -30.9459 -30.9459 -30.7234 -30.7234 -30.6996 -30.6996 -30.6923 -30.6923 -30.6791 -30.6791 -30.6319 -30.6319 -30.6096 -30.6096 -0.6459 -0.6459 2.8202 2.8202 2.8594 2.8594 3.1549 3.1549 3.1925 3.1925 3.2108 3.2108 4.2326 4.2326 6.7184 6.7184 6.7210 6.7210 9.0991 9.0991 11.1337 11.1337 11.1764 11.1764 11.4901 11.4901 16.6834 16.6834 16.7002 16.7002 17.5332 17.5332 k = 0.2357 0.2357 0.2357 ( 3121 PWs) bands (ev): -64.0173 -64.0173 -64.0048 -64.0048 -64.0048 -64.0048 -30.9806 -30.9806 -30.9793 -30.9793 -30.9469 -30.9469 -30.7242 -30.7242 -30.6988 -30.6988 -30.6924 -30.6924 -30.6790 -30.6790 -30.6319 -30.6319 -30.6096 -30.6096 -0.6028 -0.6028 2.8194 2.8194 2.8616 2.8616 3.1532 3.1532 3.1942 3.1942 3.2133 3.2133 4.2392 4.2392 6.6953 6.6953 6.6982 6.6982 9.0437 9.0437 11.0350 11.0350 11.0768 11.0768 11.5262 11.5262 16.7197 16.7197 16.7364 16.7364 17.3114 17.3114 k = 0.2429 0.2429 0.2429 ( 3121 PWs) bands (ev): -64.0169 -64.0169 -64.0049 -64.0049 -64.0049 -64.0049 -30.9803 -30.9803 -30.9790 -30.9790 -30.9480 -30.9480 -30.7249 -30.7249 -30.6979 -30.6979 -30.6925 -30.6925 -30.6790 -30.6790 -30.6318 -30.6318 -30.6096 -30.6096 -0.5597 -0.5597 2.8185 2.8185 2.8637 2.8637 3.1513 3.1513 3.1960 3.1960 3.2160 3.2160 4.2492 4.2492 6.6737 6.6737 6.6770 6.6770 8.9795 8.9795 10.9352 10.9352 10.9763 10.9763 11.5692 11.5692 16.7523 16.7523 16.7685 16.7685 17.0979 17.0979 k = 0.2500 0.2500 0.2500 ( 3115 PWs) bands (ev): -64.0166 -64.0166 -64.0051 -64.0051 -64.0051 -64.0051 -30.9800 -30.9800 -30.9788 -30.9788 -30.9490 -30.9490 -30.7257 -30.7257 -30.6970 -30.6970 -30.6927 -30.6927 -30.6789 -30.6789 -30.6316 -30.6316 -30.6095 -30.6095 -0.5166 -0.5166 2.8175 2.8175 2.8657 2.8657 3.1493 3.1493 3.1979 3.1979 3.2189 3.2189 4.2629 4.2629 6.6535 6.6535 6.6572 6.6572 8.9082 8.9082 10.8346 10.8346 10.8751 10.8751 11.6161 11.6161 16.7821 16.7821 16.7976 16.7976 16.8939 16.8939 k = 0.2571 0.2571 0.2571 ( 3127 PWs) bands (ev): -64.0162 -64.0162 -64.0053 -64.0053 -64.0053 -64.0053 -30.9798 -30.9798 -30.9786 -30.9786 -30.9500 -30.9500 -30.7265 -30.7265 -30.6961 -30.6961 -30.6930 -30.6930 -30.6790 -30.6790 -30.6312 -30.6312 -30.6095 -30.6095 -0.4737 -0.4737 2.8163 2.8163 2.8674 2.8674 3.1473 3.1473 3.1997 3.1997 3.2218 3.2218 4.2805 4.2805 6.6350 6.6350 6.6390 6.6390 8.8317 8.8317 10.7334 10.7334 10.7735 10.7735 11.6637 11.6637 16.7006 16.7006 16.8099 16.8099 16.8248 16.8248 k = 0.2643 0.2643 0.2643 ( 3127 PWs) bands (ev): -64.0159 -64.0159 -64.0054 -64.0054 -64.0054 -64.0054 -30.9795 -30.9795 -30.9783 -30.9783 -30.9511 -30.9511 -30.7273 -30.7273 -30.6953 -30.6953 -30.6933 -30.6933 -30.6790 -30.6790 -30.6307 -30.6307 -30.6094 -30.6094 -0.4311 -0.4311 2.8151 2.8151 2.8689 2.8689 3.1452 3.1452 3.2016 3.2016 3.2247 3.2247 4.3020 4.3020 6.6180 6.6180 6.6224 6.6224 8.7513 8.7513 10.6319 10.6319 10.6715 10.6715 11.7090 11.7090 16.5200 16.5200 16.8364 16.8364 16.8505 16.8505 k = 0.2714 0.2714 0.2714 ( 3121 PWs) bands (ev): -64.0155 -64.0155 -64.0056 -64.0056 -64.0056 -64.0056 -30.9793 -30.9793 -30.9781 -30.9781 -30.9521 -30.9521 -30.7281 -30.7281 -30.6944 -30.6944 -30.6936 -30.6936 -30.6790 -30.6790 -30.6300 -30.6300 -30.6093 -30.6093 -0.3889 -0.3889 2.8137 2.8137 2.8702 2.8702 3.1431 3.1431 3.2036 3.2036 3.2274 3.2274 4.3277 4.3277 6.6028 6.6028 6.6075 6.6075 8.6685 8.6685 10.5302 10.5302 10.5694 10.5694 11.7492 11.7492 16.3536 16.3536 16.8621 16.8621 16.8753 16.8753 k = 0.2786 0.2786 0.2786 ( 3124 PWs) bands (ev): -64.0152 -64.0152 -64.0058 -64.0058 -64.0058 -64.0058 -30.9791 -30.9791 -30.9780 -30.9780 -30.9532 -30.9532 -30.7290 -30.7290 -30.6940 -30.6940 -30.6935 -30.6935 -30.6791 -30.6791 -30.6293 -30.6293 -30.6092 -30.6092 -0.3471 -0.3471 2.8123 2.8123 2.8710 2.8710 3.1410 3.1410 3.2056 3.2056 3.2299 3.2299 4.3578 4.3578 6.5892 6.5892 6.5942 6.5942 8.5841 8.5841 10.4285 10.4285 10.4673 10.4673 11.7813 11.7813 16.2028 16.2028 16.8872 16.8872 16.8996 16.8996 k = 0.2857 0.2857 0.2857 ( 3118 PWs) bands (ev): -64.0149 -64.0149 -64.0059 -64.0059 -64.0059 -64.0059 -30.9788 -30.9788 -30.9778 -30.9778 -30.9543 -30.9543 -30.7298 -30.7298 -30.6945 -30.6945 -30.6926 -30.6926 -30.6792 -30.6792 -30.6285 -30.6285 -30.6091 -30.6091 -0.3058 -0.3058 2.8108 2.8108 2.8715 2.8715 3.1389 3.1389 3.2076 3.2076 3.2321 3.2321 4.3924 4.3924 6.5775 6.5775 6.5828 6.5828 8.4990 8.4990 10.3271 10.3271 10.3655 10.3655 11.8027 11.8027 16.0698 16.0698 16.9119 16.9119 16.9236 16.9236 k = 0.2929 0.2929 0.2929 ( 3124 PWs) bands (ev): -64.0145 -64.0145 -64.0061 -64.0061 -64.0061 -64.0061 -30.9787 -30.9787 -30.9776 -30.9776 -30.9554 -30.9554 -30.7306 -30.7306 -30.6950 -30.6950 -30.6917 -30.6917 -30.6792 -30.6792 -30.6276 -30.6276 -30.6090 -30.6090 -0.2652 -0.2652 2.8091 2.8091 2.8716 2.8716 3.1368 3.1368 3.2096 3.2096 3.2339 3.2339 4.4316 4.4316 6.5675 6.5675 6.5731 6.5731 8.4140 8.4140 10.2260 10.2260 10.2641 10.2641 11.8108 11.8108 15.9562 15.9562 16.9364 16.9364 16.9473 16.9473 k = 0.3000 0.3000 0.3000 ( 3121 PWs) bands (ev): -64.0142 -64.0142 -64.0063 -64.0063 -64.0063 -64.0063 -30.9785 -30.9785 -30.9775 -30.9775 -30.9565 -30.9565 -30.7314 -30.7314 -30.6955 -30.6955 -30.6908 -30.6908 -30.6793 -30.6793 -30.6266 -30.6266 -30.6088 -30.6088 -0.2252 -0.2252 2.8074 2.8074 2.8712 2.8712 3.1346 3.1346 3.2117 3.2117 3.2354 3.2354 4.4756 4.4756 6.5594 6.5594 6.5652 6.5652 8.3297 8.3297 10.1254 10.1254 10.1632 10.1632 11.8035 11.8035 15.8636 15.8636 16.9606 16.9606 16.9710 16.9710 k = 0.3071 0.3071 0.3071 ( 3121 PWs) bands (ev): -64.0139 -64.0139 -64.0064 -64.0064 -64.0064 -64.0064 -30.9783 -30.9783 -30.9774 -30.9774 -30.9576 -30.9576 -30.7323 -30.7323 -30.6961 -30.6961 -30.6900 -30.6900 -30.6793 -30.6793 -30.6256 -30.6256 -30.6087 -30.6087 -0.1861 -0.1861 2.8056 2.8056 2.8703 2.8703 3.1323 3.1323 3.2137 3.2137 3.2365 3.2365 4.5244 4.5244 6.5531 6.5531 6.5591 6.5591 8.2465 8.2465 10.0256 10.0256 10.0630 10.0630 11.7792 11.7792 15.7930 15.7930 16.9847 16.9847 16.9944 16.9944 k = 0.3143 0.3143 0.3143 ( 3115 PWs) bands (ev): -64.0135 -64.0135 -64.0066 -64.0066 -64.0066 -64.0066 -30.9781 -30.9781 -30.9773 -30.9773 -30.9587 -30.9587 -30.7331 -30.7331 -30.6967 -30.6967 -30.6891 -30.6891 -30.6793 -30.6793 -30.6245 -30.6245 -30.6085 -30.6085 -0.1477 -0.1477 2.8037 2.8037 2.8689 2.8689 3.1299 3.1299 3.2158 3.2158 3.2372 3.2372 4.5780 4.5780 6.5486 6.5486 6.5549 6.5549 8.1648 8.1648 9.9266 9.9266 9.9637 9.9637 11.7369 11.7369 15.7450 15.7450 17.0086 17.0086 17.0178 17.0178 k = 0.3214 0.3214 0.3214 ( 3115 PWs) bands (ev): -64.0132 -64.0132 -64.0067 -64.0067 -64.0067 -64.0067 -30.9780 -30.9780 -30.9772 -30.9772 -30.9598 -30.9598 -30.7339 -30.7339 -30.6973 -30.6973 -30.6883 -30.6883 -30.6793 -30.6793 -30.6234 -30.6234 -30.6083 -30.6083 -0.1102 -0.1102 2.8018 2.8018 2.8670 2.8670 3.1273 3.1273 3.2178 3.2178 3.2377 3.2377 4.6365 4.6365 6.5460 6.5460 6.5524 6.5524 8.0851 8.0851 9.8286 9.8286 9.8654 9.8654 11.6764 11.6764 15.7192 15.7192 17.0323 17.0323 17.0410 17.0410 k = 0.3286 0.3286 0.3286 ( 3109 PWs) bands (ev): -64.0129 -64.0129 -64.0069 -64.0069 -64.0069 -64.0069 -30.9778 -30.9778 -30.9771 -30.9771 -30.9609 -30.9609 -30.7347 -30.7347 -30.6980 -30.6980 -30.6874 -30.6874 -30.6792 -30.6792 -30.6222 -30.6222 -30.6082 -30.6082 -0.0737 -0.0737 2.7998 2.7998 2.8647 2.8647 3.1244 3.1244 3.2199 3.2199 3.2380 3.2380 4.6999 4.6999 6.5452 6.5452 6.5518 6.5518 8.0075 8.0075 9.7318 9.7318 9.7684 9.7684 11.5982 11.5982 15.7148 15.7148 17.0557 17.0557 17.0639 17.0639 k = 0.3357 0.3357 0.3357 ( 3109 PWs) bands (ev): -64.0126 -64.0126 -64.0070 -64.0070 -64.0070 -64.0070 -30.9777 -30.9777 -30.9771 -30.9771 -30.9620 -30.9620 -30.7355 -30.7355 -30.6986 -30.6986 -30.6866 -30.6866 -30.6792 -30.6792 -30.6211 -30.6211 -30.6080 -30.6080 -0.0382 -0.0382 2.7977 2.7977 2.8619 2.8619 3.1213 3.1213 3.2219 3.2219 3.2380 3.2380 4.7682 4.7682 6.5463 6.5463 6.5531 6.5531 7.9323 7.9323 9.6362 9.6362 9.6725 9.6725 11.5034 11.5034 15.7303 15.7303 17.0788 17.0788 17.0866 17.0866 k = 0.3429 0.3429 0.3429 ( 3118 PWs) bands (ev): -64.0123 -64.0123 -64.0072 -64.0072 -64.0072 -64.0072 -30.9776 -30.9776 -30.9770 -30.9770 -30.9630 -30.9630 -30.7363 -30.7363 -30.6993 -30.6993 -30.6859 -30.6859 -30.6791 -30.6791 -30.6199 -30.6199 -30.6078 -30.6078 -0.0037 -0.0037 2.7956 2.7956 2.8585 2.8585 3.1178 3.1178 3.2239 3.2239 3.2379 3.2379 4.8412 4.8412 6.5492 6.5492 6.5561 6.5561 7.8597 7.8597 9.5421 9.5421 9.5782 9.5782 11.3935 11.3935 15.7637 15.7637 17.1014 17.1014 17.1089 17.1089 k = 0.3500 0.3500 0.3500 ( 3106 PWs) bands (ev): -64.0120 -64.0120 -64.0073 -64.0073 -64.0073 -64.0073 -30.9775 -30.9775 -30.9770 -30.9770 -30.9641 -30.9641 -30.7371 -30.7371 -30.7000 -30.7000 -30.6851 -30.6851 -30.6790 -30.6790 -30.6188 -30.6188 -30.6075 -30.6075 0.0297 0.0297 2.7935 2.7935 2.8548 2.8548 3.1139 3.1139 3.2259 3.2259 3.2379 3.2379 4.9189 4.9189 6.5538 6.5538 6.5608 6.5608 7.7899 7.7899 9.4496 9.4496 9.4855 9.4855 11.2704 11.2704 15.8129 15.8129 17.1237 17.1237 17.1308 17.1308 k = 0.3571 0.3571 0.3571 ( 3124 PWs) bands (ev): -64.0118 -64.0118 -64.0075 -64.0075 -64.0075 -64.0075 -30.9774 -30.9774 -30.9770 -30.9770 -30.9652 -30.9652 -30.7379 -30.7379 -30.7007 -30.7007 -30.6844 -30.6844 -30.6789 -30.6789 -30.6176 -30.6176 -30.6074 -30.6074 0.0619 0.0619 2.7913 2.7913 2.8506 2.8506 3.1096 3.1096 3.2277 3.2277 3.2378 3.2378 5.0012 5.0012 6.5602 6.5602 6.5673 6.5673 7.7230 7.7230 9.3587 9.3587 9.3945 9.3945 11.1359 11.1359 15.8757 15.8757 17.1452 17.1452 17.1521 17.1521 k = 0.3643 0.3643 0.3643 ( 3124 PWs) bands (ev): -64.0115 -64.0115 -64.0076 -64.0076 -64.0076 -64.0076 -30.9774 -30.9774 -30.9770 -30.9770 -30.9662 -30.9662 -30.7386 -30.7386 -30.7013 -30.7013 -30.6837 -30.6837 -30.6788 -30.6788 -30.6165 -30.6165 -30.6071 -30.6071 0.0930 0.0930 2.7892 2.7892 2.8461 2.8461 3.1049 3.1049 3.2296 3.2296 3.2378 3.2378 5.0880 5.0880 6.5683 6.5683 6.5755 6.5755 7.6591 7.6591 9.2698 9.2698 9.3054 9.3054 10.9920 10.9920 15.9499 15.9499 17.1663 17.1663 17.1729 17.1729 k = 0.3714 0.3714 0.3714 ( 3124 PWs) bands (ev): -64.0113 -64.0113 -64.0077 -64.0077 -64.0077 -64.0077 -30.9773 -30.9773 -30.9770 -30.9770 -30.9672 -30.9672 -30.7393 -30.7393 -30.7020 -30.7020 -30.6831 -30.6831 -30.6787 -30.6787 -30.6154 -30.6154 -30.6069 -30.6069 0.1229 0.1229 2.7871 2.7871 2.8412 2.8412 3.0999 3.0999 3.2314 3.2314 3.2379 3.2379 5.1791 5.1791 6.5779 6.5779 6.5853 6.5853 7.5985 7.5985 9.1830 9.1830 9.2184 9.2184 10.8404 10.8404 16.0333 16.0333 17.1867 17.1867 17.1931 17.1931 k = 0.3786 0.3786 0.3786 ( 3127 PWs) bands (ev): -64.0110 -64.0110 -64.0078 -64.0078 -64.0078 -64.0078 -30.9772 -30.9772 -30.9770 -30.9770 -30.9681 -30.9681 -30.7400 -30.7400 -30.7026 -30.7026 -30.6825 -30.6825 -30.6786 -30.6786 -30.6143 -30.6143 -30.6067 -30.6067 0.1514 0.1514 2.7850 2.7850 2.8360 2.8360 3.0946 3.0946 3.2331 3.2331 3.2382 3.2382 5.2743 5.2743 6.5891 6.5891 6.5965 6.5965 7.5411 7.5411 9.0983 9.0983 9.1336 9.1336 10.6826 10.6826 16.1239 16.1239 17.2063 17.2063 17.2125 17.2125 k = 0.3857 0.3857 0.3857 ( 3127 PWs) bands (ev): -64.0108 -64.0108 -64.0080 -64.0080 -64.0080 -64.0080 -30.9772 -30.9772 -30.9770 -30.9770 -30.9690 -30.9690 -30.7407 -30.7407 -30.7032 -30.7032 -30.6819 -30.6819 -30.6784 -30.6784 -30.6133 -30.6133 -30.6065 -30.6065 0.1787 0.1787 2.7829 2.7829 2.8306 2.8306 3.0890 3.0890 3.2348 3.2348 3.2386 3.2386 5.3736 5.3736 6.6017 6.6017 6.6092 6.6092 7.4871 7.4871 9.0160 9.0160 9.0513 9.0513 10.5201 10.5201 16.2201 16.2201 17.2251 17.2251 17.2312 17.2312 k = 0.3929 0.3929 0.3929 ( 3127 PWs) bands (ev): -64.0106 -64.0106 -64.0081 -64.0081 -64.0081 -64.0081 -30.9771 -30.9771 -30.9770 -30.9770 -30.9699 -30.9699 -30.7413 -30.7413 -30.7037 -30.7037 -30.6813 -30.6813 -30.6783 -30.6783 -30.6123 -30.6123 -30.6063 -30.6063 0.2047 0.2047 2.7809 2.7809 2.8250 2.8250 3.0832 3.0832 3.2365 3.2365 3.2392 3.2392 5.4765 5.4765 6.6157 6.6157 6.6233 6.6233 7.4365 7.4365 8.9364 8.9364 8.9716 8.9716 10.3541 10.3541 16.3200 16.3200 17.2430 17.2430 17.2490 17.2490 k = 0.4000 0.4000 0.4000 ( 3121 PWs) bands (ev): -64.0103 -64.0103 -64.0082 -64.0082 -64.0082 -64.0082 -30.9771 -30.9771 -30.9770 -30.9770 -30.9707 -30.9707 -30.7419 -30.7419 -30.7042 -30.7042 -30.6807 -30.6807 -30.6781 -30.6781 -30.6113 -30.6113 -30.6060 -30.6060 0.2293 0.2293 2.7789 2.7789 2.8193 2.8193 3.0774 3.0774 3.2380 3.2380 3.2399 3.2399 5.5829 5.5829 6.6307 6.6307 6.6384 6.6384 7.3895 7.3895 8.8595 8.8595 8.8947 8.8947 10.1856 10.1856 16.4223 16.4223 17.2601 17.2601 17.2659 17.2659 k = 0.4071 0.4071 0.4071 ( 3115 PWs) bands (ev): -64.0101 -64.0101 -64.0083 -64.0083 -64.0083 -64.0083 -30.9771 -30.9771 -30.9770 -30.9770 -30.9715 -30.9715 -30.7425 -30.7425 -30.7047 -30.7047 -30.6802 -30.6802 -30.6780 -30.6780 -30.6104 -30.6104 -30.6058 -30.6058 0.2525 0.2525 2.7770 2.7770 2.8135 2.8135 3.0715 3.0715 3.2395 3.2395 3.2407 3.2407 5.6925 5.6925 6.6468 6.6468 6.6546 6.6546 7.3462 7.3462 8.7857 8.7857 8.8209 8.8209 10.0157 10.0157 16.5255 16.5255 17.2761 17.2761 17.2819 17.2819 k = 0.4143 0.4143 0.4143 ( 3127 PWs) bands (ev): -64.0100 -64.0100 -64.0084 -64.0084 -64.0084 -64.0084 -30.9771 -30.9771 -30.9771 -30.9771 -30.9722 -30.9722 -30.7431 -30.7431 -30.7052 -30.7052 -30.6798 -30.6798 -30.6779 -30.6779 -30.6096 -30.6096 -30.6056 -30.6056 0.2741 0.2741 2.7752 2.7752 2.8076 2.8076 3.0657 3.0657 3.2408 3.2408 3.2415 3.2415 5.8048 5.8048 6.6636 6.6636 6.6715 6.6715 7.3067 7.3067 8.7150 8.7150 8.7503 8.7503 9.8452 9.8452 16.6281 16.6281 17.2911 17.2911 17.2968 17.2968 k = 0.4214 0.4214 0.4214 ( 3121 PWs) bands (ev): -64.0098 -64.0098 -64.0084 -64.0084 -64.0084 -64.0084 -30.9772 -30.9772 -30.9770 -30.9770 -30.9729 -30.9729 -30.7436 -30.7436 -30.7056 -30.7056 -30.6793 -30.6793 -30.6778 -30.6778 -30.6087 -30.6087 -30.6054 -30.6054 0.2943 0.2943 2.7735 2.7735 2.8019 2.8019 3.0601 3.0601 3.2421 3.2421 3.2424 3.2424 5.9193 5.9193 6.6810 6.6810 6.6891 6.6891 7.2711 7.2711 8.6479 8.6479 8.6833 8.6833 9.6750 9.6750 16.7290 16.7290 17.3050 17.3050 17.3107 17.3107 k = 0.4286 0.4286 0.4286 ( 3127 PWs) bands (ev): -64.0096 -64.0096 -64.0085 -64.0085 -64.0085 -64.0085 -30.9772 -30.9772 -30.9770 -30.9770 -30.9736 -30.9736 -30.7440 -30.7440 -30.7060 -30.7060 -30.6789 -30.6789 -30.6777 -30.6777 -30.6080 -30.6080 -30.6052 -30.6052 0.3129 0.3129 2.7718 2.7718 2.7962 2.7962 3.0547 3.0547 3.2432 3.2432 3.2433 3.2433 6.0355 6.0355 6.6987 6.6987 6.7070 6.7070 7.2398 7.2398 8.5846 8.5846 8.6202 8.6202 9.5058 9.5058 16.8269 16.8269 17.3178 17.3178 17.3235 17.3235 k = 0.4357 0.4357 0.4357 ( 3127 PWs) bands (ev): -64.0095 -64.0095 -64.0086 -64.0086 -64.0086 -64.0086 -30.9772 -30.9772 -30.9770 -30.9770 -30.9741 -30.9741 -30.7445 -30.7445 -30.7064 -30.7064 -30.6786 -30.6786 -30.6775 -30.6775 -30.6073 -30.6073 -30.6051 -30.6051 0.3299 0.3299 2.7704 2.7704 2.7908 2.7908 3.0496 3.0496 3.2442 3.2442 3.2443 3.2443 6.1523 6.1523 6.7165 6.7165 6.7250 6.7250 7.2132 7.2132 8.5255 8.5255 8.5613 8.5613 9.3386 9.3386 16.9204 16.9204 17.3296 17.3296 17.3352 17.3352 k = 0.4429 0.4429 0.4429 ( 3127 PWs) bands (ev): -64.0094 -64.0094 -64.0087 -64.0087 -64.0087 -64.0087 -30.9773 -30.9773 -30.9770 -30.9770 -30.9746 -30.9746 -30.7448 -30.7448 -30.7067 -30.7067 -30.6783 -30.6783 -30.6774 -30.6774 -30.6067 -30.6067 -30.6049 -30.6049 0.3453 0.3453 2.7690 2.7690 2.7857 2.7857 3.0449 3.0449 3.2451 3.2451 3.2453 3.2453 6.2686 6.2686 6.7339 6.7339 6.7426 6.7426 7.1917 7.1917 8.4709 8.4709 8.5070 8.5070 9.1744 9.1744 17.0085 17.0085 17.3401 17.3401 17.3457 17.3457 k = 0.4500 0.4500 0.4500 ( 3127 PWs) bands (ev): -64.0093 -64.0093 -64.0087 -64.0087 -64.0087 -64.0087 -30.9773 -30.9773 -30.9771 -30.9771 -30.9751 -30.9751 -30.7452 -30.7452 -30.7070 -30.7070 -30.6780 -30.6780 -30.6773 -30.6773 -30.6061 -30.6061 -30.6048 -30.6048 0.3590 0.3590 2.7678 2.7678 2.7809 2.7809 3.0406 3.0406 3.2459 3.2459 3.2461 3.2461 6.3825 6.3825 6.7507 6.7507 6.7596 6.7596 7.1763 7.1763 8.4211 8.4211 8.4576 8.4576 9.0143 9.0143 17.0899 17.0899 17.3494 17.3494 17.3550 17.3550 k = 0.4571 0.4571 0.4571 ( 3127 PWs) bands (ev): -64.0092 -64.0092 -64.0088 -64.0088 -64.0088 -64.0088 -30.9773 -30.9773 -30.9771 -30.9771 -30.9755 -30.9755 -30.7455 -30.7455 -30.7073 -30.7073 -30.6777 -30.6777 -30.6773 -30.6773 -30.6056 -30.6056 -30.6046 -30.6046 0.3710 0.3710 2.7668 2.7668 2.7766 2.7766 3.0368 3.0368 3.2467 3.2467 3.2469 3.2469 6.4912 6.4912 6.7664 6.7664 6.7756 6.7756 7.1684 7.1684 8.3767 8.3767 8.4135 8.4135 8.8597 8.8597 17.1634 17.1634 17.3576 17.3576 17.3632 17.3632 k = 0.4643 0.4643 0.4643 ( 3127 PWs) bands (ev): -64.0091 -64.0091 -64.0088 -64.0088 -64.0088 -64.0088 -30.9773 -30.9773 -30.9771 -30.9771 -30.9758 -30.9758 -30.7457 -30.7457 -30.7075 -30.7075 -30.6775 -30.6775 -30.6772 -30.6772 -30.6052 -30.6052 -30.6045 -30.6045 0.3812 0.3812 2.7658 2.7658 2.7728 2.7728 3.0336 3.0336 3.2474 3.2474 3.2475 3.2475 6.5910 6.5910 6.7806 6.7806 6.7902 6.7902 7.1699 7.1699 8.3379 8.3379 8.3753 8.3753 8.7130 8.7130 17.2278 17.2278 17.3645 17.3645 17.3701 17.3701 k = 0.4714 0.4714 0.4714 ( 3121 PWs) bands (ev): -64.0090 -64.0090 -64.0088 -64.0088 -64.0088 -64.0088 -30.9773 -30.9773 -30.9772 -30.9772 -30.9760 -30.9760 -30.7459 -30.7459 -30.7076 -30.7076 -30.6773 -30.6773 -30.6771 -30.6771 -30.6049 -30.6049 -30.6044 -30.6044 0.3896 0.3896 2.7651 2.7651 2.7696 2.7696 3.0309 3.0309 3.2479 3.2479 3.2480 3.2480 6.6767 6.6767 6.7930 6.7930 6.8029 6.8029 7.1829 7.1829 8.3050 8.3050 8.3433 8.3433 8.5773 8.5773 17.2822 17.2822 17.3702 17.3702 17.3759 17.3759 k = 0.4786 0.4786 0.4786 ( 3121 PWs) bands (ev): -64.0090 -64.0090 -64.0089 -64.0089 -64.0089 -64.0089 -30.9774 -30.9774 -30.9773 -30.9773 -30.9761 -30.9761 -30.7461 -30.7461 -30.7078 -30.7078 -30.6772 -30.6772 -30.6771 -30.6771 -30.6046 -30.6046 -30.6043 -30.6043 0.3961 0.3961 2.7645 2.7645 2.7670 2.7670 3.0287 3.0287 3.2484 3.2484 3.2485 3.2485 6.7431 6.7431 6.8030 6.8030 6.8135 6.8135 7.2078 7.2078 8.2781 8.2781 8.3179 8.3179 8.4576 8.4576 17.3255 17.3255 17.3746 17.3746 17.3804 17.3804 k = 0.4857 0.4857 0.4857 ( 3112 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9774 -30.9774 -30.9773 -30.9773 -30.9762 -30.9762 -30.7462 -30.7462 -30.7078 -30.7078 -30.6771 -30.6771 -30.6770 -30.6770 -30.6044 -30.6044 -30.6043 -30.6043 0.4008 0.4008 2.7641 2.7641 2.7652 2.7652 3.0272 3.0272 3.2487 3.2487 3.2488 3.2488 6.7874 6.7874 6.8105 6.8105 6.8220 6.8220 7.2402 7.2402 8.2566 8.2566 8.2994 8.2994 8.3623 8.3623 17.3569 17.3569 17.3778 17.3778 17.3839 17.3839 k = 0.4929 0.4929 0.4929 ( 3112 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9774 -30.9774 -30.9773 -30.9773 -30.9763 -30.9763 -30.7463 -30.7463 -30.7079 -30.7079 -30.6770 -30.6770 -30.6770 -30.6770 -30.6043 -30.6043 -30.6042 -30.6042 0.4037 0.4037 2.7638 2.7638 2.7641 2.7641 3.0263 3.0263 3.2489 3.2489 3.2489 3.2489 6.8104 6.8104 6.8151 6.8151 6.8285 6.8285 7.2687 7.2687 8.2388 8.2388 8.2883 8.2883 8.3027 8.3027 17.3752 17.3752 17.3797 17.3797 17.3867 17.3867 k = 0.5000 0.5000 0.5000 ( 3112 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9774 -30.9774 -30.9774 -30.9774 -30.9763 -30.9763 -30.7463 -30.7463 -30.7079 -30.7079 -30.6770 -30.6770 -30.6770 -30.6770 -30.6042 -30.6042 -30.6042 -30.6042 0.4046 0.4046 2.7637 2.7637 2.7637 2.7637 3.0260 3.0260 3.2490 3.2490 3.2490 3.2490 6.8167 6.8167 6.8167 6.8167 6.8317 6.8317 7.2802 7.2802 8.2297 8.2297 8.2845 8.2845 8.2845 8.2845 17.3804 17.3804 17.3804 17.3804 17.3886 17.3886 k = 0.5000 0.5000 0.5000 ( 3112 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9774 -30.9774 -30.9774 -30.9774 -30.9763 -30.9763 -30.7463 -30.7463 -30.7079 -30.7079 -30.6770 -30.6770 -30.6770 -30.6770 -30.6042 -30.6042 -30.6042 -30.6042 0.4046 0.4046 2.7637 2.7637 2.7637 2.7637 3.0260 3.0260 3.2490 3.2490 3.2490 3.2490 6.8167 6.8167 6.8167 6.8167 6.8317 6.8317 7.2802 7.2802 8.2297 8.2297 8.2845 8.2845 8.2845 8.2845 17.3804 17.3804 17.3804 17.3804 17.3886 17.3886 k = 0.4912 0.5000 0.4912 ( 3112 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9774 -30.9774 -30.9773 -30.9773 -30.9763 -30.9763 -30.7463 -30.7463 -30.7079 -30.7079 -30.6770 -30.6770 -30.6770 -30.6770 -30.6043 -30.6043 -30.6042 -30.6042 0.4037 0.4037 2.7638 2.7638 2.7641 2.7641 3.0263 3.0263 3.2489 3.2489 3.2490 3.2490 6.8107 6.8107 6.8146 6.8146 6.8288 6.8288 7.2685 7.2685 8.2391 8.2391 8.2893 8.2893 8.3016 8.3016 17.3755 17.3755 17.3795 17.3795 17.3866 17.3866 k = 0.4825 0.5000 0.4825 ( 3112 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9774 -30.9774 -30.9773 -30.9773 -30.9762 -30.9762 -30.7462 -30.7462 -30.7078 -30.7078 -30.6771 -30.6771 -30.6770 -30.6770 -30.6044 -30.6044 -30.6043 -30.6043 0.4008 0.4008 2.7641 2.7641 2.7652 2.7652 3.0272 3.0272 3.2485 3.2485 3.2490 3.2490 6.7914 6.7914 6.8018 6.8018 6.8271 6.8271 7.2387 7.2387 8.2568 8.2568 8.3068 8.3068 8.3559 8.3559 17.3584 17.3584 17.3760 17.3760 17.3840 17.3840 k = 0.4737 0.5000 0.4737 ( 3116 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0088 -64.0088 -30.9774 -30.9774 -30.9772 -30.9772 -30.9761 -30.9761 -30.7461 -30.7461 -30.7077 -30.7077 -30.6772 -30.6772 -30.6771 -30.6771 -30.6046 -30.6046 -30.6043 -30.6043 0.3961 0.3961 2.7646 2.7646 2.7670 2.7670 3.0288 3.0288 3.2479 3.2479 3.2490 3.2490 6.7548 6.7548 6.7770 6.7770 6.8300 6.8300 7.2024 7.2024 8.2723 8.2723 8.3414 8.3414 8.4437 8.4437 17.3290 17.3290 17.3690 17.3690 17.3821 17.3821 k = 0.4649 0.5000 0.4649 ( 3126 PWs) bands (ev): -64.0090 -64.0090 -64.0089 -64.0089 -64.0088 -64.0088 -30.9774 -30.9774 -30.9772 -30.9772 -30.9760 -30.9760 -30.7459 -30.7459 -30.7076 -30.7076 -30.6774 -30.6774 -30.6771 -30.6771 -30.6049 -30.6049 -30.6044 -30.6044 0.3895 0.3895 2.7653 2.7653 2.7695 2.7695 3.0309 3.0309 3.2470 3.2470 3.2490 3.2490 6.6979 6.6979 6.7445 6.7445 6.8355 6.8355 7.1707 7.1707 8.2868 8.2868 8.3916 8.3916 8.5547 8.5547 17.2882 17.2882 17.3586 17.3586 17.3804 17.3804 k = 0.4561 0.5000 0.4561 ( 3130 PWs) bands (ev): -64.0090 -64.0090 -64.0089 -64.0089 -64.0087 -64.0087 -30.9774 -30.9774 -30.9771 -30.9771 -30.9758 -30.9758 -30.7457 -30.7457 -30.7075 -30.7075 -30.6776 -30.6776 -30.6772 -30.6772 -30.6053 -30.6053 -30.6045 -30.6045 0.3811 0.3811 2.7661 2.7661 2.7726 2.7726 3.0336 3.0336 3.2459 3.2459 3.2489 3.2489 6.6217 6.6217 6.7064 6.7064 6.8428 6.8428 7.1493 7.1493 8.3026 8.3026 8.4544 8.4544 8.6817 8.6817 17.2369 17.2369 17.3452 17.3452 17.3785 17.3785 k = 0.4474 0.5000 0.4474 ( 3130 PWs) bands (ev): -64.0091 -64.0091 -64.0089 -64.0089 -64.0087 -64.0087 -30.9774 -30.9774 -30.9770 -30.9770 -30.9756 -30.9756 -30.7455 -30.7455 -30.7073 -30.7073 -30.6778 -30.6778 -30.6772 -30.6772 -30.6057 -30.6057 -30.6046 -30.6046 0.3710 0.3710 2.7671 2.7671 2.7763 2.7763 3.0369 3.0369 3.2446 3.2446 3.2489 3.2489 6.5303 6.5303 6.6642 6.6642 6.8518 6.8518 7.1389 7.1389 8.3208 8.3208 8.5273 8.5273 8.8198 8.8198 17.1759 17.1759 17.3288 17.3288 17.3762 17.3762 k = 0.4386 0.5000 0.4386 ( 3134 PWs) bands (ev): -64.0092 -64.0092 -64.0089 -64.0089 -64.0086 -64.0086 -30.9774 -30.9774 -30.9769 -30.9769 -30.9753 -30.9753 -30.7452 -30.7452 -30.7070 -30.7070 -30.6780 -30.6780 -30.6773 -30.6773 -30.6062 -30.6062 -30.6047 -30.6047 0.3591 0.3591 2.7683 2.7683 2.7806 2.7806 3.0407 3.0407 3.2430 3.2430 3.2489 3.2489 6.4284 6.4284 6.6195 6.6195 6.8625 6.8625 7.1375 7.1375 8.3418 8.3418 8.6086 8.6086 8.9660 8.9660 17.1061 17.1061 17.3095 17.3095 17.3737 17.3737 k = 0.4298 0.5000 0.4298 ( 3116 PWs) bands (ev): -64.0093 -64.0093 -64.0089 -64.0089 -64.0085 -64.0085 -30.9773 -30.9773 -30.9767 -30.9767 -30.9748 -30.9748 -30.7448 -30.7448 -30.7067 -30.7067 -30.6783 -30.6783 -30.6774 -30.6774 -30.6067 -30.6067 -30.6048 -30.6048 0.3456 0.3456 2.7697 2.7697 2.7853 2.7853 3.0450 3.0450 3.2414 3.2414 3.2490 3.2490 6.3198 6.3198 6.5734 6.5734 6.8748 6.8748 7.1431 7.1431 8.3657 8.3657 8.6968 8.6968 9.1185 9.1185 17.0285 17.0285 17.2875 17.2875 17.3708 17.3708 k = 0.4211 0.5000 0.4211 ( 3116 PWs) bands (ev): -64.0093 -64.0093 -64.0089 -64.0089 -64.0084 -64.0084 -30.9774 -30.9774 -30.9766 -30.9766 -30.9744 -30.9744 -30.7444 -30.7444 -30.7064 -30.7064 -30.6786 -30.6786 -30.6775 -30.6775 -30.6074 -30.6074 -30.6050 -30.6050 0.3305 0.3305 2.7711 2.7711 2.7904 2.7904 3.0498 3.0498 3.2395 3.2395 3.2490 3.2490 6.2074 6.2074 6.5270 6.5270 6.8888 6.8888 7.1542 7.1542 8.3926 8.3926 8.7905 8.7905 9.2757 9.2757 16.9439 16.9439 17.2628 17.2628 17.3676 17.3676 k = 0.4123 0.5000 0.4123 ( 3116 PWs) bands (ev): -64.0095 -64.0095 -64.0089 -64.0089 -64.0083 -64.0083 -30.9774 -30.9774 -30.9764 -30.9764 -30.9739 -30.9739 -30.7440 -30.7440 -30.7060 -30.7060 -30.6790 -30.6790 -30.6776 -30.6776 -30.6081 -30.6081 -30.6051 -30.6051 0.3138 0.3138 2.7727 2.7727 2.7958 2.7958 3.0549 3.0549 3.2374 3.2374 3.2490 3.2490 6.0930 6.0930 6.4813 6.4813 6.9043 6.9043 7.1697 7.1697 8.4224 8.4224 8.8888 8.8888 9.4369 9.4369 16.8535 16.8535 17.2354 17.2354 17.3640 17.3640 k = 0.4035 0.5000 0.4035 ( 3116 PWs) bands (ev): -64.0096 -64.0096 -64.0089 -64.0089 -64.0082 -64.0082 -30.9775 -30.9775 -30.9762 -30.9762 -30.9733 -30.9733 -30.7435 -30.7435 -30.7056 -30.7056 -30.6794 -30.6794 -30.6777 -30.6777 -30.6089 -30.6089 -30.6053 -30.6053 0.2958 0.2958 2.7745 2.7745 2.8014 2.8014 3.0603 3.0603 3.2352 3.2352 3.2490 3.2490 5.9779 5.9779 6.4369 6.4369 6.9214 6.9214 7.1890 7.1890 8.4553 8.4553 8.9907 8.9907 9.6013 9.6013 16.7583 16.7583 17.2056 17.2056 17.3602 17.3602 k = 0.3947 0.5000 0.3947 ( 3116 PWs) bands (ev): -64.0097 -64.0097 -64.0089 -64.0089 -64.0081 -64.0081 -30.9775 -30.9775 -30.9761 -30.9761 -30.9727 -30.9727 -30.7430 -30.7430 -30.7052 -30.7052 -30.6798 -30.6798 -30.6778 -30.6778 -30.6097 -30.6097 -30.6055 -30.6055 0.2763 0.2763 2.7762 2.7762 2.8072 2.8072 3.0660 3.0660 3.2330 3.2330 3.2491 3.2491 5.8631 5.8631 6.3944 6.3944 6.9400 6.9400 7.2117 7.2117 8.4912 8.4912 9.0954 9.0954 9.7684 9.7684 16.6592 16.6592 17.1734 17.1734 17.3561 17.3561 k = 0.3860 0.5000 0.3860 ( 3124 PWs) bands (ev): -64.0098 -64.0098 -64.0089 -64.0089 -64.0080 -64.0080 -30.9776 -30.9776 -30.9759 -30.9759 -30.9721 -30.9721 -30.7425 -30.7425 -30.7047 -30.7047 -30.6803 -30.6803 -30.6779 -30.6779 -30.6106 -30.6106 -30.6057 -30.6057 0.2557 0.2557 2.7781 2.7781 2.8130 2.8130 3.0719 3.0719 3.2305 3.2305 3.2491 3.2491 5.7490 5.7490 6.3544 6.3544 6.9602 6.9602 7.2374 7.2374 8.5300 8.5300 9.2021 9.2021 9.9376 9.9376 16.5573 16.5573 17.1390 17.1390 17.3516 17.3516 k = 0.3772 0.5000 0.3772 ( 3124 PWs) bands (ev): -64.0100 -64.0100 -64.0089 -64.0089 -64.0078 -64.0078 -30.9777 -30.9777 -30.9757 -30.9757 -30.9714 -30.9714 -30.7419 -30.7419 -30.7043 -30.7043 -30.6808 -30.6808 -30.6781 -30.6781 -30.6115 -30.6115 -30.6060 -30.6060 0.2338 0.2338 2.7801 2.7801 2.8189 2.8189 3.0778 3.0778 3.2281 3.2281 3.2491 3.2491 5.6362 5.6362 6.3173 6.3173 6.9818 6.9818 7.2659 7.2659 8.5719 8.5719 9.3102 9.3102 10.1086 10.1086 16.4537 16.4537 17.1026 17.1026 17.3469 17.3469 k = 0.3684 0.5000 0.3684 ( 3128 PWs) bands (ev): -64.0101 -64.0101 -64.0089 -64.0089 -64.0077 -64.0077 -30.9778 -30.9778 -30.9755 -30.9755 -30.9707 -30.9707 -30.7413 -30.7413 -30.7037 -30.7037 -30.6813 -30.6813 -30.6782 -30.6782 -30.6125 -30.6125 -30.6062 -30.6062 0.2108 0.2108 2.7820 2.7820 2.8247 2.8247 3.0838 3.0838 3.2255 3.2255 3.2492 3.2492 5.5251 5.5251 6.2834 6.2834 7.0048 7.0048 7.2972 7.2972 8.6166 8.6166 9.4190 9.4190 10.2810 10.2810 16.3491 16.3491 17.0644 17.0644 17.3420 17.3420 k = 0.3596 0.5000 0.3596 ( 3128 PWs) bands (ev): -64.0103 -64.0103 -64.0089 -64.0089 -64.0075 -64.0075 -30.9779 -30.9779 -30.9752 -30.9752 -30.9700 -30.9700 -30.7406 -30.7406 -30.7032 -30.7032 -30.6818 -30.6818 -30.6784 -30.6784 -30.6136 -30.6136 -30.6064 -30.6064 0.1869 0.1869 2.7841 2.7841 2.8304 2.8304 3.0896 3.0896 3.2230 3.2230 3.2492 3.2492 5.4158 5.4158 6.2529 6.2529 7.0293 7.0293 7.3311 7.3311 8.6643 8.6643 9.5278 9.5278 10.4545 10.4545 16.2447 16.2447 17.0246 17.0246 17.3368 17.3368 k = 0.3509 0.5000 0.3509 ( 3128 PWs) bands (ev): -64.0105 -64.0105 -64.0089 -64.0089 -64.0073 -64.0073 -30.9780 -30.9780 -30.9750 -30.9750 -30.9693 -30.9693 -30.7399 -30.7399 -30.7026 -30.7026 -30.6823 -30.6823 -30.6785 -30.6785 -30.6146 -30.6146 -30.6067 -30.6067 0.1621 0.1621 2.7861 2.7861 2.8359 2.8359 3.0953 3.0953 3.2204 3.2204 3.2492 3.2492 5.3087 5.3087 6.2262 6.2262 7.0551 7.0551 7.3676 7.3676 8.7149 8.7149 9.6358 9.6358 10.6286 10.6286 16.1414 16.1414 16.9836 16.9836 17.3314 17.3314 k = 0.3421 0.5000 0.3421 ( 3124 PWs) bands (ev): -64.0106 -64.0106 -64.0089 -64.0089 -64.0072 -64.0072 -30.9781 -30.9781 -30.9747 -30.9747 -30.9685 -30.9685 -30.7392 -30.7392 -30.7020 -30.7020 -30.6829 -30.6829 -30.6787 -30.6787 -30.6157 -30.6157 -30.6070 -30.6070 0.1364 0.1364 2.7881 2.7881 2.8411 2.8411 3.1007 3.1007 3.2179 3.2179 3.2492 3.2492 5.2039 5.2039 6.2034 6.2034 7.0822 7.0822 7.4066 7.4066 8.7684 8.7684 9.7423 9.7423 10.8028 10.8028 16.0402 16.0402 16.9416 16.9416 17.3259 17.3259 k = 0.3333 0.5000 0.3333 ( 3136 PWs) bands (ev): -64.0108 -64.0108 -64.0089 -64.0089 -64.0070 -64.0070 -30.9783 -30.9783 -30.9745 -30.9745 -30.9677 -30.9677 -30.7385 -30.7385 -30.7015 -30.7015 -30.6834 -30.6834 -30.6789 -30.6789 -30.6168 -30.6168 -30.6073 -30.6073 0.1101 0.1101 2.7900 2.7900 2.8461 2.8461 3.1058 3.1058 3.2153 3.2153 3.2491 3.2491 5.1015 5.1015 6.1847 6.1847 7.1106 7.1106 7.4480 7.4480 8.8246 8.8246 9.8465 9.8465 10.9769 10.9769 15.9422 15.9422 16.8991 16.8991 17.3202 17.3202 k = 0.3246 0.5000 0.3246 ( 3128 PWs) bands (ev): -64.0110 -64.0110 -64.0089 -64.0089 -64.0068 -64.0068 -30.9784 -30.9784 -30.9742 -30.9742 -30.9669 -30.9669 -30.7377 -30.7377 -30.7009 -30.7009 -30.6840 -30.6840 -30.6791 -30.6791 -30.6180 -30.6180 -30.6076 -30.6076 0.0831 0.0831 2.7919 2.7919 2.8508 2.8508 3.1105 3.1105 3.2129 3.2129 3.2490 3.2490 5.0017 5.0017 6.1703 6.1703 7.1402 7.1402 7.4919 7.4919 8.8838 8.8838 9.9476 9.9476 11.1501 11.1501 15.8485 15.8485 16.8564 16.8564 17.3144 17.3144 k = 0.3158 0.5000 0.3158 ( 3134 PWs) bands (ev): -64.0112 -64.0112 -64.0089 -64.0089 -64.0066 -64.0066 -30.9786 -30.9786 -30.9739 -30.9739 -30.9661 -30.9661 -30.7369 -30.7369 -30.7003 -30.7003 -30.6845 -30.6845 -30.6793 -30.6793 -30.6192 -30.6192 -30.6079 -30.6079 0.0557 0.0557 2.7938 2.7938 2.8551 2.8551 3.1146 3.1146 3.2105 3.2105 3.2487 3.2487 4.9047 4.9047 6.1602 6.1602 7.1709 7.1709 7.5382 7.5382 8.9457 8.9457 10.0446 10.0446 11.3221 11.3221 15.7602 15.7602 16.8141 16.8141 17.3085 17.3085 k = 0.3070 0.5000 0.3070 ( 3126 PWs) bands (ev): -64.0114 -64.0114 -64.0089 -64.0089 -64.0064 -64.0064 -30.9788 -30.9788 -30.9736 -30.9736 -30.9652 -30.9652 -30.7361 -30.7361 -30.6998 -30.6998 -30.6850 -30.6850 -30.6794 -30.6794 -30.6203 -30.6203 -30.6082 -30.6082 0.0277 0.0277 2.7956 2.7956 2.8590 2.8590 3.1183 3.1183 3.2082 3.2082 3.2482 3.2482 4.8104 4.8104 6.1546 6.1546 7.2028 7.2028 7.5869 7.5869 9.0103 9.0103 10.1368 10.1368 11.4921 11.4921 15.6784 15.6784 16.7729 16.7729 17.3026 17.3026 k = 0.2982 0.5000 0.2982 ( 3130 PWs) bands (ev): -64.0116 -64.0116 -64.0089 -64.0089 -64.0062 -64.0062 -30.9790 -30.9790 -30.9733 -30.9733 -30.9644 -30.9644 -30.7353 -30.7353 -30.6993 -30.6993 -30.6854 -30.6854 -30.6796 -30.6796 -30.6215 -30.6215 -30.6085 -30.6085 -0.0005 -0.0005 2.7973 2.7973 2.8624 2.8624 3.1214 3.1214 3.2058 3.2058 3.2476 3.2476 4.7191 4.7191 6.1534 6.1534 7.2356 7.2356 7.6380 7.6380 9.0777 9.0777 10.2229 10.2229 11.6593 11.6593 15.6043 15.6043 16.7334 16.7334 17.2965 17.2965 k = 0.2895 0.5000 0.2895 ( 3122 PWs) bands (ev): -64.0118 -64.0118 -64.0089 -64.0089 -64.0060 -64.0060 -30.9792 -30.9792 -30.9730 -30.9730 -30.9635 -30.9635 -30.7344 -30.7344 -30.6989 -30.6989 -30.6858 -30.6858 -30.6797 -30.6797 -30.6227 -30.6227 -30.6088 -30.6088 -0.0290 -0.0290 2.7988 2.7988 2.8654 2.8654 3.1240 3.1240 3.2037 3.2037 3.2467 3.2467 4.6308 4.6308 6.1568 6.1568 7.2695 7.2695 7.6914 7.6914 9.1477 9.1477 10.3020 10.3020 11.8230 11.8230 15.5392 15.5392 16.6967 16.6967 17.2905 17.2905 k = 0.2807 0.5000 0.2807 ( 3122 PWs) bands (ev): -64.0120 -64.0120 -64.0089 -64.0089 -64.0058 -64.0058 -30.9794 -30.9794 -30.9727 -30.9727 -30.9627 -30.9627 -30.7335 -30.7335 -30.6985 -30.6985 -30.6861 -30.6861 -30.6798 -30.6798 -30.6239 -30.6239 -30.6092 -30.6092 -0.0576 -0.0576 2.8002 2.8002 2.8679 2.8679 3.1259 3.1259 3.2015 3.2015 3.2456 3.2456 4.5457 4.5457 6.1647 6.1647 7.3042 7.3042 7.7470 7.7470 9.2204 9.2204 10.3730 10.3730 11.9822 11.9822 15.4842 15.4842 16.6635 16.6635 17.2844 17.2844 k = 0.2719 0.5000 0.2719 ( 3126 PWs) bands (ev): -64.0122 -64.0122 -64.0089 -64.0089 -64.0056 -64.0056 -30.9796 -30.9796 -30.9724 -30.9724 -30.9619 -30.9619 -30.7327 -30.7327 -30.6983 -30.6983 -30.6863 -30.6863 -30.6799 -30.6799 -30.6251 -30.6251 -30.6095 -30.6095 -0.0863 -0.0863 2.8015 2.8015 2.8699 2.8699 3.1272 3.1272 3.1994 3.1994 3.2441 3.2441 4.4638 4.4638 6.1771 6.1771 7.3397 7.3397 7.8050 7.8050 9.2956 9.2956 10.4349 10.4349 12.1356 12.1356 15.4405 15.4405 16.6351 16.6351 17.2784 17.2784 k = 0.2632 0.5000 0.2632 ( 3130 PWs) bands (ev): -64.0124 -64.0124 -64.0089 -64.0089 -64.0054 -64.0054 -30.9799 -30.9799 -30.9721 -30.9721 -30.9610 -30.9610 -30.7318 -30.7318 -30.6983 -30.6983 -30.6864 -30.6864 -30.6800 -30.6800 -30.6264 -30.6264 -30.6098 -30.6098 -0.1150 -0.1150 2.8025 2.8025 2.8714 2.8714 3.1279 3.1279 3.1973 3.1973 3.2424 3.2424 4.3853 4.3853 6.1941 6.1941 7.3759 7.3759 7.8651 7.8651 9.3735 9.3735 10.4867 10.4867 12.2821 12.2821 15.4092 15.4092 16.6128 16.6128 17.2724 17.2724 k = 0.2544 0.5000 0.2544 ( 3130 PWs) bands (ev): -64.0126 -64.0126 -64.0089 -64.0089 -64.0052 -64.0052 -30.9802 -30.9802 -30.9717 -30.9717 -30.9602 -30.9602 -30.7309 -30.7309 -30.6983 -30.6983 -30.6865 -30.6865 -30.6799 -30.6799 -30.6276 -30.6276 -30.6102 -30.6102 -0.1436 -0.1436 2.8034 2.8034 2.8723 2.8723 3.1279 3.1279 3.1953 3.1953 3.2402 3.2402 4.3103 4.3103 6.2155 6.2155 7.4127 7.4127 7.9275 7.9275 9.4539 9.4539 10.5275 10.5275 12.4203 12.4203 15.3913 15.3913 16.5979 16.5979 17.2665 17.2665 k = 0.2456 0.5000 0.2456 ( 3130 PWs) bands (ev): -64.0128 -64.0128 -64.0089 -64.0089 -64.0050 -64.0050 -30.9804 -30.9804 -30.9714 -30.9714 -30.9595 -30.9595 -30.7300 -30.7300 -30.6985 -30.6985 -30.6864 -30.6864 -30.6798 -30.6798 -30.6287 -30.6287 -30.6105 -30.6105 -0.1720 -0.1720 2.8041 2.8041 2.8726 2.8726 3.1272 3.1272 3.1933 3.1933 3.2378 3.2378 4.2388 4.2388 6.2413 6.2413 7.4500 7.4500 7.9919 7.9919 9.5368 9.5368 10.5567 10.5567 12.5486 12.5486 15.3874 15.3874 16.5921 16.5921 17.2608 17.2608 k = 0.2368 0.5000 0.2368 ( 3134 PWs) bands (ev): -64.0131 -64.0131 -64.0089 -64.0089 -64.0048 -64.0048 -30.9807 -30.9807 -30.9711 -30.9711 -30.9587 -30.9587 -30.7291 -30.7291 -30.6988 -30.6988 -30.6864 -30.6864 -30.6796 -30.6796 -30.6299 -30.6299 -30.6109 -30.6109 -0.2001 -0.2001 2.8045 2.8045 2.8724 2.8724 3.1257 3.1257 3.1914 3.1914 3.2351 3.2351 4.1711 4.1711 6.2714 6.2714 7.4878 7.4878 8.0585 8.0585 9.6221 9.6221 10.5737 10.5737 12.6655 12.6655 15.3982 15.3982 16.5969 16.5969 17.2552 17.2552 k = 0.2281 0.5000 0.2281 ( 3118 PWs) bands (ev): -64.0133 -64.0133 -64.0089 -64.0089 -64.0045 -64.0045 -30.9809 -30.9809 -30.9707 -30.9707 -30.9579 -30.9579 -30.7282 -30.7282 -30.6991 -30.6991 -30.6864 -30.6864 -30.6793 -30.6793 -30.6310 -30.6310 -30.6112 -30.6112 -0.2279 -0.2279 2.8046 2.8046 2.8716 2.8716 3.1235 3.1235 3.1895 3.1895 3.2321 3.2321 4.1072 4.1072 6.3059 6.3059 7.5260 7.5260 8.1271 8.1271 9.7098 9.7098 10.5785 10.5785 12.7694 12.7694 15.4242 15.4242 16.6141 16.6141 17.2498 17.2498 k = 0.2193 0.5000 0.2193 ( 3124 PWs) bands (ev): -64.0135 -64.0135 -64.0089 -64.0089 -64.0043 -64.0043 -30.9812 -30.9812 -30.9704 -30.9704 -30.9572 -30.9572 -30.7273 -30.7273 -30.6996 -30.6996 -30.6864 -30.6864 -30.6788 -30.6788 -30.6322 -30.6322 -30.6115 -30.6115 -0.2553 -0.2553 2.8043 2.8043 2.8703 2.8703 3.1203 3.1203 3.1875 3.1875 3.2291 3.2291 4.0472 4.0472 6.3444 6.3444 7.5643 7.5643 8.1977 8.1977 9.7999 9.7999 10.5709 10.5709 12.8589 12.8589 15.4651 15.4651 16.6449 16.6449 17.2446 17.2446 k = 0.2105 0.5000 0.2105 ( 3128 PWs) bands (ev): -64.0137 -64.0137 -64.0089 -64.0089 -64.0041 -64.0041 -30.9815 -30.9815 -30.9701 -30.9701 -30.9565 -30.9565 -30.7264 -30.7264 -30.7001 -30.7001 -30.6865 -30.6865 -30.6782 -30.6782 -30.6333 -30.6333 -30.6119 -30.6119 -0.2823 -0.2823 2.8037 2.8037 2.8684 2.8684 3.1161 3.1161 3.1856 3.1856 3.2259 3.2259 3.9912 3.9912 6.3869 6.3869 7.6027 7.6027 8.2701 8.2701 9.8922 9.8922 10.5513 10.5513 12.9329 12.9329 15.5206 15.5206 16.6907 16.6907 17.2396 17.2396 k = 0.2018 0.5000 0.2018 ( 3136 PWs) bands (ev): -64.0139 -64.0139 -64.0089 -64.0089 -64.0039 -64.0039 -30.9819 -30.9819 -30.9698 -30.9698 -30.9558 -30.9558 -30.7255 -30.7255 -30.7007 -30.7007 -30.6867 -30.6867 -30.6775 -30.6775 -30.6344 -30.6344 -30.6122 -30.6122 -0.3086 -0.3086 2.8026 2.8026 2.8659 2.8659 3.1109 3.1109 3.1836 3.1836 3.2230 3.2230 3.9392 3.9392 6.4333 6.4333 7.6410 7.6410 8.3444 8.3444 9.9866 9.9866 10.5201 10.5201 12.9906 12.9906 15.5905 15.5905 16.7522 16.7522 17.2348 17.2348 k = 0.1930 0.5000 0.1930 ( 3132 PWs) bands (ev): -64.0141 -64.0141 -64.0089 -64.0089 -64.0037 -64.0037 -30.9822 -30.9822 -30.9694 -30.9694 -30.9552 -30.9552 -30.7246 -30.7246 -30.7013 -30.7013 -30.6869 -30.6869 -30.6767 -30.6767 -30.6355 -30.6355 -30.6125 -30.6125 -0.3344 -0.3344 2.8009 2.8009 2.8631 2.8631 3.1046 3.1046 3.1816 3.1816 3.2202 3.2202 3.8913 3.8913 6.4836 6.4836 7.6792 7.6792 8.4203 8.4203 10.0832 10.0832 10.4782 10.4782 13.0317 13.0317 15.6740 15.6740 16.8299 16.8299 17.2304 17.2304 k = 0.1842 0.5000 0.1842 ( 3136 PWs) bands (ev): -64.0143 -64.0143 -64.0089 -64.0089 -64.0036 -64.0036 -30.9825 -30.9825 -30.9691 -30.9691 -30.9546 -30.9546 -30.7237 -30.7237 -30.7019 -30.7019 -30.6872 -30.6872 -30.6759 -30.6759 -30.6365 -30.6365 -30.6129 -30.6129 -0.3594 -0.3594 2.7985 2.7985 2.8598 2.8598 3.0973 3.0973 3.1795 3.1795 3.2178 3.2178 3.8475 3.8475 6.5376 6.5376 7.7171 7.7171 8.4978 8.4978 10.1816 10.1816 10.4265 10.4265 13.0563 13.0563 15.7702 15.7702 16.9234 16.9234 17.2260 17.2260 k = 0.1754 0.5000 0.1754 ( 3136 PWs) bands (ev): -64.0145 -64.0145 -64.0089 -64.0089 -64.0034 -64.0034 -30.9828 -30.9828 -30.9688 -30.9688 -30.9540 -30.9540 -30.7228 -30.7228 -30.7025 -30.7025 -30.6875 -30.6875 -30.6749 -30.6749 -30.6375 -30.6375 -30.6132 -30.6132 -0.3837 -0.3837 2.7953 2.7953 2.8563 2.8563 3.0890 3.0890 3.1775 3.1775 3.2158 3.2158 3.8077 3.8077 6.5951 6.5951 7.7546 7.7546 8.5768 8.5768 10.2801 10.2801 10.3676 10.3676 13.0651 13.0651 15.8783 15.8783 17.0313 17.0313 17.0672 17.0672 k = 0.1667 0.5000 0.1667 ( 3124 PWs) bands (ev): -64.0147 -64.0147 -64.0089 -64.0089 -64.0032 -64.0032 -30.9831 -30.9831 -30.9685 -30.9685 -30.9534 -30.9534 -30.7220 -30.7220 -30.7030 -30.7030 -30.6879 -30.6879 -30.6739 -30.6739 -30.6385 -30.6385 -30.6134 -30.6134 -0.4072 -0.4072 2.7911 2.7911 2.8528 2.8528 3.0800 3.0800 3.1754 3.1754 3.2142 3.2142 3.7717 3.7717 6.6561 6.6561 7.7915 7.7915 8.6570 8.6570 10.2912 10.2912 10.3899 10.3899 13.0591 13.0591 15.9974 15.9974 16.8633 16.8633 17.1558 17.1558 k = 0.1579 0.5000 0.1579 ( 3126 PWs) bands (ev): -64.0148 -64.0148 -64.0089 -64.0089 -64.0030 -64.0030 -30.9834 -30.9834 -30.9682 -30.9682 -30.9528 -30.9528 -30.7212 -30.7212 -30.7035 -30.7035 -30.6883 -30.6883 -30.6729 -30.6729 -30.6395 -30.6395 -30.6137 -30.6137 -0.4298 -0.4298 2.7857 2.7857 2.8492 2.8492 3.0705 3.0705 3.1733 3.1733 3.2129 3.2129 3.7395 3.7395 6.7205 6.7205 7.8277 7.8277 8.7384 8.7384 10.2166 10.2166 10.4923 10.4923 13.0398 13.0398 16.1263 16.1263 16.6640 16.6640 17.2158 17.2158 k = 0.1491 0.5000 0.1491 ( 3134 PWs) bands (ev): -64.0150 -64.0150 -64.0090 -64.0090 -64.0028 -64.0028 -30.9838 -30.9838 -30.9679 -30.9679 -30.9523 -30.9523 -30.7204 -30.7204 -30.7040 -30.7040 -30.6888 -30.6888 -30.6720 -30.6720 -30.6404 -30.6404 -30.6140 -30.6140 -0.4515 -0.4515 2.7790 2.7790 2.8459 2.8459 3.0606 3.0606 3.1713 3.1713 3.2120 3.2120 3.7109 3.7109 6.7880 6.7880 7.8630 7.8630 8.8206 8.8206 10.1339 10.1339 10.5980 10.5980 13.0085 13.0085 16.2641 16.2641 16.4682 16.4682 17.2130 17.2130 k = 0.1404 0.5000 0.1404 ( 3126 PWs) bands (ev): -64.0152 -64.0152 -64.0089 -64.0089 -64.0027 -64.0027 -30.9840 -30.9840 -30.9676 -30.9676 -30.9519 -30.9519 -30.7196 -30.7196 -30.7044 -30.7044 -30.6892 -30.6892 -30.6709 -30.6709 -30.6413 -30.6413 -30.6143 -30.6143 -0.4723 -0.4723 2.7710 2.7710 2.8429 2.8429 3.0507 3.0507 3.1693 3.1693 3.2115 3.2115 3.6855 3.6855 6.8587 6.8587 7.8975 7.8975 8.9036 8.9036 10.0455 10.0455 10.7055 10.7055 12.9670 12.9670 16.2760 16.2760 16.4101 16.4101 17.2105 17.2105 k = 0.1316 0.5000 0.1316 ( 3118 PWs) bands (ev): -64.0153 -64.0153 -64.0089 -64.0089 -64.0025 -64.0025 -30.9844 -30.9844 -30.9673 -30.9673 -30.9514 -30.9514 -30.7189 -30.7189 -30.7048 -30.7048 -30.6897 -30.6897 -30.6699 -30.6699 -30.6421 -30.6421 -30.6145 -30.6145 -0.4920 -0.4920 2.7618 2.7618 2.8402 2.8402 3.0411 3.0411 3.1674 3.1674 3.2112 3.2112 3.6632 3.6632 6.9323 6.9323 7.9308 7.9308 8.9869 8.9869 9.9524 9.9524 10.8143 10.8143 12.9168 12.9168 16.0877 16.0877 16.5632 16.5632 17.2085 17.2085 k = 0.1228 0.5000 0.1228 ( 3122 PWs) bands (ev): -64.0155 -64.0155 -64.0089 -64.0089 -64.0023 -64.0023 -30.9847 -30.9847 -30.9671 -30.9671 -30.9510 -30.9510 -30.7182 -30.7182 -30.7051 -30.7051 -30.6903 -30.6903 -30.6690 -30.6690 -30.6429 -30.6429 -30.6147 -30.6147 -0.5107 -0.5107 2.7514 2.7514 2.8378 2.8378 3.0318 3.0318 3.1656 3.1656 3.2110 3.2110 3.6436 3.6436 7.0088 7.0088 7.9627 7.9627 9.0703 9.0703 9.8552 9.8552 10.9242 10.9242 12.8594 12.8594 15.9035 15.9035 16.7225 16.7225 17.2068 17.2068 k = 0.1140 0.5000 0.1140 ( 3122 PWs) bands (ev): -64.0156 -64.0156 -64.0090 -64.0090 -64.0022 -64.0022 -30.9849 -30.9849 -30.9668 -30.9668 -30.9506 -30.9506 -30.7177 -30.7177 -30.7052 -30.7052 -30.6908 -30.6908 -30.6680 -30.6680 -30.6437 -30.6437 -30.6150 -30.6150 -0.5283 -0.5283 2.7402 2.7402 2.8358 2.8358 3.0231 3.0231 3.1639 3.1639 3.2111 3.2111 3.6265 3.6265 7.0880 7.0880 7.9933 7.9933 9.1535 9.1535 9.7548 9.7548 11.0349 11.0349 12.7965 12.7965 15.7236 15.7236 16.8873 16.8873 17.2055 17.2055 k = 0.1053 0.5000 0.1053 ( 3114 PWs) bands (ev): -64.0158 -64.0158 -64.0089 -64.0089 -64.0021 -64.0021 -30.9852 -30.9852 -30.9666 -30.9666 -30.9502 -30.9502 -30.7171 -30.7171 -30.7053 -30.7053 -30.6914 -30.6914 -30.6671 -30.6671 -30.6444 -30.6444 -30.6152 -30.6152 -0.5447 -0.5447 2.7284 2.7284 2.8341 2.8341 3.0151 3.0151 3.1623 3.1623 3.2113 3.2113 3.6117 3.6117 7.1699 7.1699 8.0223 8.0223 9.2359 9.2359 9.6518 9.6518 11.1459 11.1459 12.7294 12.7294 15.5487 15.5487 17.0569 17.0569 17.2046 17.2046 k = 0.0965 0.5000 0.0965 ( 3114 PWs) bands (ev): -64.0159 -64.0159 -64.0089 -64.0089 -64.0019 -64.0019 -30.9855 -30.9855 -30.9663 -30.9663 -30.9499 -30.9499 -30.7167 -30.7167 -30.7053 -30.7053 -30.6920 -30.6920 -30.6662 -30.6662 -30.6451 -30.6451 -30.6154 -30.6154 -0.5599 -0.5599 2.7163 2.7163 2.8326 2.8326 3.0078 3.0078 3.1608 3.1608 3.2115 3.2115 3.5988 3.5988 7.2542 7.2542 8.0495 8.0495 9.3171 9.3171 9.5466 9.5466 11.2567 11.2567 12.6596 12.6596 15.3789 15.3789 17.2031 17.2031 17.2313 17.2313 k = 0.0877 0.5000 0.0877 ( 3122 PWs) bands (ev): -64.0160 -64.0160 -64.0090 -64.0090 -64.0018 -64.0018 -30.9857 -30.9857 -30.9661 -30.9661 -30.9496 -30.9496 -30.7164 -30.7164 -30.7052 -30.7052 -30.6926 -30.6926 -30.6653 -30.6653 -30.6458 -30.6458 -30.6156 -30.6156 -0.5740 -0.5740 2.7043 2.7043 2.8312 2.8312 3.0013 3.0013 3.1593 3.1593 3.2118 3.2118 3.5877 3.5877 7.3408 7.3408 8.0748 8.0748 9.3957 9.3957 9.4405 9.4405 11.3668 11.3668 12.5884 12.5884 15.2149 15.2149 17.2033 17.2033 17.4075 17.4075 k = 0.0789 0.5000 0.0789 ( 3130 PWs) bands (ev): -64.0161 -64.0161 -64.0090 -64.0090 -64.0017 -64.0017 -30.9860 -30.9860 -30.9660 -30.9660 -30.9494 -30.9494 -30.7161 -30.7161 -30.7050 -30.7050 -30.6933 -30.6933 -30.6646 -30.6646 -30.6465 -30.6465 -30.6158 -30.6158 -0.5867 -0.5867 2.6925 2.6925 2.8301 2.8301 2.9954 2.9954 3.1581 3.1581 3.2121 3.2121 3.5782 3.5782 7.4297 7.4297 8.0982 8.0982 9.3313 9.3313 9.4739 9.4739 11.4754 11.4754 12.5172 12.5172 15.0575 15.0575 17.2033 17.2033 17.5866 17.5866 k = 0.0702 0.5000 0.0702 ( 3130 PWs) bands (ev): -64.0162 -64.0162 -64.0090 -64.0090 -64.0016 -64.0016 -30.9862 -30.9862 -30.9658 -30.9658 -30.9491 -30.9491 -30.7159 -30.7159 -30.7047 -30.7047 -30.6940 -30.6940 -30.6638 -30.6638 -30.6471 -30.6471 -30.6159 -30.6159 -0.5983 -0.5983 2.6812 2.6812 2.8291 2.8291 2.9904 2.9904 3.1569 3.1569 3.2124 3.2124 3.5702 3.5702 7.5206 7.5206 8.1195 8.1195 9.2228 9.2228 9.5473 9.5473 11.5816 11.5816 12.4476 12.4476 14.9077 14.9077 17.2034 17.2034 17.7677 17.7677 k = 0.0614 0.5000 0.0614 ( 3134 PWs) bands (ev): -64.0163 -64.0163 -64.0090 -64.0090 -64.0016 -64.0016 -30.9864 -30.9864 -30.9657 -30.9657 -30.9489 -30.9489 -30.7158 -30.7158 -30.7043 -30.7043 -30.6946 -30.6946 -30.6631 -30.6631 -30.6476 -30.6476 -30.6160 -30.6160 -0.6085 -0.6085 2.6708 2.6708 2.8282 2.8282 2.9860 2.9860 3.1559 3.1559 3.2127 3.2127 3.5633 3.5633 7.6134 7.6134 8.1386 8.1386 9.1139 9.1139 9.6166 9.6166 11.6839 11.6839 12.3808 12.3808 14.7666 14.7666 17.2036 17.2036 17.9497 17.9497 k = 0.0526 0.5000 0.0526 ( 3122 PWs) bands (ev): -64.0164 -64.0164 -64.0090 -64.0090 -64.0015 -64.0015 -30.9865 -30.9865 -30.9655 -30.9655 -30.9487 -30.9487 -30.7157 -30.7157 -30.7037 -30.7037 -30.6953 -30.6953 -30.6624 -30.6624 -30.6481 -30.6481 -30.6161 -30.6161 -0.6174 -0.6174 2.6614 2.6614 2.8275 2.8275 2.9823 2.9823 3.1551 3.1551 3.2130 3.2130 3.5577 3.5577 7.7078 7.7078 8.1555 8.1555 9.0053 9.0053 9.6805 9.6805 11.7808 11.7808 12.3187 12.3187 14.6362 14.6362 17.2040 17.2040 18.1314 18.1314 k = 0.0439 0.5000 0.0439 ( 3126 PWs) bands (ev): -64.0164 -64.0164 -64.0090 -64.0090 -64.0014 -64.0014 -30.9866 -30.9866 -30.9654 -30.9654 -30.9486 -30.9486 -30.7157 -30.7157 -30.7032 -30.7032 -30.6960 -30.6960 -30.6619 -30.6619 -30.6485 -30.6485 -30.6162 -30.6162 -0.6249 -0.6249 2.6531 2.6531 2.8269 2.8269 2.9792 2.9792 3.1543 3.1543 3.2133 3.2133 3.5531 3.5531 7.8033 7.8033 8.1698 8.1698 8.8973 8.8973 9.7378 9.7378 11.8700 11.8700 12.2627 12.2627 14.5180 14.5180 17.2044 17.2044 18.3115 18.3115 k = 0.0351 0.5000 0.0351 ( 3130 PWs) bands (ev): -64.0165 -64.0165 -64.0090 -64.0090 -64.0014 -64.0014 -30.9868 -30.9868 -30.9653 -30.9653 -30.9485 -30.9485 -30.7157 -30.7157 -30.7026 -30.7026 -30.6967 -30.6967 -30.6614 -30.6614 -30.6489 -30.6489 -30.6163 -30.6163 -0.6311 -0.6311 2.6461 2.6461 2.8264 2.8264 2.9767 2.9767 3.1537 3.1537 3.2135 3.2135 3.5494 3.5494 7.8994 7.8994 8.1816 8.1816 8.7908 8.7908 9.7873 9.7873 11.9486 11.9486 12.2148 12.2148 14.4147 14.4147 17.2048 17.2048 18.4876 18.4876 k = 0.0263 0.5000 0.0263 ( 3130 PWs) bands (ev): -64.0165 -64.0165 -64.0090 -64.0090 -64.0013 -64.0013 -30.9869 -30.9869 -30.9652 -30.9652 -30.9484 -30.9484 -30.7157 -30.7157 -30.7020 -30.7020 -30.6974 -30.6974 -30.6610 -30.6610 -30.6492 -30.6492 -30.6164 -30.6164 -0.6360 -0.6360 2.6406 2.6406 2.8260 2.8260 2.9748 2.9748 3.1532 3.1532 3.2137 3.2137 3.5466 3.5466 7.9949 7.9949 8.1909 8.1909 8.6872 8.6872 9.8275 9.8275 12.0129 12.0129 12.1775 12.1775 14.3294 14.3294 17.2052 17.2052 18.6558 18.6558 k = 0.0175 0.5000 0.0175 ( 3122 PWs) bands (ev): -64.0165 -64.0165 -64.0090 -64.0090 -64.0013 -64.0013 -30.9869 -30.9869 -30.9652 -30.9652 -30.9482 -30.9482 -30.7156 -30.7156 -30.7013 -30.7013 -30.6981 -30.6981 -30.6607 -30.6607 -30.6494 -30.6494 -30.6164 -30.6164 -0.6395 -0.6395 2.6366 2.6366 2.8257 2.8257 2.9734 2.9734 3.1529 3.1529 3.2139 3.2139 3.5447 3.5447 8.0868 8.0868 8.1976 8.1976 8.5894 8.5894 9.8573 9.8573 12.0572 12.0572 12.1546 12.1546 14.2652 14.2652 17.2056 17.2056 18.8079 18.8079 k = 0.0088 0.5000 0.0088 ( 3106 PWs) bands (ev): -64.0165 -64.0165 -64.0090 -64.0090 -64.0013 -64.0013 -30.9870 -30.9870 -30.9651 -30.9651 -30.9481 -30.9481 -30.7156 -30.7156 -30.7007 -30.7007 -30.6987 -30.6987 -30.6605 -30.6605 -30.6495 -30.6495 -30.6164 -30.6164 -0.6415 -0.6415 2.6342 2.6342 2.8256 2.8256 2.9727 2.9727 3.1528 3.1528 3.2140 3.2140 3.5435 3.5435 8.1659 8.1659 8.2016 8.2016 8.5067 8.5067 9.8757 9.8757 12.0766 12.0766 12.1491 12.1491 14.2252 14.2252 17.2058 17.2058 18.9254 18.9254 k = 0.0000 0.5000-0.0000 ( 3082 PWs) bands (ev): -64.0165 -64.0165 -64.0089 -64.0089 -64.0013 -64.0013 -30.9870 -30.9870 -30.9650 -30.9650 -30.9480 -30.9480 -30.7156 -30.7156 -30.7004 -30.7004 -30.6989 -30.6989 -30.6603 -30.6603 -30.6495 -30.6495 -30.6163 -30.6163 -0.6422 -0.6422 2.6335 2.6335 2.8256 2.8256 2.9725 2.9725 3.1528 3.1528 3.2141 3.2141 3.5432 3.5432 8.2025 8.2025 8.2035 8.2035 8.4686 8.4686 9.8820 9.8820 12.0799 12.0799 12.1506 12.1506 14.2116 14.2116 17.2058 17.2058 18.9671 18.9671 k = 0.5000 0.5000-0.0000 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9745 -30.9745 -30.9670 -30.9670 -30.9661 -30.9661 -30.7218 -30.7218 -30.7010 -30.7010 -30.6933 -30.6933 -30.6663 -30.6663 -30.6485 -30.6485 -30.6072 -30.6072 -0.1113 -0.1113 2.8272 2.8272 2.9151 2.9151 3.1626 3.1626 3.2184 3.2184 3.2973 3.2973 5.1582 5.1582 5.1691 5.1691 5.5252 5.5252 8.3568 8.3568 11.6862 11.6862 11.7167 11.7167 13.8408 13.8408 14.6653 14.6653 15.6042 15.6042 15.6147 15.6147 k = 0.5000 0.5000 0.0122 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9745 -30.9745 -30.9671 -30.9671 -30.9662 -30.9662 -30.7218 -30.7218 -30.7009 -30.7009 -30.6934 -30.6934 -30.6664 -30.6664 -30.6484 -30.6484 -30.6072 -30.6072 -0.1107 -0.1107 2.8272 2.8272 2.9149 2.9149 3.1627 3.1627 3.2181 3.2181 3.2972 3.2972 5.1597 5.1597 5.1707 5.1707 5.5263 5.5263 8.3539 8.3539 11.6801 11.6801 11.7106 11.7106 13.8219 13.8219 14.6694 14.6694 15.6093 15.6093 15.6198 15.6198 k = 0.5000 0.5000 0.0244 ( 3144 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9745 -30.9745 -30.9671 -30.9671 -30.9662 -30.9662 -30.7221 -30.7221 -30.7007 -30.7007 -30.6934 -30.6934 -30.6668 -30.6668 -30.6479 -30.6479 -30.6072 -30.6072 -0.1088 -0.1088 2.8271 2.8271 2.9144 2.9144 3.1626 3.1626 3.2172 3.2172 3.2970 3.2970 5.1642 5.1642 5.1753 5.1753 5.5297 5.5297 8.3454 8.3454 11.6617 11.6617 11.6921 11.6921 13.7670 13.7670 14.6815 14.6815 15.6243 15.6243 15.6349 15.6349 k = 0.5000 0.5000 0.0366 ( 3140 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9745 -30.9745 -30.9672 -30.9672 -30.9663 -30.9663 -30.7225 -30.7225 -30.7003 -30.7003 -30.6935 -30.6935 -30.6673 -30.6673 -30.6471 -30.6471 -30.6072 -30.6072 -0.1056 -0.1056 2.8271 2.8271 2.9136 2.9136 3.1627 3.1627 3.2157 3.2157 3.2966 3.2966 5.1717 5.1717 5.1829 5.1829 5.5354 5.5354 8.3314 8.3314 11.6314 11.6314 11.6618 11.6618 13.6805 13.6805 14.7017 14.7017 15.6491 15.6491 15.6598 15.6598 k = 0.5000 0.5000 0.0488 ( 3124 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9745 -30.9745 -30.9673 -30.9673 -30.9663 -30.9663 -30.7229 -30.7229 -30.6998 -30.6998 -30.6936 -30.6936 -30.6680 -30.6680 -30.6461 -30.6461 -30.6071 -30.6071 -0.1011 -0.1011 2.8271 2.8271 2.9124 2.9124 3.1628 3.1628 3.2138 3.2138 3.2960 3.2960 5.1823 5.1823 5.1936 5.1936 5.5433 5.5433 8.3122 8.3122 11.5899 11.5899 11.6202 11.6202 13.5683 13.5683 14.7296 14.7296 15.6831 15.6831 15.6938 15.6938 k = 0.5000 0.5000 0.0610 ( 3124 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9746 -30.9746 -30.9675 -30.9675 -30.9664 -30.9664 -30.7236 -30.7236 -30.6992 -30.6992 -30.6937 -30.6937 -30.6688 -30.6688 -30.6449 -30.6449 -30.6071 -30.6071 -0.0954 -0.0954 2.8270 2.8270 2.9109 2.9109 3.1630 3.1630 3.2112 3.2112 3.2954 3.2954 5.1958 5.1958 5.2072 5.2072 5.5535 5.5535 8.2875 8.2875 11.5379 11.5379 11.5681 11.5681 13.4360 13.4360 14.7652 14.7652 15.7251 15.7251 15.7358 15.7358 k = 0.5000 0.5000 0.0732 ( 3116 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9746 -30.9746 -30.9676 -30.9676 -30.9665 -30.9665 -30.7242 -30.7242 -30.6984 -30.6984 -30.6939 -30.6939 -30.6695 -30.6695 -30.6436 -30.6436 -30.6070 -30.6070 -0.0885 -0.0885 2.8268 2.8268 2.9091 2.9091 3.1632 3.1632 3.2081 3.2081 3.2945 3.2945 5.2122 5.2122 5.2239 5.2239 5.5661 5.5661 8.2580 8.2580 11.4762 11.4762 11.5062 11.5062 13.2887 13.2887 14.8080 14.8080 15.7744 15.7744 15.7852 15.7852 k = 0.5000 0.5000 0.0854 ( 3124 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9747 -30.9747 -30.9679 -30.9679 -30.9667 -30.9667 -30.7251 -30.7251 -30.6977 -30.6977 -30.6942 -30.6942 -30.6704 -30.6704 -30.6422 -30.6422 -30.6070 -30.6070 -0.0803 -0.0803 2.8265 2.8265 2.9069 2.9069 3.1635 3.1635 3.2046 3.2046 3.2936 3.2936 5.2315 5.2315 5.2434 5.2434 5.5809 5.5809 8.2237 8.2237 11.4057 11.4057 11.4356 11.4356 13.1304 13.1304 14.8578 14.8578 15.8298 15.8298 15.8407 15.8407 k = 0.5000 0.5000 0.0976 ( 3132 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9747 -30.9747 -30.9681 -30.9681 -30.9669 -30.9669 -30.7259 -30.7259 -30.6969 -30.6969 -30.6945 -30.6945 -30.6712 -30.6712 -30.6407 -30.6407 -30.6069 -30.6069 -0.0711 -0.0711 2.8261 2.8261 2.9044 2.9044 3.1640 3.1640 3.2005 3.2005 3.2924 3.2924 5.2537 5.2537 5.2658 5.2658 5.5981 5.5981 8.1853 8.1853 11.3274 11.3274 11.3571 11.3571 12.9644 12.9644 14.9141 14.9141 15.8906 15.8906 15.9015 15.9015 k = 0.5000 0.5000 0.1098 ( 3116 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9748 -30.9748 -30.9684 -30.9684 -30.9671 -30.9671 -30.7268 -30.7268 -30.6960 -30.6960 -30.6948 -30.6948 -30.6720 -30.6720 -30.6391 -30.6391 -30.6068 -30.6068 -0.0606 -0.0606 2.8256 2.8256 2.9017 2.9017 3.1647 3.1647 3.1961 3.1961 3.2912 3.2912 5.2786 5.2786 5.2911 5.2911 5.6176 5.6176 8.1431 8.1431 11.2422 11.2422 11.2718 11.2718 12.7930 12.7930 14.9767 14.9767 15.9556 15.9556 15.9666 15.9666 k = 0.5000 0.5000 0.1220 ( 3116 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9749 -30.9749 -30.9687 -30.9687 -30.9673 -30.9673 -30.7277 -30.7277 -30.6951 -30.6951 -30.6951 -30.6951 -30.6727 -30.6727 -30.6375 -30.6375 -30.6068 -30.6068 -0.0491 -0.0491 2.8249 2.8249 2.8986 2.8986 3.1656 3.1656 3.1912 3.1912 3.2899 3.2899 5.3064 5.3064 5.3191 5.3191 5.6395 5.6395 8.0974 8.0974 11.1510 11.1510 11.1805 11.1805 12.6179 12.6179 15.0449 15.0449 16.0239 16.0239 16.0349 16.0349 k = 0.5000 0.5000 0.1341 ( 3116 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9749 -30.9749 -30.9690 -30.9690 -30.9676 -30.9676 -30.7286 -30.7286 -30.6955 -30.6955 -30.6942 -30.6942 -30.6734 -30.6734 -30.6359 -30.6359 -30.6067 -30.6067 -0.0366 -0.0366 2.8241 2.8241 2.8952 2.8952 3.1668 3.1668 3.1859 3.1859 3.2884 3.2884 5.3368 5.3368 5.3498 5.3498 5.6639 5.6639 8.0487 8.0487 11.0545 11.0545 11.0840 11.0840 12.4405 12.4405 15.1184 15.1184 16.0946 16.0946 16.1055 16.1055 k = 0.5000 0.5000 0.1463 ( 3116 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9750 -30.9750 -30.9693 -30.9693 -30.9679 -30.9679 -30.7295 -30.7295 -30.6960 -30.6960 -30.6932 -30.6932 -30.6740 -30.6740 -30.6343 -30.6343 -30.6066 -30.6066 -0.0230 -0.0230 2.8230 2.8230 2.8916 2.8916 3.1682 3.1682 3.1804 3.1804 3.2869 3.2869 5.3698 5.3698 5.3831 5.3831 5.6906 5.6906 7.9973 7.9973 10.9537 10.9537 10.9831 10.9831 12.2618 12.2618 15.1967 15.1967 16.1667 16.1667 16.1776 16.1776 k = 0.5000 0.5000 0.1585 ( 3124 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9751 -30.9751 -30.9696 -30.9696 -30.9682 -30.9682 -30.7305 -30.7305 -30.6965 -30.6965 -30.6923 -30.6923 -30.6746 -30.6746 -30.6327 -30.6327 -30.6065 -30.6065 -0.0085 -0.0085 2.8217 2.8217 2.8876 2.8876 3.1699 3.1699 3.1745 3.1745 3.2852 3.2852 5.4054 5.4054 5.4190 5.4190 5.7198 5.7198 7.9437 7.9437 10.8491 10.8491 10.8784 10.8784 12.0828 12.0828 15.2793 15.2793 16.2395 16.2395 16.2503 16.2503 k = 0.5000 0.5000 0.1707 ( 3124 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9752 -30.9752 -30.9700 -30.9700 -30.9685 -30.9685 -30.7314 -30.7314 -30.6970 -30.6970 -30.6914 -30.6914 -30.6751 -30.6751 -30.6310 -30.6310 -30.6064 -30.6064 0.0069 0.0069 2.8202 2.8202 2.8834 2.8834 3.1683 3.1683 3.1719 3.1719 3.2835 3.2835 5.4436 5.4436 5.4574 5.4574 5.7516 5.7516 7.8883 7.8883 10.7415 10.7415 10.7707 10.7707 11.9039 11.9039 15.3658 15.3658 16.3124 16.3124 16.3231 16.3231 k = 0.5000 0.5000 0.1829 ( 3124 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9753 -30.9753 -30.9704 -30.9704 -30.9689 -30.9689 -30.7324 -30.7324 -30.6975 -30.6975 -30.6905 -30.6905 -30.6756 -30.6756 -30.6294 -30.6294 -30.6063 -30.6063 0.0232 0.0232 2.8185 2.8185 2.8790 2.8790 3.1619 3.1619 3.1742 3.1742 3.2817 3.2817 5.4841 5.4841 5.4982 5.4982 5.7858 5.7858 7.8315 7.8315 10.6313 10.6313 10.6605 10.6605 11.7256 11.7256 15.4557 15.4557 16.3848 16.3848 16.3954 16.3954 k = 0.5000 0.5000 0.1951 ( 3120 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9754 -30.9754 -30.9707 -30.9707 -30.9692 -30.9692 -30.7333 -30.7333 -30.6981 -30.6981 -30.6896 -30.6896 -30.6760 -30.6760 -30.6278 -30.6278 -30.6062 -30.6062 0.0402 0.0402 2.8166 2.8166 2.8743 2.8743 3.1553 3.1553 3.1768 3.1768 3.2799 3.2799 5.5270 5.5270 5.5414 5.5414 5.8226 5.8226 7.7737 7.7737 10.5192 10.5192 10.5484 10.5484 11.5485 11.5485 15.5485 15.5485 16.4561 16.4561 16.4665 16.4665 k = 0.5000 0.5000 0.2073 ( 3128 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9755 -30.9755 -30.9711 -30.9711 -30.9696 -30.9696 -30.7342 -30.7342 -30.6987 -30.6987 -30.6887 -30.6887 -30.6763 -30.6763 -30.6262 -30.6262 -30.6061 -30.6061 0.0578 0.0578 2.8145 2.8145 2.8694 2.8694 3.1485 3.1485 3.1797 3.1797 3.2780 3.2780 5.5722 5.5722 5.5868 5.5868 5.8619 5.8619 7.7153 7.7153 10.4055 10.4055 10.4348 10.4348 11.3728 11.3728 15.6437 15.6437 16.5260 16.5260 16.5362 16.5362 k = 0.5000 0.5000 0.2195 ( 3128 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9757 -30.9757 -30.9715 -30.9715 -30.9700 -30.9700 -30.7351 -30.7351 -30.6993 -30.6993 -30.6878 -30.6878 -30.6766 -30.6766 -30.6246 -30.6246 -30.6060 -30.6060 0.0761 0.0761 2.8121 2.8121 2.8643 2.8643 3.1415 3.1415 3.1828 3.1828 3.2761 3.2761 5.6196 5.6196 5.6344 5.6344 5.9039 5.9039 7.6566 7.6566 10.2907 10.2907 10.3200 10.3200 11.1987 11.1987 15.7409 15.7409 16.5940 16.5940 16.6040 16.6040 k = 0.5000 0.5000 0.2317 ( 3120 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9757 -30.9757 -30.9719 -30.9719 -30.9704 -30.9704 -30.7360 -30.7360 -30.6999 -30.6999 -30.6870 -30.6870 -30.6768 -30.6768 -30.6230 -30.6230 -30.6059 -30.6059 0.0949 0.0949 2.8097 2.8097 2.8591 2.8591 3.1345 3.1345 3.1863 3.1863 3.2743 3.2743 5.6692 5.6692 5.6842 5.6842 5.9484 5.9484 7.5980 7.5980 10.1752 10.1752 10.2046 10.2046 11.0265 11.0265 15.8396 15.8396 16.6599 16.6599 16.6696 16.6696 k = 0.5000 0.5000 0.2439 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9759 -30.9759 -30.9723 -30.9723 -30.9708 -30.9708 -30.7369 -30.7369 -30.7005 -30.7005 -30.6862 -30.6862 -30.6770 -30.6770 -30.6216 -30.6216 -30.6059 -30.6059 0.1140 0.1140 2.8070 2.8070 2.8536 2.8536 3.1273 3.1273 3.1898 3.1898 3.2723 3.2723 5.7207 5.7207 5.7359 5.7359 5.9956 5.9956 7.5396 7.5396 10.0592 10.0592 10.0888 10.0888 10.8565 10.8565 15.9393 15.9393 16.7233 16.7233 16.7328 16.7328 k = 0.5000 0.5000 0.2561 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9760 -30.9760 -30.9727 -30.9727 -30.9712 -30.9712 -30.7377 -30.7377 -30.7011 -30.7011 -30.6854 -30.6854 -30.6771 -30.6771 -30.6201 -30.6201 -30.6057 -30.6057 0.1335 0.1335 2.8042 2.8042 2.8481 2.8481 3.1202 3.1202 3.1936 3.1936 3.2704 3.2704 5.7743 5.7743 5.7896 5.7896 6.0454 6.0454 7.4821 7.4821 9.9433 9.9433 9.9730 9.9730 10.6887 10.6887 16.0395 16.0395 16.7842 16.7842 16.7935 16.7935 k = 0.5000 0.5000 0.2683 ( 3128 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9761 -30.9761 -30.9731 -30.9731 -30.9716 -30.9716 -30.7385 -30.7385 -30.7017 -30.7017 -30.6846 -30.6846 -30.6772 -30.6772 -30.6187 -30.6187 -30.6056 -30.6056 0.1532 0.1532 2.8014 2.8014 2.8425 2.8425 3.1130 3.1130 3.1975 3.1975 3.2686 3.2686 5.8296 5.8296 5.8451 5.8451 6.0978 6.0978 7.4256 7.4256 9.8277 9.8277 9.8575 9.8575 10.5233 10.5233 16.1399 16.1399 16.8424 16.8424 16.8514 16.8514 k = 0.5000 0.5000 0.2805 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9762 -30.9762 -30.9735 -30.9735 -30.9720 -30.9720 -30.7392 -30.7392 -30.7023 -30.7023 -30.6839 -30.6839 -30.6773 -30.6773 -30.6173 -30.6173 -30.6055 -30.6055 0.1730 0.1730 2.7984 2.7984 2.8367 2.8367 3.1058 3.1058 3.2014 3.2014 3.2668 3.2668 5.8867 5.8867 5.9022 5.9022 6.1529 6.1529 7.3704 7.3704 9.7126 9.7126 9.7426 9.7426 10.3605 10.3605 16.2399 16.2399 16.8976 16.8976 16.9064 16.9064 k = 0.5000 0.5000 0.2927 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9763 -30.9763 -30.9738 -30.9738 -30.9724 -30.9724 -30.7400 -30.7400 -30.7029 -30.7029 -30.6832 -30.6832 -30.6774 -30.6774 -30.6160 -30.6160 -30.6054 -30.6054 0.1928 0.1928 2.7955 2.7955 2.8310 2.8310 3.0987 3.0987 3.2055 3.2055 3.2650 3.2650 5.9454 5.9454 5.9609 5.9609 6.2105 6.2105 7.3168 7.3168 9.5983 9.5983 9.6286 9.6286 10.2004 10.2004 16.3391 16.3391 16.9500 16.9500 16.9585 16.9585 k = 0.5000 0.5000 0.3049 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9765 -30.9765 -30.9742 -30.9742 -30.9728 -30.9728 -30.7407 -30.7407 -30.7034 -30.7034 -30.6825 -30.6825 -30.6774 -30.6774 -30.6147 -30.6147 -30.6053 -30.6053 0.2124 0.2124 2.7925 2.7925 2.8252 2.8252 3.0918 3.0918 3.2095 3.2095 3.2633 3.2633 6.0055 6.0055 6.0211 6.0211 6.2707 6.2707 7.2649 7.2649 9.4852 9.4852 9.5157 9.5157 10.0432 10.0432 16.4367 16.4367 16.9995 16.9995 17.0076 17.0076 k = 0.5000 0.5000 0.3171 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9766 -30.9766 -30.9746 -30.9746 -30.9732 -30.9732 -30.7414 -30.7414 -30.7040 -30.7040 -30.6818 -30.6818 -30.6774 -30.6774 -30.6135 -30.6135 -30.6052 -30.6052 0.2318 0.2318 2.7896 2.7896 2.8194 2.8194 3.0849 3.0849 3.2135 3.2135 3.2617 3.2617 6.0670 6.0670 6.0824 6.0824 6.3334 6.3334 7.2150 7.2150 9.3735 9.3735 9.4043 9.4043 9.8889 9.8889 16.5327 16.5327 17.0459 17.0459 17.0538 17.0538 k = 0.5000 0.5000 0.3293 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9767 -30.9767 -30.9749 -30.9749 -30.9735 -30.9735 -30.7420 -30.7420 -30.7044 -30.7044 -30.6812 -30.6812 -30.6774 -30.6774 -30.6124 -30.6124 -30.6051 -30.6051 0.2507 0.2507 2.7867 2.7867 2.8136 2.8136 3.0782 3.0782 3.2174 3.2174 3.2601 3.2601 6.1295 6.1295 6.1449 6.1449 6.3986 6.3986 7.1675 7.1675 9.2635 9.2635 9.2947 9.2947 9.7378 9.7378 16.6263 16.6263 17.0892 17.0892 17.0969 17.0969 k = 0.5000 0.5000 0.3415 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9768 -30.9768 -30.9752 -30.9752 -30.9739 -30.9739 -30.7426 -30.7426 -30.7049 -30.7049 -30.6807 -30.6807 -30.6774 -30.6774 -30.6113 -30.6113 -30.6050 -30.6050 0.2692 0.2692 2.7839 2.7839 2.8080 2.8080 3.0718 3.0718 3.2213 3.2213 3.2586 3.2586 6.1928 6.1928 6.2081 6.2081 6.4661 6.4661 7.1223 7.1223 9.1556 9.1556 9.1872 9.1872 9.5901 9.5901 16.7170 16.7170 17.1296 17.1296 17.1370 17.1370 k = 0.5000 0.5000 0.3537 ( 3128 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9768 -30.9768 -30.9755 -30.9755 -30.9742 -30.9742 -30.7431 -30.7431 -30.7053 -30.7053 -30.6801 -30.6801 -30.6773 -30.6773 -30.6103 -30.6103 -30.6049 -30.6049 0.2870 0.2870 2.7812 2.7812 2.8024 2.8024 3.0656 3.0656 3.2250 3.2250 3.2573 3.2573 6.2568 6.2568 6.2718 6.2718 6.5358 6.5358 7.0798 7.0798 9.0502 9.0502 9.0822 9.0822 9.4458 9.4458 16.8042 16.8042 17.1668 17.1668 17.1740 17.1740 k = 0.5000 0.5000 0.3659 ( 3128 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9769 -30.9769 -30.9758 -30.9758 -30.9745 -30.9745 -30.7436 -30.7436 -30.7057 -30.7057 -30.6797 -30.6797 -30.6773 -30.6773 -30.6093 -30.6093 -30.6048 -30.6048 0.3040 0.3040 2.7786 2.7786 2.7971 2.7971 3.0598 3.0598 3.2286 3.2286 3.2560 3.2560 6.3209 6.3209 6.3358 6.3358 6.6076 6.6076 7.0401 7.0401 8.9475 8.9475 8.9800 8.9800 9.3054 9.3054 16.8875 16.8875 17.2011 17.2011 17.2080 17.2080 k = 0.5000 0.5000 0.3780 ( 3136 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9770 -30.9770 -30.9761 -30.9761 -30.9748 -30.9748 -30.7441 -30.7441 -30.7061 -30.7061 -30.6792 -30.6792 -30.6773 -30.6773 -30.6085 -30.6085 -30.6047 -30.6047 0.3200 0.3200 2.7762 2.7762 2.7919 2.7919 3.0542 3.0542 3.2319 3.2319 3.2548 3.2548 6.3849 6.3849 6.3994 6.3994 6.6811 6.6811 7.0034 7.0034 8.8481 8.8481 8.8812 8.8812 9.1690 9.1690 16.9663 16.9663 17.2323 17.2323 17.2390 17.2390 k = 0.5000 0.5000 0.3902 ( 3128 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9771 -30.9771 -30.9763 -30.9763 -30.9751 -30.9751 -30.7445 -30.7445 -30.7065 -30.7065 -30.6788 -30.6788 -30.6772 -30.6772 -30.6077 -30.6077 -30.6046 -30.6046 0.3351 0.3351 2.7739 2.7739 2.7871 2.7871 3.0491 3.0491 3.2350 3.2350 3.2537 3.2537 6.4482 6.4482 6.4623 6.4623 6.7560 6.7560 6.9697 6.9697 8.7526 8.7526 8.7864 8.7864 9.0371 9.0371 17.0399 17.0399 17.2605 17.2605 17.2670 17.2670 k = 0.5000 0.5000 0.4024 ( 3128 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9771 -30.9771 -30.9765 -30.9765 -30.9754 -30.9754 -30.7449 -30.7449 -30.7068 -30.7068 -30.6784 -30.6784 -30.6772 -30.6772 -30.6070 -30.6070 -30.6045 -30.6045 0.3489 0.3489 2.7719 2.7719 2.7826 2.7826 3.0445 3.0445 3.2378 3.2378 3.2527 3.2527 6.5100 6.5100 6.5237 6.5237 6.8319 6.8319 6.9393 6.9393 8.6617 8.6617 8.6963 8.6963 8.9104 8.9104 17.1078 17.1078 17.2857 17.2857 17.2921 17.2921 k = 0.5000 0.5000 0.4146 ( 3132 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9772 -30.9772 -30.9767 -30.9767 -30.9756 -30.9756 -30.7452 -30.7452 -30.7071 -30.7071 -30.6781 -30.6781 -30.6772 -30.6772 -30.6064 -30.6064 -30.6045 -30.6045 0.3614 0.3614 2.7700 2.7700 2.7784 2.7784 3.0402 3.0402 3.2404 3.2404 3.2518 3.2518 6.5697 6.5697 6.5828 6.5828 6.9080 6.9080 6.9122 6.9122 8.5761 8.5761 8.6117 8.6117 8.7894 8.7894 17.1693 17.1693 17.3079 17.3079 17.3141 17.3141 k = 0.5000 0.5000 0.4268 ( 3140 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9773 -30.9773 -30.9769 -30.9769 -30.9758 -30.9758 -30.7455 -30.7455 -30.7073 -30.7073 -30.6778 -30.6778 -30.6772 -30.6772 -30.6058 -30.6058 -30.6044 -30.6044 0.3725 0.3725 2.7683 2.7683 2.7747 2.7747 3.0365 3.0365 3.2425 3.2425 3.2511 3.2511 6.6262 6.6262 6.6387 6.6387 6.8885 6.8885 6.9833 6.9833 8.4968 8.4968 8.5337 8.5337 8.6754 8.6754 17.2240 17.2240 17.3272 17.3272 17.3332 17.3332 k = 0.5000 0.5000 0.4390 ( 3124 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9773 -30.9773 -30.9770 -30.9770 -30.9759 -30.9759 -30.7457 -30.7457 -30.7075 -30.7075 -30.6776 -30.6776 -30.6771 -30.6771 -30.6053 -30.6053 -30.6044 -30.6044 0.3821 0.3821 2.7670 2.7670 2.7715 2.7715 3.0334 3.0334 3.2445 3.2445 3.2505 3.2505 6.6783 6.6783 6.6901 6.6901 6.8684 6.8684 7.0564 7.0564 8.4251 8.4251 8.4635 8.4635 8.5700 8.5700 17.2713 17.2713 17.3434 17.3434 17.3494 17.3494 k = 0.5000 0.5000 0.4512 ( 3124 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9773 -30.9773 -30.9772 -30.9772 -30.9761 -30.9761 -30.7460 -30.7460 -30.7076 -30.7076 -30.6774 -30.6774 -30.6771 -30.6771 -30.6050 -30.6050 -30.6043 -30.6043 0.3901 0.3901 2.7658 2.7658 2.7687 2.7687 3.0307 3.0307 3.2461 3.2461 3.2499 3.2499 6.7244 6.7244 6.7355 6.7355 6.8519 6.8519 7.1250 7.1250 8.3621 8.3621 8.4026 8.4026 8.4755 8.4755 17.3108 17.3108 17.3567 17.3567 17.3627 17.3627 k = 0.5000 0.5000 0.4634 ( 3112 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9773 -30.9773 -30.9772 -30.9772 -30.9761 -30.9761 -30.7461 -30.7461 -30.7077 -30.7077 -30.6772 -30.6772 -30.6770 -30.6770 -30.6046 -30.6046 -30.6043 -30.6043 0.3964 0.3964 2.7649 2.7649 2.7666 2.7666 3.0287 3.0287 3.2474 3.2474 3.2495 3.2495 6.7630 6.7630 6.7731 6.7731 6.8392 6.8392 7.1863 7.1863 8.3092 8.3092 8.3527 8.3527 8.3954 8.3954 17.3418 17.3418 17.3671 17.3671 17.3732 17.3732 k = 0.5000 0.5000 0.4756 ( 3112 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9773 -30.9773 -30.9773 -30.9773 -30.9762 -30.9762 -30.7462 -30.7462 -30.7078 -30.7078 -30.6771 -30.6771 -30.6770 -30.6770 -30.6044 -30.6044 -30.6042 -30.6042 0.4009 0.4009 2.7643 2.7643 2.7650 2.7650 3.0272 3.0272 3.2483 3.2483 3.2492 3.2492 6.7922 6.7922 6.8009 6.8009 6.8309 6.8309 7.2358 7.2358 8.2677 8.2677 8.3155 8.3155 8.3345 8.3345 17.3639 17.3639 17.3745 17.3745 17.3809 17.3809 k = 0.5000 0.5000 0.4878 ( 3112 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9774 -30.9774 -30.9774 -30.9774 -30.9763 -30.9763 -30.7463 -30.7463 -30.7079 -30.7079 -30.6770 -30.6770 -30.6770 -30.6770 -30.6043 -30.6043 -30.6042 -30.6042 0.4037 0.4037 2.7639 2.7639 2.7640 2.7640 3.0263 3.0263 3.2488 3.2488 3.2491 3.2491 6.8105 6.8105 6.8149 6.8149 6.8293 6.8293 7.2686 7.2686 8.2398 8.2398 8.2923 8.2923 8.2970 8.2970 17.3766 17.3766 17.3789 17.3789 17.3863 17.3863 k = 0.5000 0.5000 0.5000 ( 3112 PWs) bands (ev): -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -64.0089 -30.9774 -30.9774 -30.9774 -30.9774 -30.9763 -30.9763 -30.7463 -30.7463 -30.7079 -30.7079 -30.6770 -30.6770 -30.6770 -30.6770 -30.6042 -30.6042 -30.6042 -30.6042 0.4046 0.4046 2.7637 2.7637 2.7637 2.7637 3.0260 3.0260 3.2490 3.2490 3.2490 3.2490 6.8167 6.8167 6.8167 6.8167 6.8317 6.8317 7.2802 7.2802 8.2297 8.2297 8.2845 8.2845 8.2845 8.2845 17.3804 17.3804 17.3804 17.3804 17.3886 17.3886 Writing output data file Mg3ZnC.save init_run : 0.18s CPU 0.34s WALL ( 1 calls) electrons : 116.50s CPU 119.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 116.50s CPU 119.38s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 313 calls) cegterg : 108.16s CPU 109.82s WALL ( 434 calls) Called by sum_band: Called by *egterg: h_psi : 53.81s CPU 54.89s WALL ( 6342 calls) s_psi : 1.82s CPU 1.88s WALL ( 6342 calls) g_psi : 0.12s CPU 0.13s WALL ( 5595 calls) cdiaghg : 48.83s CPU 49.54s WALL ( 5908 calls) cegterg:over : 3.76s CPU 3.79s WALL ( 5595 calls) cegterg:upda : 3.06s CPU 3.09s WALL ( 5595 calls) cegterg:last : 1.69s CPU 1.75s WALL ( 942 calls) cdiaghg:chol : 2.77s CPU 2.75s WALL ( 5908 calls) cdiaghg:inve : 1.72s CPU 1.91s WALL ( 5908 calls) cdiaghg:para : 3.22s CPU 3.30s WALL ( 11816 calls) Called by h_psi: h_psi:vloc : 49.21s CPU 50.12s WALL ( 6342 calls) h_psi:vnl : 4.46s CPU 4.64s WALL ( 6342 calls) add_vuspsi : 2.18s CPU 2.22s WALL ( 6342 calls) General routines calbec : 2.28s CPU 2.40s WALL ( 6342 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 46.12s CPU 46.93s WALL ( 627720 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.16s WALL ( 626 calls) Parallel routines fft_scatter : 17.43s CPU 17.75s WALL ( 627743 calls) PWSCF : 2m10.50s CPU 2m24.11s WALL This run was terminated on: 17: 8:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=