Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 4:41 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: ./Zn3P2.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 45 13 2658 1395 215 Max 71 46 14 2663 1412 218 Sum 2537 1649 481 95769 50541 7809 bravais-lattice index = 14 lattice parameter (alat) = 10.7336 a.u. unit-cell volume = 1236.6349 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 92.00 number of Kohn-Sham states= 110 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.733644 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 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 PseudoPot. # 2 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Zn 12.00 65.40900 Zn( 1.00) P 5.00 30.97380 P( 1.00) 48 Sym. Ops., with inversion, found (36 have fractional translation) 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 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) f =( -0.5000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -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 ) f =( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) 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 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 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 ) f =( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) 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= 218 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0045872 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0045872 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0045872 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0045872 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0045872 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0045872 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0045872 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0045872 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0045872 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0045872 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0045872 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0045872 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0045872 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0045872 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0045872 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0045872 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0045872 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0045872 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0045872 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0045872 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0045872 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0045872 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0045872 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0045872 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0045872 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0045872 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0045872 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045872 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045872 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0045872 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0045872 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0045872 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0045872 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0045872 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0045872 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0045872 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045872 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0045872 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0045872 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0045872 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0045872 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0045872 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0045872 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0045872 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045872 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045872 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0045872 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045872 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0045872 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0045872 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0045872 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0045872 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0045872 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0045872 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0045872 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0045872 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045872 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045872 k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0045872 k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0045872 k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0045872 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045872 k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0045872 k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0045872 k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0045872 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045872 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045872 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045872 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045872 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045872 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045872 k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0045872 k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0045872 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045872 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045872 k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0045872 k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0045872 k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045872 k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0045872 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0045872 k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0045872 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045872 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045872 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045872 k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0045872 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045872 k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0045872 k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0045872 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0045872 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045872 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045872 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045872 k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0045872 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045872 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045872 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0045872 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0045872 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 101) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0045872 k( 102) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0045872 k( 103) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0045872 k( 104) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0045872 k( 105) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0045872 k( 106) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0045872 k( 107) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0045872 k( 108) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0045872 k( 109) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0045872 k( 110) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0045872 k( 111) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0045872 k( 112) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045872 k( 113) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0045872 k( 114) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0045872 k( 115) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0045872 k( 116) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0045872 k( 117) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0045872 k( 118) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0045872 k( 119) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0045872 k( 120) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0045872 k( 121) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0045872 k( 122) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0045872 k( 123) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0045872 k( 124) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045872 k( 125) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0045872 k( 126) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0045872 k( 127) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0045872 k( 128) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0045872 k( 129) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0045872 k( 130) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0045872 k( 131) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0045872 k( 132) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045872 k( 133) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0045872 k( 134) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0045872 k( 135) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0045872 k( 136) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045872 k( 137) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0045872 k( 138) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0045872 k( 139) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0045872 k( 140) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0045872 k( 141) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0045872 k( 142) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0045872 k( 143) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0045872 k( 144) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0045872 k( 145) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0045872 k( 146) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0045872 k( 147) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0045872 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 150) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045872 k( 151) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045872 k( 152) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045872 k( 153) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045872 k( 154) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045872 k( 155) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045872 k( 156) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045872 k( 157) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045872 k( 158) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045872 k( 159) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045872 k( 160) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045872 k( 161) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045872 k( 162) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045872 k( 163) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045872 k( 164) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045872 k( 165) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045872 k( 166) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045872 k( 167) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045872 k( 168) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045872 k( 169) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045872 k( 170) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045872 k( 171) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045872 k( 172) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045872 k( 173) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045872 k( 174) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045872 k( 175) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045872 k( 176) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045872 k( 177) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045872 k( 178) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045872 k( 179) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045872 k( 180) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045872 k( 181) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045872 k( 182) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045872 k( 183) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045872 k( 184) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045872 k( 185) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045872 k( 186) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045872 k( 187) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045872 k( 188) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045872 k( 189) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045872 k( 190) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045872 k( 191) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045872 k( 192) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045872 k( 193) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045872 k( 194) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045872 k( 195) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045872 k( 196) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045872 k( 197) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045872 k( 198) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045872 k( 199) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045872 k( 200) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045872 k( 201) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045872 k( 202) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045872 k( 203) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045872 k( 204) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045872 k( 205) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045872 k( 206) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045872 k( 207) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045872 k( 208) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045872 k( 209) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045872 k( 210) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045872 k( 211) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045872 k( 212) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045872 k( 213) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045872 k( 214) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045872 k( 215) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045872 k( 216) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045872 k( 217) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045872 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0045872 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0045872 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0045872 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0045872 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0045872 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0045872 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0045872 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0045872 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0045872 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0045872 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0045872 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0045872 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0045872 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0045872 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0045872 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0045872 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0045872 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0045872 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0045872 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0045872 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0045872 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0045872 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0045872 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0045872 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0045872 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0045872 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0045872 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045872 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045872 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0045872 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0045872 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0045872 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0045872 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0045872 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0045872 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0045872 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0045872 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0045872 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0045872 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0045872 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0045872 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0045872 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0045872 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0045872 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045872 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045872 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0045872 k( 49) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0045872 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0045872 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0045872 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0045872 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0045872 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0045872 k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0045872 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0045872 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0045872 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872 k( 60) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0045872 k( 61) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0045872 k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0045872 k( 63) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0045872 k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0045872 k( 65) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0045872 k( 66) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0045872 k( 67) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045872 k( 68) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0045872 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045872 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045872 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045872 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045872 k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0045872 k( 74) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0045872 k( 75) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0045872 k( 76) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0045872 k( 77) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0045872 k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0045872 k( 79) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0045872 k( 80) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0045872 k( 81) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0045872 k( 82) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0045872 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045872 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045872 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045872 k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0045872 k( 87) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0045872 k( 88) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0045872 k( 89) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0045872 k( 90) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0045872 k( 91) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045872 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045872 k( 93) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0045872 k( 94) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0045872 k( 95) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045872 k( 96) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0045872 k( 97) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0045872 k( 98) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0045872 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 101) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0045872 k( 102) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0045872 k( 103) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0045872 k( 104) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0045872 k( 105) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0045872 k( 106) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0045872 k( 107) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0045872 k( 108) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0045872 k( 109) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0045872 k( 110) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0045872 k( 111) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0045872 k( 112) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045872 k( 113) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0045872 k( 114) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0045872 k( 115) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0045872 k( 116) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0045872 k( 117) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0045872 k( 118) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0045872 k( 119) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0045872 k( 120) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0045872 k( 121) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0045872 k( 122) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0045872 k( 123) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0045872 k( 124) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045872 k( 125) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0045872 k( 126) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0045872 k( 127) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0045872 k( 128) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0045872 k( 129) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0045872 k( 130) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0045872 k( 131) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0045872 k( 132) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045872 k( 133) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0045872 k( 134) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0045872 k( 135) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0045872 k( 136) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045872 k( 137) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0045872 k( 138) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0045872 k( 139) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0045872 k( 140) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0045872 k( 141) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0045872 k( 142) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0045872 k( 143) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0045872 k( 144) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0045872 k( 145) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0045872 k( 146) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0045872 k( 147) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0045872 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 150) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045872 k( 151) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045872 k( 152) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045872 k( 153) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045872 k( 154) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045872 k( 155) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045872 k( 156) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045872 k( 157) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045872 k( 158) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045872 k( 159) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045872 k( 160) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045872 k( 161) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045872 k( 162) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045872 k( 163) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045872 k( 164) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045872 k( 165) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045872 k( 166) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045872 k( 167) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045872 k( 168) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045872 k( 169) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045872 k( 170) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045872 k( 171) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045872 k( 172) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045872 k( 173) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045872 k( 174) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045872 k( 175) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045872 k( 176) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045872 k( 177) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045872 k( 178) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045872 k( 179) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045872 k( 180) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045872 k( 181) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045872 k( 182) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045872 k( 183) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045872 k( 184) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045872 k( 185) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045872 k( 186) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045872 k( 187) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045872 k( 188) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045872 k( 189) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045872 k( 190) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872 k( 191) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045872 k( 192) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045872 k( 193) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045872 k( 194) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045872 k( 195) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045872 k( 196) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045872 k( 197) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045872 k( 198) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045872 k( 199) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045872 k( 200) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045872 k( 201) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045872 k( 202) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045872 k( 203) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045872 k( 204) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045872 k( 205) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045872 k( 206) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045872 k( 207) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045872 k( 208) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045872 k( 209) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045872 k( 210) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045872 k( 211) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045872 k( 212) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045872 k( 213) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045872 k( 214) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045872 k( 215) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045872 k( 216) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045872 k( 217) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045872 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 Dense grid: 95769 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 50541 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.59 Mb ( 350, 110) NL pseudopotentials 0.91 Mb ( 175, 340) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2660) G-vector shells 0.00 Mb ( 549) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.35 Mb ( 350, 440) Each subspace H/S matrix 0.18 Mb ( 110, 110) Each matrix 1.14 Mb ( 340, 2, 110) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./Zn3P2.save/charge-density.dat Starting wfc are 140 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.0 secs Computing kpt #: 5 total cpu time spent up to now is 9.3 secs Computing kpt #: 6 total cpu time spent up to now is 11.2 secs Computing kpt #: 7 total cpu time spent up to now is 12.5 secs Computing kpt #: 8 total cpu time spent up to now is 13.8 secs Computing kpt #: 9 total cpu time spent up to now is 15.1 secs Computing kpt #: 10 total cpu time spent up to now is 16.5 secs Computing kpt #: 11 total cpu time spent up to now is 17.8 secs Computing kpt #: 12 total cpu time spent up to now is 19.2 secs Computing kpt #: 13 total cpu time spent up to now is 20.6 secs Computing kpt #: 14 total cpu time spent up to now is 22.0 secs Computing kpt #: 15 total cpu time spent up to now is 23.4 secs Computing kpt #: 16 total cpu time spent up to now is 24.8 secs Computing kpt #: 17 total cpu time spent up to now is 26.3 secs Computing kpt #: 18 total cpu time spent up to now is 27.8 secs Computing kpt #: 19 total cpu time spent up to now is 29.3 secs Computing kpt #: 20 total cpu time spent up to now is 30.8 secs Computing kpt #: 21 total cpu time spent up to now is 32.5 secs Computing kpt #: 22 total cpu time spent up to now is 34.4 secs Computing kpt #: 23 total cpu time spent up to now is 36.3 secs Computing kpt #: 24 total cpu time spent up to now is 38.2 secs Computing kpt #: 25 total cpu time spent up to now is 40.1 secs Computing kpt #: 26 total cpu time spent up to now is 42.0 secs Computing kpt #: 27 total cpu time spent up to now is 44.0 secs Computing kpt #: 28 total cpu time spent up to now is 45.9 secs Computing kpt #: 29 total cpu time spent up to now is 47.5 secs Computing kpt #: 30 total cpu time spent up to now is 49.0 secs Computing kpt #: 31 total cpu time spent up to now is 51.0 secs Computing kpt #: 32 total cpu time spent up to now is 52.9 secs Computing kpt #: 33 total cpu time spent up to now is 54.8 secs Computing kpt #: 34 total cpu time spent up to now is 56.8 secs Computing kpt #: 35 total cpu time spent up to now is 58.5 secs Computing kpt #: 36 total cpu time spent up to now is 60.3 secs Computing kpt #: 37 total cpu time spent up to now is 62.0 secs Computing kpt #: 38 total cpu time spent up to now is 64.0 secs Computing kpt #: 39 total cpu time spent up to now is 65.8 secs Computing kpt #: 40 total cpu time spent up to now is 67.6 secs Computing kpt #: 41 total cpu time spent up to now is 69.4 secs Computing kpt #: 42 total cpu time spent up to now is 71.4 secs Computing kpt #: 43 total cpu time spent up to now is 73.3 secs Computing kpt #: 44 total cpu time spent up to now is 75.3 secs Computing kpt #: 45 total cpu time spent up to now is 77.3 secs Computing kpt #: 46 total cpu time spent up to now is 79.3 secs Computing kpt #: 47 total cpu time spent up to now is 81.4 secs Computing kpt #: 48 total cpu time spent up to now is 83.4 secs Computing kpt #: 49 total cpu time spent up to now is 85.4 secs Computing kpt #: 50 total cpu time spent up to now is 87.2 secs Computing kpt #: 51 total cpu time spent up to now is 89.2 secs Computing kpt #: 52 total cpu time spent up to now is 91.0 secs Computing kpt #: 53 total cpu time spent up to now is 93.0 secs Computing kpt #: 54 total cpu time spent up to now is 95.0 secs Computing kpt #: 55 total cpu time spent up to now is 96.9 secs Computing kpt #: 56 total cpu time spent up to now is 98.9 secs Computing kpt #: 57 total cpu time spent up to now is 100.9 secs Computing kpt #: 58 total cpu time spent up to now is 102.9 secs Computing kpt #: 59 total cpu time spent up to now is 104.8 secs Computing kpt #: 60 total cpu time spent up to now is 106.8 secs Computing kpt #: 61 total cpu time spent up to now is 108.8 secs Computing kpt #: 62 total cpu time spent up to now is 110.5 secs Computing kpt #: 63 total cpu time spent up to now is 112.3 secs Computing kpt #: 64 total cpu time spent up to now is 114.0 secs Computing kpt #: 65 total cpu time spent up to now is 115.7 secs Computing kpt #: 66 total cpu time spent up to now is 117.4 secs Computing kpt #: 67 total cpu time spent up to now is 119.1 secs Computing kpt #: 68 total cpu time spent up to now is 120.7 secs Computing kpt #: 69 total cpu time spent up to now is 122.5 secs Computing kpt #: 70 total cpu time spent up to now is 124.2 secs Computing kpt #: 71 total cpu time spent up to now is 125.9 secs Computing kpt #: 72 total cpu time spent up to now is 127.7 secs Computing kpt #: 73 total cpu time spent up to now is 129.6 secs Computing kpt #: 74 total cpu time spent up to now is 131.6 secs Computing kpt #: 75 total cpu time spent up to now is 133.3 secs Computing kpt #: 76 total cpu time spent up to now is 135.3 secs Computing kpt #: 77 total cpu time spent up to now is 137.1 secs Computing kpt #: 78 total cpu time spent up to now is 138.7 secs Computing kpt #: 79 total cpu time spent up to now is 140.6 secs Computing kpt #: 80 total cpu time spent up to now is 142.4 secs Computing kpt #: 81 total cpu time spent up to now is 144.0 secs Computing kpt #: 82 total cpu time spent up to now is 145.5 secs Computing kpt #: 83 total cpu time spent up to now is 147.1 secs Computing kpt #: 84 total cpu time spent up to now is 148.6 secs Computing kpt #: 85 total cpu time spent up to now is 150.1 secs Computing kpt #: 86 total cpu time spent up to now is 151.6 secs Computing kpt #: 87 total cpu time spent up to now is 153.1 secs Computing kpt #: 88 total cpu time spent up to now is 154.5 secs Computing kpt #: 89 total cpu time spent up to now is 156.0 secs Computing kpt #: 90 total cpu time spent up to now is 157.4 secs Computing kpt #: 91 total cpu time spent up to now is 158.8 secs Computing kpt #: 92 total cpu time spent up to now is 160.2 secs Computing kpt #: 93 total cpu time spent up to now is 161.6 secs Computing kpt #: 94 total cpu time spent up to now is 163.0 secs Computing kpt #: 95 total cpu time spent up to now is 164.3 secs Computing kpt #: 96 total cpu time spent up to now is 165.6 secs Computing kpt #: 97 total cpu time spent up to now is 166.9 secs Computing kpt #: 98 total cpu time spent up to now is 168.2 secs Computing kpt #: 99 total cpu time spent up to now is 169.4 secs Computing kpt #: 100 total cpu time spent up to now is 170.7 secs Computing kpt #: 101 total cpu time spent up to now is 171.9 secs Computing kpt #: 102 total cpu time spent up to now is 173.2 secs Computing kpt #: 103 total cpu time spent up to now is 174.5 secs Computing kpt #: 104 total cpu time spent up to now is 175.8 secs Computing kpt #: 105 total cpu time spent up to now is 177.2 secs Computing kpt #: 106 total cpu time spent up to now is 178.6 secs Computing kpt #: 107 total cpu time spent up to now is 180.0 secs Computing kpt #: 108 total cpu time spent up to now is 181.4 secs Computing kpt #: 109 total cpu time spent up to now is 182.8 secs Computing kpt #: 110 total cpu time spent up to now is 184.2 secs Computing kpt #: 111 total cpu time spent up to now is 185.7 secs Computing kpt #: 112 total cpu time spent up to now is 187.1 secs Computing kpt #: 113 total cpu time spent up to now is 188.6 secs Computing kpt #: 114 total cpu time spent up to now is 190.1 secs Computing kpt #: 115 total cpu time spent up to now is 191.5 secs Computing kpt #: 116 total cpu time spent up to now is 193.0 secs Computing kpt #: 117 total cpu time spent up to now is 194.5 secs Computing kpt #: 118 total cpu time spent up to now is 196.1 secs Computing kpt #: 119 total cpu time spent up to now is 197.7 secs Computing kpt #: 120 total cpu time spent up to now is 199.3 secs Computing kpt #: 121 total cpu time spent up to now is 200.9 secs Computing kpt #: 122 total cpu time spent up to now is 202.6 secs Computing kpt #: 123 total cpu time spent up to now is 204.3 secs Computing kpt #: 124 total cpu time spent up to now is 206.1 secs Computing kpt #: 125 total cpu time spent up to now is 208.0 secs Computing kpt #: 126 total cpu time spent up to now is 209.9 secs Computing kpt #: 127 total cpu time spent up to now is 211.9 secs Computing kpt #: 128 total cpu time spent up to now is 213.8 secs Computing kpt #: 129 total cpu time spent up to now is 215.5 secs Computing kpt #: 130 total cpu time spent up to now is 217.2 secs Computing kpt #: 131 total cpu time spent up to now is 218.8 secs Computing kpt #: 132 total cpu time spent up to now is 220.5 secs Computing kpt #: 133 total cpu time spent up to now is 222.2 secs Computing kpt #: 134 total cpu time spent up to now is 223.9 secs Computing kpt #: 135 total cpu time spent up to now is 225.6 secs Computing kpt #: 136 total cpu time spent up to now is 227.3 secs Computing kpt #: 137 total cpu time spent up to now is 229.0 secs Computing kpt #: 138 total cpu time spent up to now is 230.8 secs Computing kpt #: 139 total cpu time spent up to now is 232.7 secs Computing kpt #: 140 total cpu time spent up to now is 234.6 secs Computing kpt #: 141 total cpu time spent up to now is 236.6 secs Computing kpt #: 142 total cpu time spent up to now is 238.2 secs Computing kpt #: 143 total cpu time spent up to now is 239.9 secs Computing kpt #: 144 total cpu time spent up to now is 241.5 secs Computing kpt #: 145 total cpu time spent up to now is 243.0 secs Computing kpt #: 146 total cpu time spent up to now is 244.5 secs Computing kpt #: 147 total cpu time spent up to now is 245.9 secs Computing kpt #: 148 total cpu time spent up to now is 247.3 secs Computing kpt #: 149 total cpu time spent up to now is 248.7 secs Computing kpt #: 150 total cpu time spent up to now is 250.1 secs Computing kpt #: 151 total cpu time spent up to now is 251.6 secs Computing kpt #: 152 total cpu time spent up to now is 253.1 secs Computing kpt #: 153 total cpu time spent up to now is 254.6 secs Computing kpt #: 154 total cpu time spent up to now is 256.2 secs Computing kpt #: 155 total cpu time spent up to now is 257.8 secs Computing kpt #: 156 total cpu time spent up to now is 259.5 secs Computing kpt #: 157 total cpu time spent up to now is 261.2 secs Computing kpt #: 158 total cpu time spent up to now is 262.9 secs Computing kpt #: 159 total cpu time spent up to now is 264.9 secs Computing kpt #: 160 total cpu time spent up to now is 266.9 secs Computing kpt #: 161 total cpu time spent up to now is 268.9 secs Computing kpt #: 162 total cpu time spent up to now is 270.9 secs Computing kpt #: 163 total cpu time spent up to now is 272.8 secs Computing kpt #: 164 total cpu time spent up to now is 274.8 secs Computing kpt #: 165 total cpu time spent up to now is 276.8 secs Computing kpt #: 166 total cpu time spent up to now is 278.6 secs Computing kpt #: 167 total cpu time spent up to now is 280.4 secs Computing kpt #: 168 total cpu time spent up to now is 282.2 secs Computing kpt #: 169 total cpu time spent up to now is 284.2 secs Computing kpt #: 170 total cpu time spent up to now is 285.9 secs Computing kpt #: 171 total cpu time spent up to now is 287.6 secs Computing kpt #: 172 total cpu time spent up to now is 289.2 secs Computing kpt #: 173 total cpu time spent up to now is 290.9 secs Computing kpt #: 174 total cpu time spent up to now is 292.6 secs Computing kpt #: 175 total cpu time spent up to now is 294.3 secs Computing kpt #: 176 total cpu time spent up to now is 296.2 secs Computing kpt #: 177 total cpu time spent up to now is 298.2 secs Computing kpt #: 178 total cpu time spent up to now is 300.0 secs Computing kpt #: 179 total cpu time spent up to now is 301.8 secs Computing kpt #: 180 total cpu time spent up to now is 303.5 secs Computing kpt #: 181 total cpu time spent up to now is 305.2 secs Computing kpt #: 182 total cpu time spent up to now is 306.9 secs Computing kpt #: 183 total cpu time spent up to now is 308.6 secs Computing kpt #: 184 total cpu time spent up to now is 310.2 secs Computing kpt #: 185 total cpu time spent up to now is 311.9 secs Computing kpt #: 186 total cpu time spent up to now is 313.5 secs Computing kpt #: 187 total cpu time spent up to now is 315.2 secs Computing kpt #: 188 total cpu time spent up to now is 316.9 secs Computing kpt #: 189 total cpu time spent up to now is 318.4 secs Computing kpt #: 190 total cpu time spent up to now is 320.4 secs Computing kpt #: 191 total cpu time spent up to now is 323.2 secs Computing kpt #: 192 total cpu time spent up to now is 325.2 secs Computing kpt #: 193 total cpu time spent up to now is 327.2 secs Computing kpt #: 194 total cpu time spent up to now is 329.3 secs Computing kpt #: 195 total cpu time spent up to now is 331.3 secs Computing kpt #: 196 total cpu time spent up to now is 333.3 secs Computing kpt #: 197 total cpu time spent up to now is 335.3 secs Computing kpt #: 198 total cpu time spent up to now is 337.1 secs Computing kpt #: 199 total cpu time spent up to now is 339.0 secs Computing kpt #: 200 total cpu time spent up to now is 341.0 secs Computing kpt #: 201 total cpu time spent up to now is 343.0 secs Computing kpt #: 202 total cpu time spent up to now is 344.9 secs Computing kpt #: 203 total cpu time spent up to now is 346.9 secs Computing kpt #: 204 total cpu time spent up to now is 348.8 secs Computing kpt #: 205 total cpu time spent up to now is 350.8 secs Computing kpt #: 206 total cpu time spent up to now is 352.8 secs Computing kpt #: 207 total cpu time spent up to now is 354.8 secs Computing kpt #: 208 total cpu time spent up to now is 357.3 secs Computing kpt #: 209 total cpu time spent up to now is 358.9 secs Computing kpt #: 210 total cpu time spent up to now is 360.5 secs Computing kpt #: 211 total cpu time spent up to now is 362.1 secs Computing kpt #: 212 total cpu time spent up to now is 363.6 secs Computing kpt #: 213 total cpu time spent up to now is 365.1 secs Computing kpt #: 214 total cpu time spent up to now is 366.6 secs Computing kpt #: 215 total cpu time spent up to now is 368.1 secs Computing kpt #: 216 total cpu time spent up to now is 369.5 secs Computing kpt #: 217 total cpu time spent up to now is 370.9 secs Computing kpt #: 218 total cpu time spent up to now is 372.3 secs ethr = 1.09E-08, avg # of iterations = 18.2 total cpu time spent up to now is 372.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -4.5056 -4.5056 -2.7025 -2.7025 -2.6983 -2.6983 -2.6983 -2.6983 -0.4568 -0.4568 -0.4568 -0.4568 -0.1047 -0.1047 -0.1047 -0.1047 0.0033 0.0033 0.0033 0.0033 0.0223 0.0223 0.1095 0.1095 0.2346 0.2346 0.3014 0.3014 0.4336 0.4336 0.4336 0.4336 0.5237 0.5237 0.5237 0.5237 0.5517 0.5517 0.6266 0.6266 0.6573 0.6573 0.6789 0.6789 0.6789 0.6789 0.6945 0.6945 0.7505 0.7505 0.7505 0.7505 0.8231 0.8231 0.8231 0.8231 0.8664 0.8664 0.8664 0.8664 0.9395 0.9395 0.9692 0.9692 0.9692 0.9692 1.0997 1.0997 1.9549 1.9549 1.9549 1.9549 4.2170 4.2170 4.2170 4.2170 4.2372 4.2372 4.4421 4.4421 5.7074 5.7074 5.7074 5.7074 5.7212 5.7212 7.2114 7.2114 7.2114 7.2114 8.0828 8.0828 8.1144 8.1144 8.1144 8.1144 8.4192 8.4192 8.9933 8.9933 9.0210 9.0210 9.0210 9.0210 11.4137 11.4137 11.5335 11.5335 11.5335 11.5335 k = 0.0000 0.0179-0.0000 ( 6347 PWs) bands (ev): -4.5046 -4.5046 -2.7034 -2.7034 -2.6995 -2.6995 -2.6983 -2.6983 -0.4563 -0.4563 -0.4558 -0.4558 -0.1048 -0.1048 -0.1044 -0.1044 0.0033 0.0033 0.0037 0.0037 0.0225 0.0225 0.1097 0.1097 0.2346 0.2346 0.3015 0.3015 0.4322 0.4322 0.4333 0.4333 0.5234 0.5234 0.5246 0.5246 0.5515 0.5515 0.6258 0.6258 0.6571 0.6571 0.6787 0.6787 0.6788 0.6788 0.6944 0.6944 0.7506 0.7506 0.7511 0.7511 0.8226 0.8226 0.8233 0.8233 0.8664 0.8664 0.8664 0.8664 0.9395 0.9395 0.9686 0.9686 0.9697 0.9697 1.0992 1.0992 1.9554 1.9554 1.9592 1.9592 4.2120 4.2120 4.2167 4.2167 4.2351 4.2351 4.4435 4.4435 5.7020 5.7020 5.7062 5.7062 5.7185 5.7185 7.2168 7.2168 7.2213 7.2213 8.0635 8.0635 8.0963 8.0963 8.1092 8.1092 8.4538 8.4538 8.9987 8.9987 9.0249 9.0249 9.0280 9.0280 11.4148 11.4148 11.5309 11.5309 11.5382 11.5382 k = 0.0000 0.0357-0.0000 ( 6323 PWs) bands (ev): -4.5014 -4.5014 -2.7086 -2.7086 -2.7005 -2.7005 -2.6983 -2.6983 -0.4550 -0.4550 -0.4530 -0.4530 -0.1050 -0.1050 -0.1031 -0.1031 0.0032 0.0032 0.0048 0.0048 0.0230 0.0230 0.1103 0.1103 0.2345 0.2345 0.3015 0.3015 0.4282 0.4282 0.4323 0.4323 0.5227 0.5227 0.5274 0.5274 0.5511 0.5511 0.6233 0.6233 0.6566 0.6566 0.6781 0.6781 0.6786 0.6786 0.6941 0.6941 0.7510 0.7510 0.7527 0.7527 0.8212 0.8212 0.8239 0.8239 0.8660 0.8660 0.8665 0.8665 0.9394 0.9394 0.9672 0.9672 0.9714 0.9714 1.0979 1.0979 1.9568 1.9568 1.9718 1.9718 4.1941 4.1941 4.2157 4.2157 4.2316 4.2316 4.4476 4.4476 5.6833 5.6833 5.7028 5.7028 5.7132 5.7132 7.2323 7.2323 7.2506 7.2506 7.9965 7.9965 8.0762 8.0762 8.0939 8.0939 8.5330 8.5330 9.0116 9.0116 9.0397 9.0397 9.0487 9.0487 11.4149 11.4149 11.5263 11.5263 11.5523 11.5523 k = 0.0000 0.0536-0.0000 ( 6331 PWs) bands (ev): -4.4962 -4.4962 -2.7187 -2.7187 -2.7007 -2.7007 -2.6982 -2.6982 -0.4527 -0.4527 -0.4482 -0.4482 -0.1057 -0.1057 -0.1017 -0.1017 0.0029 0.0029 0.0067 0.0067 0.0237 0.0237 0.1110 0.1110 0.2344 0.2344 0.3017 0.3017 0.4222 0.4222 0.4306 0.4306 0.5216 0.5216 0.5315 0.5315 0.5503 0.5503 0.6193 0.6193 0.6557 0.6557 0.6771 0.6771 0.6781 0.6781 0.6935 0.6935 0.7515 0.7515 0.7550 0.7550 0.8190 0.8190 0.8248 0.8248 0.8651 0.8651 0.8665 0.8665 0.9389 0.9389 0.9654 0.9654 0.9742 0.9742 1.0957 1.0957 1.9592 1.9592 1.9925 1.9925 4.1626 4.1626 4.2141 4.2141 4.2286 4.2286 4.4544 4.4544 5.6513 5.6513 5.6973 5.6973 5.7067 5.7067 7.2560 7.2560 7.2986 7.2986 7.9116 7.9116 8.0520 8.0520 8.0691 8.0691 8.6303 8.6303 9.0260 9.0260 9.0704 9.0704 9.0827 9.0827 11.4047 11.4047 11.5296 11.5296 11.5756 11.5756 k = 0.0000 0.0714-0.0000 ( 6319 PWs) bands (ev): -4.4889 -4.4889 -2.7330 -2.7330 -2.7007 -2.7007 -2.6981 -2.6981 -0.4496 -0.4496 -0.4416 -0.4416 -0.1066 -0.1066 -0.0996 -0.0996 0.0027 0.0027 0.0093 0.0093 0.0248 0.0248 0.1119 0.1119 0.2342 0.2342 0.3018 0.3018 0.4146 0.4146 0.4283 0.4283 0.5202 0.5202 0.5363 0.5363 0.5489 0.5489 0.6143 0.6143 0.6545 0.6545 0.6760 0.6760 0.6775 0.6775 0.6928 0.6928 0.7523 0.7523 0.7578 0.7578 0.8159 0.8159 0.8259 0.8259 0.8640 0.8640 0.8666 0.8666 0.9374 0.9374 0.9639 0.9639 0.9782 0.9782 1.0931 1.0931 1.9626 1.9626 2.0207 2.0207 4.1190 4.1190 4.2116 4.2116 4.2253 4.2253 4.4640 4.4640 5.6080 5.6080 5.6902 5.6902 5.6988 5.6988 7.2847 7.2847 7.3640 7.3640 7.8250 7.8250 8.0207 8.0207 8.0359 8.0359 8.7355 8.7355 9.0419 9.0419 9.1161 9.1161 9.1289 9.1289 11.3766 11.3766 11.5492 11.5492 11.6076 11.6076 k = 0.0000 0.0893-0.0000 ( 6323 PWs) bands (ev): -4.4795 -4.4795 -2.7513 -2.7513 -2.7006 -2.7006 -2.6980 -2.6980 -0.4457 -0.4457 -0.4332 -0.4332 -0.1078 -0.1078 -0.0970 -0.0970 0.0022 0.0022 0.0125 0.0125 0.0263 0.0263 0.1131 0.1131 0.2339 0.2339 0.3019 0.3019 0.4061 0.4061 0.4253 0.4253 0.5186 0.5186 0.5416 0.5416 0.5470 0.5470 0.6084 0.6084 0.6529 0.6529 0.6746 0.6746 0.6768 0.6768 0.6920 0.6920 0.7532 0.7532 0.7607 0.7607 0.8122 0.8122 0.8272 0.8272 0.8625 0.8625 0.8666 0.8666 0.9343 0.9343 0.9635 0.9635 0.9835 0.9835 1.0901 1.0901 1.9670 1.9670 2.0558 2.0558 4.0653 4.0653 4.2082 4.2082 4.2214 4.2214 4.4763 4.4763 5.5552 5.5552 5.6820 5.6820 5.6898 5.6898 7.3122 7.3122 7.4454 7.4454 7.7454 7.7454 7.9825 7.9825 7.9955 7.9955 8.8450 8.8450 9.0607 9.0607 9.1744 9.1744 9.1866 9.1866 11.3327 11.3327 11.5838 11.5838 11.6481 11.6481 k = 0.0000 0.1071-0.0000 ( 6323 PWs) bands (ev): -4.4681 -4.4681 -2.7733 -2.7733 -2.7004 -2.7004 -2.6978 -2.6978 -0.4409 -0.4409 -0.4230 -0.4230 -0.1093 -0.1093 -0.0938 -0.0938 0.0018 0.0018 0.0163 0.0163 0.0283 0.0283 0.1147 0.1147 0.2335 0.2335 0.3020 0.3020 0.3969 0.3969 0.4215 0.4215 0.5167 0.5167 0.5444 0.5444 0.5469 0.5469 0.6022 0.6022 0.6508 0.6508 0.6732 0.6732 0.6760 0.6760 0.6910 0.6910 0.7541 0.7541 0.7633 0.7633 0.8080 0.8080 0.8285 0.8285 0.8607 0.8607 0.8666 0.8666 0.9296 0.9296 0.9644 0.9644 0.9900 0.9900 1.0871 1.0871 1.9724 1.9724 2.0971 2.0971 4.0033 4.0033 4.2038 4.2038 4.2164 4.2164 4.4914 4.4914 5.4946 5.4946 5.6732 5.6732 5.6803 5.6803 7.3272 7.3272 7.5411 7.5411 7.6840 7.6840 7.9383 7.9383 7.9489 7.9489 8.9573 8.9573 9.0828 9.0828 9.2435 9.2435 9.2549 9.2549 11.2776 11.2776 11.6299 11.6299 11.6963 11.6963 k = 0.0000 0.1250-0.0000 ( 6323 PWs) bands (ev): -4.4546 -4.4546 -2.7990 -2.7990 -2.7002 -2.7002 -2.6977 -2.6977 -0.4355 -0.4355 -0.4110 -0.4110 -0.1111 -0.1111 -0.0901 -0.0901 0.0013 0.0013 0.0204 0.0204 0.0309 0.0309 0.1166 0.1166 0.2331 0.2331 0.3018 0.3018 0.3875 0.3875 0.4172 0.4172 0.5144 0.5144 0.5414 0.5414 0.5521 0.5521 0.5957 0.5957 0.6483 0.6483 0.6718 0.6718 0.6750 0.6750 0.6900 0.6900 0.7551 0.7551 0.7653 0.7653 0.8036 0.8036 0.8296 0.8296 0.8586 0.8586 0.8666 0.8666 0.9235 0.9235 0.9663 0.9663 0.9977 0.9977 1.0844 1.0844 1.9788 1.9788 2.1440 2.1440 3.9345 3.9345 4.1982 4.1982 4.2103 4.2103 4.5093 4.5093 5.4278 5.4278 5.6646 5.6646 5.6708 5.6708 7.3135 7.3135 7.6495 7.6495 7.6565 7.6565 7.8888 7.8888 7.8970 7.8970 9.0715 9.0715 9.1083 9.1083 9.3224 9.3224 9.3329 9.3329 11.2145 11.2145 11.6850 11.6850 11.7518 11.7518 k = 0.0000 0.1429-0.0000 ( 6339 PWs) bands (ev): -4.4390 -4.4390 -2.8279 -2.8279 -2.6999 -2.6999 -2.6975 -2.6975 -0.4294 -0.4294 -0.3975 -0.3975 -0.1132 -0.1132 -0.0859 -0.0859 0.0007 0.0007 0.0247 0.0247 0.0342 0.0342 0.1188 0.1188 0.2325 0.2325 0.3013 0.3013 0.3781 0.3781 0.4121 0.4121 0.5113 0.5113 0.5381 0.5381 0.5569 0.5569 0.5893 0.5893 0.6454 0.6454 0.6704 0.6704 0.6740 0.6740 0.6889 0.6889 0.7562 0.7562 0.7663 0.7663 0.7991 0.7991 0.8306 0.8306 0.8562 0.8562 0.8666 0.8666 0.9166 0.9166 0.9684 0.9684 1.0066 1.0066 1.0825 1.0825 1.9863 1.9863 2.1959 2.1959 3.8606 3.8606 4.1913 4.1913 4.2028 4.2028 4.5299 4.5299 5.3559 5.3559 5.6569 5.6569 5.6620 5.6620 7.2643 7.2643 7.6687 7.6687 7.7692 7.7692 7.8349 7.8349 7.8409 7.8409 9.1371 9.1371 9.1872 9.1872 9.4102 9.4102 9.4198 9.4198 11.1457 11.1457 11.7479 11.7479 11.8138 11.8138 k = 0.0000 0.1607-0.0000 ( 6315 PWs) bands (ev): -4.4215 -4.4215 -2.8600 -2.8600 -2.6997 -2.6997 -2.6973 -2.6973 -0.4226 -0.4226 -0.3825 -0.3825 -0.1154 -0.1154 -0.0811 -0.0811 0.0000 0.0000 0.0289 0.0289 0.0387 0.0387 0.1215 0.1215 0.2320 0.2320 0.3003 0.3003 0.3692 0.3692 0.4066 0.4066 0.5070 0.5070 0.5352 0.5352 0.5615 0.5615 0.5831 0.5831 0.6423 0.6423 0.6689 0.6689 0.6729 0.6729 0.6879 0.6879 0.7574 0.7574 0.7662 0.7662 0.7950 0.7950 0.8314 0.8314 0.8536 0.8536 0.8667 0.8667 0.9093 0.9093 0.9700 0.9700 1.0166 1.0166 1.0818 1.0818 1.9949 1.9949 2.2520 2.2520 3.7827 3.7827 4.1829 4.1829 4.1938 4.1938 4.5534 4.5534 5.2802 5.2802 5.6506 5.6506 5.6546 5.6546 7.1912 7.1912 7.7085 7.7085 7.7773 7.7773 7.7808 7.7808 7.8992 7.8992 9.1688 9.1688 9.3039 9.3039 9.5062 9.5062 9.5150 9.5150 11.0730 11.0730 11.8173 11.8173 11.8818 11.8818 k = 0.0000 0.1786-0.0000 ( 6311 PWs) bands (ev): -4.4020 -4.4020 -2.8950 -2.8950 -2.6994 -2.6994 -2.6971 -2.6971 -0.4153 -0.4153 -0.3661 -0.3661 -0.1181 -0.1181 -0.0758 -0.0758 -0.0007 -0.0007 0.0329 0.0329 0.0443 0.0443 0.1245 0.1245 0.2313 0.2313 0.2985 0.2985 0.3611 0.3611 0.4004 0.4004 0.5012 0.5012 0.5331 0.5331 0.5658 0.5658 0.5770 0.5770 0.6390 0.6390 0.6675 0.6675 0.6717 0.6717 0.6868 0.6868 0.7586 0.7586 0.7646 0.7646 0.7913 0.7913 0.8318 0.8318 0.8506 0.8506 0.8668 0.8668 0.9018 0.9018 0.9705 0.9705 1.0277 1.0277 1.0830 1.0830 2.0047 2.0047 2.3120 2.3120 3.7022 3.7022 4.1731 4.1731 4.1832 4.1832 4.5797 4.5797 5.2013 5.2013 5.6463 5.6463 5.6492 5.6492 7.1062 7.1062 7.7165 7.7165 7.7179 7.7179 7.7631 7.7631 8.0378 8.0378 9.2033 9.2033 9.4214 9.4214 9.6098 9.6098 9.6179 9.6179 10.9980 10.9980 11.8924 11.8924 11.9551 11.9551 k = 0.0000 0.1964-0.0000 ( 6327 PWs) bands (ev): -4.3804 -4.3804 -2.9327 -2.9327 -2.6992 -2.6992 -2.6969 -2.6969 -0.4075 -0.4075 -0.3485 -0.3485 -0.1211 -0.1211 -0.0701 -0.0701 -0.0016 -0.0016 0.0369 0.0369 0.0507 0.0507 0.1278 0.1278 0.2304 0.2304 0.2956 0.2956 0.3542 0.3542 0.3938 0.3938 0.4939 0.4939 0.5318 0.5318 0.5695 0.5695 0.5710 0.5710 0.6356 0.6356 0.6660 0.6660 0.6705 0.6705 0.6858 0.6858 0.7597 0.7597 0.7617 0.7617 0.7881 0.7881 0.8319 0.8319 0.8472 0.8472 0.8668 0.8668 0.8943 0.8943 0.9694 0.9694 1.0396 1.0396 1.0862 1.0862 2.0156 2.0156 2.3752 2.3752 3.6199 3.6199 4.1617 4.1617 4.1711 4.1711 4.6088 4.6088 5.1202 5.1202 5.6446 5.6446 5.6463 5.6463 7.0157 7.0157 7.6526 7.6526 7.6531 7.6531 7.8256 7.8256 8.1842 8.1842 9.2398 9.2398 9.5393 9.5393 9.7204 9.7204 9.7279 9.7279 10.9220 10.9220 11.9724 11.9724 12.0330 12.0330 k = 0.0000 0.2143-0.0000 ( 6319 PWs) bands (ev): -4.3570 -4.3570 -2.9728 -2.9728 -2.6988 -2.6988 -2.6967 -2.6967 -0.3992 -0.3992 -0.3298 -0.3298 -0.1244 -0.1244 -0.0639 -0.0639 -0.0025 -0.0025 0.0411 0.0411 0.0579 0.0579 0.1317 0.1317 0.2294 0.2294 0.2913 0.2913 0.3489 0.3489 0.3867 0.3867 0.4855 0.4855 0.5311 0.5311 0.5653 0.5653 0.5728 0.5728 0.6323 0.6323 0.6646 0.6646 0.6694 0.6694 0.6848 0.6848 0.7577 0.7577 0.7609 0.7609 0.7850 0.7850 0.8317 0.8317 0.8436 0.8436 0.8669 0.8669 0.8870 0.8870 0.9666 0.9666 1.0524 1.0524 1.0916 1.0916 2.0277 2.0277 2.4412 2.4412 3.5369 3.5369 4.1487 4.1487 4.1574 4.1574 4.6407 4.6407 5.0373 5.0373 5.6458 5.6458 5.6464 5.6464 6.9227 6.9227 7.5856 7.5856 7.5878 7.5878 7.8926 7.8926 8.3376 8.3376 9.2780 9.2780 9.6571 9.6571 9.8375 9.8375 9.8445 9.8445 10.8465 10.8465 12.0566 12.0566 12.1149 12.1149 k = 0.0000 0.2321-0.0000 ( 6323 PWs) bands (ev): -4.3316 -4.3316 -3.0150 -3.0150 -2.6985 -2.6985 -2.6964 -2.6964 -0.3906 -0.3906 -0.3104 -0.3104 -0.1279 -0.1279 -0.0573 -0.0573 -0.0034 -0.0034 0.0457 0.0457 0.0656 0.0656 0.1359 0.1359 0.2282 0.2282 0.2856 0.2856 0.3454 0.3454 0.3792 0.3792 0.4763 0.4763 0.5305 0.5305 0.5598 0.5598 0.5757 0.5757 0.6291 0.6291 0.6630 0.6630 0.6683 0.6683 0.6839 0.6839 0.7528 0.7528 0.7621 0.7621 0.7819 0.7819 0.8313 0.8313 0.8396 0.8396 0.8671 0.8671 0.8799 0.8799 0.9620 0.9620 1.0658 1.0658 1.0989 1.0989 2.0411 2.0411 2.5097 2.5097 3.4538 3.4538 4.1344 4.1344 4.1423 4.1423 4.6755 4.6755 4.9531 4.9531 5.6497 5.6497 5.6503 5.6503 6.8288 6.8288 7.5172 7.5172 7.5210 7.5210 7.9623 7.9623 8.4971 8.4971 9.3167 9.3167 9.7744 9.7744 9.9606 9.9606 9.9672 9.9672 10.7729 10.7729 12.1444 12.1444 12.2002 12.2002 k = 0.0000 0.2500-0.0000 ( 6319 PWs) bands (ev): -4.3044 -4.3044 -3.0591 -3.0591 -2.6981 -2.6981 -2.6962 -2.6962 -0.3816 -0.3816 -0.2904 -0.2904 -0.1316 -0.1316 -0.0503 -0.0503 -0.0044 -0.0044 0.0507 0.0507 0.0738 0.0738 0.1405 0.1405 0.2269 0.2269 0.2787 0.2787 0.3434 0.3434 0.3713 0.3713 0.4666 0.4666 0.5293 0.5293 0.5553 0.5553 0.5781 0.5781 0.6264 0.6264 0.6614 0.6614 0.6672 0.6672 0.6831 0.6831 0.7474 0.7474 0.7633 0.7633 0.7785 0.7785 0.8305 0.8305 0.8353 0.8353 0.8673 0.8673 0.8733 0.8733 0.9561 0.9561 1.0795 1.0795 1.1079 1.1079 2.0559 2.0559 2.5802 2.5802 3.3713 3.3713 4.1188 4.1188 4.1259 4.1259 4.7131 4.7131 4.8680 4.8680 5.6564 5.6564 5.6582 5.6582 6.7346 6.7346 7.4480 7.4480 7.4532 7.4532 8.0338 8.0338 8.6623 8.6623 9.3550 9.3550 9.8906 9.8906 10.0894 10.0894 10.0957 10.0957 10.7028 10.7028 12.2349 12.2349 12.2881 12.2881 k = 0.0000 0.2679-0.0000 ( 6315 PWs) bands (ev): -4.2753 -4.2753 -3.1049 -3.1049 -2.6978 -2.6978 -2.6960 -2.6960 -0.3724 -0.3724 -0.2703 -0.2703 -0.1353 -0.1353 -0.0432 -0.0432 -0.0053 -0.0053 0.0563 0.0563 0.0823 0.0823 0.1454 0.1454 0.2255 0.2255 0.2711 0.2711 0.3427 0.3427 0.3631 0.3631 0.4568 0.4568 0.5263 0.5263 0.5524 0.5524 0.5800 0.5800 0.6241 0.6241 0.6597 0.6597 0.6662 0.6662 0.6824 0.6824 0.7416 0.7416 0.7645 0.7645 0.7745 0.7745 0.8296 0.8296 0.8307 0.8307 0.8670 0.8670 0.8676 0.8676 0.9491 0.9491 1.0935 1.0935 1.1180 1.1180 2.0721 2.0721 2.6526 2.6526 3.2899 3.2899 4.1021 4.1021 4.1084 4.1084 4.7536 4.7536 4.7824 4.7824 5.6667 5.6667 5.6696 5.6696 6.6407 6.6407 7.3786 7.3786 7.3850 7.3850 8.1063 8.1063 8.8325 8.8325 9.3913 9.3913 10.0049 10.0049 10.2231 10.2231 10.2294 10.2294 10.6379 10.6379 12.3276 12.3276 12.3780 12.3780 k = 0.0000 0.2857-0.0000 ( 6311 PWs) bands (ev): -4.2444 -4.2444 -3.1520 -3.1520 -2.6975 -2.6975 -2.6957 -2.6957 -0.3628 -0.3628 -0.2506 -0.2506 -0.1388 -0.1388 -0.0360 -0.0360 -0.0060 -0.0060 0.0625 0.0625 0.0911 0.0911 0.1505 0.1505 0.2238 0.2238 0.2632 0.2632 0.3431 0.3431 0.3546 0.3546 0.4469 0.4469 0.5212 0.5212 0.5517 0.5517 0.5814 0.5814 0.6225 0.6225 0.6579 0.6579 0.6651 0.6651 0.6818 0.6818 0.7355 0.7355 0.7658 0.7658 0.7699 0.7699 0.8259 0.8259 0.8284 0.8284 0.8613 0.8613 0.8679 0.8679 0.9416 0.9416 1.1075 1.1075 1.1289 1.1289 2.0898 2.0898 2.7265 2.7265 3.2101 3.2101 4.0847 4.0847 4.0903 4.0903 4.6964 4.6964 4.7969 4.7969 5.6804 5.6804 5.6844 5.6844 6.5473 6.5473 7.3094 7.3094 7.3169 7.3169 8.1796 8.1796 9.0073 9.0073 9.4237 9.4237 10.1166 10.1166 10.3611 10.3611 10.3680 10.3680 10.5809 10.5809 12.4217 12.4217 12.4691 12.4691 k = 0.0000 0.3036-0.0000 ( 6315 PWs) bands (ev): -4.2117 -4.2117 -3.2004 -3.2004 -2.6971 -2.6971 -2.6955 -2.6955 -0.3531 -0.3531 -0.2321 -0.2321 -0.1417 -0.1417 -0.0294 -0.0294 -0.0059 -0.0059 0.0692 0.0692 0.1002 0.1002 0.1558 0.1558 0.2219 0.2219 0.2555 0.2555 0.3442 0.3442 0.3458 0.3458 0.4370 0.4370 0.5141 0.5141 0.5525 0.5525 0.5824 0.5824 0.6216 0.6216 0.6561 0.6561 0.6641 0.6641 0.6812 0.6812 0.7290 0.7290 0.7646 0.7646 0.7670 0.7670 0.8210 0.8210 0.8271 0.8271 0.8559 0.8559 0.8683 0.8683 0.9339 0.9339 1.1213 1.1213 1.1400 1.1400 2.1091 2.1091 2.8015 2.8015 3.1323 3.1323 4.0668 4.0668 4.0717 4.0717 4.6103 4.6103 4.8431 4.8431 5.6975 5.6975 5.7025 5.7025 6.4548 6.4548 7.2408 7.2408 7.2492 7.2492 8.2533 8.2533 9.1862 9.1862 9.4498 9.4498 10.2245 10.2245 10.4942 10.4942 10.5111 10.5111 10.5427 10.5427 12.5164 12.5164 12.5607 12.5607 k = 0.0000 0.3214-0.0000 ( 6311 PWs) bands (ev): -4.1773 -4.1773 -3.2497 -3.2497 -2.6968 -2.6968 -2.6953 -2.6953 -0.3433 -0.3433 -0.2159 -0.2159 -0.1429 -0.1429 -0.0244 -0.0244 -0.0041 -0.0041 0.0766 0.0766 0.1095 0.1095 0.1608 0.1608 0.2199 0.2199 0.2486 0.2486 0.3368 0.3368 0.3459 0.3459 0.4272 0.4272 0.5055 0.5055 0.5544 0.5544 0.5829 0.5829 0.6215 0.6215 0.6543 0.6543 0.6631 0.6631 0.6808 0.6808 0.7222 0.7222 0.7585 0.7585 0.7684 0.7684 0.8162 0.8162 0.8258 0.8258 0.8510 0.8510 0.8688 0.8688 0.9262 0.9262 1.1347 1.1347 1.1512 1.1512 2.1300 2.1300 2.8772 2.8772 3.0573 3.0573 4.0488 4.0488 4.0530 4.0530 4.5241 4.5241 4.8920 4.8920 5.7175 5.7175 5.7234 5.7234 6.3632 6.3632 7.1736 7.1736 7.1826 7.1826 8.3273 8.3273 9.3688 9.3688 9.4672 9.4672 10.3274 10.3274 10.4910 10.4910 10.6570 10.6570 10.6583 10.6583 12.6107 12.6107 12.6518 12.6518 k = 0.0000 0.3393-0.0000 ( 6311 PWs) bands (ev): -4.1413 -4.1413 -3.2998 -3.2998 -2.6964 -2.6964 -2.6951 -2.6951 -0.3334 -0.3334 -0.2041 -0.2041 -0.1409 -0.1409 -0.0222 -0.0222 0.0007 0.0007 0.0844 0.0844 0.1190 0.1190 0.1653 0.1653 0.2175 0.2175 0.2433 0.2433 0.3275 0.3275 0.3482 0.3482 0.4175 0.4175 0.4958 0.4958 0.5570 0.5570 0.5831 0.5831 0.6221 0.6221 0.6526 0.6526 0.6621 0.6621 0.6805 0.6805 0.7152 0.7152 0.7516 0.7516 0.7697 0.7697 0.8115 0.8115 0.8244 0.8244 0.8464 0.8464 0.8694 0.8694 0.9189 0.9189 1.1476 1.1476 1.1621 1.1621 2.1527 2.1527 2.9479 2.9479 2.9907 2.9907 4.0311 4.0311 4.0347 4.0347 4.4382 4.4382 4.9437 4.9437 5.7402 5.7402 5.7467 5.7467 6.2727 6.2727 7.1081 7.1081 7.1176 7.1176 8.4015 8.4015 9.4730 9.4730 9.5552 9.5552 10.4237 10.4237 10.4701 10.4701 10.8070 10.8070 10.8094 10.8094 12.7034 12.7034 12.7410 12.7410 k = 0.0000 0.3571-0.0000 ( 6315 PWs) bands (ev): -4.1036 -4.1036 -3.3503 -3.3503 -2.6961 -2.6961 -2.6949 -2.6949 -0.3234 -0.3234 -0.1983 -0.1983 -0.1345 -0.1345 -0.0225 -0.0225 0.0080 0.0080 0.0924 0.0924 0.1287 0.1287 0.1688 0.1688 0.2149 0.2149 0.2403 0.2403 0.3180 0.3180 0.3509 0.3509 0.4078 0.4078 0.4852 0.4852 0.5600 0.5600 0.5831 0.5831 0.6234 0.6234 0.6509 0.6509 0.6610 0.6610 0.6803 0.6803 0.7080 0.7080 0.7441 0.7441 0.7711 0.7711 0.8071 0.8071 0.8231 0.8231 0.8421 0.8421 0.8701 0.8701 0.9121 0.9121 1.1598 1.1598 1.1724 1.1724 2.1772 2.1772 2.9095 2.9095 3.0367 3.0367 4.0141 4.0141 4.0171 4.0171 4.3524 4.3524 4.9981 4.9981 5.7650 5.7650 5.7720 5.7720 6.1834 6.1834 7.0451 7.0451 7.0548 7.0548 8.4757 8.4757 9.4661 9.4661 9.7445 9.7445 10.4636 10.4636 10.5118 10.5118 10.9613 10.9613 10.9638 10.9638 12.7928 12.7928 12.8266 12.8266 k = 0.0000 0.3750-0.0000 ( 6319 PWs) bands (ev): -4.0645 -4.0645 -3.4013 -3.4013 -2.6959 -2.6959 -2.6948 -2.6948 -0.3134 -0.3134 -0.1979 -0.1979 -0.1242 -0.1242 -0.0241 -0.0241 0.0165 0.0165 0.0998 0.0998 0.1383 0.1383 0.1714 0.1714 0.2120 0.2120 0.2405 0.2405 0.3082 0.3082 0.3541 0.3541 0.3981 0.3981 0.4738 0.4738 0.5631 0.5631 0.5831 0.5831 0.6253 0.6253 0.6493 0.6493 0.6598 0.6598 0.6802 0.6802 0.7007 0.7007 0.7361 0.7361 0.7726 0.7726 0.8031 0.8031 0.8219 0.8219 0.8381 0.8381 0.8708 0.8708 0.9060 0.9060 1.1711 1.1711 1.1820 1.1820 2.2038 2.2038 2.8430 2.8430 3.1143 3.1143 3.9981 3.9981 4.0006 4.0006 4.2670 4.2670 5.0552 5.0552 5.7913 5.7913 5.7985 5.7985 6.0955 6.0955 6.9854 6.9854 6.9950 6.9950 8.5500 8.5500 9.4458 9.4458 9.9368 9.9368 10.4721 10.4721 10.5896 10.5896 11.1188 11.1188 11.1212 11.1212 12.8168 12.8168 12.8763 12.8763 k = 0.0000 0.3929-0.0000 ( 6311 PWs) bands (ev): -4.0238 -4.0238 -3.4523 -3.4523 -2.6956 -2.6956 -2.6947 -2.6947 -0.3034 -0.3034 -0.2012 -0.2012 -0.1121 -0.1121 -0.0265 -0.0265 0.0258 0.0258 0.1059 0.1059 0.1475 0.1475 0.1739 0.1739 0.2088 0.2088 0.2443 0.2443 0.2983 0.2983 0.3578 0.3578 0.3882 0.3882 0.4619 0.4619 0.5663 0.5663 0.5831 0.5831 0.6277 0.6277 0.6481 0.6481 0.6584 0.6584 0.6804 0.6804 0.6934 0.6934 0.7278 0.7278 0.7741 0.7741 0.7995 0.7995 0.8209 0.8209 0.8345 0.8345 0.8717 0.8717 0.9006 0.9006 1.1814 1.1814 1.1906 1.1906 2.2324 2.2324 2.7785 2.7785 3.1935 3.1935 3.9834 3.9834 3.9855 3.9855 4.1819 4.1819 5.1149 5.1149 5.8181 5.8181 5.8254 5.8254 6.0089 6.0089 6.9297 6.9297 6.9390 6.9390 8.6242 8.6242 9.4131 9.4131 10.1317 10.1317 10.4941 10.4941 10.6552 10.6552 11.2788 11.2788 11.2810 11.2810 12.6061 12.6061 12.9485 12.9485 k = 0.0000 0.4107-0.0000 ( 6323 PWs) bands (ev): -3.9817 -3.9817 -3.5034 -3.5034 -2.6953 -2.6953 -2.6946 -2.6946 -0.2935 -0.2935 -0.2066 -0.2066 -0.1000 -0.1000 -0.0296 -0.0296 0.0355 0.0355 0.1095 0.1095 0.1552 0.1552 0.1785 0.1785 0.2052 0.2052 0.2513 0.2513 0.2881 0.2881 0.3620 0.3620 0.3779 0.3779 0.4496 0.4496 0.5695 0.5695 0.5832 0.5832 0.6304 0.6304 0.6472 0.6472 0.6567 0.6567 0.6808 0.6808 0.6862 0.6862 0.7196 0.7196 0.7756 0.7756 0.7963 0.7963 0.8201 0.8201 0.8311 0.8311 0.8727 0.8727 0.8958 0.8958 1.1904 1.1904 1.1981 1.1981 2.2632 2.2632 2.7169 2.7169 3.2733 3.2733 3.9705 3.9705 3.9721 3.9721 4.0972 4.0972 5.1772 5.1772 5.8445 5.8445 5.8516 5.8516 5.9240 5.9240 6.8792 6.8792 6.8879 6.8879 8.6982 8.6982 9.3697 9.3697 10.3291 10.3291 10.5268 10.5268 10.7066 10.7066 11.4405 11.4405 11.4422 11.4422 12.3951 12.3951 12.9964 12.9964 k = 0.0000 0.4286-0.0000 ( 6311 PWs) bands (ev): -3.9383 -3.9383 -3.5543 -3.5543 -2.6951 -2.6951 -2.6945 -2.6945 -0.2836 -0.2836 -0.2132 -0.2132 -0.0886 -0.0886 -0.0332 -0.0332 0.0454 0.0454 0.1098 0.1098 0.1610 0.1610 0.1867 0.1867 0.2014 0.2014 0.2610 0.2610 0.2777 0.2777 0.3667 0.3667 0.3672 0.3672 0.4373 0.4373 0.5726 0.5726 0.5833 0.5833 0.6334 0.6334 0.6471 0.6471 0.6548 0.6548 0.6794 0.6794 0.6814 0.6814 0.7118 0.7118 0.7772 0.7772 0.7934 0.7934 0.8195 0.8195 0.8282 0.8282 0.8739 0.8739 0.8918 0.8918 1.1982 1.1982 1.2043 1.2043 2.2963 2.2963 2.6584 2.6584 3.3538 3.3538 3.9595 3.9595 3.9608 3.9608 4.0129 4.0129 5.2420 5.2420 5.8397 5.8397 5.8703 5.8703 5.8759 5.8759 6.8350 6.8350 6.8427 6.8427 8.7720 8.7720 9.3179 9.3179 10.5287 10.5287 10.5669 10.5669 10.7424 10.7424 11.6025 11.6025 11.6037 11.6037 12.1844 12.1844 12.9853 12.9853 k = 0.0000 0.4464-0.0000 ( 6335 PWs) bands (ev): -3.8936 -3.8936 -3.6048 -3.6048 -2.6949 -2.6949 -2.6945 -2.6945 -0.2739 -0.2739 -0.2206 -0.2206 -0.0782 -0.0782 -0.0373 -0.0373 0.0553 0.0553 0.1066 0.1066 0.1661 0.1661 0.1971 0.1971 0.1975 0.1975 0.2670 0.2670 0.2728 0.2728 0.3555 0.3555 0.3721 0.3721 0.4251 0.4251 0.5754 0.5754 0.5833 0.5833 0.6362 0.6362 0.6479 0.6479 0.6524 0.6524 0.6730 0.6730 0.6824 0.6824 0.7047 0.7047 0.7788 0.7788 0.7907 0.7907 0.8192 0.8192 0.8256 0.8256 0.8752 0.8752 0.8883 0.8883 1.2045 1.2045 1.2090 1.2090 2.3319 2.3319 2.6029 2.6029 3.4347 3.4347 3.9290 3.9290 3.9508 3.9508 3.9517 3.9517 5.3092 5.3092 5.7585 5.7585 5.8918 5.8918 5.8969 5.8969 6.7987 6.7987 6.8050 6.8050 8.8454 8.8454 9.2596 9.2596 10.6106 10.6106 10.7304 10.7304 10.7618 10.7618 11.7620 11.7620 11.7626 11.7626 11.9753 11.9753 12.8902 12.8902 k = 0.0000 0.4643-0.0000 ( 6342 PWs) bands (ev): -3.8478 -3.8478 -3.6549 -3.6549 -2.6948 -2.6948 -2.6945 -2.6945 -0.2644 -0.2644 -0.2286 -0.2286 -0.0690 -0.0690 -0.0421 -0.0421 0.0652 0.0652 0.1007 0.1007 0.1714 0.1714 0.1924 0.1924 0.2093 0.2093 0.2561 0.2561 0.2862 0.2862 0.3429 0.3429 0.3784 0.3784 0.4136 0.4136 0.5779 0.5779 0.5831 0.5831 0.6389 0.6389 0.6497 0.6497 0.6500 0.6500 0.6673 0.6673 0.6840 0.6840 0.6984 0.6984 0.7805 0.7805 0.7883 0.7883 0.8193 0.8193 0.8235 0.8235 0.8766 0.8766 0.8852 0.8852 1.2093 1.2093 1.2123 1.2123 2.3701 2.3701 2.5504 2.5504 3.5160 3.5160 3.8456 3.8456 3.9444 3.9444 3.9450 3.9450 5.3788 5.3788 5.6786 5.6786 5.9094 5.9094 5.9130 5.9130 6.7716 6.7716 6.7761 6.7761 8.9183 8.9183 9.1965 9.1965 10.6546 10.6546 10.7651 10.7651 10.9339 10.9339 11.7599 11.7599 11.9151 11.9151 11.9196 11.9196 12.7566 12.7566 k = 0.0000 0.4821-0.0000 ( 6342 PWs) bands (ev): -3.8009 -3.8009 -3.7043 -3.7043 -2.6947 -2.6947 -2.6945 -2.6945 -0.2550 -0.2550 -0.2371 -0.2371 -0.0609 -0.0609 -0.0475 -0.0475 0.0750 0.0750 0.0931 0.0931 0.1768 0.1768 0.1875 0.1875 0.2214 0.2214 0.2448 0.2448 0.3005 0.3005 0.3294 0.3294 0.3855 0.3855 0.4031 0.4031 0.5799 0.5799 0.5825 0.5825 0.6414 0.6414 0.6468 0.6468 0.6532 0.6532 0.6620 0.6620 0.6862 0.6862 0.6932 0.6932 0.7823 0.7823 0.7862 0.7862 0.8197 0.8197 0.8218 0.8218 0.8784 0.8784 0.8826 0.8826 1.2125 1.2125 1.2140 1.2140 2.4109 2.4109 2.5010 2.5010 3.5978 3.5978 3.7626 3.7626 3.9406 3.9406 3.9409 3.9409 5.4506 5.4506 5.6006 5.6006 5.9210 5.9210 5.9230 5.9230 6.7552 6.7552 6.7576 6.7576 8.9902 8.9902 9.1300 9.1300 10.6953 10.6953 10.7536 10.7536 11.1390 11.1390 11.5531 11.5531 12.0441 12.0441 12.0458 12.0458 12.6325 12.6325 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -3.7531 -3.7531 -3.7531 -3.7531 -2.6946 -2.6946 -2.6946 -2.6946 -0.2460 -0.2460 -0.2460 -0.2460 -0.0538 -0.0538 -0.0538 -0.0538 0.0844 0.0844 0.0844 0.0844 0.1822 0.1822 0.1822 0.1822 0.2332 0.2332 0.2332 0.2332 0.3151 0.3151 0.3151 0.3151 0.3937 0.3937 0.3937 0.3937 0.5814 0.5814 0.5814 0.5814 0.6440 0.6440 0.6440 0.6440 0.6573 0.6573 0.6573 0.6573 0.6891 0.6891 0.6891 0.6891 0.7841 0.7841 0.7841 0.7841 0.8205 0.8205 0.8205 0.8205 0.8803 0.8803 0.8803 0.8803 1.2140 1.2140 1.2140 1.2140 2.4545 2.4545 2.4545 2.4545 3.6800 3.6800 3.6800 3.6800 3.9394 3.9394 3.9394 3.9394 5.5245 5.5245 5.5245 5.5245 5.9257 5.9257 5.9257 5.9257 6.7505 6.7505 6.7505 6.7505 9.0610 9.0610 9.0610 9.0610 10.7293 10.7293 10.7293 10.7293 11.3455 11.3455 11.3455 11.3455 12.1032 12.1032 12.1032 12.1032 12.5753 12.5753 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -3.7531 -3.7531 -3.7531 -3.7531 -2.6946 -2.6946 -2.6946 -2.6946 -0.2460 -0.2460 -0.2460 -0.2460 -0.0538 -0.0538 -0.0538 -0.0538 0.0844 0.0844 0.0844 0.0844 0.1822 0.1822 0.1822 0.1822 0.2332 0.2332 0.2332 0.2332 0.3151 0.3151 0.3151 0.3151 0.3937 0.3937 0.3937 0.3937 0.5814 0.5814 0.5814 0.5814 0.6440 0.6440 0.6440 0.6440 0.6573 0.6573 0.6573 0.6573 0.6891 0.6891 0.6891 0.6891 0.7841 0.7841 0.7841 0.7841 0.8205 0.8205 0.8205 0.8205 0.8803 0.8803 0.8803 0.8803 1.2140 1.2140 1.2140 1.2140 2.4545 2.4545 2.4545 2.4545 3.6800 3.6800 3.6800 3.6800 3.9394 3.9394 3.9394 3.9394 5.5245 5.5245 5.5245 5.5245 5.9257 5.9257 5.9257 5.9257 6.7505 6.7505 6.7505 6.7505 9.0610 9.0610 9.0610 9.0610 10.7293 10.7293 10.7293 10.7293 11.3455 11.3455 11.3455 11.3455 12.1032 12.1032 12.1032 12.1032 12.5753 12.5753 k = 0.0179 0.5000-0.0000 ( 6350 PWs) bands (ev): -3.7523 -3.7523 -3.7523 -3.7523 -2.6954 -2.6954 -2.6953 -2.6953 -0.2457 -0.2457 -0.2453 -0.2453 -0.0542 -0.0542 -0.0529 -0.0529 0.0842 0.0842 0.0847 0.0847 0.1810 0.1810 0.1835 0.1835 0.2311 0.2311 0.2355 0.2355 0.3149 0.3149 0.3155 0.3155 0.3936 0.3936 0.3939 0.3939 0.5805 0.5805 0.5821 0.5821 0.6434 0.6434 0.6442 0.6442 0.6563 0.6563 0.6584 0.6584 0.6888 0.6888 0.6894 0.6894 0.7829 0.7829 0.7851 0.7851 0.8203 0.8203 0.8205 0.8205 0.8801 0.8801 0.8802 0.8802 1.2103 1.2103 1.2160 1.2160 2.4524 2.4524 2.4558 2.4558 3.6645 3.6645 3.6649 3.6649 3.9594 3.9594 3.9596 3.9596 5.5107 5.5107 5.5122 5.5122 5.9347 5.9347 5.9369 5.9369 6.7478 6.7478 6.7484 6.7484 9.0679 9.0679 9.0684 9.0684 10.7305 10.7305 10.7312 10.7312 11.3330 11.3330 11.3404 11.3404 12.1068 12.1068 12.1103 12.1103 12.5743 12.5743 k = 0.0357 0.5000-0.0000 ( 6346 PWs) bands (ev): -3.7501 -3.7501 -3.7501 -3.7501 -2.6979 -2.6979 -2.6977 -2.6977 -0.2446 -0.2446 -0.2437 -0.2437 -0.0541 -0.0541 -0.0516 -0.0516 0.0842 0.0842 0.0851 0.0851 0.1797 0.1797 0.1846 0.1846 0.2291 0.2291 0.2380 0.2380 0.3151 0.3151 0.3161 0.3161 0.3936 0.3936 0.3941 0.3941 0.5794 0.5794 0.5826 0.5826 0.6424 0.6424 0.6438 0.6438 0.6553 0.6553 0.6594 0.6594 0.6884 0.6884 0.6895 0.6895 0.7812 0.7812 0.7858 0.7858 0.8195 0.8195 0.8202 0.8202 0.8796 0.8796 0.8798 0.8798 1.2048 1.2048 1.2161 1.2161 2.4498 2.4498 2.4563 2.4563 3.6284 3.6284 3.6292 3.6292 4.0095 4.0095 4.0100 4.0100 5.4748 5.4748 5.4772 5.4772 5.9601 5.9601 5.9640 5.9640 6.7410 6.7410 6.7422 6.7422 9.0890 9.0890 9.0901 9.0901 10.7343 10.7343 10.7357 10.7357 11.3047 11.3047 11.3187 11.3187 12.1205 12.1205 12.1269 12.1269 12.5729 12.5729 k = 0.0536 0.5000-0.0000 ( 6350 PWs) bands (ev): -3.7464 -3.7464 -3.7464 -3.7464 -2.7019 -2.7019 -2.7016 -2.7016 -0.2427 -0.2427 -0.2413 -0.2413 -0.0536 -0.0536 -0.0498 -0.0498 0.0843 0.0843 0.0856 0.0856 0.1785 0.1785 0.1856 0.1856 0.2273 0.2273 0.2406 0.2406 0.3155 0.3155 0.3168 0.3168 0.3936 0.3936 0.3944 0.3944 0.5781 0.5781 0.5828 0.5828 0.6411 0.6411 0.6430 0.6430 0.6544 0.6544 0.6604 0.6604 0.6878 0.6878 0.6895 0.6895 0.7792 0.7792 0.7862 0.7862 0.8184 0.8184 0.8195 0.8195 0.8788 0.8788 0.8790 0.8790 1.1975 1.1975 1.2144 1.2144 2.4466 2.4466 2.4562 2.4562 3.5854 3.5854 3.5865 3.5865 4.0758 4.0758 4.0767 4.0767 5.4243 5.4243 5.4273 5.4273 5.9937 5.9937 5.9987 5.9987 6.7315 6.7315 6.7331 6.7331 9.1236 9.1236 9.1252 9.1252 10.7399 10.7399 10.7419 10.7419 11.2646 11.2646 11.2842 11.2842 12.1420 12.1420 12.1502 12.1502 12.5691 12.5691 k = 0.0714 0.5000-0.0000 ( 6340 PWs) bands (ev): -3.7413 -3.7413 -3.7412 -3.7412 -2.7076 -2.7076 -2.7072 -2.7072 -0.2399 -0.2399 -0.2380 -0.2380 -0.0526 -0.0526 -0.0476 -0.0476 0.0845 0.0845 0.0862 0.0862 0.1773 0.1773 0.1864 0.1864 0.2258 0.2258 0.2433 0.2433 0.3162 0.3162 0.3177 0.3177 0.3936 0.3936 0.3948 0.3948 0.5765 0.5765 0.5828 0.5828 0.6395 0.6395 0.6416 0.6416 0.6535 0.6535 0.6612 0.6612 0.6872 0.6872 0.6894 0.6894 0.7769 0.7769 0.7864 0.7864 0.8168 0.8168 0.8187 0.8187 0.8777 0.8777 0.8780 0.8780 1.1884 1.1884 1.2106 1.2106 2.4432 2.4432 2.4556 2.4556 3.5422 3.5422 3.5438 3.5438 4.1508 4.1508 4.1520 4.1520 5.3656 5.3656 5.3689 5.3689 6.0280 6.0280 6.0335 6.0335 6.7217 6.7217 6.7234 6.7234 9.1708 9.1708 9.1730 9.1730 10.7450 10.7450 10.7474 10.7474 11.2183 11.2183 11.2421 11.2421 12.1682 12.1682 12.1775 12.1775 12.5590 12.5590 k = 0.0893 0.5000-0.0000 ( 6322 PWs) bands (ev): -3.7346 -3.7346 -3.7346 -3.7346 -2.7148 -2.7148 -2.7143 -2.7143 -0.2361 -0.2361 -0.2338 -0.2338 -0.0511 -0.0511 -0.0450 -0.0450 0.0850 0.0850 0.0870 0.0870 0.1762 0.1762 0.1870 0.1870 0.2247 0.2247 0.2463 0.2463 0.3172 0.3172 0.3186 0.3186 0.3937 0.3937 0.3953 0.3953 0.5746 0.5746 0.5826 0.5826 0.6377 0.6377 0.6399 0.6399 0.6527 0.6527 0.6620 0.6620 0.6866 0.6866 0.6891 0.6891 0.7742 0.7742 0.7864 0.7864 0.8148 0.8148 0.8178 0.8178 0.8764 0.8764 0.8767 0.8767 1.1773 1.1773 1.2046 1.2046 2.4399 2.4399 2.4549 2.4549 3.5020 3.5020 3.5041 3.5041 4.2303 4.2303 4.2321 4.2321 5.3031 5.3031 5.3066 5.3066 6.0573 6.0573 6.0627 6.0627 6.7147 6.7147 6.7162 6.7162 9.2295 9.2295 9.2322 9.2322 10.7465 10.7465 10.7487 10.7487 11.1724 11.1724 11.1989 11.1989 12.1966 12.1966 12.2065 12.2065 12.5388 12.5388 k = 0.1071 0.5000-0.0000 ( 6314 PWs) bands (ev): -3.7266 -3.7266 -3.7266 -3.7266 -2.7235 -2.7235 -2.7229 -2.7229 -0.2317 -0.2317 -0.2289 -0.2289 -0.0493 -0.0493 -0.0420 -0.0420 0.0855 0.0855 0.0879 0.0879 0.1751 0.1751 0.1873 0.1873 0.2240 0.2240 0.2493 0.2493 0.3186 0.3186 0.3195 0.3195 0.3939 0.3939 0.3960 0.3960 0.5725 0.5725 0.5821 0.5821 0.6358 0.6358 0.6378 0.6378 0.6517 0.6517 0.6626 0.6626 0.6859 0.6859 0.6887 0.6887 0.7712 0.7712 0.7861 0.7861 0.8124 0.8124 0.8167 0.8167 0.8747 0.8747 0.8751 0.8751 1.1642 1.1642 1.1964 1.1964 2.4372 2.4372 2.4543 2.4543 3.4659 3.4659 3.4685 3.4685 4.3116 4.3116 4.3140 4.3140 5.2401 5.2401 5.2439 5.2439 6.0770 6.0770 6.0819 6.0819 6.7140 6.7140 6.7148 6.7148 9.2983 9.2983 9.3014 9.3014 10.7392 10.7392 10.7399 10.7399 11.1348 11.1348 11.1622 11.1622 12.2248 12.2248 12.2353 12.2353 12.5067 12.5067 k = 0.1250 0.5000-0.0000 ( 6314 PWs) bands (ev): -3.7171 -3.7171 -3.7171 -3.7171 -2.7337 -2.7337 -2.7331 -2.7331 -0.2265 -0.2265 -0.2232 -0.2232 -0.0470 -0.0470 -0.0386 -0.0386 0.0863 0.0863 0.0889 0.0889 0.1741 0.1741 0.1872 0.1872 0.2238 0.2238 0.2525 0.2525 0.3202 0.3202 0.3203 0.3203 0.3940 0.3940 0.3967 0.3967 0.5700 0.5700 0.5813 0.5813 0.6336 0.6336 0.6353 0.6353 0.6506 0.6506 0.6630 0.6630 0.6851 0.6851 0.6881 0.6881 0.7678 0.7678 0.7856 0.7856 0.8096 0.8096 0.8155 0.8155 0.8729 0.8729 0.8733 0.8733 1.1490 1.1490 1.1857 1.1857 2.4355 2.4355 2.4542 2.4542 3.4344 3.4344 3.4378 3.4378 4.3915 4.3915 4.3946 4.3946 5.1800 5.1800 5.1842 5.1842 6.0841 6.0841 6.0881 6.0881 6.7219 6.7219 6.7222 6.7222 9.3757 9.3757 9.3793 9.3793 10.7151 10.7151 10.7178 10.7178 11.1131 11.1131 11.1391 11.1391 12.2499 12.2499 12.2618 12.2618 12.4649 12.4649 k = 0.1429 0.5000-0.0000 ( 6310 PWs) bands (ev): -3.7063 -3.7063 -3.7063 -3.7063 -2.7454 -2.7454 -2.7447 -2.7447 -0.2205 -0.2205 -0.2168 -0.2168 -0.0443 -0.0443 -0.0348 -0.0348 0.0872 0.0872 0.0901 0.0901 0.1733 0.1733 0.1867 0.1867 0.2242 0.2242 0.2559 0.2559 0.3211 0.3211 0.3222 0.3222 0.3942 0.3942 0.3976 0.3976 0.5674 0.5674 0.5803 0.5803 0.6314 0.6314 0.6327 0.6327 0.6494 0.6494 0.6632 0.6632 0.6843 0.6843 0.6874 0.6874 0.7643 0.7643 0.7848 0.7848 0.8064 0.8064 0.8143 0.8143 0.8708 0.8708 0.8712 0.8712 1.1317 1.1317 1.1725 1.1725 2.4352 2.4352 2.4551 2.4551 3.4076 3.4076 3.4118 3.4118 4.4656 4.4656 4.4696 4.4696 5.1275 5.1275 5.1323 5.1323 6.0776 6.0776 6.0804 6.0804 6.7391 6.7391 6.7407 6.7407 9.4605 9.4605 9.4642 9.4642 10.6720 10.6720 10.6795 10.6795 11.1105 11.1105 11.1335 11.1335 12.2656 12.2656 12.2811 12.2811 12.4226 12.4226 k = 0.1607 0.5000-0.0000 ( 6318 PWs) bands (ev): -3.6942 -3.6942 -3.6941 -3.6941 -2.7585 -2.7585 -2.7578 -2.7578 -0.2139 -0.2139 -0.2098 -0.2098 -0.0413 -0.0413 -0.0308 -0.0308 0.0883 0.0883 0.0914 0.0914 0.1726 0.1726 0.1860 0.1860 0.2252 0.2252 0.2594 0.2594 0.3217 0.3217 0.3244 0.3244 0.3944 0.3944 0.3987 0.3987 0.5645 0.5645 0.5789 0.5789 0.6291 0.6291 0.6298 0.6298 0.6480 0.6480 0.6633 0.6633 0.6835 0.6835 0.6867 0.6867 0.7606 0.7606 0.7837 0.7837 0.8030 0.8030 0.8129 0.8129 0.8685 0.8685 0.8688 0.8688 1.1122 1.1122 1.1568 1.1568 2.4368 2.4368 2.4573 2.4573 3.3854 3.3854 3.3906 3.3906 4.5268 4.5268 4.5316 4.5316 5.0897 5.0897 5.0953 5.0953 6.0581 6.0581 6.0597 6.0597 6.7659 6.7659 6.7688 6.7688 9.5510 9.5510 9.5546 9.5546 10.6137 10.6137 10.6265 10.6265 11.1244 11.1244 11.1441 11.1441 12.2565 12.2565 12.2775 12.2775 12.3977 12.3977 k = 0.1786 0.5000-0.0000 ( 6310 PWs) bands (ev): -3.6807 -3.6807 -3.6806 -3.6806 -2.7730 -2.7730 -2.7722 -2.7722 -0.2067 -0.2067 -0.2021 -0.2021 -0.0379 -0.0379 -0.0266 -0.0266 0.0897 0.0897 0.0930 0.0930 0.1720 0.1720 0.1849 0.1849 0.2267 0.2267 0.2631 0.2631 0.3222 0.3222 0.3268 0.3268 0.3947 0.3947 0.4000 0.4000 0.5613 0.5613 0.5771 0.5771 0.6267 0.6267 0.6268 0.6268 0.6465 0.6465 0.6632 0.6632 0.6827 0.6827 0.6858 0.6858 0.7569 0.7569 0.7823 0.7823 0.7994 0.7994 0.8115 0.8115 0.8661 0.8661 0.8664 0.8664 1.0908 1.0908 1.1386 1.1386 2.4406 2.4406 2.4613 2.4613 3.3676 3.3676 3.3739 3.3739 4.5651 4.5651 4.5703 4.5703 5.0770 5.0770 5.0830 5.0830 6.0280 6.0280 6.0285 6.0285 6.8007 6.8007 6.8049 6.8049 9.6454 9.6454 9.6485 9.6485 10.5459 10.5459 10.5638 10.5638 11.1494 11.1494 11.1662 11.1662 12.2160 12.2160 12.2389 12.2389 12.4032 12.4032 k = 0.1964 0.5000-0.0000 ( 6308 PWs) bands (ev): -3.6660 -3.6660 -3.6659 -3.6659 -2.7888 -2.7888 -2.7880 -2.7880 -0.1989 -0.1989 -0.1940 -0.1940 -0.0342 -0.0342 -0.0223 -0.0223 0.0913 0.0913 0.0949 0.0949 0.1716 0.1716 0.1838 0.1838 0.2288 0.2288 0.2669 0.2669 0.3225 0.3225 0.3293 0.3293 0.3951 0.3951 0.4014 0.4014 0.5579 0.5579 0.5750 0.5750 0.6237 0.6237 0.6243 0.6243 0.6449 0.6449 0.6629 0.6629 0.6818 0.6818 0.6849 0.6849 0.7530 0.7530 0.7804 0.7804 0.7959 0.7959 0.8098 0.8098 0.8636 0.8636 0.8637 0.8637 1.0675 1.0675 1.1181 1.1181 2.4470 2.4470 2.4673 2.4673 3.3537 3.3537 3.3613 3.3613 4.5726 4.5726 4.5773 4.5773 5.0977 5.0977 5.1033 5.1033 5.9893 5.9893 5.9897 5.9897 6.8413 6.8413 6.8466 6.8466 9.7413 9.7413 9.7430 9.7430 10.4742 10.4742 10.4971 10.4971 11.1799 11.1799 11.1946 11.1946 12.1620 12.1620 12.1853 12.1853 12.4266 12.4266 k = 0.2143 0.5000-0.0000 ( 6304 PWs) bands (ev): -3.6501 -3.6501 -3.6500 -3.6500 -2.8059 -2.8059 -2.8050 -2.8050 -0.1907 -0.1907 -0.1854 -0.1854 -0.0302 -0.0302 -0.0179 -0.0179 0.0932 0.0932 0.0972 0.0972 0.1714 0.1714 0.1825 0.1825 0.2313 0.2313 0.2708 0.2708 0.3226 0.3226 0.3320 0.3320 0.3955 0.3955 0.4030 0.4030 0.5543 0.5543 0.5724 0.5724 0.6205 0.6205 0.6219 0.6219 0.6432 0.6432 0.6624 0.6624 0.6810 0.6810 0.6840 0.6840 0.7492 0.7492 0.7777 0.7777 0.7926 0.7926 0.8080 0.8080 0.8609 0.8609 0.8611 0.8611 1.0426 1.0426 1.0957 1.0957 2.4561 2.4561 2.4755 2.4755 3.3434 3.3434 3.3524 3.3524 4.5508 4.5508 4.5544 4.5544 5.1497 5.1497 5.1544 5.1544 5.9448 5.9448 5.9458 5.9458 6.8858 6.8858 6.8920 6.8920 9.8338 9.8338 9.8349 9.8349 10.4042 10.4042 10.4331 10.4331 11.2114 11.2114 11.2243 11.2243 12.1087 12.1087 12.1327 12.1327 12.4562 12.4562 k = 0.2321 0.5000-0.0000 ( 6296 PWs) bands (ev): -3.6330 -3.6330 -3.6330 -3.6330 -2.8241 -2.8241 -2.8232 -2.8232 -0.1821 -0.1821 -0.1765 -0.1765 -0.0261 -0.0261 -0.0136 -0.0136 0.0956 0.0956 0.1002 0.1002 0.1714 0.1714 0.1814 0.1814 0.2343 0.2343 0.2748 0.2748 0.3225 0.3225 0.3348 0.3348 0.3961 0.3961 0.4049 0.4049 0.5506 0.5506 0.5694 0.5694 0.6171 0.6171 0.6194 0.6194 0.6416 0.6416 0.6617 0.6617 0.6802 0.6802 0.6831 0.6831 0.7455 0.7455 0.7741 0.7741 0.7898 0.7898 0.8060 0.8060 0.8580 0.8580 0.8584 0.8584 1.0164 1.0164 1.0715 1.0715 2.4680 2.4680 2.4861 2.4861 3.3363 3.3363 3.3468 3.3468 4.5091 4.5091 4.5113 4.5113 5.2230 5.2230 5.2269 5.2269 5.8970 5.8970 5.8984 5.8984 6.9326 6.9326 6.9393 6.9393 9.9120 9.9120 9.9179 9.9179 10.3448 10.3448 10.3811 10.3811 11.2395 11.2395 11.2507 11.2507 12.0641 12.0641 12.0888 12.0888 12.4886 12.4886 k = 0.2500 0.5000-0.0000 ( 6304 PWs) bands (ev): -3.6149 -3.6149 -3.6149 -3.6149 -2.8435 -2.8435 -2.8426 -2.8426 -0.1733 -0.1733 -0.1674 -0.1674 -0.0220 -0.0220 -0.0095 -0.0095 0.0983 0.0983 0.1038 0.1038 0.1715 0.1715 0.1804 0.1804 0.2375 0.2375 0.2787 0.2787 0.3223 0.3223 0.3375 0.3375 0.3969 0.3969 0.4068 0.4068 0.5467 0.5467 0.5657 0.5657 0.6137 0.6137 0.6169 0.6169 0.6400 0.6400 0.6609 0.6609 0.6793 0.6793 0.6822 0.6822 0.7418 0.7418 0.7696 0.7696 0.7873 0.7873 0.8035 0.8035 0.8548 0.8548 0.8558 0.8558 0.9896 0.9896 1.0460 1.0460 2.4827 2.4827 2.4992 2.4992 3.3319 3.3319 3.3440 3.3440 4.4560 4.4560 4.4569 4.4569 5.3084 5.3084 5.3115 5.3115 5.8478 5.8478 5.8494 5.8494 6.9802 6.9802 6.9874 6.9874 9.9611 9.9611 9.9726 9.9726 10.3136 10.3136 10.3577 10.3577 11.2604 11.2604 11.2696 11.2696 12.0341 12.0341 12.0593 12.0593 12.5228 12.5228 k = 0.2679 0.5000-0.0000 ( 6292 PWs) bands (ev): -3.5958 -3.5958 -3.5958 -3.5958 -2.8638 -2.8638 -2.8629 -2.8629 -0.1643 -0.1643 -0.1582 -0.1582 -0.0178 -0.0178 -0.0058 -0.0058 0.1017 0.1017 0.1082 0.1082 0.1719 0.1719 0.1798 0.1798 0.2411 0.2411 0.2826 0.2826 0.3219 0.3219 0.3402 0.3402 0.3978 0.3978 0.4090 0.4090 0.5429 0.5429 0.5615 0.5615 0.6103 0.6103 0.6143 0.6143 0.6385 0.6385 0.6599 0.6599 0.6785 0.6785 0.6813 0.6813 0.7382 0.7382 0.7643 0.7643 0.7853 0.7853 0.8006 0.8006 0.8514 0.8514 0.8532 0.8532 0.9627 0.9627 1.0198 1.0198 2.5001 2.5001 2.5146 2.5146 3.3297 3.3297 3.3435 3.3435 4.3968 4.3968 4.3973 4.3973 5.3995 5.3995 5.4022 5.4022 5.7989 5.7989 5.8004 5.8004 7.0278 7.0278 7.0352 7.0352 9.9647 9.9647 9.9763 9.9763 10.3324 10.3324 10.3787 10.3787 11.2718 11.2718 11.2784 11.2784 12.0230 12.0230 12.0480 12.0480 12.5581 12.5581 k = 0.2857 0.5000-0.0000 ( 6296 PWs) bands (ev): -3.5758 -3.5758 -3.5758 -3.5758 -2.8850 -2.8850 -2.8841 -2.8841 -0.1553 -0.1553 -0.1491 -0.1491 -0.0139 -0.0139 -0.0026 -0.0026 0.1056 0.1056 0.1136 0.1136 0.1724 0.1724 0.1795 0.1795 0.2449 0.2449 0.2862 0.2862 0.3215 0.3215 0.3426 0.3426 0.3991 0.3991 0.4114 0.4114 0.5390 0.5390 0.5566 0.5566 0.6067 0.6067 0.6114 0.6114 0.6372 0.6372 0.6588 0.6588 0.6776 0.6776 0.6804 0.6804 0.7346 0.7346 0.7582 0.7582 0.7835 0.7835 0.7969 0.7969 0.8475 0.8475 0.8506 0.8506 0.9366 0.9366 0.9934 0.9934 2.5199 2.5199 2.5323 2.5323 3.3294 3.3294 3.3449 3.3449 4.3344 4.3344 4.3362 4.3362 5.4914 5.4914 5.4943 5.4943 5.7524 5.7524 5.7533 5.7533 7.0746 7.0746 7.0821 7.0821 9.9284 9.9284 9.9356 9.9356 10.3930 10.3930 10.4366 10.4366 11.2741 11.2741 11.2775 11.2775 12.0326 12.0326 12.0567 12.0567 12.5943 12.5943 k = 0.3036 0.5000-0.0000 ( 6296 PWs) bands (ev): -3.5550 -3.5550 -3.5550 -3.5550 -2.9070 -2.9070 -2.9062 -2.9062 -0.1463 -0.1463 -0.1402 -0.1402 -0.0103 -0.0103 0.0001 0.0001 0.1102 0.1102 0.1200 0.1200 0.1733 0.1733 0.1797 0.1797 0.2489 0.2489 0.2894 0.2894 0.3212 0.3212 0.3449 0.3449 0.4007 0.4007 0.4139 0.4139 0.5351 0.5351 0.5511 0.5511 0.6032 0.6032 0.6084 0.6084 0.6360 0.6360 0.6577 0.6577 0.6767 0.6767 0.6796 0.6796 0.7309 0.7309 0.7516 0.7516 0.7817 0.7817 0.7921 0.7921 0.8429 0.8429 0.8479 0.8479 0.9128 0.9128 0.9674 0.9674 2.5418 2.5418 2.5521 2.5521 3.3306 3.3306 3.3478 3.3478 4.2717 4.2717 4.2748 4.2748 5.5757 5.5757 5.5803 5.5803 5.7141 5.7141 5.7153 5.7153 7.1198 7.1198 7.1272 7.1272 9.8713 9.8713 9.8744 9.8744 10.4684 10.4684 10.5090 10.5090 11.2715 11.2715 11.2717 11.2717 12.0614 12.0614 12.0840 12.0840 12.6309 12.6309 k = 0.3214 0.5000-0.0000 ( 6298 PWs) bands (ev): -3.5336 -3.5336 -3.5336 -3.5336 -2.9296 -2.9296 -2.9288 -2.9288 -0.1375 -0.1375 -0.1315 -0.1315 -0.0071 -0.0071 0.0020 0.0020 0.1155 0.1155 0.1272 0.1272 0.1746 0.1746 0.1806 0.1806 0.2530 0.2530 0.2918 0.2918 0.3211 0.3211 0.3467 0.3467 0.4026 0.4026 0.4165 0.4165 0.5314 0.5314 0.5449 0.5449 0.5996 0.5996 0.6051 0.6051 0.6350 0.6350 0.6566 0.6566 0.6757 0.6757 0.6787 0.6787 0.7268 0.7268 0.7444 0.7444 0.7799 0.7799 0.7857 0.7857 0.8371 0.8371 0.8450 0.8450 0.8928 0.8928 0.9427 0.9427 2.5655 2.5655 2.5735 2.5735 3.3327 3.3327 3.3515 3.3515 4.2101 4.2101 4.2145 4.2145 5.6136 5.6136 5.6204 5.6204 5.7216 5.7216 5.7255 5.7255 7.1630 7.1630 7.1702 7.1702 9.8060 9.8060 9.8064 9.8064 10.5409 10.5409 10.5790 10.5790 11.2690 11.2690 11.2716 11.2716 12.1060 12.1060 12.1269 12.1269 12.6677 12.6677 k = 0.3393 0.5000-0.0000 ( 6292 PWs) bands (ev): -3.5116 -3.5116 -3.5116 -3.5116 -2.9527 -2.9527 -2.9519 -2.9519 -0.1290 -0.1290 -0.1233 -0.1233 -0.0045 -0.0045 0.0033 0.0033 0.1214 0.1214 0.1350 0.1350 0.1765 0.1765 0.1824 0.1824 0.2571 0.2571 0.2933 0.2933 0.3216 0.3216 0.3482 0.3482 0.4051 0.4051 0.4193 0.4193 0.5277 0.5277 0.5379 0.5379 0.5961 0.5961 0.6013 0.6013 0.6342 0.6342 0.6555 0.6555 0.6746 0.6746 0.6778 0.6778 0.7219 0.7219 0.7367 0.7367 0.7773 0.7773 0.7780 0.7780 0.8303 0.8303 0.8418 0.8418 0.8781 0.8781 0.9199 0.9199 2.5905 2.5905 2.5963 2.5963 3.3356 3.3356 3.3558 3.3558 4.1506 4.1506 4.1563 4.1563 5.5890 5.5890 5.5940 5.5940 5.7954 5.7954 5.7978 5.7978 7.2036 7.2036 7.2105 7.2105 9.7374 9.7374 9.7387 9.7387 10.5994 10.5994 10.6346 10.6346 11.2792 11.2792 11.2831 11.2831 12.1624 12.1624 12.1814 12.1814 12.7041 12.7041 k = 0.3571 0.5000-0.0000 ( 6292 PWs) bands (ev): -3.4894 -3.4894 -3.4894 -3.4894 -2.9760 -2.9760 -2.9752 -2.9752 -0.1209 -0.1209 -0.1155 -0.1155 -0.0024 -0.0024 0.0040 0.0040 0.1276 0.1276 0.1427 0.1427 0.1797 0.1797 0.1852 0.1852 0.2612 0.2612 0.2935 0.2935 0.3227 0.3227 0.3492 0.3492 0.4080 0.4080 0.4223 0.4223 0.5242 0.5242 0.5303 0.5303 0.5925 0.5925 0.5970 0.5970 0.6336 0.6336 0.6545 0.6545 0.6734 0.6734 0.6769 0.6769 0.7155 0.7155 0.7285 0.7285 0.7676 0.7676 0.7759 0.7759 0.8235 0.8235 0.8380 0.8380 0.8685 0.8685 0.9001 0.9001 2.6162 2.6162 2.6199 2.6199 3.3388 3.3388 3.3601 3.3601 4.0942 4.0942 4.1011 4.1011 5.5532 5.5532 5.5572 5.5572 5.8786 5.8786 5.8805 5.8805 7.2413 7.2413 7.2477 7.2477 9.6703 9.6703 9.6726 9.6726 10.6375 10.6375 10.6685 10.6685 11.3094 11.3094 11.3130 11.3130 12.2272 12.2272 12.2441 12.2441 12.7397 12.7397 k = 0.3750 0.5000-0.0000 ( 6290 PWs) bands (ev): -3.4671 -3.4671 -3.4670 -3.4670 -2.9992 -2.9992 -2.9985 -2.9985 -0.1133 -0.1133 -0.1084 -0.1084 -0.0010 -0.0010 0.0041 0.0041 0.1337 0.1337 0.1494 0.1494 0.1848 0.1848 0.1893 0.1893 0.2650 0.2650 0.2923 0.2923 0.3246 0.3246 0.3497 0.3497 0.4116 0.4116 0.4253 0.4253 0.5205 0.5205 0.5221 0.5221 0.5890 0.5890 0.5921 0.5921 0.6331 0.6331 0.6537 0.6537 0.6722 0.6722 0.6759 0.6759 0.7067 0.7067 0.7200 0.7200 0.7585 0.7585 0.7735 0.7735 0.8177 0.8177 0.8333 0.8333 0.8626 0.8626 0.8841 0.8841 2.6419 2.6419 2.6439 2.6439 3.3420 3.3420 3.3640 3.3640 4.0418 4.0418 4.0497 4.0497 5.5181 5.5181 5.5215 5.5215 5.9588 5.9588 5.9604 5.9604 7.2755 7.2755 7.2813 7.2813 9.6070 9.6070 9.6098 9.6098 10.6540 10.6540 10.6799 10.6799 11.3609 11.3609 11.3628 11.3628 12.2978 12.2978 12.3121 12.3121 12.7739 12.7739 k = 0.3929 0.5000-0.0000 ( 6286 PWs) bands (ev): -3.4451 -3.4451 -3.4450 -3.4450 -3.0221 -3.0221 -3.0215 -3.0215 -0.1063 -0.1063 -0.1019 -0.1019 -0.0002 -0.0002 0.0038 0.0038 0.1394 0.1394 0.1542 0.1542 0.1925 0.1925 0.1949 0.1949 0.2684 0.2684 0.2899 0.2899 0.3269 0.3269 0.3498 0.3498 0.4159 0.4159 0.4286 0.4286 0.5132 0.5132 0.5165 0.5165 0.5855 0.5855 0.5865 0.5865 0.6328 0.6328 0.6530 0.6530 0.6707 0.6707 0.6744 0.6744 0.6962 0.6962 0.7115 0.7115 0.7518 0.7518 0.7707 0.7707 0.8133 0.8133 0.8276 0.8276 0.8587 0.8587 0.8724 0.8724 2.6670 2.6670 2.6674 2.6674 3.3451 3.3451 3.3671 3.3671 3.9944 3.9944 4.0030 4.0030 5.4861 5.4861 5.4890 5.4890 6.0330 6.0330 6.0345 6.0345 7.3059 7.3059 7.3111 7.3111 9.5489 9.5489 9.5519 9.5519 10.6535 10.6535 10.6743 10.6743 11.4279 11.4279 11.4279 11.4279 12.3721 12.3721 12.3834 12.3834 12.8059 12.8059 k = 0.4107 0.5000-0.0000 ( 6290 PWs) bands (ev): -3.4238 -3.4238 -3.4237 -3.4237 -3.0441 -3.0441 -3.0436 -3.0436 -0.1000 -0.1000 -0.0963 -0.0963 0.0002 0.0002 0.0032 0.0032 0.1443 0.1443 0.1571 0.1571 0.2020 0.2020 0.2022 0.2022 0.2710 0.2710 0.2864 0.2864 0.3296 0.3296 0.3493 0.3493 0.4210 0.4210 0.4320 0.4320 0.5039 0.5039 0.5118 0.5118 0.5805 0.5805 0.5819 0.5819 0.6327 0.6327 0.6524 0.6524 0.6690 0.6690 0.6715 0.6715 0.6864 0.6864 0.7034 0.7034 0.7478 0.7478 0.7675 0.7675 0.8100 0.8100 0.8214 0.8214 0.8562 0.8562 0.8646 0.8646 2.6898 2.6898 2.6906 2.6906 3.3479 3.3479 3.3690 3.3690 3.9527 3.9527 3.9615 3.9615 5.4581 5.4581 5.4605 5.4605 6.0994 6.0994 6.1006 6.1006 7.3323 7.3323 7.3367 7.3367 9.4972 9.4972 9.5001 9.5001 10.6427 10.6427 10.6587 10.6587 11.5009 11.5009 11.5022 11.5022 12.4491 12.4491 12.4567 12.4567 12.8351 12.8351 k = 0.4286 0.5000-0.0000 ( 6286 PWs) bands (ev): -3.4039 -3.4039 -3.4038 -3.4038 -3.0647 -3.0647 -3.0642 -3.0642 -0.0946 -0.0946 -0.0915 -0.0915 0.0003 0.0003 0.0024 0.0024 0.1483 0.1483 0.1586 0.1586 0.2104 0.2104 0.2133 0.2133 0.2727 0.2727 0.2821 0.2821 0.3322 0.3322 0.3483 0.3483 0.4271 0.4271 0.4358 0.4358 0.4945 0.4945 0.5058 0.5058 0.5748 0.5748 0.5783 0.5783 0.6328 0.6328 0.6516 0.6516 0.6657 0.6657 0.6670 0.6670 0.6811 0.6811 0.6962 0.6962 0.7459 0.7459 0.7640 0.7640 0.8075 0.8075 0.8157 0.8157 0.8545 0.8545 0.8596 0.8596 2.7102 2.7102 2.7117 2.7117 3.3505 3.3505 3.3697 3.3697 3.9176 3.9176 3.9261 3.9261 5.4347 5.4347 5.4366 5.4366 6.1562 6.1562 6.1573 6.1573 7.3542 7.3542 7.3578 7.3578 9.4532 9.4532 9.4557 9.4557 10.6274 10.6274 10.6394 10.6394 11.5739 11.5739 11.5759 11.5759 12.5281 12.5281 12.5313 12.5313 12.8607 12.8607 k = 0.4464 0.5000-0.0000 ( 6276 PWs) bands (ev): -3.3862 -3.3862 -3.3861 -3.3861 -3.0828 -3.0828 -3.0824 -3.0824 -0.0901 -0.0901 -0.0877 -0.0877 0.0001 0.0001 0.0016 0.0016 0.1515 0.1515 0.1592 0.1592 0.2195 0.2195 0.2244 0.2244 0.2731 0.2731 0.2770 0.2770 0.3349 0.3349 0.3471 0.3471 0.4342 0.4342 0.4400 0.4400 0.4852 0.4852 0.4980 0.4980 0.5701 0.5701 0.5748 0.5748 0.6332 0.6332 0.6497 0.6497 0.6599 0.6599 0.6648 0.6648 0.6794 0.6794 0.6904 0.6904 0.7454 0.7454 0.7602 0.7602 0.8058 0.8058 0.8111 0.8111 0.8534 0.8534 0.8565 0.8565 2.7276 2.7276 2.7293 2.7293 3.3530 3.3530 3.3689 3.3689 3.8900 3.8900 3.8973 3.8973 5.4161 5.4161 5.4176 5.4176 6.2022 6.2022 6.2031 6.2031 7.3716 7.3716 7.3743 7.3743 9.4177 9.4177 9.4197 9.4197 10.6121 10.6121 10.6207 10.6207 11.6399 11.6399 11.6419 11.6419 12.6072 12.6072 12.6089 12.6089 12.8819 12.8819 k = 0.4643 0.5000-0.0000 ( 6280 PWs) bands (ev): -3.3719 -3.3719 -3.3719 -3.3719 -3.0974 -3.0974 -3.0971 -3.0971 -0.0867 -0.0867 -0.0851 -0.0851 -0.0001 -0.0001 0.0009 0.0009 0.1540 0.1540 0.1590 0.1590 0.2286 0.2286 0.2344 0.2344 0.2717 0.2717 0.2718 0.2718 0.3373 0.3373 0.3455 0.3455 0.4422 0.4422 0.4446 0.4446 0.4766 0.4766 0.4886 0.4886 0.5672 0.5672 0.5716 0.5716 0.6341 0.6341 0.6458 0.6458 0.6575 0.6575 0.6625 0.6625 0.6791 0.6791 0.6860 0.6860 0.7461 0.7461 0.7565 0.7565 0.8047 0.8047 0.8078 0.8078 0.8528 0.8528 0.8546 0.8546 2.7411 2.7411 2.7426 2.7426 3.3555 3.3555 3.3670 3.3670 3.8704 3.8704 3.8758 3.8758 5.4028 5.4028 5.4037 5.4037 6.2361 6.2361 6.2367 6.2367 7.3842 7.3842 7.3860 7.3860 9.3918 9.3918 9.3932 9.3932 10.5997 10.5997 10.6052 10.6052 11.6927 11.6927 11.6941 11.6941 12.6847 12.6847 12.6914 12.6914 12.8981 12.8981 k = 0.4821 0.5000-0.0000 ( 6268 PWs) bands (ev): -3.3625 -3.3625 -3.3625 -3.3625 -3.1070 -3.1070 -3.1068 -3.1068 -0.0844 -0.0844 -0.0836 -0.0836 -0.0001 -0.0001 0.0003 0.0003 0.1560 0.1560 0.1585 0.1585 0.2369 0.2369 0.2414 0.2414 0.2674 0.2674 0.2692 0.2692 0.3396 0.3396 0.3437 0.3437 0.4496 0.4496 0.4502 0.4502 0.4699 0.4699 0.4784 0.4784 0.5662 0.5662 0.5688 0.5688 0.6356 0.6356 0.6415 0.6415 0.6575 0.6575 0.6603 0.6603 0.6796 0.6796 0.6829 0.6829 0.7477 0.7477 0.7530 0.7530 0.8043 0.8043 0.8057 0.8057 0.8526 0.8526 0.8534 0.8534 2.7498 2.7498 2.7507 2.7507 3.3583 3.3583 3.3643 3.3643 3.8592 3.8592 3.8620 3.8620 5.3948 5.3948 5.3953 5.3953 6.2570 6.2570 6.2573 6.2573 7.3920 7.3920 7.3929 7.3929 9.3761 9.3761 9.3768 9.3768 10.5922 10.5922 10.5949 10.5949 11.7269 11.7269 11.7276 11.7276 12.7627 12.7627 12.7733 12.7733 12.9085 12.9085 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -3.3592 -3.3592 -3.3592 -3.3592 -3.1103 -3.1103 -3.1103 -3.1103 -0.0834 -0.0834 -0.0834 -0.0834 -0.0000 -0.0000 -0.0000 -0.0000 0.1575 0.1575 0.1575 0.1575 0.2423 0.2423 0.2423 0.2423 0.2667 0.2667 0.2667 0.2667 0.3417 0.3417 0.3417 0.3417 0.4534 0.4534 0.4534 0.4534 0.4700 0.4700 0.4700 0.4700 0.5669 0.5669 0.5669 0.5669 0.6381 0.6381 0.6381 0.6381 0.6586 0.6586 0.6586 0.6586 0.6809 0.6809 0.6809 0.6809 0.7501 0.7501 0.7501 0.7501 0.8046 0.8046 0.8046 0.8046 0.8528 0.8528 0.8528 0.8528 2.7531 2.7531 2.7531 2.7531 3.3613 3.3613 3.3613 3.3613 3.8564 3.8564 3.8564 3.8564 5.3923 5.3923 5.3923 5.3923 6.2641 6.2641 6.2641 6.2641 7.3949 7.3949 7.3949 7.3949 9.3710 9.3710 9.3710 9.3710 10.5904 10.5904 10.5904 10.5904 11.7390 11.7390 11.7390 11.7390 12.8222 12.8222 12.8222 12.8222 12.9041 12.9041 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -3.3592 -3.3592 -3.3592 -3.3592 -3.1103 -3.1103 -3.1103 -3.1103 -0.0834 -0.0834 -0.0834 -0.0834 -0.0000 -0.0000 -0.0000 -0.0000 0.1575 0.1575 0.1575 0.1575 0.2423 0.2423 0.2423 0.2423 0.2667 0.2667 0.2667 0.2667 0.3417 0.3417 0.3417 0.3417 0.4534 0.4534 0.4534 0.4534 0.4700 0.4700 0.4700 0.4700 0.5669 0.5669 0.5669 0.5669 0.6381 0.6381 0.6381 0.6381 0.6586 0.6586 0.6586 0.6586 0.6809 0.6809 0.6809 0.6809 0.7501 0.7501 0.7501 0.7501 0.8046 0.8046 0.8046 0.8046 0.8528 0.8528 0.8528 0.8528 2.7531 2.7531 2.7531 2.7531 3.3613 3.3613 3.3613 3.3613 3.8564 3.8564 3.8564 3.8564 5.3923 5.3923 5.3923 5.3923 6.2641 6.2641 6.2641 6.2641 7.3949 7.3949 7.3949 7.3949 9.3710 9.3710 9.3710 9.3710 10.5904 10.5904 10.5904 10.5904 11.7390 11.7390 11.7390 11.7390 12.8222 12.8222 12.8222 12.8222 12.9041 12.9041 k = 0.4875 0.4875-0.0000 ( 6268 PWs) bands (ev): -3.3664 -3.3664 -3.3583 -3.3583 -3.1098 -3.1098 -3.1043 -3.1043 -0.0846 -0.0846 -0.0834 -0.0834 -0.0005 -0.0005 0.0006 0.0006 0.1559 0.1559 0.1585 0.1585 0.2362 0.2362 0.2427 0.2427 0.2648 0.2648 0.2712 0.2712 0.3395 0.3395 0.3437 0.3437 0.4467 0.4467 0.4542 0.4542 0.4684 0.4684 0.4788 0.4788 0.5659 0.5659 0.5691 0.5691 0.6357 0.6357 0.6414 0.6414 0.6575 0.6575 0.6604 0.6604 0.6797 0.6797 0.6828 0.6828 0.7477 0.7477 0.7530 0.7530 0.8043 0.8043 0.8058 0.8058 0.8526 0.8526 0.8534 0.8534 2.7473 2.7473 2.7534 2.7534 3.3524 3.3524 3.3703 3.3703 3.8567 3.8567 3.8642 3.8642 5.3938 5.3938 5.3961 5.3961 6.2534 6.2534 6.2612 6.2612 7.3876 7.3876 7.3974 7.3974 9.3678 9.3678 9.3849 9.3849 10.5886 10.5886 10.5983 10.5983 11.7159 11.7159 11.7393 11.7393 12.7490 12.7490 12.7868 12.7868 12.9031 12.9031 k = 0.4750 0.4750-0.0000 ( 6276 PWs) bands (ev): -3.3863 -3.3863 -3.3559 -3.3559 -3.1081 -3.1081 -3.0881 -3.0881 -0.0878 -0.0878 -0.0837 -0.0837 -0.0017 -0.0017 0.0024 0.0024 0.1536 0.1536 0.1594 0.1594 0.2260 0.2260 0.2406 0.2406 0.2607 0.2607 0.2795 0.2795 0.3367 0.3367 0.3462 0.3462 0.4355 0.4355 0.4558 0.4558 0.4711 0.4711 0.4894 0.4894 0.5652 0.5652 0.5734 0.5734 0.6343 0.6343 0.6456 0.6456 0.6570 0.6570 0.6628 0.6628 0.6795 0.6795 0.6855 0.6855 0.7460 0.7460 0.7565 0.7565 0.8044 0.8044 0.8080 0.8080 0.8528 0.8528 0.8545 0.8545 2.7308 2.7308 2.7541 2.7541 3.3289 3.3289 3.3946 3.3946 3.8583 3.8583 3.8854 3.8854 5.3986 5.3986 5.4075 5.4075 6.2219 6.2219 6.2524 6.2524 7.3660 7.3660 7.4049 7.4049 9.3581 9.3581 9.4257 9.4257 10.5837 10.5837 10.6208 10.6208 11.6514 11.6514 11.7405 11.7405 12.6369 12.6369 12.7283 12.7283 12.8696 12.8696 k = 0.4625 0.4625-0.0000 ( 6276 PWs) bands (ev): -3.4151 -3.4151 -3.3518 -3.3518 -3.1054 -3.1054 -3.0653 -3.0653 -0.0929 -0.0929 -0.0843 -0.0843 -0.0036 -0.0036 0.0050 0.0050 0.1503 0.1503 0.1604 0.1604 0.2145 0.2145 0.2368 0.2368 0.2550 0.2550 0.2881 0.2881 0.3329 0.3329 0.3493 0.3493 0.4242 0.4242 0.4583 0.4583 0.4757 0.4757 0.4990 0.4990 0.5645 0.5645 0.5799 0.5799 0.6339 0.6339 0.6498 0.6498 0.6578 0.6578 0.6663 0.6663 0.6805 0.6805 0.6889 0.6889 0.7449 0.7449 0.7606 0.7606 0.8049 0.8049 0.8117 0.8117 0.8536 0.8536 0.8564 0.8564 2.7063 2.7063 2.7553 2.7553 3.2935 3.2935 3.4324 3.4324 3.8611 3.8611 3.9167 3.9167 5.4067 5.4067 5.4264 5.4264 6.1714 6.1714 6.2383 6.2383 7.3309 7.3309 7.4170 7.4170 9.3422 9.3422 9.4920 9.4920 10.5751 10.5751 10.6566 10.6566 11.5554 11.5554 11.7431 11.7431 12.5147 12.5147 12.6725 12.6725 12.8156 12.8156 k = 0.4500 0.4500-0.0000 ( 6286 PWs) bands (ev): -3.4496 -3.4496 -3.3460 -3.3460 -3.1016 -3.1016 -3.0392 -3.0392 -0.0995 -0.0995 -0.0851 -0.0851 -0.0062 -0.0062 0.0080 0.0080 0.1455 0.1455 0.1613 0.1613 0.2028 0.2028 0.2309 0.2309 0.2492 0.2492 0.2956 0.2956 0.3283 0.3283 0.3531 0.3531 0.4138 0.4138 0.4615 0.4615 0.4812 0.4812 0.5066 0.5066 0.5637 0.5637 0.5877 0.5877 0.6346 0.6346 0.6523 0.6523 0.6605 0.6605 0.6716 0.6716 0.6828 0.6828 0.6930 0.6930 0.7445 0.7445 0.7649 0.7649 0.8057 0.8057 0.8168 0.8168 0.8548 0.8548 0.8597 0.8597 2.6766 2.6766 2.7569 2.7569 3.2500 3.2500 3.4808 3.4808 3.8650 3.8650 3.9545 3.9545 5.4180 5.4180 5.4527 5.4527 6.1042 6.1042 6.2191 6.2191 7.2838 7.2838 7.4333 7.4333 9.3205 9.3205 9.5811 9.5811 10.5623 10.5623 10.7033 10.7033 11.4380 11.4380 11.7482 11.7482 12.3868 12.3868 12.6229 12.6229 12.7445 12.7445 k = 0.4375 0.4375-0.0000 ( 6284 PWs) bands (ev): -3.4879 -3.4879 -3.3387 -3.3387 -3.0967 -3.0967 -3.0117 -3.0117 -0.1072 -0.1072 -0.0862 -0.0862 -0.0094 -0.0094 0.0110 0.0110 0.1392 0.1392 0.1621 0.1621 0.1913 0.1913 0.2232 0.2232 0.2444 0.2444 0.3016 0.3016 0.3229 0.3229 0.3576 0.3576 0.4050 0.4050 0.4651 0.4651 0.4871 0.4871 0.5126 0.5126 0.5631 0.5631 0.5953 0.5953 0.6362 0.6362 0.6533 0.6533 0.6638 0.6638 0.6793 0.6793 0.6866 0.6866 0.6981 0.6981 0.7447 0.7447 0.7694 0.7694 0.8068 0.8068 0.8227 0.8227 0.8565 0.8565 0.8656 0.8656 2.6444 2.6444 2.7587 2.7587 3.2012 3.2012 3.5373 3.5373 3.8700 3.8700 3.9962 3.9962 5.4326 5.4326 5.4862 5.4862 6.0231 6.0231 6.1955 6.1955 7.2262 7.2262 7.4532 7.4532 9.2934 9.2934 9.6903 9.6903 10.5448 10.5448 10.7577 10.7577 11.3064 11.3064 11.7573 11.7573 12.2556 12.2556 12.5804 12.5804 12.6598 12.6598 k = 0.4250 0.4250-0.0000 ( 6290 PWs) bands (ev): -3.5285 -3.5285 -3.3298 -3.3298 -3.0908 -3.0908 -2.9840 -2.9840 -0.1159 -0.1159 -0.0874 -0.0874 -0.0133 -0.0133 0.0135 0.0135 0.1316 0.1316 0.1625 0.1625 0.1804 0.1804 0.2142 0.2142 0.2408 0.2408 0.3053 0.3053 0.3173 0.3173 0.3624 0.3624 0.3983 0.3983 0.4690 0.4690 0.4929 0.4929 0.5174 0.5174 0.5627 0.5627 0.6016 0.6016 0.6386 0.6386 0.6540 0.6540 0.6666 0.6666 0.6883 0.6883 0.6919 0.6919 0.7045 0.7045 0.7457 0.7457 0.7738 0.7738 0.8082 0.8082 0.8284 0.8284 0.8584 0.8584 0.8760 0.8760 2.6119 2.6119 2.7608 2.7608 3.1490 3.1490 3.5999 3.5999 3.8760 3.8760 4.0397 4.0397 5.4506 5.4506 5.5266 5.5266 5.9311 5.9311 6.1682 6.1682 7.1600 7.1600 7.4761 7.4761 9.2615 9.2615 9.8167 9.8167 10.5219 10.5219 10.8157 10.8157 11.1657 11.1657 11.7720 11.7720 12.1224 12.1224 12.5456 12.5456 12.5657 12.5657 k = 0.4125 0.4125-0.0000 ( 6296 PWs) bands (ev): -3.5707 -3.5707 -3.3193 -3.3193 -3.0839 -3.0839 -2.9569 -2.9569 -0.1255 -0.1255 -0.0889 -0.0889 -0.0176 -0.0176 0.0152 0.0152 0.1230 0.1230 0.1612 0.1612 0.1713 0.1713 0.2046 0.2046 0.2383 0.2383 0.3058 0.3058 0.3126 0.3126 0.3667 0.3667 0.3946 0.3946 0.4729 0.4729 0.4983 0.4983 0.5215 0.5215 0.5627 0.5627 0.6063 0.6063 0.6415 0.6415 0.6549 0.6549 0.6690 0.6690 0.6950 0.6950 0.7007 0.7007 0.7121 0.7121 0.7476 0.7476 0.7780 0.7780 0.8101 0.8101 0.8329 0.8329 0.8607 0.8607 0.8922 0.8922 2.5806 2.5806 2.7629 2.7629 3.0949 3.0949 3.6672 3.6672 3.8832 3.8832 4.0837 4.0837 5.4720 5.4720 5.5735 5.5735 5.8307 5.8307 6.1378 6.1378 7.0870 7.0870 7.5013 7.5013 9.2252 9.2252 9.9574 9.9574 10.4933 10.4933 10.8726 10.8726 11.0190 11.0190 11.7938 11.7938 11.9884 11.9884 12.4666 12.4666 12.5187 12.5187 k = 0.4000 0.4000-0.0000 ( 6308 PWs) bands (ev): -3.6139 -3.6139 -3.3073 -3.3073 -3.0760 -3.0760 -2.9308 -2.9308 -0.1356 -0.1356 -0.0906 -0.0906 -0.0225 -0.0225 0.0155 0.0155 0.1142 0.1142 0.1545 0.1545 0.1674 0.1674 0.1951 0.1951 0.2367 0.2367 0.3018 0.3018 0.3101 0.3101 0.3695 0.3695 0.3946 0.3946 0.4769 0.4769 0.5032 0.5032 0.5253 0.5253 0.5631 0.5631 0.6096 0.6096 0.6444 0.6444 0.6563 0.6563 0.6714 0.6714 0.7003 0.7003 0.7107 0.7107 0.7201 0.7201 0.7508 0.7508 0.7818 0.7818 0.8124 0.8124 0.8360 0.8360 0.8633 0.8633 0.9140 0.9140 2.5520 2.5520 2.7649 2.7649 3.0398 3.0398 3.7381 3.7381 3.8913 3.8913 4.1275 4.1275 5.4970 5.4970 5.6263 5.6263 5.7244 5.7244 6.1049 6.1049 7.0090 7.0090 7.5284 7.5284 9.1852 9.1852 10.1098 10.1098 10.4587 10.4587 10.8685 10.8685 10.9237 10.9237 11.8223 11.8223 11.8547 11.8547 12.3694 12.3694 12.4990 12.4990 k = 0.3875 0.3875-0.0000 ( 6304 PWs) bands (ev): -3.6577 -3.6577 -3.2938 -3.2938 -3.0671 -3.0671 -2.9060 -2.9060 -0.1464 -0.1464 -0.0925 -0.0925 -0.0279 -0.0279 0.0139 0.0139 0.1060 0.1060 0.1446 0.1446 0.1664 0.1664 0.1859 0.1859 0.2358 0.2358 0.2961 0.2961 0.3080 0.3080 0.3709 0.3709 0.3981 0.3981 0.4808 0.4808 0.5075 0.5075 0.5288 0.5288 0.5640 0.5640 0.6120 0.6120 0.6469 0.6469 0.6583 0.6583 0.6740 0.6740 0.7057 0.7057 0.7207 0.7207 0.7274 0.7274 0.7556 0.7556 0.7852 0.7852 0.8153 0.8153 0.8383 0.8383 0.8663 0.8663 0.9403 0.9403 2.5274 2.5274 2.7666 2.7666 2.9844 2.9844 3.8117 3.8117 3.9005 3.9005 4.1704 4.1704 5.5254 5.5254 5.6141 5.6141 5.6846 5.6846 6.0702 6.0702 6.9279 6.9279 7.5567 7.5567 9.1419 9.1419 10.2710 10.2710 10.4181 10.4181 10.7160 10.7160 10.9646 10.9646 11.7220 11.7220 11.8511 11.8511 12.2854 12.2854 12.4860 12.4860 k = 0.3750 0.3750-0.0000 ( 6306 PWs) bands (ev): -3.7018 -3.7018 -3.2789 -3.2789 -3.0573 -3.0573 -2.8827 -2.8827 -0.1576 -0.1576 -0.0947 -0.0947 -0.0339 -0.0339 0.0102 0.0102 0.0989 0.0989 0.1342 0.1342 0.1653 0.1653 0.1775 0.1775 0.2353 0.2353 0.2905 0.2905 0.3050 0.3050 0.3715 0.3715 0.4037 0.4037 0.4846 0.4846 0.5111 0.5111 0.5323 0.5323 0.5655 0.5655 0.6139 0.6139 0.6488 0.6488 0.6607 0.6607 0.6768 0.6768 0.7111 0.7111 0.7306 0.7306 0.7332 0.7332 0.7621 0.7621 0.7882 0.7882 0.8187 0.8187 0.8402 0.8402 0.8698 0.8698 0.9695 0.9695 2.5077 2.5077 2.7676 2.7676 2.9291 2.9291 3.8874 3.8874 3.9108 3.9108 4.2122 4.2122 5.5013 5.5013 5.5583 5.5583 5.7470 5.7470 6.0342 6.0342 6.8455 6.8455 7.5857 7.5857 9.0958 9.0958 10.3709 10.3709 10.4362 10.4362 10.5654 10.5654 10.9922 10.9922 11.5922 11.5922 11.8601 11.8601 12.2384 12.2384 12.4787 12.4787 k = 0.3625 0.3625-0.0000 ( 6298 PWs) bands (ev): -3.7460 -3.7460 -3.2626 -3.2626 -3.0466 -3.0466 -2.8610 -2.8610 -0.1693 -0.1693 -0.0973 -0.0973 -0.0408 -0.0408 0.0045 0.0045 0.0934 0.0934 0.1240 0.1240 0.1619 0.1619 0.1715 0.1715 0.2349 0.2349 0.2852 0.2852 0.3017 0.3017 0.3721 0.3721 0.4104 0.4104 0.4883 0.4883 0.5140 0.5140 0.5357 0.5357 0.5677 0.5677 0.6156 0.6156 0.6503 0.6503 0.6633 0.6633 0.6801 0.6801 0.7167 0.7167 0.7372 0.7372 0.7411 0.7411 0.7699 0.7699 0.7910 0.7910 0.8227 0.8227 0.8419 0.8419 0.8736 0.8736 0.9999 0.9999 2.4941 2.4941 2.7678 2.7678 2.8743 2.8743 3.9215 3.9215 3.9651 3.9651 4.2526 4.2526 5.3887 5.3887 5.5942 5.5942 5.8125 5.8125 5.9974 5.9974 6.7641 6.7641 7.6151 7.6151 9.0472 9.0472 10.3193 10.3193 10.4019 10.4019 10.6149 10.6149 11.0051 11.0051 11.4682 11.4682 11.8246 11.8246 12.2549 12.2549 12.4755 12.4755 k = 0.3500 0.3500-0.0000 ( 6294 PWs) bands (ev): -3.7900 -3.7900 -3.2450 -3.2450 -3.0351 -3.0351 -2.8408 -2.8408 -0.1813 -0.1813 -0.1005 -0.1005 -0.0486 -0.0486 -0.0026 -0.0026 0.0891 0.0891 0.1144 0.1144 0.1551 0.1551 0.1690 0.1690 0.2344 0.2344 0.2806 0.2806 0.2986 0.2986 0.3727 0.3727 0.4176 0.4176 0.4919 0.4919 0.5163 0.5163 0.5391 0.5391 0.5704 0.5704 0.6172 0.6172 0.6514 0.6514 0.6659 0.6659 0.6836 0.6836 0.7224 0.7224 0.7408 0.7408 0.7510 0.7510 0.7785 0.7785 0.7935 0.7935 0.8271 0.8271 0.8436 0.8436 0.8779 0.8779 1.0301 1.0301 2.4875 2.4875 2.7667 2.7667 2.8204 2.8204 3.9335 3.9335 4.0435 4.0435 4.2916 4.2916 5.2766 5.2766 5.6343 5.6343 5.8789 5.8789 5.9602 5.9602 6.6861 6.6861 7.6445 7.6445 8.9964 8.9964 10.2484 10.2484 10.2629 10.2629 10.7764 10.7764 11.0029 11.0029 11.3579 11.3579 11.7515 11.7515 12.3289 12.3289 12.4750 12.4750 k = 0.3375 0.3375-0.0000 ( 6304 PWs) bands (ev): -3.8336 -3.8336 -3.2261 -3.2261 -3.0229 -3.0229 -2.8223 -2.8223 -0.1937 -0.1937 -0.1046 -0.1046 -0.0575 -0.0575 -0.0103 -0.0103 0.0852 0.0852 0.1058 0.1058 0.1469 0.1469 0.1679 0.1679 0.2335 0.2335 0.2766 0.2766 0.2961 0.2961 0.3735 0.3735 0.4248 0.4248 0.4954 0.4954 0.5181 0.5181 0.5424 0.5424 0.5738 0.5738 0.6188 0.6188 0.6524 0.6524 0.6681 0.6681 0.6875 0.6875 0.7282 0.7282 0.7438 0.7438 0.7608 0.7608 0.7871 0.7871 0.7961 0.7961 0.8317 0.8317 0.8456 0.8456 0.8828 0.8828 1.0587 1.0587 2.4889 2.4889 2.7621 2.7621 2.7694 2.7694 3.9463 3.9463 4.1226 4.1226 4.3289 4.3289 5.1666 5.1666 5.6786 5.6786 5.9232 5.9232 5.9428 5.9428 6.6154 6.6154 7.6734 7.6734 8.9437 8.9437 10.0949 10.0949 10.2014 10.2014 10.9013 10.9013 10.9859 10.9859 11.2905 11.2905 11.6638 11.6638 12.4374 12.4374 12.4747 12.4747 k = 0.3250 0.3250-0.0000 ( 6304 PWs) bands (ev): -3.8767 -3.8767 -3.2061 -3.2061 -3.0099 -3.0099 -2.8055 -2.8055 -0.2063 -0.2063 -0.1102 -0.1102 -0.0668 -0.0668 -0.0178 -0.0178 0.0808 0.0808 0.0986 0.0986 0.1385 0.1385 0.1670 0.1670 0.2322 0.2322 0.2734 0.2734 0.2946 0.2946 0.3744 0.3744 0.4320 0.4320 0.4987 0.4987 0.5196 0.5196 0.5457 0.5457 0.5777 0.5777 0.6205 0.6205 0.6533 0.6533 0.6701 0.6701 0.6916 0.6916 0.7341 0.7341 0.7467 0.7467 0.7702 0.7702 0.7940 0.7940 0.8004 0.8004 0.8365 0.8365 0.8480 0.8480 0.8881 0.8881 1.0845 1.0845 2.4990 2.4990 2.7149 2.7149 2.7602 2.7602 3.9599 3.9599 4.2020 4.2020 4.3647 4.3647 5.0597 5.0597 5.7270 5.7270 5.8867 5.8867 5.9986 5.9986 6.5582 6.5582 7.7018 7.7018 8.8894 8.8894 9.9417 9.9417 10.1365 10.1365 10.9161 10.9161 10.9556 10.9556 11.3344 11.3344 11.5762 11.5762 12.4707 12.4707 12.5650 12.5650 k = 0.3125 0.3125-0.0000 ( 6304 PWs) bands (ev): -3.9191 -3.9191 -3.1849 -3.1849 -2.9962 -2.9962 -2.7902 -2.7902 -0.2192 -0.2192 -0.1183 -0.1183 -0.0756 -0.0756 -0.0246 -0.0246 0.0754 0.0754 0.0932 0.0932 0.1303 0.1303 0.1661 0.1661 0.2307 0.2307 0.2708 0.2708 0.2940 0.2940 0.3754 0.3754 0.4392 0.4392 0.5017 0.5017 0.5209 0.5209 0.5488 0.5488 0.5820 0.5820 0.6223 0.6223 0.6541 0.6541 0.6717 0.6717 0.6959 0.6959 0.7400 0.7400 0.7494 0.7494 0.7791 0.7791 0.7975 0.7975 0.8081 0.8081 0.8409 0.8409 0.8515 0.8515 0.8940 0.8940 1.1067 1.1067 2.5184 2.5184 2.6643 2.6643 2.7532 2.7532 3.9741 3.9741 4.2813 4.2813 4.3987 4.3987 4.9569 4.9569 5.7798 5.7798 5.8510 5.8510 6.0370 6.0370 6.5239 6.5239 7.7292 7.7292 8.8335 8.8335 9.7899 9.7899 10.0688 10.0688 10.8388 10.8388 10.9074 10.9074 11.4675 11.4675 11.5014 11.5014 12.4355 12.4355 12.5202 12.5202 k = 0.3000 0.3000-0.0000 ( 6308 PWs) bands (ev): -3.9607 -3.9607 -3.1628 -3.1628 -2.9820 -2.9820 -2.7765 -2.7765 -0.2322 -0.2322 -0.1297 -0.1297 -0.0828 -0.0828 -0.0307 -0.0307 0.0690 0.0690 0.0890 0.0890 0.1221 0.1221 0.1650 0.1650 0.2291 0.2291 0.2688 0.2688 0.2944 0.2944 0.3765 0.3765 0.4462 0.4462 0.5042 0.5042 0.5224 0.5224 0.5518 0.5518 0.5867 0.5867 0.6243 0.6243 0.6549 0.6549 0.6732 0.6732 0.7001 0.7001 0.7458 0.7458 0.7521 0.7521 0.7874 0.7874 0.7996 0.7996 0.8169 0.8169 0.8449 0.8449 0.8560 0.8560 0.9005 0.9005 1.1245 1.1245 2.5476 2.5476 2.6150 2.6150 2.7435 2.7435 3.9889 3.9889 4.3602 4.3602 4.4308 4.4308 4.8590 4.8590 5.8162 5.8162 5.8375 5.8375 6.0477 6.0477 6.5231 6.5231 7.7556 7.7556 8.7762 8.7762 9.6397 9.6397 9.9987 9.9987 10.7324 10.7324 10.8427 10.8427 11.4256 11.4256 11.6370 11.6370 12.2900 12.2900 12.4842 12.4842 k = 0.2875 0.2875-0.0000 ( 6312 PWs) bands (ev): -4.0014 -4.0014 -3.1397 -3.1397 -2.9672 -2.9672 -2.7643 -2.7643 -0.2453 -0.2453 -0.1442 -0.1442 -0.0881 -0.0881 -0.0362 -0.0362 0.0624 0.0624 0.0852 0.0852 0.1142 0.1142 0.1636 0.1636 0.2277 0.2277 0.2677 0.2677 0.2956 0.2956 0.3778 0.3778 0.4532 0.4532 0.5060 0.5060 0.5242 0.5242 0.5546 0.5546 0.5918 0.5918 0.6265 0.6265 0.6557 0.6557 0.6744 0.6744 0.7043 0.7043 0.7515 0.7515 0.7549 0.7549 0.7948 0.7948 0.8016 0.8016 0.8253 0.8253 0.8488 0.8488 0.8616 0.8616 0.9076 0.9076 1.1377 1.1377 2.5670 2.5670 2.5865 2.5865 2.7305 2.7305 4.0042 4.0042 4.4384 4.4384 4.4608 4.4608 4.7670 4.7670 5.7835 5.7835 5.8992 5.8992 6.0291 6.0291 6.5574 6.5574 7.7807 7.7807 8.7175 8.7175 9.4916 9.4916 9.9270 9.9270 10.6183 10.6183 10.7637 10.7637 11.3704 11.3704 11.7897 11.7897 12.1137 12.1137 12.4713 12.4713 k = 0.2750 0.2750-0.0000 ( 6304 PWs) bands (ev): -4.0410 -4.0410 -3.1158 -3.1158 -2.9520 -2.9520 -2.7535 -2.7535 -0.2586 -0.2586 -0.1610 -0.1610 -0.0919 -0.0919 -0.0412 -0.0412 0.0559 0.0559 0.0815 0.0815 0.1066 0.1066 0.1618 0.1618 0.2267 0.2267 0.2676 0.2676 0.2973 0.2973 0.3792 0.3792 0.4600 0.4600 0.5073 0.5073 0.5266 0.5266 0.5572 0.5572 0.5971 0.5971 0.6288 0.6288 0.6566 0.6566 0.6755 0.6755 0.7084 0.7084 0.7567 0.7567 0.7580 0.7580 0.8006 0.8006 0.8047 0.8047 0.8326 0.8326 0.8535 0.8535 0.8678 0.8678 0.9153 0.9153 1.1462 1.1462 2.5204 2.5204 2.6349 2.6349 2.7139 2.7139 4.0199 4.0199 4.4885 4.4885 4.5156 4.5156 4.6816 4.6816 5.7524 5.7524 5.9656 5.9656 5.9903 5.9903 6.6183 6.6183 7.8044 7.8044 8.6574 8.6574 9.3458 9.3458 9.8543 9.8543 10.5027 10.5027 10.6731 10.6731 11.3269 11.3269 11.9081 11.9081 11.9315 11.9315 12.4573 12.4573 k = 0.2625 0.2625-0.0000 ( 6298 PWs) bands (ev): -4.0795 -4.0795 -3.0912 -3.0912 -2.9364 -2.9364 -2.7440 -2.7440 -0.2718 -0.2718 -0.1792 -0.1792 -0.0947 -0.0947 -0.0458 -0.0458 0.0496 0.0496 0.0776 0.0776 0.0992 0.0992 0.1596 0.1596 0.2261 0.2261 0.2684 0.2684 0.2992 0.2992 0.3809 0.3809 0.4667 0.4667 0.5080 0.5080 0.5293 0.5293 0.5596 0.5596 0.6025 0.6025 0.6312 0.6312 0.6575 0.6575 0.6764 0.6764 0.7124 0.7124 0.7602 0.7602 0.7628 0.7628 0.8034 0.8034 0.8099 0.8099 0.8383 0.8383 0.8596 0.8596 0.8743 0.8743 0.9234 0.9234 1.1501 1.1501 2.4753 2.4753 2.6891 2.6891 2.6963 2.6963 4.0358 4.0358 4.5136 4.5136 4.5908 4.5908 4.6042 4.6042 5.7234 5.7234 5.9413 5.9413 6.0370 6.0370 6.6951 6.6951 7.8265 7.8265 8.5959 8.5959 9.2027 9.2027 9.7810 9.7810 10.3881 10.3881 10.5741 10.5741 11.2937 11.2937 11.7465 11.7465 11.9729 11.9729 12.4369 12.4369 k = 0.2500 0.2500-0.0000 ( 6298 PWs) bands (ev): -4.1168 -4.1168 -3.0661 -3.0661 -2.9205 -2.9205 -2.7358 -2.7358 -0.2851 -0.2851 -0.1983 -0.1983 -0.0970 -0.0970 -0.0503 -0.0503 0.0438 0.0438 0.0734 0.0734 0.0920 0.0920 0.1568 0.1568 0.2260 0.2260 0.2703 0.2703 0.3012 0.3012 0.3828 0.3828 0.4734 0.4734 0.5083 0.5083 0.5324 0.5324 0.5618 0.5618 0.6079 0.6079 0.6338 0.6338 0.6585 0.6585 0.6773 0.6773 0.7161 0.7161 0.7630 0.7630 0.7679 0.7679 0.8052 0.8052 0.8155 0.8155 0.8424 0.8424 0.8669 0.8669 0.8809 0.8809 0.9320 0.9320 1.1501 1.1501 2.4317 2.4317 2.6677 2.6677 2.7585 2.7585 4.0519 4.0519 4.5315 4.5315 4.5368 4.5368 4.6665 4.6665 5.6968 5.6968 5.8899 5.8899 6.1127 6.1127 6.7812 6.7812 7.8468 7.8468 8.5328 8.5328 9.0626 9.0626 9.7077 9.7077 10.2755 10.2755 10.4699 10.4699 11.2687 11.2687 11.5604 11.5604 11.9879 11.9879 12.4093 12.4093 k = 0.2375 0.2375-0.0000 ( 6300 PWs) bands (ev): -4.1527 -4.1527 -3.0406 -3.0406 -2.9045 -2.9045 -2.7287 -2.7287 -0.2982 -0.2982 -0.2179 -0.2179 -0.0987 -0.0987 -0.0544 -0.0544 0.0385 0.0385 0.0690 0.0690 0.0852 0.0852 0.1537 0.1537 0.2262 0.2262 0.2732 0.2732 0.3033 0.3033 0.3849 0.3849 0.4799 0.4799 0.5084 0.5084 0.5356 0.5356 0.5638 0.5638 0.6133 0.6133 0.6364 0.6364 0.6595 0.6595 0.6781 0.6781 0.7197 0.7197 0.7658 0.7658 0.7727 0.7727 0.8068 0.8068 0.8208 0.8208 0.8455 0.8455 0.8750 0.8750 0.8874 0.8874 0.9410 0.9410 1.1466 1.1466 2.3897 2.3897 2.6383 2.6383 2.8316 2.8316 4.0679 4.0679 4.4699 4.4699 4.5547 4.5547 4.7395 4.7395 5.6729 5.6729 5.8398 5.8398 6.1931 6.1931 6.8723 6.8723 7.8650 7.8650 8.4682 8.4682 8.9261 8.9261 9.6349 9.6349 10.1656 10.1656 10.3628 10.3628 11.2505 11.2505 11.3741 11.3741 11.9727 11.9727 12.3750 12.3750 k = 0.2250 0.2250-0.0000 ( 6296 PWs) bands (ev): -4.1871 -4.1871 -3.0147 -3.0147 -2.8884 -2.8884 -2.7226 -2.7226 -0.3113 -0.3113 -0.2376 -0.2376 -0.1002 -0.1002 -0.0585 -0.0585 0.0337 0.0337 0.0645 0.0645 0.0785 0.0785 0.1503 0.1503 0.2266 0.2266 0.2772 0.2772 0.3054 0.3054 0.3874 0.3874 0.4864 0.4864 0.5084 0.5084 0.5390 0.5390 0.5656 0.5656 0.6186 0.6186 0.6391 0.6391 0.6606 0.6606 0.6789 0.6789 0.7231 0.7231 0.7685 0.7685 0.7772 0.7772 0.8084 0.8084 0.8257 0.8257 0.8480 0.8480 0.8832 0.8832 0.8939 0.8939 0.9502 0.9502 1.1402 1.1402 2.3492 2.3492 2.6045 2.6045 2.9114 2.9114 4.0837 4.0837 4.4152 4.4152 4.5697 4.5697 4.8110 4.8110 5.6519 5.6519 5.7935 5.7935 6.2778 6.2778 6.9662 6.9662 7.8809 7.8809 8.4019 8.4019 8.7936 8.7936 9.5630 9.5630 10.0589 10.0589 10.2548 10.2548 11.1885 11.1885 11.2380 11.2380 11.9426 11.9426 12.3346 12.3346 k = 0.2125 0.2125-0.0000 ( 6316 PWs) bands (ev): -4.2201 -4.2201 -2.9887 -2.9887 -2.8723 -2.8723 -2.7175 -2.7175 -0.3241 -0.3241 -0.2573 -0.2573 -0.1014 -0.1014 -0.0625 -0.0625 0.0293 0.0293 0.0598 0.0598 0.0721 0.0721 0.1466 0.1466 0.2272 0.2272 0.2819 0.2819 0.3075 0.3075 0.3901 0.3901 0.4928 0.4928 0.5084 0.5084 0.5422 0.5422 0.5671 0.5671 0.6237 0.6237 0.6418 0.6418 0.6617 0.6617 0.6796 0.6796 0.7262 0.7262 0.7712 0.7712 0.7812 0.7812 0.8099 0.8099 0.8302 0.8302 0.8502 0.8502 0.8913 0.8913 0.9002 0.9002 0.9594 0.9594 1.1317 1.1317 2.3103 2.3103 2.5664 2.5664 2.9966 2.9966 4.0991 4.0991 4.3685 4.3685 4.5808 4.5808 4.8808 4.8808 5.6340 5.6340 5.7526 5.7526 6.3668 6.3668 7.0612 7.0612 7.8939 7.8939 8.3338 8.3338 8.6658 8.6658 9.4924 9.4924 9.9558 9.9558 10.1471 10.1471 11.0044 11.0044 11.2306 11.2306 11.9056 11.9056 12.2888 12.2888 k = 0.2000 0.2000-0.0000 ( 6330 PWs) bands (ev): -4.2516 -4.2516 -2.9628 -2.9628 -2.8563 -2.8563 -2.7133 -2.7133 -0.3368 -0.3368 -0.2767 -0.2767 -0.1024 -0.1024 -0.0664 -0.0664 0.0254 0.0254 0.0552 0.0552 0.0660 0.0660 0.1429 0.1429 0.2279 0.2279 0.2870 0.2870 0.3101 0.3101 0.3932 0.3932 0.4989 0.4989 0.5087 0.5087 0.5454 0.5454 0.5685 0.5685 0.6285 0.6285 0.6446 0.6446 0.6628 0.6628 0.6804 0.6804 0.7292 0.7292 0.7737 0.7737 0.7849 0.7849 0.8116 0.8116 0.8343 0.8343 0.8522 0.8522 0.8989 0.8989 0.9064 0.9064 0.9684 0.9684 1.1218 1.1218 2.2731 2.2731 2.5247 2.5247 3.0864 3.0864 4.1141 4.1141 4.3295 4.3295 4.5875 4.5875 4.9489 4.9489 5.6195 5.6195 5.7179 5.7179 6.4598 6.4598 7.1562 7.1562 7.9031 7.9031 8.2637 8.2637 8.5440 8.5440 9.4233 9.4233 9.8566 9.8566 10.0409 10.0409 10.8228 10.8228 11.2279 11.2279 11.8659 11.8659 12.2383 12.2383 k = 0.1875 0.1875-0.0000 ( 6318 PWs) bands (ev): -4.2814 -4.2814 -2.9370 -2.9370 -2.8404 -2.8404 -2.7098 -2.7098 -0.3491 -0.3491 -0.2957 -0.2957 -0.1033 -0.1033 -0.0702 -0.0702 0.0219 0.0219 0.0506 0.0506 0.0602 0.0602 0.1392 0.1392 0.2286 0.2286 0.2921 0.2921 0.3134 0.3134 0.3964 0.3964 0.5044 0.5044 0.5096 0.5096 0.5483 0.5483 0.5698 0.5698 0.6330 0.6330 0.6474 0.6474 0.6641 0.6641 0.6813 0.6813 0.7319 0.7319 0.7760 0.7760 0.7881 0.7881 0.8133 0.8133 0.8382 0.8382 0.8541 0.8541 0.9059 0.9059 0.9127 0.9127 0.9771 0.9771 1.1112 1.1112 2.2376 2.2376 2.4798 2.4798 3.1796 3.1796 4.1283 4.1283 4.2976 4.2976 4.5898 4.5898 5.0153 5.0153 5.6084 5.6084 5.6901 5.6901 6.5565 6.5565 7.2502 7.2502 7.9070 7.9070 8.1918 8.1918 8.4299 8.4299 9.3562 9.3562 9.7617 9.7617 9.9370 9.9370 10.6442 10.6442 11.2295 11.2295 11.8255 11.8255 12.1840 12.1840 k = 0.1750 0.1750-0.0000 ( 6320 PWs) bands (ev): -4.3095 -4.3095 -2.9116 -2.9116 -2.8250 -2.8250 -2.7070 -2.7070 -0.3611 -0.3611 -0.3141 -0.3141 -0.1039 -0.1039 -0.0739 -0.0739 0.0188 0.0188 0.0461 0.0461 0.0547 0.0547 0.1356 0.1356 0.2293 0.2293 0.2962 0.2962 0.3182 0.3182 0.3999 0.3999 0.5075 0.5075 0.5131 0.5131 0.5510 0.5510 0.5711 0.5711 0.6370 0.6370 0.6502 0.6502 0.6655 0.6655 0.6822 0.6822 0.7345 0.7345 0.7779 0.7779 0.7911 0.7911 0.8150 0.8150 0.8417 0.8417 0.8558 0.8558 0.9120 0.9120 0.9191 0.9191 0.9849 0.9849 1.1005 1.1005 2.2038 2.2038 2.4325 2.4325 3.2754 3.2754 4.1417 4.1417 4.2722 4.2722 4.5879 4.5879 5.0801 5.0801 5.6008 5.6008 5.6691 5.6691 6.6567 6.6567 7.3424 7.3424 7.9028 7.9028 8.1179 8.1179 8.3268 8.3268 9.2911 9.2911 9.6712 9.6712 9.8359 9.8359 10.4694 10.4694 11.2352 11.2352 11.7859 11.7859 12.1266 12.1266 k = 0.1625 0.1625-0.0000 ( 6304 PWs) bands (ev): -4.3359 -4.3359 -2.8867 -2.8867 -2.8099 -2.8099 -2.7048 -2.7048 -0.3727 -0.3727 -0.3318 -0.3318 -0.1044 -0.1044 -0.0775 -0.0775 0.0162 0.0162 0.0415 0.0415 0.0498 0.0498 0.1321 0.1321 0.2300 0.2300 0.2991 0.2991 0.3248 0.3248 0.4035 0.4035 0.5087 0.5087 0.5183 0.5183 0.5531 0.5531 0.5727 0.5727 0.6406 0.6406 0.6532 0.6532 0.6669 0.6669 0.6832 0.6832 0.7369 0.7369 0.7794 0.7794 0.7938 0.7938 0.8168 0.8168 0.8450 0.8450 0.8575 0.8575 0.9173 0.9173 0.9255 0.9255 0.9916 0.9916 1.0906 1.0906 2.1718 2.1718 2.3835 2.3835 3.3725 3.3725 4.1542 4.1542 4.2527 4.2527 4.5820 4.5820 5.1432 5.1432 5.5969 5.5969 5.6549 5.6549 6.7598 6.7598 7.4321 7.4321 7.8856 7.8856 8.0421 8.0421 8.2397 8.2397 9.2283 9.2283 9.5854 9.5854 9.7383 9.7383 10.2991 10.2991 11.2449 11.2449 11.7476 11.7476 12.0671 12.0671 k = 0.1500 0.1500-0.0000 ( 6304 PWs) bands (ev): -4.3606 -4.3606 -2.8626 -2.8626 -2.7954 -2.7954 -2.7030 -2.7030 -0.3838 -0.3838 -0.3488 -0.3488 -0.1048 -0.1048 -0.0810 -0.0810 0.0139 0.0139 0.0370 0.0370 0.0453 0.0453 0.1288 0.1288 0.2307 0.2307 0.3009 0.3009 0.3329 0.3329 0.4071 0.4071 0.5097 0.5097 0.5237 0.5237 0.5545 0.5545 0.5747 0.5747 0.6436 0.6436 0.6563 0.6563 0.6683 0.6683 0.6842 0.6842 0.7390 0.7390 0.7801 0.7801 0.7965 0.7965 0.8184 0.8184 0.8481 0.8481 0.8590 0.8590 0.9219 0.9219 0.9317 0.9317 0.9964 0.9964 1.0824 1.0824 2.1416 2.1416 2.3338 2.3338 3.4701 3.4701 4.1655 4.1655 4.2383 4.2383 4.5727 4.5727 5.2047 5.2047 5.5965 5.5965 5.6467 5.6467 6.8655 6.8655 7.5185 7.5185 7.8495 7.8495 7.9646 7.9646 8.1750 8.1750 9.1677 9.1677 9.5047 9.5047 9.6447 9.6447 10.1341 10.1341 11.2582 11.2582 11.7113 11.7113 12.0061 12.0061 k = 0.1375 0.1375-0.0000 ( 6306 PWs) bands (ev): -4.3834 -4.3834 -2.8395 -2.8395 -2.7815 -2.7815 -2.7018 -2.7018 -0.3944 -0.3944 -0.3648 -0.3648 -0.1050 -0.1050 -0.0844 -0.0844 0.0119 0.0119 0.0325 0.0325 0.0413 0.0413 0.1257 0.1257 0.2313 0.2313 0.3018 0.3018 0.3422 0.3422 0.4107 0.4107 0.5107 0.5107 0.5288 0.5288 0.5550 0.5550 0.5775 0.5775 0.6461 0.6461 0.6594 0.6594 0.6697 0.6697 0.6853 0.6853 0.7410 0.7410 0.7801 0.7801 0.7993 0.7993 0.8199 0.8199 0.8509 0.8509 0.8605 0.8605 0.9259 0.9259 0.9376 0.9376 0.9986 0.9986 1.0769 1.0769 2.1134 2.1134 2.2841 2.2841 3.5669 3.5669 4.1757 4.1757 4.2283 4.2283 4.5606 4.5606 5.2647 5.2647 5.5996 5.5996 5.6439 5.6439 6.9733 6.9733 7.6011 7.6011 7.7929 7.7929 7.8858 7.8858 8.1347 8.1347 9.1092 9.1092 9.4292 9.4292 9.5555 9.5555 9.9750 9.9750 11.2749 11.2749 11.6772 11.6772 11.9446 11.9446 k = 0.1250 0.1250-0.0000 ( 6314 PWs) bands (ev): -4.4043 -4.4043 -2.8175 -2.8175 -2.7685 -2.7685 -2.7008 -2.7008 -0.4044 -0.4044 -0.3799 -0.3799 -0.1052 -0.1052 -0.0875 -0.0875 0.0101 0.0101 0.0281 0.0281 0.0378 0.0378 0.1229 0.1229 0.2319 0.2319 0.3023 0.3023 0.3521 0.3521 0.4143 0.4143 0.5119 0.5119 0.5334 0.5334 0.5544 0.5544 0.5811 0.5811 0.6482 0.6482 0.6624 0.6624 0.6710 0.6710 0.6864 0.6864 0.7427 0.7427 0.7793 0.7793 0.8021 0.8021 0.8211 0.8211 0.8535 0.8535 0.8617 0.8617 0.9293 0.9293 0.9430 0.9430 0.9980 0.9980 1.0745 1.0745 2.0872 2.0872 2.2354 2.2354 3.6619 3.6619 4.1845 4.1845 4.2220 4.2220 4.5467 4.5467 5.3231 5.3231 5.6059 5.6059 5.6456 5.6456 7.0825 7.0825 7.6791 7.6791 7.7221 7.7221 7.8065 7.8065 8.1134 8.1134 9.0527 9.0527 9.3592 9.3592 9.4713 9.4713 9.8227 9.8227 11.2944 11.2944 11.6456 11.6456 11.8836 11.8836 k = 0.1125 0.1125-0.0000 ( 6310 PWs) bands (ev): -4.4234 -4.4234 -2.7968 -2.7968 -2.7562 -2.7562 -2.7002 -2.7002 -0.4137 -0.4137 -0.3938 -0.3938 -0.1052 -0.1052 -0.0905 -0.0905 0.0087 0.0087 0.0238 0.0238 0.0347 0.0347 0.1204 0.1204 0.2324 0.2324 0.3025 0.3025 0.3625 0.3625 0.4177 0.4177 0.5133 0.5133 0.5375 0.5375 0.5528 0.5528 0.5856 0.5856 0.6499 0.6499 0.6653 0.6653 0.6723 0.6723 0.6876 0.6876 0.7443 0.7443 0.7776 0.7776 0.8051 0.8051 0.8221 0.8221 0.8559 0.8559 0.8629 0.8629 0.9322 0.9322 0.9480 0.9480 0.9951 0.9951 1.0750 1.0750 2.0630 2.0630 2.1884 2.1884 3.7537 3.7537 4.1920 4.1920 4.2188 4.2188 4.5316 4.5316 5.3799 5.3799 5.6150 5.6150 5.6506 5.6506 7.1922 7.1922 7.6442 7.6442 7.7277 7.7277 7.7530 7.7530 8.1034 8.1034 8.9975 8.9975 9.2950 9.2950 9.3924 9.3924 9.6781 9.6781 11.3162 11.3162 11.6168 11.6168 11.8240 11.8240 k = 0.1000 0.1000-0.0000 ( 6303 PWs) bands (ev): -4.4405 -4.4405 -2.7777 -2.7777 -2.7449 -2.7449 -2.6998 -2.6998 -0.4223 -0.4223 -0.4065 -0.4065 -0.1052 -0.1052 -0.0932 -0.0932 0.0074 0.0074 0.0199 0.0199 0.0320 0.0320 0.1182 0.1182 0.2329 0.2329 0.3025 0.3025 0.3731 0.3731 0.4208 0.4208 0.5148 0.5148 0.5410 0.5410 0.5505 0.5505 0.5909 0.5909 0.6513 0.6513 0.6680 0.6680 0.6735 0.6735 0.6887 0.6887 0.7456 0.7456 0.7752 0.7752 0.8081 0.8081 0.8228 0.8228 0.8581 0.8581 0.8639 0.8639 0.9346 0.9346 0.9525 0.9525 0.9907 0.9907 1.0775 1.0775 2.0411 2.0411 2.1440 2.1440 3.8410 3.8410 4.1981 4.1981 4.2180 4.2180 4.5161 4.5161 5.4349 5.4349 5.6264 5.6264 5.6582 5.6582 7.3000 7.3000 7.5666 7.5666 7.6524 7.6524 7.8207 7.8207 8.0994 8.0994 8.9427 8.9427 9.2367 9.2367 9.3194 9.3194 9.5426 9.5426 11.3393 11.3393 11.5909 11.5909 11.7670 11.7670 k = 0.0875 0.0875-0.0000 ( 6309 PWs) bands (ev): -4.4557 -4.4557 -2.7603 -2.7603 -2.7348 -2.7348 -2.6995 -2.6995 -0.4301 -0.4301 -0.4180 -0.4180 -0.1051 -0.1051 -0.0957 -0.0957 0.0064 0.0064 0.0162 0.0162 0.0297 0.0297 0.1162 0.1162 0.2332 0.2332 0.3025 0.3025 0.3837 0.3837 0.4237 0.4237 0.5164 0.5164 0.5438 0.5438 0.5473 0.5473 0.5966 0.5966 0.6526 0.6526 0.6705 0.6705 0.6746 0.6746 0.6899 0.6899 0.7468 0.7468 0.7720 0.7720 0.8110 0.8110 0.8233 0.8233 0.8600 0.8600 0.8647 0.8647 0.9365 0.9365 0.9564 0.9564 0.9858 0.9858 1.0812 1.0812 2.0214 2.0214 2.1029 2.1029 3.9226 3.9226 4.2029 4.2029 4.2191 4.2191 4.5009 4.5009 5.4878 5.4878 5.6396 5.6396 5.6674 5.6674 7.3969 7.3969 7.4923 7.4923 7.5902 7.5902 7.8825 7.8825 8.0985 8.0985 8.8867 8.8867 9.1845 9.1845 9.2527 9.2527 9.4180 9.4180 11.3625 11.3625 11.5683 11.5683 11.7138 11.7138 k = 0.0750 0.0750-0.0000 ( 6319 PWs) bands (ev): -4.4689 -4.4689 -2.7449 -2.7449 -2.7257 -2.7257 -2.6994 -2.6994 -0.4369 -0.4369 -0.4281 -0.4281 -0.1050 -0.1050 -0.0980 -0.0980 0.0055 0.0055 0.0129 0.0129 0.0277 0.0277 0.1144 0.1144 0.2336 0.2336 0.3023 0.3023 0.3941 0.3941 0.4262 0.4262 0.5180 0.5180 0.5435 0.5435 0.5462 0.5462 0.6027 0.6027 0.6536 0.6536 0.6727 0.6727 0.6756 0.6756 0.6910 0.6910 0.7478 0.7478 0.7684 0.7684 0.8138 0.8138 0.8235 0.8235 0.8617 0.8617 0.8653 0.8653 0.9378 0.9378 0.9598 0.9598 0.9812 0.9812 1.0852 1.0852 2.0041 2.0041 2.0657 2.0657 3.9969 3.9969 4.2067 4.2067 4.2213 4.2213 4.4867 4.4867 5.5378 5.5378 5.6537 5.6537 5.6772 5.6772 7.4230 7.4230 7.4342 7.4342 7.5914 7.5914 7.9378 7.9378 8.0991 8.0991 8.8275 8.8275 9.1386 9.1386 9.1930 9.1930 9.3069 9.3069 11.3842 11.3842 11.5494 11.5494 11.6658 11.6658 k = 0.0625 0.0625-0.0000 ( 6321 PWs) bands (ev): -4.4801 -4.4801 -2.7315 -2.7315 -2.7179 -2.7179 -2.6993 -2.6993 -0.4429 -0.4429 -0.4367 -0.4367 -0.1048 -0.1048 -0.0999 -0.0999 0.0048 0.0048 0.0101 0.0101 0.0260 0.0260 0.1130 0.1130 0.2339 0.2339 0.3021 0.3021 0.4041 0.4041 0.4285 0.4285 0.5195 0.5195 0.5394 0.5394 0.5480 0.5480 0.6087 0.6087 0.6545 0.6545 0.6745 0.6745 0.6765 0.6765 0.6920 0.6920 0.7487 0.7487 0.7644 0.7644 0.8163 0.8163 0.8236 0.8236 0.8632 0.8632 0.8658 0.8658 0.9387 0.9387 0.9627 0.9627 0.9773 0.9773 1.0892 1.0892 1.9893 1.9893 2.0331 2.0331 4.0627 4.0627 4.2097 4.2097 4.2239 4.2239 4.4739 4.4739 5.5843 5.5843 5.6679 5.6679 5.6871 5.6871 7.3622 7.3622 7.3907 7.3907 7.6769 7.6769 7.9860 7.9860 8.1005 8.1005 8.7623 8.7623 9.0989 9.0989 9.1408 9.1408 9.2123 9.2123 11.4023 11.4023 11.5354 11.5354 11.6244 11.6244 k = 0.0500 0.0500-0.0000 ( 6313 PWs) bands (ev): -4.4892 -4.4892 -2.7204 -2.7204 -2.7114 -2.7114 -2.6993 -2.6993 -0.4478 -0.4478 -0.4439 -0.4439 -0.1047 -0.1047 -0.1015 -0.1015 0.0042 0.0042 0.0077 0.0077 0.0247 0.0247 0.1119 0.1119 0.2342 0.2342 0.3019 0.3019 0.4134 0.4134 0.4303 0.4303 0.5209 0.5209 0.5350 0.5350 0.5494 0.5494 0.6144 0.6144 0.6553 0.6553 0.6761 0.6761 0.6773 0.6773 0.6928 0.6928 0.7493 0.7493 0.7603 0.7603 0.8186 0.8186 0.8235 0.8235 0.8645 0.8645 0.8662 0.8662 0.9392 0.9392 0.9650 0.9650 0.9741 0.9741 1.0927 1.0927 1.9770 1.9770 2.0057 2.0057 4.1184 4.1184 4.2122 4.2122 4.2265 4.2265 4.4628 4.4628 5.6259 5.6259 5.6812 5.6812 5.6965 5.6965 7.3100 7.3100 7.3346 7.3346 7.7810 7.7810 8.0265 8.0265 8.1023 8.1023 8.6892 8.6892 9.0652 9.0652 9.0970 9.0970 9.1371 9.1371 11.4141 11.4141 11.5275 11.5275 11.5904 11.5904 k = 0.0375 0.0375-0.0000 ( 6323 PWs) bands (ev): -4.4964 -4.4964 -2.7119 -2.7119 -2.7062 -2.7062 -2.6992 -2.6992 -0.4517 -0.4517 -0.4495 -0.4495 -0.1046 -0.1046 -0.1028 -0.1028 0.0038 0.0038 0.0058 0.0058 0.0237 0.0237 0.1109 0.1109 0.2344 0.2344 0.3017 0.3017 0.4215 0.4215 0.4317 0.4317 0.5220 0.5220 0.5307 0.5307 0.5504 0.5504 0.6194 0.6194 0.6561 0.6561 0.6773 0.6773 0.6780 0.6780 0.6935 0.6935 0.7499 0.7499 0.7565 0.7565 0.8205 0.8205 0.8234 0.8234 0.8654 0.8654 0.8664 0.8664 0.9395 0.9395 0.9668 0.9668 0.9718 0.9718 1.0957 1.0957 1.9674 1.9674 1.9838 1.9838 4.1628 4.1628 4.2143 4.2143 4.2291 4.2291 4.4539 4.4539 5.6608 5.6608 5.6925 5.6925 5.7049 5.7049 7.2678 7.2678 7.2842 7.2842 7.8858 7.8858 8.0584 8.0584 8.1046 8.1046 8.6087 8.6087 9.0370 9.0370 9.0627 9.0627 9.0824 9.0824 11.4185 11.4185 11.5260 11.5260 11.5647 11.5647 k = 0.0250 0.0250-0.0000 ( 6323 PWs) bands (ev): -4.5015 -4.5015 -2.7061 -2.7061 -2.7022 -2.7022 -2.6990 -2.6990 -0.4545 -0.4545 -0.4535 -0.4535 -0.1045 -0.1045 -0.1037 -0.1037 0.0035 0.0035 0.0044 0.0044 0.0230 0.0230 0.1103 0.1103 0.2345 0.2345 0.3015 0.3015 0.4279 0.4279 0.4328 0.4328 0.5229 0.5229 0.5271 0.5271 0.5511 0.5511 0.6233 0.6233 0.6567 0.6567 0.6782 0.6782 0.6785 0.6785 0.6941 0.6941 0.7502 0.7502 0.7534 0.7534 0.8219 0.8219 0.8232 0.8232 0.8661 0.8661 0.8665 0.8665 0.9395 0.9395 0.9681 0.9681 0.9703 0.9703 1.0979 1.0979 1.9605 1.9605 1.9679 1.9679 4.1944 4.1944 4.2158 4.2158 4.2318 4.2318 4.4474 4.4474 5.6871 5.6871 5.7008 5.7008 5.7123 5.7123 7.2368 7.2368 7.2449 7.2449 7.9842 7.9842 8.0809 8.0809 8.1079 8.1079 8.5257 8.5257 9.0141 9.0141 9.0389 9.0389 9.0468 9.0468 11.4175 11.4175 11.5287 11.5287 11.5470 11.5470 k = 0.0125 0.0125-0.0000 ( 6343 PWs) bands (ev): -4.5046 -4.5046 -2.7032 -2.7032 -2.6994 -2.6994 -2.6986 -2.6986 -0.4562 -0.4562 -0.4560 -0.4560 -0.1047 -0.1047 -0.1044 -0.1044 0.0034 0.0034 0.0036 0.0036 0.0225 0.0225 0.1097 0.1097 0.2346 0.2346 0.3015 0.3015 0.4321 0.4321 0.4334 0.4334 0.5235 0.5235 0.5246 0.5246 0.5515 0.5515 0.6258 0.6258 0.6571 0.6571 0.6788 0.6788 0.6788 0.6788 0.6944 0.6944 0.7504 0.7504 0.7512 0.7512 0.8228 0.8228 0.8231 0.8231 0.8663 0.8663 0.8665 0.8665 0.9395 0.9395 0.9689 0.9689 0.9694 0.9694 1.0992 1.0992 1.9563 1.9563 1.9582 1.9582 4.2121 4.2121 4.2167 4.2167 4.2351 4.2351 4.4435 4.4435 5.7027 5.7027 5.7058 5.7058 5.7184 5.7184 7.2178 7.2178 7.2199 7.2199 8.0612 8.0612 8.0970 8.0970 8.1122 8.1122 8.4526 8.4526 8.9988 8.9988 9.0254 9.0254 9.0272 9.0272 11.4149 11.4149 11.5321 11.5321 11.5368 11.5368 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -4.5056 -4.5056 -2.7025 -2.7025 -2.6983 -2.6983 -2.6983 -2.6983 -0.4568 -0.4568 -0.4568 -0.4568 -0.1047 -0.1047 -0.1047 -0.1047 0.0033 0.0033 0.0033 0.0033 0.0223 0.0223 0.1095 0.1095 0.2346 0.2346 0.3014 0.3014 0.4336 0.4336 0.4336 0.4336 0.5237 0.5237 0.5237 0.5237 0.5517 0.5517 0.6266 0.6266 0.6573 0.6573 0.6789 0.6789 0.6789 0.6789 0.6945 0.6945 0.7505 0.7505 0.7505 0.7505 0.8231 0.8231 0.8231 0.8231 0.8664 0.8664 0.8664 0.8664 0.9395 0.9395 0.9692 0.9692 0.9692 0.9692 1.0997 1.0997 1.9549 1.9549 1.9549 1.9549 4.2170 4.2170 4.2170 4.2170 4.2372 4.2372 4.4421 4.4421 5.7074 5.7074 5.7074 5.7074 5.7212 5.7212 7.2114 7.2114 7.2114 7.2114 8.0828 8.0828 8.1144 8.1144 8.1144 8.1144 8.4192 8.4192 8.9933 8.9933 9.0210 9.0210 9.0210 9.0210 11.4137 11.4137 11.5335 11.5335 11.5335 11.5335 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -4.5056 -4.5056 -2.7025 -2.7025 -2.6983 -2.6983 -2.6983 -2.6983 -0.4568 -0.4568 -0.4568 -0.4568 -0.1047 -0.1047 -0.1047 -0.1047 0.0033 0.0033 0.0033 0.0033 0.0223 0.0223 0.1095 0.1095 0.2346 0.2346 0.3014 0.3014 0.4336 0.4336 0.4336 0.4336 0.5237 0.5237 0.5237 0.5237 0.5517 0.5517 0.6266 0.6266 0.6573 0.6573 0.6789 0.6789 0.6789 0.6789 0.6945 0.6945 0.7505 0.7505 0.7505 0.7505 0.8231 0.8231 0.8231 0.8231 0.8664 0.8664 0.8664 0.8664 0.9395 0.9395 0.9692 0.9692 0.9692 0.9692 1.0997 1.0997 1.9549 1.9549 1.9549 1.9549 4.2170 4.2170 4.2170 4.2170 4.2372 4.2372 4.4421 4.4421 5.7074 5.7074 5.7074 5.7074 5.7212 5.7212 7.2114 7.2114 7.2114 7.2114 8.0828 8.0828 8.1144 8.1144 8.1144 8.1144 8.4192 8.4192 8.9933 8.9933 9.0210 9.0210 9.0210 9.0210 11.4137 11.4137 11.5335 11.5335 11.5335 11.5335 k = 0.0104 0.0104 0.0104 ( 6346 PWs) bands (ev): -4.5046 -4.5046 -2.7032 -2.7032 -2.6992 -2.6992 -2.6988 -2.6988 -0.4561 -0.4561 -0.4561 -0.4561 -0.1046 -0.1046 -0.1045 -0.1045 0.0035 0.0035 0.0036 0.0036 0.0225 0.0225 0.1097 0.1097 0.2346 0.2346 0.3015 0.3015 0.4320 0.4320 0.4334 0.4334 0.5235 0.5235 0.5246 0.5246 0.5515 0.5515 0.6258 0.6258 0.6571 0.6571 0.6788 0.6788 0.6788 0.6788 0.6944 0.6944 0.7503 0.7503 0.7513 0.7513 0.8229 0.8229 0.8230 0.8230 0.8663 0.8663 0.8664 0.8664 0.9395 0.9395 0.9692 0.9692 0.9692 0.9692 1.0992 1.0992 1.9573 1.9573 1.9573 1.9573 4.2123 4.2123 4.2162 4.2162 4.2352 4.2352 4.4435 4.4435 5.7027 5.7027 5.7056 5.7056 5.7183 5.7183 7.2191 7.2191 7.2192 7.2192 8.0590 8.0590 8.0973 8.0973 8.1126 8.1126 8.4537 8.4537 8.9990 8.9990 9.0259 9.0259 9.0271 9.0271 11.4150 11.4150 11.5327 11.5327 11.5362 11.5362 k = 0.0208 0.0208 0.0208 ( 6322 PWs) bands (ev): -4.5014 -4.5014 -2.7055 -2.7055 -2.7019 -2.7019 -2.7002 -2.7002 -0.4539 -0.4539 -0.4539 -0.4539 -0.1041 -0.1041 -0.1041 -0.1041 0.0038 0.0038 0.0042 0.0042 0.0230 0.0230 0.1103 0.1103 0.2345 0.2345 0.3016 0.3016 0.4276 0.4276 0.4329 0.4329 0.5229 0.5229 0.5271 0.5271 0.5511 0.5511 0.6232 0.6232 0.6567 0.6567 0.6782 0.6782 0.6784 0.6784 0.6940 0.6940 0.7500 0.7500 0.7537 0.7537 0.8224 0.8224 0.8228 0.8228 0.8661 0.8661 0.8665 0.8665 0.9395 0.9395 0.9691 0.9691 0.9693 0.9693 1.0978 1.0978 1.9645 1.9645 1.9647 1.9647 4.1981 4.1981 4.2075 4.2075 4.2352 4.2352 4.4476 4.4476 5.6870 5.6870 5.7004 5.7004 5.7116 5.7116 7.2419 7.2419 7.2421 7.2421 7.9754 7.9754 8.0872 8.0872 8.1072 8.1072 8.5271 8.5271 9.0160 9.0160 9.0406 9.0406 9.0464 9.0464 11.4184 11.4184 11.5309 11.5309 11.5444 11.5444 k = 0.0312 0.0312 0.0312 ( 6319 PWs) bands (ev): -4.4960 -4.4960 -2.7096 -2.7096 -2.7064 -2.7064 -2.7021 -2.7021 -0.4504 -0.4504 -0.4503 -0.4503 -0.1037 -0.1037 -0.1036 -0.1036 0.0044 0.0044 0.0053 0.0053 0.0237 0.0237 0.1109 0.1109 0.2344 0.2344 0.3017 0.3017 0.4207 0.4207 0.4320 0.4320 0.5221 0.5221 0.5308 0.5308 0.5505 0.5505 0.6191 0.6191 0.6561 0.6561 0.6774 0.6774 0.6778 0.6778 0.6935 0.6935 0.7494 0.7494 0.7571 0.7571 0.8214 0.8214 0.8224 0.8224 0.8654 0.8654 0.8664 0.8664 0.9396 0.9396 0.9691 0.9691 0.9693 0.9693 1.0954 1.0954 1.9763 1.9763 1.9767 1.9767 4.1748 4.1748 4.1860 4.1860 4.2426 4.2426 4.4543 4.4543 5.6595 5.6595 5.6928 5.6928 5.7035 5.7035 7.2782 7.2782 7.2788 7.2788 7.8686 7.8686 8.0777 8.0777 8.0985 8.0985 8.6072 8.6072 9.0435 9.0435 9.0652 9.0652 9.0819 9.0819 11.4222 11.4222 11.5303 11.5303 11.5579 11.5579 k = 0.0417 0.0417 0.0417 ( 6319 PWs) bands (ev): -4.4886 -4.4886 -2.7155 -2.7155 -2.7125 -2.7125 -2.7045 -2.7045 -0.4455 -0.4455 -0.4453 -0.4453 -0.1032 -0.1032 -0.1030 -0.1030 0.0053 0.0053 0.0069 0.0069 0.0248 0.0248 0.1119 0.1119 0.2342 0.2342 0.3019 0.3019 0.4122 0.4122 0.4307 0.4307 0.5208 0.5208 0.5350 0.5350 0.5495 0.5495 0.6140 0.6140 0.6555 0.6555 0.6763 0.6763 0.6768 0.6768 0.6928 0.6928 0.7486 0.7486 0.7613 0.7613 0.8202 0.8202 0.8219 0.8219 0.8644 0.8644 0.8661 0.8661 0.9397 0.9397 0.9690 0.9690 0.9694 0.9694 1.0922 1.0922 1.9926 1.9926 1.9933 1.9933 4.1428 4.1428 4.1543 4.1543 4.2552 4.2552 4.4634 4.4634 5.6215 5.6215 5.6841 5.6841 5.6949 5.6949 7.3259 7.3259 7.3270 7.3270 7.7526 7.7526 8.0658 8.0658 8.0869 8.0869 8.6801 8.6801 9.0803 9.0803 9.0996 9.0996 9.1370 9.1370 11.4237 11.4237 11.5341 11.5341 11.5765 11.5765 k = 0.0521 0.0521 0.0521 ( 6319 PWs) bands (ev): -4.4790 -4.4790 -2.7231 -2.7231 -2.7202 -2.7202 -2.7074 -2.7074 -0.4393 -0.4393 -0.4389 -0.4389 -0.1025 -0.1025 -0.1021 -0.1021 0.0064 0.0064 0.0089 0.0089 0.0261 0.0261 0.1130 0.1130 0.2339 0.2339 0.3021 0.3021 0.4025 0.4025 0.4291 0.4291 0.5193 0.5193 0.5393 0.5393 0.5483 0.5483 0.6081 0.6081 0.6549 0.6549 0.6750 0.6750 0.6757 0.6757 0.6918 0.6918 0.7474 0.7474 0.7657 0.7657 0.8186 0.8186 0.8213 0.8213 0.8631 0.8631 0.8657 0.8657 0.9397 0.9397 0.9688 0.9688 0.9694 0.9694 1.0882 1.0882 2.0132 2.0132 2.0143 2.0143 4.1029 4.1029 4.1142 4.1142 4.2719 4.2719 4.4743 4.4743 5.5747 5.5747 5.6757 5.6757 5.6868 5.6868 7.3825 7.3825 7.3843 7.3843 7.6314 7.6314 8.0521 8.0521 8.0731 8.0731 8.7406 8.7406 9.1263 9.1263 9.1440 9.1440 9.2133 9.2133 11.4206 11.4206 11.5454 11.5454 11.6000 11.6000 k = 0.0625 0.0625 0.0625 ( 6307 PWs) bands (ev): -4.4674 -4.4674 -2.7323 -2.7323 -2.7296 -2.7296 -2.7109 -2.7109 -0.4318 -0.4318 -0.4313 -0.4313 -0.1016 -0.1016 -0.1010 -0.1010 0.0077 0.0077 0.0113 0.0113 0.0278 0.0278 0.1146 0.1146 0.2336 0.2336 0.3024 0.3024 0.3921 0.3921 0.4272 0.4272 0.5175 0.5175 0.5434 0.5434 0.5468 0.5468 0.6019 0.6019 0.6543 0.6543 0.6734 0.6734 0.6744 0.6744 0.6908 0.6908 0.7461 0.7461 0.7701 0.7701 0.8168 0.8168 0.8206 0.8206 0.8615 0.8615 0.8651 0.8651 0.9396 0.9396 0.9685 0.9685 0.9692 0.9692 1.0834 1.0834 2.0379 2.0379 2.0394 2.0394 4.0559 4.0559 4.0668 4.0668 4.2924 4.2924 4.4865 4.4865 5.5205 5.5205 5.6688 5.6688 5.6804 5.6804 7.4451 7.4451 7.4479 7.4479 7.5069 7.5069 8.0373 8.0373 8.0581 8.0581 8.7881 8.7881 9.1818 9.1818 9.1984 9.1984 9.3084 9.3084 11.4129 11.4129 11.5650 11.5650 11.6280 11.6280 k = 0.0729 0.0729 0.0729 ( 6301 PWs) bands (ev): -4.4536 -4.4536 -2.7431 -2.7431 -2.7403 -2.7403 -2.7149 -2.7149 -0.4231 -0.4231 -0.4224 -0.4224 -0.1005 -0.1005 -0.0998 -0.0998 0.0093 0.0093 0.0142 0.0142 0.0297 0.0297 0.1163 0.1163 0.2333 0.2333 0.3027 0.3027 0.3812 0.3812 0.4249 0.4249 0.5155 0.5155 0.5450 0.5450 0.5470 0.5470 0.5957 0.5957 0.6537 0.6537 0.6716 0.6716 0.6727 0.6727 0.6897 0.6897 0.7446 0.7446 0.7741 0.7741 0.8147 0.8147 0.8200 0.8200 0.8596 0.8596 0.8643 0.8643 0.9394 0.9394 0.9681 0.9681 0.9688 0.9688 1.0780 1.0780 2.0660 2.0660 2.0680 2.0680 4.0031 4.0031 4.0134 4.0134 4.3165 4.3165 4.4991 4.4991 5.4611 5.4611 5.6644 5.6644 5.6765 5.6765 7.3794 7.3794 7.5109 7.5109 7.5146 7.5146 8.0226 8.0226 8.0429 8.0429 8.8252 8.8252 9.2472 9.2472 9.2630 9.2630 9.4180 9.4180 11.4026 11.4026 11.5918 11.5918 11.6602 11.6602 k = 0.0833 0.0833 0.0833 ( 6307 PWs) bands (ev): -4.4378 -4.4378 -2.7551 -2.7551 -2.7525 -2.7525 -2.7194 -2.7194 -0.4133 -0.4133 -0.4123 -0.4123 -0.0993 -0.0993 -0.0984 -0.0984 0.0111 0.0111 0.0174 0.0174 0.0319 0.0319 0.1183 0.1183 0.2329 0.2329 0.3029 0.3029 0.3701 0.3701 0.4223 0.4223 0.5133 0.5133 0.5428 0.5428 0.5501 0.5501 0.5897 0.5897 0.6530 0.6530 0.6696 0.6696 0.6709 0.6709 0.6884 0.6884 0.7427 0.7427 0.7776 0.7776 0.8123 0.8123 0.8194 0.8194 0.8574 0.8574 0.8634 0.8634 0.9390 0.9390 0.9675 0.9675 0.9681 0.9681 1.0721 1.0721 2.0973 2.0973 2.0998 2.0998 3.9456 3.9456 3.9552 3.9552 4.3443 4.3443 4.5108 4.5108 5.3986 5.3986 5.6632 5.6632 5.6759 5.6759 7.2502 7.2502 7.5758 7.5758 7.5812 7.5812 8.0102 8.0102 8.0295 8.0295 8.8544 8.8544 9.3227 9.3227 9.3380 9.3380 9.5380 9.5380 11.3923 11.3923 11.6244 11.6244 11.6960 11.6960 k = 0.0938 0.0937 0.0937 ( 6307 PWs) bands (ev): -4.4201 -4.4201 -2.7684 -2.7684 -2.7659 -2.7659 -2.7244 -2.7244 -0.4024 -0.4024 -0.4011 -0.4011 -0.0978 -0.0978 -0.0968 -0.0968 0.0131 0.0131 0.0210 0.0210 0.0344 0.0344 0.1206 0.1206 0.2324 0.2324 0.3031 0.3031 0.3590 0.3590 0.4196 0.4196 0.5111 0.5111 0.5403 0.5403 0.5525 0.5525 0.5841 0.5841 0.6522 0.6522 0.6673 0.6673 0.6688 0.6688 0.6871 0.6871 0.7407 0.7407 0.7805 0.7805 0.8098 0.8098 0.8188 0.8188 0.8549 0.8549 0.8622 0.8622 0.9383 0.9383 0.9667 0.9667 0.9671 0.9671 1.0657 1.0657 2.1309 2.1309 2.1340 2.1340 3.8850 3.8850 3.8940 3.8940 4.3754 4.3754 4.5196 4.5196 5.3360 5.3360 5.6655 5.6655 5.6787 5.6787 7.1193 7.1193 7.6354 7.6354 7.6431 7.6431 8.0034 8.0034 8.0208 8.0208 8.8777 8.8777 9.4085 9.4085 9.4234 9.4234 9.6650 9.6650 11.3840 11.3840 11.6614 11.6614 11.7350 11.7350 k = 0.1042 0.1042 0.1042 ( 6310 PWs) bands (ev): -4.4003 -4.4003 -2.7829 -2.7829 -2.7804 -2.7804 -2.7300 -2.7300 -0.3906 -0.3906 -0.3890 -0.3890 -0.0961 -0.0961 -0.0949 -0.0949 0.0153 0.0153 0.0250 0.0250 0.0371 0.0371 0.1231 0.1231 0.2320 0.2320 0.3033 0.3033 0.3480 0.3480 0.4165 0.4165 0.5089 0.5089 0.5373 0.5373 0.5543 0.5543 0.5791 0.5791 0.6513 0.6513 0.6649 0.6649 0.6664 0.6664 0.6858 0.6858 0.7385 0.7385 0.7826 0.7826 0.8071 0.8071 0.8183 0.8183 0.8521 0.8521 0.8609 0.8609 0.9371 0.9371 0.9656 0.9656 0.9657 0.9657 1.0591 1.0591 2.1661 2.1661 2.1699 2.1699 3.8231 3.8231 3.8312 3.8312 4.4099 4.4099 4.5228 4.5228 5.2766 5.2766 5.6716 5.6716 5.6853 5.6853 6.9873 6.9873 7.6838 7.6838 7.6949 7.6949 8.0069 8.0069 8.0214 8.0214 8.8961 8.8961 9.5046 9.5046 9.5192 9.5192 9.7966 9.7966 11.3798 11.3798 11.7019 11.7019 11.7767 11.7767 k = 0.1146 0.1146 0.1146 ( 6310 PWs) bands (ev): -4.3785 -4.3785 -2.7983 -2.7983 -2.7958 -2.7958 -2.7359 -2.7359 -0.3778 -0.3778 -0.3759 -0.3759 -0.0941 -0.0941 -0.0928 -0.0928 0.0177 0.0177 0.0294 0.0294 0.0401 0.0401 0.1259 0.1259 0.2316 0.2316 0.3033 0.3033 0.3373 0.3373 0.4134 0.4134 0.5068 0.5068 0.5340 0.5340 0.5554 0.5554 0.5747 0.5747 0.6502 0.6502 0.6623 0.6623 0.6638 0.6638 0.6845 0.6845 0.7360 0.7360 0.7839 0.7839 0.8043 0.8043 0.8178 0.8178 0.8491 0.8491 0.8594 0.8594 0.9355 0.9355 0.9639 0.9639 0.9643 0.9643 1.0524 1.0524 2.2018 2.2018 2.2062 2.2062 3.7615 3.7615 3.7689 3.7689 4.4476 4.4476 4.5170 4.5170 5.2245 5.2245 5.6815 5.6815 5.6956 5.6956 6.8547 6.8547 7.7149 7.7149 7.7301 7.7301 8.0262 8.0262 8.0371 8.0371 8.9103 8.9103 9.6109 9.6109 9.6253 9.6253 9.9308 9.9308 11.3813 11.3813 11.7449 11.7449 11.8204 11.8204 k = 0.1250 0.1250 0.1250 ( 6319 PWs) bands (ev): -4.3549 -4.3549 -2.8146 -2.8146 -2.8122 -2.8122 -2.7422 -2.7422 -0.3643 -0.3643 -0.3620 -0.3620 -0.0918 -0.0918 -0.0906 -0.0906 0.0204 0.0204 0.0340 0.0340 0.0433 0.0433 0.1289 0.1289 0.2311 0.2311 0.3033 0.3033 0.3269 0.3269 0.4100 0.4100 0.5049 0.5049 0.5302 0.5302 0.5559 0.5559 0.5708 0.5708 0.6490 0.6490 0.6596 0.6596 0.6609 0.6609 0.6832 0.6832 0.7334 0.7334 0.7843 0.7843 0.8015 0.8015 0.8175 0.8175 0.8458 0.8458 0.8577 0.8577 0.9332 0.9332 0.9617 0.9617 0.9627 0.9627 1.0458 1.0458 2.2365 2.2365 2.2417 2.2417 3.7025 3.7025 3.7090 3.7090 4.4877 4.4877 4.4989 4.4989 5.1843 5.1843 5.6949 5.6949 5.7094 5.7094 6.7221 6.7221 7.7267 7.7267 7.7454 7.7454 8.0630 8.0630 8.0707 8.0707 8.9208 8.9208 9.7270 9.7270 9.7414 9.7414 10.0658 10.0658 11.3902 11.3902 11.7899 11.7899 11.8654 11.8654 k = 0.1354 0.1354 0.1354 ( 6310 PWs) bands (ev): -4.3294 -4.3294 -2.8316 -2.8316 -2.8292 -2.8292 -2.7489 -2.7489 -0.3500 -0.3500 -0.3473 -0.3473 -0.0892 -0.0892 -0.0879 -0.0879 0.0233 0.0233 0.0390 0.0390 0.0466 0.0466 0.1323 0.1323 0.2307 0.2307 0.3032 0.3032 0.3170 0.3170 0.4067 0.4067 0.5032 0.5032 0.5261 0.5261 0.5558 0.5558 0.5674 0.5674 0.6475 0.6475 0.6569 0.6569 0.6578 0.6578 0.6819 0.6819 0.7305 0.7305 0.7840 0.7840 0.7986 0.7986 0.8171 0.8171 0.8423 0.8423 0.8559 0.8559 0.9303 0.9303 0.9591 0.9591 0.9606 0.9606 1.0396 1.0396 2.2686 2.2686 2.2746 2.2746 3.6483 3.6483 3.6539 3.6539 4.4629 4.4629 4.5326 4.5326 5.1592 5.1592 5.7118 5.7118 5.7266 5.7266 6.5900 6.5900 7.7230 7.7230 7.7440 7.7440 8.1132 8.1132 8.1189 8.1189 8.9276 8.9276 9.8524 9.8524 9.8670 9.8670 10.2000 10.2000 11.4083 11.4083 11.8359 11.8359 11.9111 11.9111 k = 0.1458 0.1458 0.1458 ( 6316 PWs) bands (ev): -4.3021 -4.3021 -2.8492 -2.8492 -2.8469 -2.8469 -2.7560 -2.7560 -0.3351 -0.3351 -0.3319 -0.3319 -0.0863 -0.0863 -0.0852 -0.0852 0.0263 0.0263 0.0443 0.0443 0.0501 0.0501 0.1357 0.1357 0.2304 0.2304 0.3029 0.3029 0.3075 0.3075 0.4035 0.4035 0.5018 0.5018 0.5217 0.5217 0.5551 0.5551 0.5645 0.5645 0.6457 0.6457 0.6543 0.6543 0.6545 0.6545 0.6807 0.6807 0.7275 0.7275 0.7829 0.7829 0.7957 0.7957 0.8168 0.8168 0.8387 0.8387 0.8539 0.8539 0.9266 0.9266 0.9559 0.9559 0.9580 0.9580 1.0338 1.0338 2.2961 2.2961 2.3029 2.3029 3.6016 3.6016 3.6062 3.6062 4.4110 4.4110 4.5792 4.5792 5.1502 5.1502 5.7320 5.7320 5.7469 5.7469 6.4593 6.4593 7.7095 7.7095 7.7316 7.7316 8.1713 8.1713 8.1759 8.1759 8.9308 8.9308 9.9865 9.9865 10.0016 10.0016 10.3312 10.3312 11.4376 11.4376 11.8824 11.8824 11.9568 11.9568 k = 0.1562 0.1562 0.1562 ( 6319 PWs) bands (ev): -4.2730 -4.2730 -2.8672 -2.8672 -2.8650 -2.8650 -2.7632 -2.7632 -0.3196 -0.3196 -0.3160 -0.3160 -0.0830 -0.0830 -0.0822 -0.0822 0.0296 0.0296 0.0498 0.0498 0.0538 0.0538 0.1394 0.1394 0.2302 0.2302 0.2986 0.2986 0.3025 0.3025 0.4003 0.4003 0.5006 0.5006 0.5172 0.5172 0.5539 0.5539 0.5619 0.5619 0.6434 0.6434 0.6509 0.6509 0.6519 0.6519 0.6794 0.6794 0.7243 0.7243 0.7811 0.7811 0.7928 0.7928 0.8165 0.8165 0.8349 0.8349 0.8518 0.8518 0.9221 0.9221 0.9524 0.9524 0.9548 0.9548 1.0288 1.0288 2.3168 2.3168 2.3244 2.3244 3.5649 3.5649 3.5685 3.5685 4.3435 4.3435 4.6287 4.6287 5.1557 5.1557 5.7550 5.7550 5.7702 5.7702 6.3310 6.3310 7.6903 7.6903 7.7129 7.7129 8.2332 8.2332 8.2374 8.2374 8.9307 8.9307 10.1284 10.1284 10.1442 10.1442 10.4577 10.4577 11.4800 11.4800 11.9286 11.9286 12.0019 12.0019 k = 0.1667 0.1667 0.1667 ( 6298 PWs) bands (ev): -4.2423 -4.2423 -2.8856 -2.8856 -2.8834 -2.8834 -2.7708 -2.7708 -0.3037 -0.3037 -0.2995 -0.2995 -0.0793 -0.0793 -0.0789 -0.0789 0.0332 0.0332 0.0556 0.0556 0.0577 0.0577 0.1431 0.1431 0.2301 0.2301 0.2903 0.2903 0.3019 0.3019 0.3974 0.3974 0.4997 0.4997 0.5126 0.5126 0.5522 0.5522 0.5595 0.5595 0.6408 0.6408 0.6471 0.6471 0.6497 0.6497 0.6783 0.6783 0.7211 0.7211 0.7787 0.7787 0.7898 0.7898 0.8162 0.8162 0.8310 0.8310 0.8496 0.8496 0.9169 0.9169 0.9485 0.9485 0.9510 0.9510 1.0246 1.0246 2.3283 2.3283 2.3367 2.3367 3.5411 3.5411 3.5437 3.5437 4.2631 4.2631 4.6808 4.6808 5.1721 5.1721 5.7808 5.7808 5.7960 5.7960 6.2064 6.2064 7.6680 7.6680 7.6907 7.6907 8.2969 8.2969 8.3008 8.3008 8.9272 8.9272 10.2772 10.2772 10.2942 10.2942 10.5772 10.5772 11.5373 11.5373 11.9739 11.9739 12.0455 12.0455 k = 0.1771 0.1771 0.1771 ( 6319 PWs) bands (ev): -4.2099 -4.2099 -2.9043 -2.9043 -2.9022 -2.9022 -2.7785 -2.7785 -0.2874 -0.2874 -0.2826 -0.2826 -0.0754 -0.0754 -0.0752 -0.0752 0.0370 0.0370 0.0615 0.0615 0.0616 0.0616 0.1469 0.1469 0.2303 0.2303 0.2826 0.2826 0.3011 0.3011 0.3946 0.3946 0.4988 0.4988 0.5082 0.5082 0.5499 0.5499 0.5573 0.5573 0.6376 0.6376 0.6430 0.6430 0.6477 0.6477 0.6770 0.6770 0.7176 0.7176 0.7760 0.7760 0.7865 0.7865 0.8157 0.8157 0.8270 0.8270 0.8473 0.8473 0.9108 0.9108 0.9442 0.9442 0.9463 0.9463 1.0214 1.0214 2.3287 2.3287 2.3379 2.3379 3.5322 3.5322 3.5339 3.5339 4.1731 4.1731 4.7354 4.7354 5.1949 5.1949 5.8090 5.8090 5.8243 5.8243 6.0877 6.0877 7.6442 7.6442 7.6667 7.6667 8.3610 8.3610 8.3649 8.3649 8.9206 8.9206 10.4318 10.4318 10.4504 10.4504 10.6884 10.6884 11.6111 11.6111 12.0180 12.0180 12.0872 12.0872 k = 0.1875 0.1875 0.1875 ( 6301 PWs) bands (ev): -4.1760 -4.1760 -2.9231 -2.9231 -2.9210 -2.9210 -2.7863 -2.7863 -0.2707 -0.2707 -0.2653 -0.2653 -0.0716 -0.0716 -0.0707 -0.0707 0.0411 0.0411 0.0657 0.0657 0.0677 0.0677 0.1508 0.1508 0.2307 0.2307 0.2756 0.2756 0.3003 0.3003 0.3921 0.3921 0.4973 0.4973 0.5047 0.5047 0.5474 0.5474 0.5552 0.5552 0.6342 0.6342 0.6387 0.6387 0.6460 0.6460 0.6758 0.6758 0.7140 0.7140 0.7730 0.7730 0.7830 0.7830 0.8151 0.8151 0.8230 0.8230 0.8451 0.8451 0.9040 0.9040 0.9396 0.9396 0.9410 0.9410 1.0191 1.0191 2.3171 2.3171 2.3268 2.3268 3.5398 3.5398 3.5407 3.5407 4.0757 4.0757 4.7924 4.7924 5.2189 5.2189 5.8393 5.8393 5.8546 5.8546 5.9782 5.9782 7.6198 7.6198 7.6420 7.6420 8.4251 8.4251 8.4289 8.4289 8.9110 8.9110 10.5909 10.5909 10.6116 10.6116 10.7902 10.7902 11.7018 11.7018 12.0604 12.0604 12.1264 12.1264 k = 0.1979 0.1979 0.1979 ( 6313 PWs) bands (ev): -4.1407 -4.1407 -2.9419 -2.9419 -2.9399 -2.9399 -2.7942 -2.7942 -0.2539 -0.2539 -0.2478 -0.2478 -0.0675 -0.0675 -0.0657 -0.0657 0.0455 0.0455 0.0698 0.0698 0.0740 0.0740 0.1546 0.1546 0.2313 0.2313 0.2692 0.2692 0.2993 0.2993 0.3899 0.3899 0.4942 0.4942 0.5031 0.5031 0.5445 0.5445 0.5532 0.5532 0.6305 0.6305 0.6342 0.6342 0.6443 0.6443 0.6744 0.6744 0.7104 0.7104 0.7698 0.7698 0.7792 0.7792 0.8143 0.8143 0.8189 0.8189 0.8428 0.8428 0.8964 0.8964 0.9346 0.9346 0.9351 0.9351 1.0176 1.0176 2.2934 2.2934 2.3034 2.3034 3.5638 3.5638 3.5641 3.5641 3.9730 3.9730 4.8516 4.8516 5.2369 5.2369 5.8715 5.8715 5.8828 5.8828 5.8874 5.8874 7.5954 7.5954 7.6172 7.6172 8.4888 8.4888 8.4926 8.4926 8.8986 8.8986 10.7528 10.7528 10.7765 10.7765 10.8832 10.8832 11.8089 11.8089 12.1012 12.1012 12.1630 12.1630 k = 0.2083 0.2083 0.2083 ( 6322 PWs) bands (ev): -4.1040 -4.1040 -2.9606 -2.9606 -2.9587 -2.9587 -2.8022 -2.8022 -0.2369 -0.2369 -0.2300 -0.2300 -0.0632 -0.0632 -0.0603 -0.0603 0.0500 0.0500 0.0740 0.0740 0.0803 0.0803 0.1582 0.1582 0.2324 0.2324 0.2635 0.2635 0.2982 0.2982 0.3880 0.3880 0.4900 0.4900 0.5029 0.5029 0.5412 0.5412 0.5511 0.5511 0.6266 0.6266 0.6295 0.6295 0.6426 0.6426 0.6731 0.6731 0.7066 0.7066 0.7666 0.7666 0.7751 0.7751 0.8131 0.8131 0.8149 0.8149 0.8406 0.8406 0.8882 0.8882 0.9288 0.9288 0.9295 0.9295 1.0168 1.0168 2.2588 2.2588 2.2688 2.2688 3.6032 3.6032 3.6034 3.6034 3.8664 3.8664 4.9128 4.9128 5.2394 5.2394 5.8121 5.8121 5.9054 5.9054 5.9205 5.9205 7.5716 7.5716 7.5929 7.5929 8.5520 8.5520 8.5557 8.5557 8.8836 8.8836 10.9154 10.9154 10.9432 10.9432 10.9687 10.9687 11.9305 11.9305 12.1410 12.1410 12.1972 12.1972 k = 0.2188 0.2187 0.2187 ( 6307 PWs) bands (ev): -4.0661 -4.0661 -2.9792 -2.9792 -2.9773 -2.9773 -2.8101 -2.8101 -0.2197 -0.2197 -0.2122 -0.2122 -0.0585 -0.0585 -0.0541 -0.0541 0.0549 0.0549 0.0783 0.0783 0.0867 0.0867 0.1616 0.1616 0.2339 0.2339 0.2586 0.2586 0.2971 0.2971 0.3865 0.3865 0.4854 0.4854 0.5035 0.5035 0.5377 0.5377 0.5492 0.5492 0.6226 0.6226 0.6247 0.6247 0.6410 0.6410 0.6716 0.6716 0.7028 0.7028 0.7633 0.7633 0.7708 0.7708 0.8110 0.8110 0.8116 0.8116 0.8384 0.8384 0.8796 0.8796 0.9220 0.9220 0.9243 0.9243 1.0167 1.0167 2.2149 2.2149 2.2248 2.2248 3.6565 3.6565 3.6570 3.6570 3.7568 3.7568 4.9760 4.9760 5.2165 5.2165 5.7736 5.7736 5.9406 5.9406 5.9554 5.9554 7.5487 7.5487 7.5695 7.5695 8.6145 8.6145 8.6182 8.6182 8.8662 8.8662 11.0483 11.0483 11.0763 11.0763 11.1092 11.1092 12.0643 12.0643 12.1809 12.1809 12.2295 12.2295 k = 0.2292 0.2292 0.2292 ( 6310 PWs) bands (ev): -4.0270 -4.0270 -2.9976 -2.9976 -2.9957 -2.9957 -2.8180 -2.8180 -0.2027 -0.2027 -0.1944 -0.1944 -0.0534 -0.0534 -0.0475 -0.0475 0.0600 0.0600 0.0827 0.0827 0.0931 0.0931 0.1647 0.1647 0.2358 0.2358 0.2544 0.2544 0.2961 0.2961 0.3851 0.3851 0.4807 0.4807 0.5045 0.5045 0.5339 0.5339 0.5471 0.5471 0.6186 0.6186 0.6196 0.6196 0.6394 0.6394 0.6699 0.6699 0.6989 0.6989 0.7601 0.7601 0.7663 0.7663 0.8070 0.8070 0.8096 0.8096 0.8363 0.8363 0.8704 0.8704 0.9150 0.9150 0.9191 0.9191 1.0171 1.0171 2.1638 2.1638 2.1734 2.1734 3.6446 3.6446 3.7224 3.7224 3.7228 3.7228 5.0409 5.0409 5.1647 5.1647 5.7708 5.7708 5.9768 5.9768 5.9914 5.9914 7.5271 7.5271 7.5472 7.5472 8.6761 8.6761 8.6798 8.6798 8.8466 8.8466 11.1248 11.1248 11.2304 11.2304 11.2709 11.2709 12.2070 12.2070 12.2240 12.2240 12.2616 12.2616 k = 0.2396 0.2396 0.2396 ( 6319 PWs) bands (ev): -3.9870 -3.9870 -3.0156 -3.0156 -3.0137 -3.0137 -2.8257 -2.8257 -0.1856 -0.1856 -0.1767 -0.1767 -0.0479 -0.0479 -0.0404 -0.0404 0.0653 0.0653 0.0872 0.0872 0.0995 0.0995 0.1675 0.1675 0.2382 0.2382 0.2510 0.2510 0.2952 0.2952 0.3840 0.3840 0.4760 0.4760 0.5058 0.5058 0.5298 0.5298 0.5451 0.5451 0.6144 0.6144 0.6145 0.6145 0.6377 0.6377 0.6682 0.6682 0.6949 0.6949 0.7566 0.7566 0.7618 0.7618 0.8031 0.8031 0.8071 0.8071 0.8340 0.8340 0.8609 0.8609 0.9078 0.9078 0.9140 0.9140 1.0179 1.0179 2.1073 2.1073 2.1165 2.1165 3.5312 3.5312 3.7983 3.7983 3.7989 3.7989 5.0901 5.0901 5.1077 5.1077 5.7973 5.7973 6.0138 6.0138 6.0280 6.0280 7.5071 7.5071 7.5265 7.5265 8.7367 8.7367 8.7403 8.7403 8.8251 8.8251 11.1995 11.1995 11.3721 11.3721 11.4223 11.4223 12.2703 12.2703 12.2948 12.2948 12.3586 12.3586 k = 0.2500 0.2500 0.2500 ( 6331 PWs) bands (ev): -3.9461 -3.9461 -3.0332 -3.0332 -3.0314 -3.0314 -2.8333 -2.8333 -0.1688 -0.1688 -0.1593 -0.1593 -0.0419 -0.0419 -0.0325 -0.0325 0.0709 0.0709 0.0918 0.0918 0.1058 0.1058 0.1698 0.1698 0.2410 0.2410 0.2484 0.2484 0.2945 0.2945 0.3830 0.3830 0.4714 0.4714 0.5074 0.5074 0.5255 0.5255 0.5430 0.5430 0.6091 0.6091 0.6104 0.6104 0.6359 0.6359 0.6663 0.6663 0.6909 0.6909 0.7527 0.7527 0.7577 0.7577 0.7993 0.7993 0.8041 0.8041 0.8316 0.8316 0.8513 0.8513 0.9004 0.9004 0.9091 0.9091 1.0190 1.0190 2.0471 2.0471 2.0557 2.0557 3.4166 3.4166 3.8831 3.8831 3.8837 3.8837 5.0025 5.0025 5.1755 5.1755 5.8436 5.8436 6.0512 6.0512 6.0649 6.0649 7.4889 7.4889 7.5075 7.5075 8.7946 8.7946 8.7994 8.7994 8.8029 8.8029 11.2739 11.2739 11.4927 11.4927 11.5543 11.5543 12.3135 12.3135 12.3157 12.3157 12.4485 12.4485 k = 0.2604 0.2604 0.2604 ( 6319 PWs) bands (ev): -3.9044 -3.9044 -3.0504 -3.0504 -3.0486 -3.0486 -2.8406 -2.8406 -0.1523 -0.1523 -0.1424 -0.1424 -0.0352 -0.0352 -0.0241 -0.0241 0.0768 0.0768 0.0965 0.0965 0.1119 0.1119 0.1718 0.1718 0.2443 0.2443 0.2466 0.2466 0.2942 0.2942 0.3823 0.3823 0.4669 0.4669 0.5091 0.5091 0.5212 0.5212 0.5410 0.5410 0.6037 0.6037 0.6065 0.6065 0.6340 0.6340 0.6643 0.6643 0.6869 0.6869 0.7480 0.7480 0.7544 0.7544 0.7954 0.7954 0.8006 0.8006 0.8289 0.8289 0.8416 0.8416 0.8930 0.8930 0.9047 0.9047 1.0205 1.0205 1.9846 1.9846 1.9924 1.9924 3.3011 3.3011 3.9753 3.9753 3.9759 3.9759 4.9083 4.9083 5.2447 5.2447 5.9026 5.9026 6.0887 6.0887 6.1019 6.1019 7.4729 7.4729 7.4905 7.4905 8.7763 8.7763 8.8534 8.8534 8.8567 8.8567 11.3490 11.3490 11.5815 11.5815 11.6530 11.6530 12.2277 12.2277 12.2313 12.2313 12.4511 12.4511 k = 0.2708 0.2708 0.2708 ( 6316 PWs) bands (ev): -3.8623 -3.8623 -3.0671 -3.0671 -3.0654 -3.0654 -2.8477 -2.8477 -0.1362 -0.1362 -0.1261 -0.1261 -0.0277 -0.0277 -0.0149 -0.0149 0.0829 0.0829 0.1015 0.1015 0.1179 0.1179 0.1733 0.1733 0.2457 0.2457 0.2479 0.2479 0.2941 0.2941 0.3818 0.3818 0.4626 0.4626 0.5110 0.5110 0.5166 0.5166 0.5389 0.5389 0.5982 0.5982 0.6026 0.6026 0.6320 0.6320 0.6623 0.6623 0.6830 0.6830 0.7428 0.7428 0.7517 0.7517 0.7916 0.7916 0.7966 0.7966 0.8256 0.8256 0.8318 0.8318 0.8857 0.8857 0.9009 0.9009 1.0222 1.0222 1.9208 1.9208 1.9278 1.9278 3.1852 3.1852 4.0739 4.0739 4.0745 4.0745 4.8119 4.8119 5.3150 5.3150 5.9700 5.9700 6.1261 6.1261 6.1386 6.1386 7.4591 7.4591 7.4758 7.4758 8.7498 8.7498 8.9081 8.9081 8.9114 8.9114 11.4256 11.4256 11.6269 11.6269 11.6997 11.6997 12.0909 12.0909 12.0979 12.0979 12.5429 12.5429 k = 0.2812 0.2812 0.2812 ( 6310 PWs) bands (ev): -3.8198 -3.8198 -3.0832 -3.0832 -3.0815 -3.0815 -2.8544 -2.8544 -0.1206 -0.1206 -0.1109 -0.1109 -0.0192 -0.0192 -0.0049 -0.0049 0.0893 0.0893 0.1068 0.1068 0.1236 0.1236 0.1746 0.1746 0.2457 0.2457 0.2518 0.2518 0.2944 0.2944 0.3813 0.3813 0.4584 0.4584 0.5119 0.5119 0.5128 0.5128 0.5370 0.5370 0.5927 0.5927 0.5988 0.5988 0.6297 0.6297 0.6603 0.6603 0.6791 0.6791 0.7373 0.7373 0.7493 0.7493 0.7876 0.7876 0.7921 0.7921 0.8218 0.8218 0.8222 0.8222 0.8784 0.8784 0.8979 0.8979 1.0242 1.0242 1.8567 1.8567 1.8627 1.8627 3.0691 3.0691 4.1779 4.1779 4.1785 4.1785 4.7157 4.7157 5.3862 5.3862 6.0432 6.0432 6.1629 6.1629 6.1747 6.1747 7.4479 7.4479 7.4635 7.4635 8.7219 8.7219 8.9595 8.9595 8.9627 8.9627 11.5039 11.5039 11.6160 11.6160 11.6732 11.6732 11.9771 11.9771 12.0052 12.0052 12.6662 12.6662 k = 0.2917 0.2917 0.2917 ( 6310 PWs) bands (ev): -3.7771 -3.7771 -3.0987 -3.0987 -3.0971 -3.0971 -2.8607 -2.8607 -0.1057 -0.1057 -0.0969 -0.0969 -0.0094 -0.0094 0.0057 0.0057 0.0960 0.0960 0.1124 0.1124 0.1290 0.1290 0.1755 0.1755 0.2465 0.2465 0.2558 0.2558 0.2950 0.2950 0.3809 0.3809 0.4544 0.4544 0.5070 0.5070 0.5146 0.5146 0.5352 0.5352 0.5871 0.5871 0.5952 0.5952 0.6272 0.6272 0.6582 0.6582 0.6752 0.6752 0.7316 0.7316 0.7472 0.7472 0.7835 0.7835 0.7871 0.7871 0.8129 0.8129 0.8172 0.8172 0.8714 0.8714 0.8957 0.8957 1.0263 1.0263 1.7930 1.7930 1.7979 1.7979 2.9533 2.9533 4.2866 4.2866 4.2873 4.2873 4.6212 4.6212 5.4581 5.4581 6.1206 6.1206 6.1988 6.1988 6.2097 6.2097 7.4395 7.4395 7.4539 7.4539 8.6927 8.6927 9.0063 9.0063 9.0094 9.0094 11.5406 11.5406 11.5781 11.5781 11.5873 11.5873 11.9068 11.9068 11.9580 11.9580 12.6632 12.6632 k = 0.3021 0.3021 0.3021 ( 6310 PWs) bands (ev): -3.7344 -3.7344 -3.1136 -3.1136 -3.1120 -3.1120 -2.8666 -2.8666 -0.0916 -0.0916 -0.0843 -0.0843 0.0018 0.0018 0.0172 0.0172 0.1030 0.1030 0.1184 0.1184 0.1341 0.1341 0.1761 0.1761 0.2482 0.2482 0.2599 0.2599 0.2961 0.2961 0.3807 0.3807 0.4507 0.4507 0.5020 0.5020 0.5161 0.5161 0.5337 0.5337 0.5816 0.5816 0.5918 0.5918 0.6244 0.6244 0.6562 0.6562 0.6714 0.6714 0.7259 0.7259 0.7452 0.7452 0.7792 0.7792 0.7815 0.7815 0.8039 0.8039 0.8118 0.8118 0.8646 0.8646 0.8944 0.8944 1.0287 1.0287 1.7303 1.7303 1.7338 1.7338 2.8378 2.8378 4.3995 4.3995 4.4001 4.4001 4.5294 4.5294 5.5303 5.5303 6.2012 6.2012 6.2334 6.2334 6.2436 6.2436 7.4339 7.4339 7.4471 7.4471 8.6622 8.6622 9.0471 9.0471 9.0501 9.0501 11.4295 11.4295 11.4522 11.4522 11.6691 11.6691 11.8663 11.8663 11.9290 11.9290 12.5147 12.5147 k = 0.3125 0.3125 0.3125 ( 6319 PWs) bands (ev): -3.6921 -3.6921 -3.1279 -3.1279 -3.1263 -3.1263 -2.8719 -2.8719 -0.0786 -0.0786 -0.0734 -0.0734 0.0145 0.0145 0.0296 0.0296 0.1104 0.1104 0.1249 0.1249 0.1388 0.1388 0.1766 0.1766 0.2507 0.2507 0.2640 0.2640 0.2974 0.2974 0.3805 0.3805 0.4471 0.4471 0.4968 0.4968 0.5172 0.5172 0.5328 0.5328 0.5761 0.5761 0.5886 0.5886 0.6212 0.6212 0.6542 0.6542 0.6677 0.6677 0.7202 0.7202 0.7431 0.7431 0.7745 0.7745 0.7753 0.7753 0.7956 0.7956 0.8059 0.8059 0.8583 0.8583 0.8939 0.8939 1.0312 1.0312 1.6689 1.6689 1.6709 1.6709 2.7231 2.7231 4.4405 4.4405 4.5162 4.5162 4.5166 4.5166 5.6027 5.6027 6.2666 6.2666 6.2741 6.2741 6.2859 6.2859 7.4315 7.4315 7.4433 7.4433 8.6307 8.6307 9.0800 9.0800 9.0829 9.0829 11.3049 11.3049 11.3212 11.3212 11.7534 11.7534 11.8364 11.8364 11.9010 11.9010 12.3698 12.3698 k = 0.3229 0.3229 0.3229 ( 6319 PWs) bands (ev): -3.6503 -3.6503 -3.1414 -3.1414 -3.1398 -3.1398 -2.8766 -2.8766 -0.0667 -0.0667 -0.0641 -0.0641 0.0285 0.0285 0.0429 0.0429 0.1182 0.1182 0.1318 0.1318 0.1433 0.1433 0.1770 0.1770 0.2541 0.2541 0.2679 0.2679 0.2990 0.2990 0.3805 0.3805 0.4437 0.4437 0.4916 0.4916 0.5175 0.5175 0.5327 0.5327 0.5707 0.5707 0.5858 0.5858 0.6177 0.6177 0.6524 0.6524 0.6641 0.6641 0.7146 0.7146 0.7408 0.7408 0.7684 0.7684 0.7696 0.7696 0.7882 0.7882 0.7995 0.7995 0.8526 0.8526 0.8943 0.8943 1.0339 1.0339 1.6094 1.6094 1.6096 1.6096 2.6095 2.6095 4.3557 4.3557 4.6358 4.6358 4.6363 4.6363 5.6749 5.6749 6.2978 6.2978 6.3053 6.3053 6.3699 6.3699 7.4322 7.4322 7.4426 7.4426 8.5980 8.5980 9.1027 9.1027 9.1055 9.1055 11.1828 11.1828 11.1960 11.1960 11.7975 11.7975 11.8495 11.8495 11.8696 11.8696 12.2291 12.2291 k = 0.3333 0.3333 0.3333 ( 6292 PWs) bands (ev): -3.6092 -3.6092 -3.1542 -3.1542 -3.1527 -3.1527 -2.8807 -2.8807 -0.0561 -0.0561 -0.0560 -0.0560 0.0438 0.0438 0.0570 0.0570 0.1267 0.1267 0.1393 0.1393 0.1476 0.1476 0.1773 0.1773 0.2582 0.2582 0.2716 0.2716 0.3008 0.3008 0.3807 0.3807 0.4406 0.4406 0.4862 0.4862 0.5171 0.5171 0.5335 0.5335 0.5655 0.5655 0.5833 0.5833 0.6140 0.6140 0.6507 0.6507 0.6606 0.6606 0.7091 0.7091 0.7379 0.7379 0.7607 0.7607 0.7646 0.7646 0.7818 0.7818 0.7928 0.7928 0.8475 0.8475 0.8955 0.8955 1.0367 1.0367 1.5502 1.5502 1.5520 1.5520 2.4972 2.4972 4.2747 4.2747 4.7583 4.7583 4.7588 4.7588 5.7468 5.7468 6.3270 6.3270 6.3333 6.3333 6.4562 6.4562 7.4360 7.4360 7.4451 7.4451 8.5641 8.5641 9.1127 9.1127 9.1153 9.1153 11.0707 11.0707 11.0827 11.0827 11.7678 11.7678 11.8344 11.8344 11.9356 11.9356 12.0943 12.0943 k = 0.3438 0.3437 0.3437 ( 6286 PWs) bands (ev): -3.5693 -3.5693 -3.1663 -3.1663 -3.1648 -3.1648 -2.8841 -2.8841 -0.0492 -0.0492 -0.0469 -0.0469 0.0599 0.0599 0.0721 0.0721 0.1357 0.1357 0.1472 0.1472 0.1516 0.1516 0.1776 0.1776 0.2630 0.2630 0.2751 0.2751 0.3025 0.3025 0.3811 0.3811 0.4378 0.4378 0.4806 0.4806 0.5159 0.5159 0.5350 0.5350 0.5604 0.5604 0.5813 0.5813 0.6100 0.6100 0.6490 0.6490 0.6574 0.6574 0.7037 0.7037 0.7339 0.7339 0.7523 0.7523 0.7595 0.7595 0.7767 0.7767 0.7859 0.7859 0.8431 0.8431 0.8973 0.8973 1.0397 1.0397 1.4929 1.4929 1.4970 1.4970 2.3865 2.3865 4.1979 4.1979 4.8833 4.8833 4.8838 4.8838 5.8179 5.8179 6.3538 6.3538 6.3589 6.3589 6.5435 6.5435 7.4430 7.4430 7.4506 7.4506 8.5291 8.5291 9.1074 9.1074 9.1099 9.1099 10.9732 10.9732 10.9849 10.9849 11.7331 11.7331 11.7962 11.7962 11.9530 11.9530 12.0382 12.0382 k = 0.3542 0.3542 0.3542 ( 6292 PWs) bands (ev): -3.5307 -3.5307 -3.1776 -3.1776 -3.1761 -3.1761 -2.8868 -2.8868 -0.0434 -0.0434 -0.0391 -0.0391 0.0765 0.0765 0.0881 0.0881 0.1452 0.1452 0.1555 0.1555 0.1556 0.1556 0.1780 0.1780 0.2683 0.2683 0.2784 0.2784 0.3040 0.3040 0.3816 0.3816 0.4351 0.4351 0.4749 0.4749 0.5142 0.5142 0.5368 0.5368 0.5554 0.5554 0.5796 0.5796 0.6059 0.6059 0.6473 0.6473 0.6543 0.6543 0.6984 0.6984 0.7289 0.7289 0.7430 0.7430 0.7544 0.7544 0.7733 0.7733 0.7789 0.7789 0.8395 0.8395 0.8997 0.8997 1.0426 1.0426 1.4379 1.4379 1.4445 1.4445 2.2778 2.2778 4.1254 4.1254 5.0103 5.0103 5.0108 5.0108 5.8879 5.8879 6.3782 6.3782 6.3820 6.3820 6.6315 6.6315 7.4530 7.4530 7.4590 7.4590 8.4929 8.4929 9.0845 9.0845 9.0868 9.0868 10.8934 10.8934 10.9053 10.9053 11.6964 11.6964 11.7560 11.7560 11.8309 11.8309 12.1289 12.1289 k = 0.3646 0.3646 0.3646 ( 6286 PWs) bands (ev): -3.4937 -3.4937 -3.1882 -3.1882 -3.1867 -3.1867 -2.8886 -2.8886 -0.0384 -0.0384 -0.0327 -0.0327 0.0933 0.0933 0.1046 0.1046 0.1552 0.1552 0.1594 0.1594 0.1646 0.1646 0.1787 0.1787 0.2742 0.2742 0.2815 0.2815 0.3051 0.3051 0.3824 0.3824 0.4329 0.4329 0.4691 0.4691 0.5123 0.5123 0.5388 0.5388 0.5506 0.5506 0.5784 0.5784 0.6016 0.6016 0.6458 0.6458 0.6514 0.6514 0.6932 0.6932 0.7228 0.7228 0.7329 0.7329 0.7492 0.7492 0.7719 0.7719 0.7721 0.7721 0.8367 0.8367 0.9027 0.9027 1.0456 1.0456 1.3855 1.3855 1.3949 1.3949 2.1714 2.1714 4.0575 4.0575 5.1390 5.1390 5.1394 5.1394 5.9563 5.9563 6.4000 6.4000 6.4026 6.4026 6.7197 6.7197 7.4656 7.4656 7.4703 7.4703 8.4555 8.4555 9.0429 9.0429 9.0450 9.0450 10.8327 10.8327 10.8454 10.8454 11.6581 11.6581 11.7114 11.7114 11.7150 11.7150 12.2250 12.2250 k = 0.3750 0.3750 0.3750 ( 6286 PWs) bands (ev): -3.4587 -3.4587 -3.1980 -3.1980 -3.1965 -3.1965 -2.8895 -2.8895 -0.0341 -0.0341 -0.0275 -0.0275 0.1100 0.1100 0.1215 0.1215 0.1634 0.1634 0.1650 0.1650 0.1740 0.1740 0.1807 0.1807 0.2805 0.2805 0.2843 0.2843 0.3057 0.3057 0.3833 0.3833 0.4310 0.4310 0.4632 0.4632 0.5102 0.5102 0.5408 0.5408 0.5458 0.5458 0.5776 0.5776 0.5974 0.5974 0.6443 0.6443 0.6486 0.6486 0.6882 0.6882 0.7160 0.7160 0.7222 0.7222 0.7437 0.7437 0.7653 0.7653 0.7724 0.7724 0.8347 0.8347 0.9061 0.9061 1.0486 1.0486 1.3356 1.3356 1.3482 1.3482 2.0676 2.0676 3.9943 3.9943 5.2690 5.2690 5.2694 5.2694 6.0229 6.0229 6.4193 6.4193 6.4206 6.4206 6.8079 6.8079 7.4807 7.4807 7.4839 7.4839 8.4166 8.4166 8.9824 8.9824 8.9844 8.9844 10.7909 10.7909 10.8049 10.8049 11.5903 11.5903 11.6271 11.6271 11.6740 11.6740 12.3223 12.3223 k = 0.3854 0.3854 0.3854 ( 6287 PWs) bands (ev): -3.4259 -3.4259 -3.2070 -3.2070 -3.2056 -3.2056 -2.8895 -2.8895 -0.0303 -0.0303 -0.0235 -0.0235 0.1261 0.1261 0.1383 0.1383 0.1680 0.1680 0.1723 0.1723 0.1823 0.1823 0.1878 0.1878 0.2869 0.2869 0.2872 0.2872 0.3056 0.3056 0.3842 0.3842 0.4297 0.4297 0.4572 0.4572 0.5081 0.5081 0.5412 0.5412 0.5427 0.5427 0.5771 0.5771 0.5934 0.5934 0.6431 0.6431 0.6460 0.6460 0.6833 0.6833 0.7087 0.7087 0.7110 0.7110 0.7383 0.7383 0.7586 0.7586 0.7745 0.7745 0.8335 0.8335 0.9101 0.9101 1.0515 1.0515 1.2886 1.2886 1.3046 1.3046 1.9668 1.9668 3.9357 3.9357 5.3998 5.3998 5.4002 5.4002 6.0870 6.0870 6.4360 6.4360 6.4361 6.4361 6.8958 6.8958 7.4977 7.4977 7.4996 7.4996 8.3763 8.3763 8.9047 8.9047 8.9066 8.9066 10.7663 10.7663 10.7821 10.7821 11.4835 11.4835 11.5896 11.5896 11.6342 11.6342 12.4190 12.4190 k = 0.3958 0.3958 0.3958 ( 6299 PWs) bands (ev): -3.3957 -3.3957 -3.2152 -3.2152 -3.2138 -3.2138 -2.8887 -2.8887 -0.0271 -0.0271 -0.0204 -0.0204 0.1407 0.1407 0.1544 0.1544 0.1738 0.1738 0.1751 0.1751 0.1919 0.1919 0.1999 0.1999 0.2892 0.2892 0.2943 0.2943 0.3048 0.3048 0.3849 0.3849 0.4288 0.4288 0.4510 0.4510 0.5057 0.5057 0.5367 0.5367 0.5445 0.5445 0.5764 0.5764 0.5900 0.5900 0.6421 0.6421 0.6434 0.6434 0.6785 0.6785 0.6995 0.6995 0.7011 0.7011 0.7331 0.7331 0.7521 0.7521 0.7781 0.7781 0.8332 0.8332 0.9146 0.9146 1.0541 1.0541 1.2445 1.2445 1.2641 1.2641 1.8695 1.8695 3.8820 3.8820 5.5308 5.5308 5.5312 5.5312 6.1483 6.1483 6.4494 6.4494 6.4505 6.4505 6.9829 6.9829 7.5162 7.5162 7.5170 7.5170 8.3345 8.3345 8.8124 8.8124 8.8142 8.8142 10.7559 10.7559 10.7739 10.7739 11.3816 11.3816 11.5563 11.5563 11.5965 11.5965 12.5129 12.5129 k = 0.4062 0.4062 0.4062 ( 6278 PWs) bands (ev): -3.3681 -3.3681 -3.2227 -3.2227 -3.2213 -3.2213 -2.8871 -2.8871 -0.0243 -0.0243 -0.0181 -0.0181 0.1524 0.1524 0.1690 0.1690 0.1761 0.1761 0.1822 0.1822 0.2027 0.2027 0.2147 0.2147 0.2914 0.2914 0.3017 0.3017 0.3033 0.3033 0.3853 0.3853 0.4287 0.4287 0.4448 0.4448 0.5034 0.5034 0.5321 0.5321 0.5462 0.5462 0.5752 0.5752 0.5878 0.5878 0.6407 0.6407 0.6415 0.6415 0.6740 0.6740 0.6883 0.6883 0.6934 0.6934 0.7284 0.7284 0.7458 0.7458 0.7832 0.7832 0.8340 0.8340 0.9196 0.9196 1.0565 1.0565 1.2034 1.2034 1.2268 1.2268 1.7761 1.7761 3.8331 3.8331 5.6615 5.6615 5.6618 5.6618 6.2062 6.2062 6.4606 6.4606 6.4627 6.4627 7.0691 7.0691 7.5354 7.5354 7.5357 7.5357 8.2909 8.2909 8.7086 8.7086 8.7103 8.7103 10.7562 10.7562 10.7768 10.7768 11.2869 11.2869 11.5266 11.5266 11.5618 11.5618 12.5999 12.5999 k = 0.4167 0.4167 0.4167 ( 6260 PWs) bands (ev): -3.3435 -3.3435 -3.2293 -3.2293 -3.2279 -3.2279 -2.8847 -2.8847 -0.0218 -0.0218 -0.0165 -0.0165 0.1604 0.1604 0.1766 0.1766 0.1820 0.1820 0.1936 0.1936 0.2138 0.2138 0.2317 0.2317 0.2935 0.2935 0.3011 0.3011 0.3094 0.3094 0.3851 0.3851 0.4289 0.4289 0.4386 0.4386 0.5011 0.5011 0.5275 0.5275 0.5476 0.5476 0.5731 0.5731 0.5872 0.5872 0.6376 0.6376 0.6412 0.6412 0.6696 0.6696 0.6778 0.6778 0.6856 0.6856 0.7243 0.7243 0.7397 0.7397 0.7894 0.7894 0.8362 0.8362 0.9250 0.9250 1.0584 1.0584 1.1655 1.1655 1.1927 1.1927 1.6870 1.6870 3.7892 3.7892 5.7909 5.7909 5.7911 5.7911 6.2601 6.2601 6.4700 6.4700 6.4729 6.4729 7.1539 7.1539 7.5544 7.5544 7.5556 7.5556 8.2456 8.2456 8.5968 8.5968 8.5984 8.5984 10.7633 10.7633 10.7871 10.7871 11.2000 11.2000 11.5011 11.5011 11.5311 11.5311 12.6717 12.6717 k = 0.4271 0.4271 0.4271 ( 6278 PWs) bands (ev): -3.3218 -3.3218 -3.2352 -3.2352 -3.2338 -3.2338 -2.8817 -2.8817 -0.0198 -0.0198 -0.0154 -0.0154 0.1656 0.1656 0.1769 0.1769 0.1934 0.1934 0.2068 0.2068 0.2244 0.2244 0.2500 0.2500 0.2955 0.2955 0.2982 0.2982 0.3174 0.3174 0.3844 0.3844 0.4291 0.4291 0.4322 0.4322 0.4987 0.4987 0.5226 0.5226 0.5488 0.5488 0.5704 0.5704 0.5877 0.5877 0.6334 0.6334 0.6413 0.6413 0.6655 0.6655 0.6690 0.6690 0.6779 0.6779 0.7207 0.7207 0.7339 0.7339 0.7962 0.7962 0.8404 0.8404 0.9310 0.9310 1.0597 1.0597 1.1308 1.1308 1.1617 1.1617 1.6030 1.6030 3.7503 3.7503 5.9178 5.9178 5.9180 5.9180 6.3095 6.3095 6.4776 6.4776 6.4813 6.4813 7.2371 7.2371 7.5736 7.5736 7.5755 7.5755 8.1985 8.1985 8.4804 8.4804 8.4820 8.4820 10.7742 10.7742 10.8016 10.8016 11.1217 11.1217 11.4804 11.4804 11.5049 11.5049 12.7153 12.7153 k = 0.4375 0.4375 0.4375 ( 6278 PWs) bands (ev): -3.3033 -3.3033 -3.2403 -3.2403 -3.2389 -3.2389 -2.8783 -2.8783 -0.0181 -0.0181 -0.0147 -0.0147 0.1692 0.1692 0.1771 0.1771 0.2037 0.2037 0.2203 0.2203 0.2345 0.2345 0.2683 0.2683 0.2949 0.2949 0.2981 0.2981 0.3257 0.3257 0.3832 0.3832 0.4259 0.4259 0.4287 0.4287 0.4966 0.4966 0.5174 0.5174 0.5497 0.5497 0.5679 0.5679 0.5891 0.5891 0.6278 0.6278 0.6418 0.6418 0.6617 0.6617 0.6625 0.6625 0.6705 0.6705 0.7178 0.7178 0.7284 0.7284 0.8031 0.8031 0.8474 0.8474 0.9375 0.9375 1.0601 1.0601 1.0994 1.0994 1.1338 1.1338 1.5248 1.5248 3.7165 3.7165 6.0407 6.0407 6.0408 6.0408 6.3538 6.3538 6.4838 6.4838 6.4882 6.4882 7.3183 7.3183 7.5925 7.5925 7.5950 7.5950 8.1495 8.1495 8.3626 8.3626 8.3642 8.3642 10.7859 10.7859 10.8174 10.8174 11.0526 11.0526 11.4647 11.4647 11.4838 11.4838 12.7241 12.7241 k = 0.4479 0.4479 0.4479 ( 6257 PWs) bands (ev): -3.2878 -3.2878 -3.2445 -3.2445 -3.2432 -3.2432 -2.8748 -2.8748 -0.0167 -0.0167 -0.0142 -0.0142 0.1719 0.1719 0.1773 0.1773 0.2132 0.2132 0.2330 0.2330 0.2437 0.2437 0.2821 0.2821 0.2931 0.2931 0.3032 0.3032 0.3345 0.3345 0.3816 0.3816 0.4196 0.4196 0.4271 0.4271 0.4948 0.4948 0.5120 0.5120 0.5506 0.5506 0.5659 0.5659 0.5909 0.5909 0.6213 0.6213 0.6426 0.6426 0.6578 0.6578 0.6585 0.6585 0.6641 0.6641 0.7154 0.7154 0.7235 0.7235 0.8093 0.8093 0.8583 0.8583 0.9445 0.9445 1.0590 1.0590 1.0718 1.0718 1.1090 1.1090 1.4536 1.4536 3.6878 3.6878 6.1573 6.1573 6.1573 6.1573 6.3925 6.3925 6.4888 6.4888 6.4937 6.4937 7.3970 7.3970 7.6108 7.6108 7.6136 7.6136 8.0987 8.0987 8.2471 8.2471 8.2485 8.2485 10.7964 10.7964 10.8325 10.8325 10.9935 10.9935 11.4539 11.4539 11.4678 11.4678 12.7100 12.7100 k = 0.4583 0.4583 0.4583 ( 6251 PWs) bands (ev): -3.2753 -3.2753 -3.2480 -3.2480 -3.2467 -3.2467 -2.8714 -2.8714 -0.0156 -0.0156 -0.0140 -0.0140 0.1741 0.1741 0.1775 0.1775 0.2220 0.2220 0.2444 0.2444 0.2516 0.2516 0.2829 0.2829 0.2954 0.2954 0.3164 0.3164 0.3436 0.3436 0.3799 0.3799 0.4132 0.4132 0.4234 0.4234 0.4935 0.4935 0.5065 0.5065 0.5513 0.5513 0.5644 0.5644 0.5932 0.5932 0.6145 0.6145 0.6435 0.6435 0.6530 0.6530 0.6563 0.6563 0.6596 0.6596 0.7135 0.7135 0.7191 0.7191 0.8143 0.8143 0.8735 0.8735 0.9519 0.9519 1.0462 1.0462 1.0576 1.0576 1.0871 1.0871 1.3906 1.3906 3.6642 3.6642 6.2643 6.2643 6.2643 6.2643 6.4250 6.4250 6.4929 6.4929 6.4981 6.4981 7.4725 7.4725 7.6284 7.6284 7.6314 7.6314 8.0465 8.0465 8.1376 8.1376 8.1389 8.1389 10.8044 10.8044 10.8454 10.8454 10.9452 10.9452 11.4474 11.4474 11.4566 11.4566 12.6881 12.6881 k = 0.4688 0.4687 0.4687 ( 6239 PWs) bands (ev): -3.2658 -3.2658 -3.2507 -3.2507 -3.2494 -3.2494 -2.8685 -2.8685 -0.0148 -0.0148 -0.0138 -0.0138 0.1757 0.1757 0.1776 0.1776 0.2301 0.2301 0.2537 0.2537 0.2582 0.2582 0.2787 0.2787 0.2972 0.2972 0.3337 0.3337 0.3529 0.3529 0.3783 0.3783 0.4067 0.4067 0.4172 0.4172 0.4927 0.4927 0.5011 0.5011 0.5521 0.5521 0.5633 0.5633 0.5956 0.5956 0.6086 0.6086 0.6443 0.6443 0.6478 0.6478 0.6553 0.6553 0.6571 0.6571 0.7121 0.7121 0.7155 0.7155 0.8181 0.8181 0.8927 0.8927 0.9595 0.9595 1.0250 1.0250 1.0531 1.0531 1.0684 1.0684 1.3380 1.3380 3.6458 3.6458 6.3571 6.3571 6.3573 6.3573 6.4509 6.4509 6.4963 6.4963 6.5017 6.5017 7.5439 7.5439 7.6455 7.6455 7.6484 7.6484 7.9936 7.9936 8.0389 8.0389 8.0398 8.0398 10.8088 10.8088 10.8555 10.8555 10.9086 10.9086 11.4441 11.4441 11.4494 11.4494 12.6667 12.6667 k = 0.4792 0.4792 0.4792 ( 6245 PWs) bands (ev): -3.2591 -3.2591 -3.2526 -3.2526 -3.2514 -3.2514 -2.8661 -2.8661 -0.0142 -0.0142 -0.0138 -0.0138 0.1768 0.1768 0.1777 0.1777 0.2373 0.2373 0.2607 0.2607 0.2630 0.2630 0.2739 0.2739 0.2983 0.2983 0.3510 0.3510 0.3622 0.3622 0.3769 0.3769 0.4000 0.4000 0.4086 0.4086 0.4924 0.4924 0.4965 0.4965 0.5527 0.5527 0.5627 0.5627 0.5979 0.5979 0.6041 0.6041 0.6425 0.6425 0.6454 0.6454 0.6548 0.6548 0.6556 0.6556 0.7111 0.7111 0.7127 0.7127 0.8209 0.8209 0.9146 0.9146 0.9668 0.9668 1.0058 1.0058 1.0472 1.0472 1.0533 1.0533 1.2980 1.2980 3.6327 3.6327 6.4291 6.4291 6.4301 6.4301 6.4699 6.4699 6.5002 6.5002 6.5051 6.5051 7.6088 7.6088 7.6620 7.6620 7.6644 7.6644 7.9421 7.9421 7.9569 7.9569 7.9574 7.9574 10.8095 10.8095 10.8624 10.8624 10.8843 10.8843 11.4430 11.4430 11.4454 11.4454 12.6497 12.6497 k = 0.4896 0.4896 0.4896 ( 6272 PWs) bands (ev): -3.2555 -3.2555 -3.2534 -3.2534 -3.2526 -3.2526 -2.8647 -2.8647 -0.0139 -0.0139 -0.0138 -0.0138 0.1775 0.1775 0.1777 0.1777 0.2429 0.2429 0.2649 0.2649 0.2658 0.2658 0.2697 0.2697 0.2988 0.2988 0.3668 0.3668 0.3705 0.3705 0.3760 0.3760 0.3934 0.3934 0.3980 0.3980 0.4922 0.4922 0.4933 0.4933 0.5532 0.5532 0.5623 0.5623 0.5996 0.5996 0.6012 0.6012 0.6393 0.6393 0.6456 0.6456 0.6546 0.6546 0.6548 0.6548 0.7105 0.7105 0.7109 0.7109 0.8225 0.8225 0.9373 0.9373 0.9725 0.9725 0.9875 0.9875 1.0415 1.0415 1.0429 1.0429 1.2729 1.2729 3.6248 3.6248 6.4701 6.4701 6.4746 6.4746 6.4823 6.4823 6.5078 6.5078 6.5101 6.5101 7.6607 7.6607 7.6762 7.6762 7.6781 7.6781 7.8981 7.8981 7.8998 7.8998 7.8998 7.8998 10.8078 10.8078 10.8665 10.8665 10.8716 10.8716 11.4428 11.4428 11.4434 11.4434 12.6389 12.6389 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -3.2550 -3.2550 -3.2530 -3.2530 -3.2530 -3.2530 -2.8642 -2.8642 -0.0138 -0.0138 -0.0138 -0.0138 0.1777 0.1777 0.1777 0.1777 0.2453 0.2453 0.2664 0.2664 0.2664 0.2664 0.2682 0.2682 0.2990 0.2990 0.3749 0.3749 0.3749 0.3749 0.3777 0.3777 0.3897 0.3897 0.3897 0.3897 0.4922 0.4922 0.4922 0.4922 0.5534 0.5534 0.5622 0.5622 0.6003 0.6003 0.6003 0.6003 0.6382 0.6382 0.6457 0.6457 0.6546 0.6546 0.6546 0.6546 0.7104 0.7104 0.7104 0.7104 0.8231 0.8231 0.9522 0.9522 0.9748 0.9748 0.9748 0.9748 1.0390 1.0390 1.0390 1.0390 1.2645 1.2645 3.6222 3.6222 6.4794 6.4794 6.4870 6.4870 6.4870 6.4870 6.5149 6.5149 6.5149 6.5149 7.6825 7.6825 7.6825 7.6825 7.6849 7.6849 7.8782 7.8782 7.8782 7.8782 7.8787 7.8787 10.8067 10.8067 10.8678 10.8678 10.8678 10.8678 11.4429 11.4429 11.4429 11.4429 12.6353 12.6353 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -3.2550 -3.2550 -3.2530 -3.2530 -3.2530 -3.2530 -2.8642 -2.8642 -0.0138 -0.0138 -0.0138 -0.0138 0.1777 0.1777 0.1777 0.1777 0.2453 0.2453 0.2664 0.2664 0.2664 0.2664 0.2682 0.2682 0.2990 0.2990 0.3749 0.3749 0.3749 0.3749 0.3777 0.3777 0.3897 0.3897 0.3897 0.3897 0.4922 0.4922 0.4922 0.4922 0.5534 0.5534 0.5622 0.5622 0.6003 0.6003 0.6003 0.6003 0.6382 0.6382 0.6457 0.6457 0.6546 0.6546 0.6546 0.6546 0.7104 0.7104 0.7104 0.7104 0.8231 0.8231 0.9522 0.9522 0.9748 0.9748 0.9748 0.9748 1.0390 1.0390 1.0390 1.0390 1.2645 1.2645 3.6222 3.6222 6.4794 6.4794 6.4870 6.4870 6.4870 6.4870 6.5149 6.5149 6.5149 6.5149 7.6825 7.6825 7.6825 7.6825 7.6849 7.6849 7.8782 7.8782 7.8782 7.8782 7.8787 7.8787 10.8067 10.8067 10.8678 10.8678 10.8678 10.8678 11.4429 11.4429 11.4429 11.4429 12.6353 12.6353 k = 0.4875 0.5000 0.4875 ( 6272 PWs) bands (ev): -3.2554 -3.2554 -3.2536 -3.2536 -3.2525 -3.2525 -2.8647 -2.8647 -0.0139 -0.0139 -0.0138 -0.0138 0.1775 0.1775 0.1777 0.1777 0.2430 0.2430 0.2649 0.2649 0.2661 0.2661 0.2694 0.2694 0.2988 0.2988 0.3664 0.3664 0.3722 0.3722 0.3753 0.3753 0.3927 0.3927 0.3983 0.3983 0.4923 0.4923 0.4932 0.4932 0.5532 0.5532 0.5623 0.5623 0.5997 0.5997 0.6011 0.6011 0.6393 0.6393 0.6456 0.6456 0.6546 0.6546 0.6548 0.6548 0.7105 0.7105 0.7110 0.7110 0.8226 0.8226 0.9379 0.9379 0.9726 0.9726 0.9868 0.9868 1.0405 1.0405 1.0439 1.0439 1.2726 1.2726 3.6247 3.6247 6.4696 6.4696 6.4764 6.4764 6.4830 6.4830 6.5067 6.5067 6.5107 6.5107 7.6660 7.6660 7.6687 7.6687 7.6816 7.6816 7.8965 7.8965 7.8978 7.8978 7.9009 7.9009 10.8078 10.8078 10.8668 10.8668 10.8711 10.8711 11.4416 11.4416 11.4446 11.4446 12.6388 12.6388 k = 0.4750 0.5000 0.4750 ( 6260 PWs) bands (ev): -3.2576 -3.2576 -3.2549 -3.2549 -3.2506 -3.2506 -2.8661 -2.8661 -0.0142 -0.0142 -0.0138 -0.0138 0.1769 0.1769 0.1776 0.1776 0.2373 0.2373 0.2609 0.2609 0.2640 0.2640 0.2731 0.2731 0.2983 0.2983 0.3505 0.3505 0.3671 0.3671 0.3737 0.3737 0.3985 0.3985 0.4093 0.4093 0.4926 0.4926 0.4961 0.4961 0.5527 0.5527 0.5626 0.5626 0.5983 0.5983 0.6034 0.6034 0.6424 0.6424 0.6454 0.6454 0.6549 0.6549 0.6554 0.6554 0.7108 0.7108 0.7129 0.7129 0.8210 0.8210 0.9159 0.9159 0.9674 0.9674 1.0015 1.0015 1.0441 1.0441 1.0589 1.0589 1.2961 1.2961 3.6323 3.6323 6.4189 6.4189 6.4514 6.4514 6.4734 6.4734 6.4964 6.4964 6.4996 6.4996 7.6286 7.6286 7.6346 7.6346 7.6764 7.6764 7.9411 7.9411 7.9527 7.9527 7.9547 7.9547 10.8097 10.8097 10.8639 10.8639 10.8822 10.8822 11.4384 11.4384 11.4497 11.4497 12.6492 12.6492 k = 0.4625 0.5000 0.4625 ( 6242 PWs) bands (ev): -3.2619 -3.2619 -3.2568 -3.2568 -3.2470 -3.2470 -2.8684 -2.8684 -0.0147 -0.0147 -0.0139 -0.0139 0.1759 0.1759 0.1775 0.1775 0.2296 0.2296 0.2544 0.2544 0.2601 0.2601 0.2774 0.2774 0.2974 0.2974 0.3333 0.3333 0.3620 0.3620 0.3716 0.3716 0.4048 0.4048 0.4184 0.4184 0.4933 0.4933 0.5003 0.5003 0.5521 0.5521 0.5631 0.5631 0.5966 0.5966 0.6072 0.6072 0.6449 0.6449 0.6468 0.6468 0.6557 0.6557 0.6566 0.6566 0.7114 0.7114 0.7158 0.7158 0.8185 0.8185 0.8939 0.8939 0.9617 0.9617 1.0122 1.0122 1.0486 1.0486 1.0833 1.0833 1.3333 1.3333 3.6449 3.6449 6.3331 6.3331 6.4122 6.4122 6.4584 6.4584 6.4771 6.4771 6.4916 6.4916 7.5854 7.5854 7.5931 7.5931 7.6679 7.6679 7.9994 7.9994 8.0237 8.0237 8.0353 8.0353 10.8098 10.8098 10.8592 10.8592 10.9031 10.9031 11.4346 11.4346 11.4580 11.4580 12.6660 12.6660 k = 0.4500 0.5000 0.4500 ( 6244 PWs) bands (ev): -3.2681 -3.2681 -3.2595 -3.2595 -3.2419 -3.2419 -2.8713 -2.8713 -0.0155 -0.0155 -0.0140 -0.0140 0.1744 0.1744 0.1774 0.1774 0.2204 0.2204 0.2455 0.2455 0.2547 0.2547 0.2815 0.2815 0.2961 0.2961 0.3158 0.3158 0.3577 0.3577 0.3690 0.3690 0.4109 0.4109 0.4250 0.4250 0.4944 0.4944 0.5052 0.5052 0.5515 0.5515 0.5636 0.5636 0.5950 0.5950 0.6119 0.6119 0.6444 0.6444 0.6504 0.6504 0.6570 0.6570 0.6597 0.6597 0.7123 0.7123 0.7198 0.7198 0.8154 0.8154 0.8733 0.8733 0.9567 0.9567 1.0210 1.0210 1.0532 1.0532 1.1146 1.1146 1.3817 1.3817 3.6625 3.6625 6.2249 6.2249 6.3597 6.3597 6.4379 6.4379 6.4496 6.4496 6.4838 6.4838 7.5417 7.5417 7.5492 7.5492 7.6560 7.6560 8.0659 8.0659 8.1012 8.1012 8.1371 8.1371 10.8059 10.8059 10.8528 10.8528 10.9352 10.9352 11.4321 11.4321 11.4692 11.4692 12.6882 12.6882 k = 0.4375 0.5000 0.4375 ( 6256 PWs) bands (ev): -3.2761 -3.2761 -3.2631 -3.2631 -3.2354 -3.2354 -2.8748 -2.8748 -0.0165 -0.0165 -0.0142 -0.0142 0.1725 0.1725 0.1772 0.1772 0.2097 0.2097 0.2345 0.2345 0.2481 0.2481 0.2840 0.2840 0.2939 0.2939 0.3002 0.3002 0.3544 0.3544 0.3663 0.3663 0.4166 0.4166 0.4293 0.4293 0.4959 0.4959 0.5101 0.5101 0.5514 0.5514 0.5642 0.5642 0.5938 0.5938 0.6174 0.6174 0.6439 0.6439 0.6524 0.6524 0.6585 0.6585 0.6662 0.6662 0.7133 0.7133 0.7245 0.7245 0.8119 0.8119 0.8547 0.8547 0.9531 0.9531 1.0295 1.0295 1.0580 1.0580 1.1509 1.1509 1.4394 1.4394 3.6850 3.6850 6.1017 6.1017 6.2959 6.2959 6.4114 6.4114 6.4158 6.4158 6.4745 6.4745 7.4987 7.4987 7.5045 7.5045 7.6410 7.6410 8.1381 8.1381 8.1843 8.1843 8.2512 8.2512 10.7977 10.7977 10.8440 10.8440 10.9786 10.9786 11.4333 11.4333 11.4828 11.4828 12.7145 12.7145 k = 0.4250 0.5000 0.4250 ( 6262 PWs) bands (ev): -3.2856 -3.2856 -3.2679 -3.2679 -3.2275 -3.2275 -2.8786 -2.8786 -0.0179 -0.0179 -0.0146 -0.0146 0.1702 0.1702 0.1768 0.1768 0.1976 0.1976 0.2218 0.2218 0.2406 0.2406 0.2768 0.2768 0.2916 0.2916 0.2949 0.2949 0.3518 0.3518 0.3638 0.3638 0.4218 0.4218 0.4314 0.4314 0.4977 0.4977 0.5144 0.5144 0.5519 0.5519 0.5648 0.5648 0.5933 0.5933 0.6233 0.6233 0.6435 0.6435 0.6538 0.6538 0.6601 0.6601 0.6747 0.6747 0.7146 0.7146 0.7300 0.7300 0.8081 0.8081 0.8386 0.8386 0.9508 0.9508 1.0382 1.0382 1.0636 1.0636 1.1913 1.1913 1.5050 1.5050 3.7125 3.7125 5.9686 5.9686 6.2230 6.2230 6.3755 6.3755 6.3804 6.3804 6.4635 6.4635 7.4564 7.4564 7.4590 7.4590 7.6230 7.6230 8.2147 8.2147 8.2713 8.2713 8.3723 8.3723 10.7860 10.7860 10.8320 10.8320 11.0331 11.0331 11.4404 11.4404 11.4986 11.4986 12.7431 12.7431 k = 0.4125 0.5000 0.4125 ( 6270 PWs) bands (ev): -3.2967 -3.2967 -3.2739 -3.2739 -3.2183 -3.2183 -2.8823 -2.8823 -0.0196 -0.0196 -0.0150 -0.0150 0.1673 0.1673 0.1762 0.1762 0.1844 0.1844 0.2079 0.2079 0.2323 0.2323 0.2624 0.2624 0.2906 0.2906 0.2961 0.2961 0.3499 0.3499 0.3613 0.3613 0.4264 0.4264 0.4317 0.4317 0.4997 0.4997 0.5178 0.5178 0.5533 0.5533 0.5656 0.5656 0.5935 0.5935 0.6291 0.6291 0.6433 0.6433 0.6554 0.6554 0.6619 0.6619 0.6843 0.6843 0.7162 0.7162 0.7361 0.7361 0.8040 0.8040 0.8251 0.8251 0.9497 0.9497 1.0468 1.0468 1.0712 1.0712 1.2355 1.2355 1.5774 1.5774 3.7447 3.7447 5.8292 5.8292 6.1427 6.1427 6.3316 6.3316 6.3428 6.3428 6.4508 6.4508 7.4126 7.4126 7.4145 7.4145 7.6021 7.6021 8.2951 8.2951 8.3611 8.3611 8.4970 8.4970 10.7717 10.7717 10.8161 10.8161 11.0985 11.0985 11.4551 11.4551 11.5158 11.5158 12.7719 12.7719 k = 0.4000 0.5000 0.4000 ( 6254 PWs) bands (ev): -3.3092 -3.3092 -3.2813 -3.2813 -3.2076 -3.2076 -2.8857 -2.8857 -0.0217 -0.0217 -0.0157 -0.0157 0.1629 0.1629 0.1696 0.1696 0.1765 0.1765 0.1934 0.1934 0.2236 0.2236 0.2485 0.2485 0.2885 0.2885 0.2989 0.2989 0.3485 0.3485 0.3590 0.3590 0.4294 0.4294 0.4317 0.4317 0.5016 0.5016 0.5203 0.5203 0.5557 0.5557 0.5666 0.5666 0.5944 0.5944 0.6347 0.6347 0.6433 0.6433 0.6572 0.6572 0.6640 0.6640 0.6945 0.6945 0.7181 0.7181 0.7426 0.7426 0.7993 0.7993 0.8149 0.8149 0.9497 0.9497 1.0543 1.0543 1.0821 1.0821 1.2832 1.2832 1.6557 1.6557 3.7817 3.7817 5.6858 5.6858 6.0568 6.0568 6.2838 6.2838 6.2999 6.2999 6.4366 6.4366 7.3653 7.3653 7.3727 7.3727 7.5786 7.5786 8.3784 8.3784 8.4527 8.4527 8.6226 8.6226 10.7556 10.7556 10.7964 10.7964 11.1745 11.1745 11.4780 11.4780 11.5342 11.5342 12.7989 12.7989 k = 0.3875 0.5000 0.3875 ( 6262 PWs) bands (ev): -3.3230 -3.3230 -3.2902 -3.2902 -3.1958 -3.1958 -2.8885 -2.8885 -0.0243 -0.0243 -0.0167 -0.0167 0.1514 0.1514 0.1601 0.1601 0.1750 0.1750 0.1802 0.1802 0.2145 0.2145 0.2362 0.2362 0.2859 0.2859 0.3016 0.3016 0.3474 0.3474 0.3570 0.3570 0.4281 0.4281 0.4341 0.4341 0.5035 0.5035 0.5219 0.5219 0.5588 0.5588 0.5679 0.5679 0.5959 0.5959 0.6398 0.6398 0.6436 0.6436 0.6591 0.6591 0.6666 0.6666 0.7047 0.7047 0.7206 0.7206 0.7494 0.7494 0.7937 0.7937 0.8080 0.8080 0.9506 0.9506 1.0604 1.0604 1.0970 1.0970 1.3340 1.3340 1.7393 1.7393 3.8234 3.8234 5.5400 5.5400 5.9666 5.9666 6.2329 6.2329 6.2518 6.2518 6.4209 6.4209 7.3165 7.3165 7.3307 7.3307 7.5526 7.5526 8.4641 8.4641 8.5455 8.5455 8.7473 8.7473 10.7386 10.7386 10.7736 10.7736 11.2611 11.2611 11.5086 11.5086 11.5538 11.5538 12.8227 12.8227 k = 0.3750 0.5000 0.3750 ( 6286 PWs) bands (ev): -3.3379 -3.3379 -3.3008 -3.3008 -3.1826 -3.1826 -2.8905 -2.8905 -0.0275 -0.0275 -0.0181 -0.0181 0.1349 0.1349 0.1508 0.1508 0.1686 0.1686 0.1754 0.1754 0.2051 0.2051 0.2256 0.2256 0.2830 0.2830 0.3040 0.3040 0.3465 0.3465 0.3551 0.3551 0.4255 0.4255 0.4365 0.4365 0.5051 0.5051 0.5230 0.5230 0.5624 0.5624 0.5695 0.5695 0.5977 0.5977 0.6440 0.6440 0.6446 0.6446 0.6608 0.6608 0.6698 0.6698 0.7136 0.7136 0.7244 0.7244 0.7562 0.7562 0.7878 0.7878 0.8040 0.8040 0.9522 0.9522 1.0656 1.0656 1.1157 1.1157 1.3878 1.3878 1.8279 1.8279 3.8695 3.8695 5.3931 5.3931 5.8734 5.8734 6.1795 6.1795 6.1986 6.1986 6.4038 6.4038 7.2663 7.2663 7.2884 7.2884 7.5244 7.5244 8.5515 8.5515 8.6388 8.6388 8.8700 8.8700 10.7213 10.7213 10.7490 10.7490 11.3576 11.3576 11.5437 11.5437 11.5766 11.5766 12.7922 12.7922 k = 0.3625 0.5000 0.3625 ( 6294 PWs) bands (ev): -3.3540 -3.3540 -3.3130 -3.3130 -3.1683 -3.1683 -2.8914 -2.8914 -0.0314 -0.0314 -0.0200 -0.0200 0.1175 0.1175 0.1381 0.1381 0.1624 0.1624 0.1739 0.1739 0.1956 0.1956 0.2165 0.2165 0.2800 0.2800 0.3061 0.3061 0.3456 0.3456 0.3534 0.3534 0.4225 0.4225 0.4381 0.4381 0.5067 0.5067 0.5243 0.5243 0.5663 0.5663 0.5714 0.5714 0.5997 0.5997 0.6449 0.6449 0.6488 0.6488 0.6622 0.6622 0.6737 0.6737 0.7194 0.7194 0.7312 0.7312 0.7628 0.7628 0.7829 0.7829 0.8017 0.8017 0.9546 0.9546 1.0704 1.0704 1.1378 1.1378 1.4444 1.4444 1.9210 1.9210 3.9200 3.9200 5.2459 5.2459 5.7781 5.7781 6.1241 6.1241 6.1405 6.1405 6.3856 6.3856 7.2145 7.2145 7.2457 7.2457 7.4942 7.4942 8.6400 8.6400 8.7321 8.7321 8.9897 8.9897 10.7042 10.7042 10.7242 10.7242 11.4632 11.4632 11.5732 11.5732 11.6119 11.6119 12.7199 12.7199 k = 0.3500 0.5000 0.3500 ( 6294 PWs) bands (ev): -3.3709 -3.3709 -3.3269 -3.3269 -3.1528 -3.1528 -2.8912 -2.8912 -0.0360 -0.0360 -0.0225 -0.0225 0.1002 0.1002 0.1243 0.1243 0.1578 0.1578 0.1721 0.1721 0.1865 0.1865 0.2090 0.2090 0.2767 0.2767 0.3077 0.3077 0.3446 0.3446 0.3521 0.3521 0.4194 0.4194 0.4390 0.4390 0.5080 0.5080 0.5258 0.5258 0.5703 0.5703 0.5737 0.5737 0.6020 0.6020 0.6459 0.6459 0.6527 0.6527 0.6634 0.6634 0.6781 0.6781 0.7228 0.7228 0.7399 0.7399 0.7686 0.7686 0.7798 0.7798 0.8008 0.8008 0.9577 0.9577 1.0752 1.0752 1.1633 1.1633 1.5036 1.5036 2.0183 2.0183 3.9747 3.9747 5.0991 5.0991 5.6815 5.6815 6.0671 6.0671 6.0777 6.0777 6.3663 6.3663 7.1612 7.1612 7.2027 7.2027 7.4622 7.4622 8.7289 8.7289 8.8250 8.8250 9.1060 9.1060 10.6873 10.6873 10.7013 10.7013 11.5680 11.5680 11.6021 11.6021 11.6622 11.6622 12.6503 12.6503 k = 0.3375 0.5000 0.3375 ( 6290 PWs) bands (ev): -3.3887 -3.3887 -3.3425 -3.3425 -3.1363 -3.1363 -2.8897 -2.8897 -0.0414 -0.0414 -0.0259 -0.0259 0.0833 0.0833 0.1107 0.1107 0.1534 0.1534 0.1689 0.1689 0.1787 0.1787 0.2029 0.2029 0.2732 0.2732 0.3089 0.3089 0.3434 0.3434 0.3511 0.3511 0.4162 0.4162 0.4391 0.4391 0.5092 0.5092 0.5280 0.5280 0.5742 0.5742 0.5764 0.5764 0.6044 0.6044 0.6471 0.6471 0.6564 0.6564 0.6643 0.6643 0.6828 0.6828 0.7256 0.7256 0.7481 0.7481 0.7725 0.7725 0.7797 0.7797 0.8013 0.8013 0.9614 0.9614 1.0801 1.0801 1.1919 1.1919 1.5652 1.5652 2.1194 2.1194 4.0335 4.0335 4.9533 4.9533 5.5844 5.5844 6.0083 6.0083 6.0109 6.0109 6.3462 6.3462 7.1064 7.1064 7.1593 7.1593 7.4287 7.4287 8.8175 8.8175 8.9169 8.9169 9.2186 9.2186 10.6693 10.6693 10.6832 10.6832 11.5980 11.5980 11.7084 11.7084 11.7210 11.7210 12.5838 12.5838 k = 0.3250 0.5000 0.3250 ( 6296 PWs) bands (ev): -3.4070 -3.4070 -3.3595 -3.3595 -3.1188 -3.1188 -2.8869 -2.8869 -0.0478 -0.0478 -0.0304 -0.0304 0.0674 0.0674 0.0977 0.0977 0.1489 0.1489 0.1631 0.1631 0.1737 0.1737 0.1981 0.1981 0.2696 0.2696 0.3095 0.3095 0.3421 0.3421 0.3503 0.3503 0.4130 0.4130 0.4384 0.4384 0.5104 0.5104 0.5306 0.5306 0.5775 0.5775 0.5797 0.5797 0.6069 0.6069 0.6484 0.6484 0.6599 0.6599 0.6650 0.6650 0.6876 0.6876 0.7283 0.7283 0.7545 0.7545 0.7752 0.7752 0.7821 0.7821 0.8034 0.8034 0.9656 0.9656 1.0851 1.0851 1.2237 1.2237 1.6291 1.6291 2.2241 2.2241 4.0960 4.0960 4.8089 4.8089 5.4874 5.4874 5.9386 5.9386 5.9497 5.9497 6.3252 6.3252 7.0505 7.0505 7.1158 7.1158 7.3940 7.3940 8.9048 8.9048 9.0075 9.0075 9.3275 9.3275 10.6510 10.6510 10.6708 10.6708 11.6071 11.6071 11.7853 11.7853 11.8385 11.8385 12.5207 12.5207 k = 0.3125 0.5000 0.3125 ( 6296 PWs) bands (ev): -3.4259 -3.4259 -3.3778 -3.3778 -3.1004 -3.1004 -2.8828 -2.8828 -0.0551 -0.0551 -0.0363 -0.0363 0.0529 0.0529 0.0855 0.0855 0.1440 0.1440 0.1557 0.1557 0.1707 0.1707 0.1945 0.1945 0.2659 0.2659 0.3095 0.3095 0.3406 0.3406 0.3497 0.3497 0.4101 0.4101 0.4371 0.4371 0.5118 0.5118 0.5337 0.5337 0.5805 0.5805 0.5835 0.5835 0.6094 0.6094 0.6498 0.6498 0.6630 0.6630 0.6657 0.6657 0.6925 0.6925 0.7312 0.7312 0.7585 0.7585 0.7790 0.7790 0.7852 0.7852 0.8070 0.8070 0.9705 0.9705 1.0903 1.0903 1.2585 1.2585 1.6951 1.6951 2.3321 2.3321 4.1621 4.1621 4.6662 4.6662 5.3912 5.3912 5.8632 5.8632 5.8893 5.8893 6.3037 6.3037 6.9937 6.9937 7.0722 7.0722 7.3583 7.3583 8.9901 8.9901 9.0962 9.0962 9.4328 9.4328 10.6351 10.6351 10.6630 10.6630 11.6107 11.6107 11.8539 11.8539 11.9753 11.9753 12.4614 12.4614 k = 0.3000 0.5000 0.3000 ( 6288 PWs) bands (ev): -3.4452 -3.4452 -3.3973 -3.3973 -3.0811 -3.0811 -2.8775 -2.8775 -0.0633 -0.0633 -0.0438 -0.0438 0.0402 0.0402 0.0743 0.0743 0.1388 0.1388 0.1485 0.1485 0.1685 0.1685 0.1919 0.1919 0.2622 0.2622 0.3089 0.3089 0.3392 0.3392 0.3492 0.3492 0.4074 0.4074 0.4353 0.4353 0.5134 0.5134 0.5372 0.5372 0.5834 0.5834 0.5874 0.5874 0.6120 0.6120 0.6513 0.6513 0.6657 0.6657 0.6664 0.6664 0.6974 0.6974 0.7344 0.7344 0.7606 0.7606 0.7827 0.7827 0.7898 0.7898 0.8116 0.8116 0.9759 0.9759 1.0958 1.0958 1.2962 1.2962 1.7631 1.7631 2.4430 2.4430 4.2315 4.2315 4.5257 4.5257 5.2962 5.2962 5.7840 5.7840 5.8281 5.8281 6.2817 6.2817 6.9364 6.9364 7.0286 7.0286 7.3218 7.3218 9.0722 9.0722 9.1827 9.1827 9.5348 9.5348 10.6227 10.6227 10.6598 10.6598 11.6089 11.6089 11.9259 11.9259 12.1165 12.1165 12.4059 12.4059 k = 0.2875 0.5000 0.2875 ( 6292 PWs) bands (ev): -3.4647 -3.4647 -3.4176 -3.4176 -3.0611 -3.0611 -2.8711 -2.8711 -0.0724 -0.0724 -0.0530 -0.0530 0.0293 0.0293 0.0639 0.0639 0.1333 0.1333 0.1418 0.1418 0.1665 0.1665 0.1900 0.1900 0.2584 0.2584 0.3077 0.3077 0.3379 0.3379 0.3486 0.3486 0.4049 0.4049 0.4329 0.4329 0.5154 0.5154 0.5409 0.5409 0.5863 0.5863 0.5912 0.5912 0.6146 0.6146 0.6528 0.6528 0.6666 0.6666 0.6686 0.6686 0.7023 0.7023 0.7379 0.7379 0.7620 0.7620 0.7848 0.7848 0.7963 0.7963 0.8166 0.8166 0.9819 0.9819 1.1014 1.1014 1.3368 1.3368 1.8330 1.8330 2.5564 2.5564 4.3037 4.3037 4.3876 4.3876 5.2029 5.2029 5.7016 5.7016 5.7661 5.7661 6.2594 6.2594 6.8791 6.8791 6.9851 6.9851 7.2849 7.2849 9.1499 9.1499 9.2665 9.2665 9.6337 9.6337 10.6145 10.6145 10.6617 10.6617 11.6011 11.6011 12.0005 12.0005 12.2594 12.2594 12.3550 12.3550 k = 0.2750 0.5000 0.2750 ( 6294 PWs) bands (ev): -3.4844 -3.4844 -3.4387 -3.4387 -3.0405 -3.0405 -2.8637 -2.8637 -0.0822 -0.0822 -0.0638 -0.0638 0.0203 0.0203 0.0543 0.0543 0.1277 0.1277 0.1357 0.1357 0.1650 0.1650 0.1887 0.1887 0.2547 0.2547 0.3059 0.3059 0.3366 0.3366 0.3479 0.3479 0.4026 0.4026 0.4303 0.4303 0.5178 0.5178 0.5447 0.5447 0.5892 0.5892 0.5948 0.5948 0.6173 0.6173 0.6543 0.6543 0.6671 0.6671 0.6709 0.6709 0.7071 0.7071 0.7417 0.7417 0.7634 0.7634 0.7862 0.7862 0.8034 0.8034 0.8217 0.8217 0.9886 0.9886 1.1073 1.1073 1.3800 1.3800 1.9048 1.9048 2.6720 2.6720 4.2519 4.2519 4.3785 4.3785 5.1120 5.1120 5.6161 5.6161 5.7033 5.7033 6.2369 6.2369 6.8224 6.8224 6.9418 6.9418 7.2479 7.2479 9.2221 9.2221 9.3469 9.3469 9.7301 9.7301 10.6110 10.6110 10.6692 10.6692 11.5862 11.5862 12.0767 12.0767 12.3056 12.3056 12.4049 12.4049 k = 0.2625 0.5000 0.2625 ( 6290 PWs) bands (ev): -3.5040 -3.5040 -3.4602 -3.4602 -3.0194 -3.0194 -2.8554 -2.8554 -0.0927 -0.0927 -0.0756 -0.0756 0.0127 0.0127 0.0454 0.0454 0.1223 0.1223 0.1301 0.1301 0.1639 0.1639 0.1878 0.1878 0.2510 0.2510 0.3036 0.3036 0.3354 0.3354 0.3472 0.3472 0.4007 0.4007 0.4274 0.4274 0.5205 0.5205 0.5485 0.5485 0.5923 0.5923 0.5984 0.5984 0.6200 0.6200 0.6558 0.6558 0.6677 0.6677 0.6729 0.6729 0.7120 0.7120 0.7458 0.7458 0.7649 0.7649 0.7874 0.7874 0.8106 0.8106 0.8266 0.8266 0.9958 0.9958 1.1134 1.1134 1.4257 1.4257 1.9782 1.9782 2.7894 2.7894 4.1192 4.1192 4.4551 4.4551 5.0241 5.0241 5.5280 5.5280 5.6397 5.6397 6.2145 6.2145 6.7668 6.7668 6.8987 6.8987 7.2108 7.2108 9.2875 9.2875 9.4233 9.4233 9.8241 9.8241 10.6121 10.6121 10.6828 10.6828 11.5628 11.5628 12.1524 12.1524 12.2646 12.2646 12.5448 12.5448 k = 0.2500 0.5000 0.2500 ( 6290 PWs) bands (ev): -3.5235 -3.5235 -3.4820 -3.4820 -2.9978 -2.9978 -2.8464 -2.8464 -0.1035 -0.1035 -0.0882 -0.0882 0.0063 0.0063 0.0370 0.0370 0.1174 0.1174 0.1249 0.1249 0.1631 0.1631 0.1871 0.1871 0.2474 0.2474 0.3008 0.3008 0.3343 0.3343 0.3462 0.3462 0.3991 0.3991 0.4245 0.4245 0.5235 0.5235 0.5523 0.5523 0.5953 0.5953 0.6017 0.6017 0.6226 0.6226 0.6572 0.6572 0.6682 0.6682 0.6747 0.6747 0.7168 0.7168 0.7501 0.7501 0.7667 0.7667 0.7887 0.7887 0.8175 0.8175 0.8314 0.8314 1.0037 1.0037 1.1196 1.1196 1.4738 1.4738 2.0533 2.0533 2.9079 2.9079 3.9895 3.9895 4.5330 4.5330 4.9396 4.9396 5.4376 5.4376 5.5755 5.5755 6.1921 6.1921 6.7132 6.7132 6.8559 6.8559 7.1741 7.1741 9.3448 9.3448 9.4949 9.4949 9.9162 9.9162 10.6181 10.6181 10.7028 10.7028 11.5293 11.5293 12.2024 12.2024 12.2532 12.2532 12.6774 12.6774 k = 0.2375 0.5000 0.2375 ( 6312 PWs) bands (ev): -3.5428 -3.5428 -3.5039 -3.5039 -2.9760 -2.9760 -2.8368 -2.8368 -0.1147 -0.1147 -0.1012 -0.1012 0.0005 0.0005 0.0291 0.0291 0.1129 0.1129 0.1199 0.1199 0.1627 0.1627 0.1867 0.1867 0.2438 0.2438 0.2976 0.2976 0.3332 0.3332 0.3450 0.3450 0.3976 0.3976 0.4214 0.4214 0.5268 0.5268 0.5560 0.5560 0.5984 0.5984 0.6049 0.6049 0.6253 0.6253 0.6584 0.6584 0.6688 0.6688 0.6763 0.6763 0.7215 0.7215 0.7545 0.7545 0.7687 0.7687 0.7901 0.7901 0.8240 0.8240 0.8359 0.8359 1.0122 1.0122 1.1260 1.1260 1.5242 1.5242 2.1299 2.1299 3.0267 3.0267 3.8632 3.8632 4.6112 4.6112 4.8596 4.8596 5.3453 5.3453 5.5109 5.5109 6.1700 6.1700 6.6621 6.6621 6.8134 6.8134 7.1379 7.1379 9.3931 9.3931 9.5608 9.5608 10.0068 10.0068 10.6289 10.6289 10.7290 10.7290 11.4835 11.4835 12.1774 12.1774 12.3204 12.3204 12.5770 12.5770 k = 0.2250 0.5000 0.2250 ( 6312 PWs) bands (ev): -3.5617 -3.5617 -3.5256 -3.5256 -2.9540 -2.9540 -2.8267 -2.8267 -0.1260 -0.1260 -0.1141 -0.1141 -0.0047 -0.0047 0.0217 0.0217 0.1089 0.1089 0.1154 0.1154 0.1627 0.1627 0.1865 0.1865 0.2405 0.2405 0.2941 0.2941 0.3321 0.3321 0.3436 0.3436 0.3965 0.3965 0.4185 0.4185 0.5303 0.5303 0.5596 0.5596 0.6015 0.6015 0.6080 0.6080 0.6279 0.6279 0.6596 0.6596 0.6696 0.6696 0.6778 0.6778 0.7262 0.7262 0.7589 0.7589 0.7709 0.7709 0.7917 0.7917 0.8302 0.8302 0.8402 0.8402 1.0214 1.0214 1.1326 1.1326 1.5766 1.5766 2.2079 2.2079 3.1451 3.1451 3.7403 3.7403 4.6884 4.6884 4.7849 4.7849 5.2515 5.2515 5.4464 5.4464 6.1482 6.1482 6.6145 6.6145 6.7712 6.7712 7.1025 7.1025 9.4317 9.4317 9.6199 9.6199 10.0960 10.0960 10.6445 10.6445 10.7608 10.7608 11.4239 11.4239 12.1454 12.1454 12.3968 12.3968 12.4605 12.4605 k = 0.2125 0.5000 0.2125 ( 6308 PWs) bands (ev): -3.5802 -3.5802 -3.5470 -3.5470 -2.9320 -2.9320 -2.8163 -2.8163 -0.1372 -0.1372 -0.1268 -0.1268 -0.0096 -0.0096 0.0146 0.0146 0.1055 0.1055 0.1112 0.1112 0.1630 0.1630 0.1864 0.1864 0.2374 0.2374 0.2905 0.2905 0.3310 0.3310 0.3421 0.3421 0.3956 0.3956 0.4156 0.4156 0.5341 0.5341 0.5629 0.5629 0.6047 0.6047 0.6109 0.6109 0.6305 0.6305 0.6607 0.6607 0.6705 0.6705 0.6793 0.6793 0.7308 0.7308 0.7630 0.7630 0.7736 0.7736 0.7934 0.7934 0.8359 0.8359 0.8442 0.8442 1.0312 1.0312 1.1393 1.1393 1.6309 1.6309 2.2873 2.2873 3.2615 3.2615 3.6211 3.6211 4.7166 4.7166 4.7625 4.7625 5.1565 5.1565 5.3834 5.3834 6.1270 6.1270 6.5711 6.5711 6.7292 6.7292 7.0680 7.0680 9.4602 9.4602 9.6707 9.6707 10.1842 10.1842 10.6647 10.6647 10.7968 10.7968 11.3503 11.3503 12.1157 12.1157 12.3637 12.3637 12.4762 12.4762 k = 0.2000 0.5000 0.2000 ( 6292 PWs) bands (ev): -3.5981 -3.5981 -3.5680 -3.5680 -2.9101 -2.9101 -2.8057 -2.8057 -0.1482 -0.1482 -0.1392 -0.1392 -0.0142 -0.0142 0.0078 0.0078 0.1025 0.1025 0.1073 0.1073 0.1635 0.1635 0.1865 0.1865 0.2345 0.2345 0.2866 0.2866 0.3298 0.3298 0.3403 0.3403 0.3949 0.3949 0.4130 0.4130 0.5379 0.5379 0.5661 0.5661 0.6079 0.6079 0.6137 0.6137 0.6330 0.6330 0.6616 0.6616 0.6715 0.6715 0.6807 0.6807 0.7352 0.7352 0.7668 0.7668 0.7768 0.7768 0.7953 0.7953 0.8412 0.8412 0.8481 0.8481 1.0416 1.0416 1.1461 1.1461 1.6869 1.6869 2.3681 2.3681 3.3743 3.3743 3.5060 3.5060 4.6570 4.6570 4.8298 4.8298 5.0607 5.0607 5.3244 5.3244 6.1063 6.1063 6.5329 6.5329 6.6873 6.6873 7.0346 7.0346 9.4786 9.4786 9.7114 9.7114 10.2715 10.2715 10.6894 10.6894 10.8348 10.8348 11.2649 11.2649 12.0890 12.0890 12.2932 12.2932 12.5514 12.5514 k = 0.1875 0.5000 0.1875 ( 6304 PWs) bands (ev): -3.6153 -3.6153 -3.5883 -3.5883 -2.8884 -2.8884 -2.7950 -2.7950 -0.1591 -0.1591 -0.1511 -0.1511 -0.0187 -0.0187 0.0013 0.0013 0.0999 0.0999 0.1038 0.1038 0.1643 0.1643 0.1866 0.1866 0.2318 0.2318 0.2827 0.2827 0.3286 0.3286 0.3384 0.3384 0.3944 0.3944 0.4104 0.4104 0.5419 0.5419 0.5689 0.5689 0.6111 0.6111 0.6164 0.6164 0.6354 0.6354 0.6623 0.6623 0.6727 0.6727 0.6820 0.6820 0.7395 0.7395 0.7701 0.7701 0.7803 0.7803 0.7973 0.7973 0.8461 0.8461 0.8517 0.8517 1.0525 1.0525 1.1529 1.1529 1.7444 1.7444 2.4501 2.4501 3.3947 3.3947 3.4811 3.4811 4.6083 4.6083 4.8835 4.8835 4.9647 4.9647 5.2753 5.2753 6.0864 6.0864 6.5008 6.5008 6.6455 6.6455 7.0026 7.0026 9.4871 9.4871 9.7399 9.7399 10.3581 10.3581 10.7185 10.7185 10.8719 10.8719 11.1725 11.1725 12.0660 12.0660 12.2444 12.2444 12.6238 12.6238 k = 0.1750 0.5000 0.1750 ( 6300 PWs) bands (ev): -3.6318 -3.6318 -3.6078 -3.6078 -2.8672 -2.8672 -2.7843 -2.7843 -0.1695 -0.1695 -0.1624 -0.1624 -0.0231 -0.0231 -0.0048 -0.0048 0.0976 0.0976 0.1007 0.1007 0.1652 0.1652 0.1869 0.1869 0.2293 0.2293 0.2787 0.2787 0.3273 0.3273 0.3364 0.3364 0.3940 0.3940 0.4081 0.4081 0.5458 0.5458 0.5715 0.5715 0.6143 0.6143 0.6191 0.6191 0.6377 0.6377 0.6629 0.6629 0.6739 0.6739 0.6833 0.6833 0.7437 0.7437 0.7729 0.7729 0.7843 0.7843 0.7994 0.7994 0.8507 0.8507 0.8551 0.8551 1.0640 1.0640 1.1598 1.1598 1.8033 1.8033 2.5334 2.5334 3.2881 3.2881 3.5777 3.5777 4.5741 4.5741 4.8687 4.8687 4.9114 4.9114 5.2472 5.2472 6.0673 6.0673 6.4757 6.4757 6.6035 6.6035 6.9720 6.9720 9.4862 9.4862 9.7538 9.7538 10.4441 10.4441 10.7516 10.7516 10.9048 10.9048 11.0794 11.0794 12.0473 12.0473 12.2149 12.2149 12.6911 12.6911 k = 0.1625 0.5000 0.1625 ( 6300 PWs) bands (ev): -3.6476 -3.6476 -3.6265 -3.6265 -2.8466 -2.8466 -2.7738 -2.7738 -0.1795 -0.1795 -0.1732 -0.1732 -0.0272 -0.0272 -0.0106 -0.0106 0.0955 0.0955 0.0980 0.0980 0.1662 0.1662 0.1872 0.1872 0.2272 0.2272 0.2747 0.2747 0.3260 0.3260 0.3343 0.3343 0.3937 0.3937 0.4059 0.4059 0.5497 0.5497 0.5738 0.5738 0.6174 0.6174 0.6216 0.6216 0.6399 0.6399 0.6634 0.6634 0.6753 0.6753 0.6844 0.6844 0.7478 0.7478 0.7754 0.7754 0.7884 0.7884 0.8015 0.8015 0.8548 0.8548 0.8583 0.8583 1.0761 1.0761 1.1665 1.1665 1.8631 1.8631 2.6177 2.6177 3.1862 3.1862 3.6598 3.6598 4.5589 4.5589 4.7734 4.7734 4.9020 4.9020 5.2502 5.2502 6.0490 6.0490 6.4586 6.4586 6.5611 6.5611 6.9429 6.9429 9.4766 9.4766 9.7508 9.7508 10.5293 10.5293 10.7887 10.7887 10.9298 10.9298 10.9924 10.9924 12.0338 12.0338 12.2015 12.2015 12.6963 12.6963 k = 0.1500 0.5000 0.1500 ( 6308 PWs) bands (ev): -3.6624 -3.6624 -3.6442 -3.6442 -2.8266 -2.8266 -2.7636 -2.7636 -0.1890 -0.1890 -0.1833 -0.1833 -0.0312 -0.0312 -0.0161 -0.0161 0.0937 0.0937 0.0956 0.0956 0.1674 0.1674 0.1876 0.1876 0.2255 0.2255 0.2708 0.2708 0.3247 0.3247 0.3322 0.3322 0.3936 0.3936 0.4040 0.4040 0.5535 0.5535 0.5758 0.5758 0.6204 0.6204 0.6241 0.6241 0.6420 0.6420 0.6637 0.6637 0.6767 0.6767 0.6855 0.6855 0.7517 0.7517 0.7775 0.7775 0.7926 0.7926 0.8037 0.8037 0.8585 0.8585 0.8613 0.8613 1.0885 1.0885 1.1732 1.1732 1.9237 1.9237 2.7031 2.7031 3.0892 3.0892 3.7227 3.7227 4.5672 4.5672 4.6793 4.6793 4.8591 4.8591 5.2794 5.2794 6.0318 6.0318 6.4504 6.4504 6.5181 6.5181 6.9156 6.9156 9.4589 9.4589 9.7292 9.7292 10.6139 10.6139 10.8295 10.8295 10.9157 10.9157 10.9452 10.9452 12.0266 12.0266 12.2015 12.2015 12.6483 12.6483 k = 0.1375 0.5000 0.1375 ( 6308 PWs) bands (ev): -3.6763 -3.6763 -3.6608 -3.6608 -2.8076 -2.8076 -2.7538 -2.7538 -0.1979 -0.1979 -0.1927 -0.1927 -0.0350 -0.0350 -0.0213 -0.0213 0.0919 0.0919 0.0937 0.0937 0.1685 0.1685 0.1879 0.1879 0.2241 0.2241 0.2669 0.2669 0.3234 0.3234 0.3301 0.3301 0.3935 0.3935 0.4022 0.4022 0.5572 0.5572 0.5776 0.5776 0.6234 0.6234 0.6266 0.6266 0.6439 0.6439 0.6639 0.6639 0.6781 0.6781 0.6864 0.6864 0.7554 0.7554 0.7794 0.7794 0.7966 0.7966 0.8059 0.8059 0.8620 0.8620 0.8642 0.8642 1.1014 1.1014 1.1797 1.1797 1.9846 1.9846 2.7893 2.7893 2.9975 2.9975 3.7633 3.7633 4.5849 4.5849 4.6036 4.6036 4.7963 4.7963 5.3201 5.3201 6.0156 6.0156 6.4516 6.4516 6.4742 6.4742 6.8901 6.8901 9.4337 9.4337 9.6888 9.6888 10.6976 10.6976 10.8547 10.8547 10.8737 10.8737 10.9472 10.9472 12.0260 12.0260 12.2126 12.2126 12.6223 12.6223 k = 0.1250 0.5000 0.1250 ( 6326 PWs) bands (ev): -3.6892 -3.6892 -3.6762 -3.6762 -2.7895 -2.7895 -2.7444 -2.7444 -0.2061 -0.2061 -0.2015 -0.2015 -0.0385 -0.0385 -0.0262 -0.0262 0.0903 0.0903 0.0921 0.0921 0.1697 0.1697 0.1882 0.1882 0.2230 0.2230 0.2631 0.2631 0.3220 0.3220 0.3280 0.3280 0.3934 0.3934 0.4007 0.4007 0.5607 0.5607 0.5790 0.5790 0.6261 0.6261 0.6291 0.6291 0.6457 0.6457 0.6639 0.6639 0.6796 0.6796 0.6873 0.6873 0.7591 0.7591 0.7810 0.7810 0.8004 0.8004 0.8081 0.8081 0.8651 0.8651 0.8667 0.8667 1.1145 1.1145 1.1859 1.1859 2.0455 2.0455 2.8746 2.8746 2.9133 2.9133 3.7827 3.7827 4.4960 4.4960 4.6617 4.6617 4.7228 4.7228 5.3624 5.3624 6.0006 6.0006 6.4286 6.4286 6.4630 6.4630 6.8665 6.8665 9.4020 9.4020 9.6317 9.6317 10.7800 10.7800 10.8089 10.8089 10.9209 10.9209 10.9376 10.9376 12.0312 12.0312 12.2330 12.2330 12.6186 12.6186 k = 0.1125 0.5000 0.1125 ( 6318 PWs) bands (ev): -3.7010 -3.7010 -3.6904 -3.6904 -2.7727 -2.7727 -2.7356 -2.7356 -0.2137 -0.2137 -0.2095 -0.2095 -0.0417 -0.0417 -0.0307 -0.0307 0.0888 0.0888 0.0908 0.0908 0.1710 0.1710 0.1884 0.1884 0.2225 0.2225 0.2594 0.2594 0.3208 0.3208 0.3260 0.3260 0.3934 0.3934 0.3993 0.3993 0.5640 0.5640 0.5802 0.5802 0.6288 0.6288 0.6316 0.6316 0.6474 0.6474 0.6638 0.6638 0.6811 0.6811 0.6880 0.6880 0.7626 0.7626 0.7825 0.7825 0.8041 0.8041 0.8102 0.8102 0.8680 0.8680 0.8692 0.8692 1.1278 1.1278 1.1919 1.1919 2.1057 2.1057 2.8299 2.8299 2.9659 2.9659 3.7853 3.7853 4.4087 4.4087 4.6424 4.6424 4.7420 4.7420 5.4010 5.4010 5.9868 5.9868 6.3816 6.3816 6.4834 6.4834 6.8449 6.8449 9.3647 9.3647 9.5617 9.5617 10.7766 10.7766 10.8608 10.8608 10.9183 10.9183 10.9710 10.9710 12.0406 12.0406 12.2614 12.2614 12.6362 12.6362 k = 0.1000 0.5000 0.1000 ( 6324 PWs) bands (ev): -3.7117 -3.7117 -3.7032 -3.7032 -2.7571 -2.7571 -2.7275 -2.7275 -0.2205 -0.2205 -0.2168 -0.2168 -0.0447 -0.0447 -0.0349 -0.0349 0.0875 0.0875 0.0896 0.0896 0.1722 0.1722 0.1884 0.1884 0.2223 0.2223 0.2559 0.2559 0.3195 0.3195 0.3241 0.3241 0.3934 0.3934 0.3981 0.3981 0.5670 0.5670 0.5812 0.5812 0.6313 0.6313 0.6340 0.6340 0.6489 0.6489 0.6636 0.6636 0.6825 0.6825 0.6885 0.6885 0.7659 0.7659 0.7837 0.7837 0.8074 0.8074 0.8122 0.8122 0.8705 0.8705 0.8714 0.8714 1.1410 1.1410 1.1974 1.1974 2.1646 2.1646 2.7564 2.7564 3.0544 3.0544 3.7768 3.7768 4.3252 4.3252 4.5588 4.5588 4.8356 4.8356 5.4341 5.4341 5.9742 5.9742 6.3324 6.3324 6.5123 6.5123 6.8254 6.8254 9.3230 9.3230 9.4837 9.4837 10.7555 10.7555 10.8906 10.8906 10.9407 10.9407 11.0232 11.0232 12.0518 12.0518 12.2962 12.2962 12.5921 12.5921 k = 0.0875 0.5000 0.0875 ( 6324 PWs) bands (ev): -3.7212 -3.7212 -3.7147 -3.7147 -2.7431 -2.7431 -2.7201 -2.7201 -0.2266 -0.2266 -0.2233 -0.2233 -0.0472 -0.0472 -0.0387 -0.0387 0.0865 0.0865 0.0886 0.0886 0.1735 0.1735 0.1882 0.1882 0.2226 0.2226 0.2525 0.2525 0.3184 0.3184 0.3223 0.3223 0.3934 0.3934 0.3971 0.3971 0.5698 0.5698 0.5819 0.5819 0.6336 0.6336 0.6363 0.6363 0.6502 0.6502 0.6632 0.6632 0.6838 0.6838 0.6890 0.6890 0.7691 0.7691 0.7847 0.7847 0.8103 0.8103 0.8141 0.8141 0.8728 0.8728 0.8734 0.8734 1.1539 1.1539 1.2025 1.2025 2.2213 2.2213 2.6894 2.6894 3.1437 3.1437 3.7621 3.7621 4.2464 4.2464 4.4725 4.4725 4.9379 4.9379 5.4608 5.4608 5.9631 5.9631 6.2807 6.2807 6.5477 6.5477 6.8081 6.8081 9.2784 9.2784 9.4028 9.4028 10.7426 10.7426 10.8611 10.8611 11.0161 11.0161 11.0771 11.0771 12.0632 12.0632 12.3361 12.3361 12.5039 12.5039 k = 0.0750 0.5000 0.0750 ( 6324 PWs) bands (ev): -3.7296 -3.7296 -3.7248 -3.7248 -2.7306 -2.7306 -2.7135 -2.7135 -0.2318 -0.2318 -0.2291 -0.2291 -0.0494 -0.0494 -0.0421 -0.0421 0.0857 0.0857 0.0877 0.0877 0.1747 0.1747 0.1879 0.1879 0.2233 0.2233 0.2493 0.2493 0.3174 0.3174 0.3207 0.3207 0.3934 0.3934 0.3962 0.3962 0.5723 0.5723 0.5824 0.5824 0.6357 0.6357 0.6384 0.6384 0.6514 0.6514 0.6627 0.6627 0.6850 0.6850 0.6893 0.6893 0.7720 0.7720 0.7855 0.7855 0.8130 0.8130 0.8157 0.8157 0.8747 0.8747 0.8752 0.8752 1.1663 1.1663 1.2069 1.2069 2.2750 2.2750 2.6298 2.6298 3.2333 3.2333 3.7448 3.7448 4.1734 4.1734 4.3847 4.3847 5.0442 5.0442 5.4815 5.4815 5.9533 5.9533 6.2262 6.2262 6.5872 6.5872 6.7929 6.7929 9.2328 9.2328 9.3236 9.3236 10.7352 10.7352 10.8306 10.8306 11.0876 11.0876 11.1319 11.1319 12.0736 12.0736 12.3793 12.3793 12.4181 12.4181 k = 0.0625 0.5000 0.0625 ( 6332 PWs) bands (ev): -3.7367 -3.7367 -3.7333 -3.7333 -2.7198 -2.7198 -2.7078 -2.7078 -0.2363 -0.2363 -0.2340 -0.2340 -0.0512 -0.0512 -0.0451 -0.0451 0.0850 0.0850 0.0869 0.0869 0.1760 0.1760 0.1873 0.1873 0.2244 0.2244 0.2462 0.2462 0.3165 0.3165 0.3193 0.3193 0.3935 0.3935 0.3955 0.3955 0.5745 0.5745 0.5828 0.5828 0.6377 0.6377 0.6403 0.6403 0.6524 0.6524 0.6620 0.6620 0.6861 0.6861 0.6895 0.6895 0.7747 0.7747 0.7860 0.7860 0.8152 0.8152 0.8172 0.8172 0.8764 0.8764 0.8767 0.8767 1.1779 1.1779 1.2107 1.2107 2.3242 2.3242 2.5779 2.5779 3.3228 3.3228 3.7274 3.7274 4.1076 4.1076 4.2961 4.2961 5.1510 5.1510 5.4970 5.4970 5.9449 5.9449 6.1687 6.1687 6.6280 6.6280 6.7801 6.7801 9.1881 9.1881 9.2501 9.2501 10.7314 10.7314 10.8020 10.8020 11.1538 11.1538 11.1862 11.1862 12.0825 12.0825 12.3361 12.3361 12.4251 12.4251 k = 0.0500 0.5000 0.0500 ( 6336 PWs) bands (ev): -3.7426 -3.7426 -3.7404 -3.7404 -2.7108 -2.7108 -2.7031 -2.7031 -0.2399 -0.2399 -0.2381 -0.2381 -0.0526 -0.0526 -0.0477 -0.0477 0.0846 0.0846 0.0862 0.0862 0.1772 0.1772 0.1865 0.1865 0.2257 0.2257 0.2433 0.2433 0.3158 0.3158 0.3180 0.3180 0.3935 0.3935 0.3949 0.3949 0.5765 0.5765 0.5829 0.5829 0.6395 0.6395 0.6419 0.6419 0.6534 0.6534 0.6613 0.6613 0.6870 0.6870 0.6896 0.6896 0.7772 0.7772 0.7862 0.7862 0.8171 0.8171 0.8185 0.8185 0.8778 0.8778 0.8780 0.8780 1.1884 1.1884 1.2136 1.2136 2.3677 2.3677 2.5345 2.5345 3.4117 3.4117 3.7114 3.7114 4.0504 4.0504 4.2076 4.2076 5.2549 5.2549 5.5082 5.5082 5.9380 5.9380 6.1089 6.1089 6.6669 6.6669 6.7694 6.7694 9.1469 9.1469 9.1856 9.1856 10.7297 10.7297 10.7769 10.7769 11.2130 11.2130 11.2379 11.2379 12.0898 12.0898 12.2621 12.2621 12.4696 12.4696 k = 0.0375 0.5000 0.0375 ( 6344 PWs) bands (ev): -3.7471 -3.7471 -3.7459 -3.7459 -2.7038 -2.7038 -2.6994 -2.6994 -0.2427 -0.2427 -0.2413 -0.2413 -0.0536 -0.0536 -0.0499 -0.0499 0.0843 0.0843 0.0856 0.0856 0.1785 0.1785 0.1856 0.1856 0.2273 0.2273 0.2405 0.2405 0.3153 0.3153 0.3170 0.3170 0.3935 0.3935 0.3945 0.3945 0.5781 0.5781 0.5828 0.5828 0.6411 0.6411 0.6431 0.6431 0.6543 0.6543 0.6604 0.6604 0.6878 0.6878 0.6896 0.6896 0.7794 0.7794 0.7861 0.7861 0.8185 0.8185 0.8194 0.8194 0.8788 0.8788 0.8790 0.8790 1.1974 1.1974 1.2156 1.2156 2.4040 2.4040 2.5000 2.5000 3.4986 3.4986 3.6981 3.6981 4.0035 4.0035 4.1208 4.1208 5.3522 5.3522 5.5159 5.5159 5.9326 5.9326 6.0481 6.0481 6.7011 6.7011 6.7612 6.7612 9.1114 9.1114 9.1326 9.1326 10.7291 10.7291 10.7565 10.7565 11.2641 11.2641 11.2835 11.2835 12.0956 12.0956 12.1981 12.1981 12.5106 12.5106 k = 0.0250 0.5000 0.0250 ( 6346 PWs) bands (ev): -3.7504 -3.7504 -3.7499 -3.7499 -2.6987 -2.6987 -2.6967 -2.6967 -0.2446 -0.2446 -0.2437 -0.2437 -0.0541 -0.0541 -0.0516 -0.0516 0.0842 0.0842 0.0851 0.0851 0.1797 0.1797 0.1846 0.1846 0.2291 0.2291 0.2380 0.2380 0.3150 0.3150 0.3161 0.3161 0.3936 0.3936 0.3941 0.3941 0.5795 0.5795 0.5826 0.5826 0.6424 0.6424 0.6439 0.6439 0.6553 0.6553 0.6594 0.6594 0.6884 0.6884 0.6896 0.6896 0.7813 0.7813 0.7858 0.7858 0.8196 0.8196 0.8201 0.8201 0.8796 0.8796 0.8798 0.8798 1.2048 1.2048 1.2165 1.2165 2.4313 2.4313 2.4750 2.4750 3.5807 3.5807 3.6882 3.6882 3.9685 3.9685 4.0388 4.0388 5.4373 5.4373 5.5209 5.5209 5.9288 5.9288 5.9904 5.9904 6.7277 6.7277 6.7552 6.7552 9.0841 9.0841 9.0933 9.0933 10.7291 10.7291 10.7416 10.7416 11.3051 11.3051 11.3189 11.3189 12.0996 12.0996 12.1476 12.1476 12.5445 12.5445 k = 0.0125 0.5000 0.0125 ( 6346 PWs) bands (ev): -3.7524 -3.7524 -3.7523 -3.7523 -2.6956 -2.6956 -2.6951 -2.6951 -0.2457 -0.2457 -0.2453 -0.2453 -0.0541 -0.0541 -0.0529 -0.0529 0.0842 0.0842 0.0847 0.0847 0.1810 0.1810 0.1834 0.1834 0.2311 0.2311 0.2355 0.2355 0.3149 0.3149 0.3155 0.3155 0.3936 0.3936 0.3939 0.3939 0.5806 0.5806 0.5821 0.5821 0.6434 0.6434 0.6442 0.6442 0.6563 0.6563 0.6584 0.6584 0.6888 0.6888 0.6894 0.6894 0.7829 0.7829 0.7851 0.7851 0.8203 0.8203 0.8205 0.8205 0.8801 0.8801 0.8802 0.8802 1.2103 1.2103 1.2160 1.2160 2.4484 2.4484 2.4598 2.4598 3.6492 3.6492 3.6820 3.6820 3.9467 3.9467 3.9702 3.9702 5.5002 5.5002 5.5237 5.5237 5.9264 5.9264 5.9444 5.9444 6.7446 6.7446 6.7517 6.7517 9.0669 9.0669 9.0692 9.0692 10.7292 10.7292 10.7324 10.7324 11.3332 11.3332 11.3405 11.3405 12.1021 12.1021 12.1149 12.1149 12.5672 12.5672 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -3.7531 -3.7531 -3.7531 -3.7531 -2.6946 -2.6946 -2.6946 -2.6946 -0.2460 -0.2460 -0.2460 -0.2460 -0.0538 -0.0538 -0.0538 -0.0538 0.0844 0.0844 0.0844 0.0844 0.1822 0.1822 0.1822 0.1822 0.2332 0.2332 0.2332 0.2332 0.3151 0.3151 0.3151 0.3151 0.3937 0.3937 0.3937 0.3937 0.5814 0.5814 0.5814 0.5814 0.6440 0.6440 0.6440 0.6440 0.6573 0.6573 0.6573 0.6573 0.6891 0.6891 0.6891 0.6891 0.7841 0.7841 0.7841 0.7841 0.8205 0.8205 0.8205 0.8205 0.8803 0.8803 0.8803 0.8803 1.2140 1.2140 1.2140 1.2140 2.4545 2.4545 2.4545 2.4545 3.6800 3.6800 3.6800 3.6800 3.9394 3.9394 3.9394 3.9394 5.5245 5.5245 5.5245 5.5245 5.9257 5.9257 5.9257 5.9257 6.7505 6.7505 6.7505 6.7505 9.0610 9.0610 9.0610 9.0610 10.7293 10.7293 10.7293 10.7293 11.3455 11.3455 11.3455 11.3455 12.1032 12.1032 12.1032 12.1032 12.5753 12.5753 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -3.3592 -3.3592 -3.3592 -3.3592 -3.1103 -3.1103 -3.1103 -3.1103 -0.0834 -0.0834 -0.0834 -0.0834 -0.0000 -0.0000 -0.0000 -0.0000 0.1575 0.1575 0.1575 0.1575 0.2423 0.2423 0.2423 0.2423 0.2667 0.2667 0.2667 0.2667 0.3417 0.3417 0.3417 0.3417 0.4534 0.4534 0.4534 0.4534 0.4700 0.4700 0.4700 0.4700 0.5669 0.5669 0.5669 0.5669 0.6381 0.6381 0.6381 0.6381 0.6586 0.6586 0.6586 0.6586 0.6809 0.6809 0.6809 0.6809 0.7501 0.7501 0.7501 0.7501 0.8046 0.8046 0.8046 0.8046 0.8528 0.8528 0.8528 0.8528 2.7531 2.7531 2.7531 2.7531 3.3613 3.3613 3.3613 3.3613 3.8564 3.8564 3.8564 3.8564 5.3923 5.3923 5.3923 5.3923 6.2641 6.2641 6.2641 6.2641 7.3949 7.3949 7.3949 7.3949 9.3710 9.3710 9.3710 9.3710 10.5904 10.5904 10.5904 10.5904 11.7390 11.7390 11.7390 11.7390 12.8222 12.8222 12.8222 12.8222 12.9041 12.9041 k = 0.5000 0.5000 0.0179 ( 6264 PWs) bands (ev): -3.3589 -3.3589 -3.3588 -3.3588 -3.1206 -3.1206 -3.0997 -3.0997 -0.0832 -0.0832 -0.0827 -0.0827 -0.0012 -0.0012 0.0015 0.0015 0.1563 0.1563 0.1586 0.1586 0.2407 0.2407 0.2441 0.2441 0.2665 0.2665 0.2670 0.2670 0.3410 0.3410 0.3425 0.3425 0.4513 0.4513 0.4549 0.4549 0.4681 0.4681 0.4726 0.4726 0.5655 0.5655 0.5682 0.5682 0.6373 0.6373 0.6386 0.6386 0.6579 0.6579 0.6595 0.6595 0.6803 0.6803 0.6813 0.6813 0.7494 0.7494 0.7506 0.7506 0.8028 0.8028 0.8066 0.8066 0.8516 0.8516 0.8537 0.8537 2.7386 2.7386 2.7425 2.7425 3.2522 3.2522 3.4717 3.4717 3.8692 3.8692 3.8723 3.8723 5.2914 5.2914 5.4952 5.4952 6.2644 6.2644 6.2652 6.2652 7.3948 7.3948 7.3955 7.3955 9.3693 9.3693 9.3697 9.3697 10.5326 10.5326 10.6427 10.6427 11.7270 11.7270 11.7274 11.7274 12.8159 12.8159 12.8291 12.8291 12.8382 12.8382 k = 0.5000 0.5000 0.0357 ( 6272 PWs) bands (ev): -3.3580 -3.3580 -3.3578 -3.3578 -3.1306 -3.1306 -3.0888 -3.0888 -0.0822 -0.0822 -0.0811 -0.0811 -0.0020 -0.0020 0.0034 0.0034 0.1552 0.1552 0.1598 0.1598 0.2393 0.2393 0.2461 0.2461 0.2664 0.2664 0.2675 0.2675 0.3404 0.3404 0.3433 0.3433 0.4490 0.4490 0.4555 0.4555 0.4675 0.4675 0.4756 0.4756 0.5639 0.5639 0.5694 0.5694 0.6363 0.6363 0.6389 0.6389 0.6573 0.6573 0.6605 0.6605 0.6797 0.6797 0.6817 0.6817 0.7485 0.7485 0.7508 0.7508 0.8011 0.8011 0.8088 0.8088 0.8503 0.8503 0.8545 0.8545 2.7011 2.7011 2.7085 2.7085 3.1445 3.1445 3.5830 3.5830 3.9091 3.9091 3.9149 3.9149 5.1932 5.1932 5.5999 5.5999 6.2660 6.2660 6.2676 6.2676 7.3953 7.3953 7.3967 7.3967 9.3645 9.3645 9.3653 9.3653 10.4688 10.4688 10.6900 10.6900 11.6933 11.6933 11.6942 11.6942 12.7167 12.7167 12.7799 12.7799 12.8727 12.8727 k = 0.5000 0.5000 0.0536 ( 6264 PWs) bands (ev): -3.3564 -3.3564 -3.3563 -3.3563 -3.1402 -3.1402 -3.0776 -3.0776 -0.0804 -0.0804 -0.0787 -0.0787 -0.0024 -0.0024 0.0058 0.0058 0.1543 0.1543 0.1610 0.1610 0.2383 0.2383 0.2483 0.2483 0.2666 0.2666 0.2681 0.2681 0.3398 0.3398 0.3442 0.3442 0.4465 0.4465 0.4549 0.4549 0.4682 0.4682 0.4790 0.4790 0.5622 0.5622 0.5704 0.5704 0.6352 0.6352 0.6390 0.6390 0.6569 0.6569 0.6616 0.6616 0.6791 0.6791 0.6820 0.6820 0.7476 0.7476 0.7508 0.7508 0.7996 0.7996 0.8109 0.8109 0.8487 0.8487 0.8552 0.8552 2.6451 2.6451 2.6554 2.6554 3.0385 3.0385 3.6948 3.6948 3.9717 3.9717 3.9795 3.9795 5.0980 5.0980 5.7061 5.7061 6.2690 6.2690 6.2714 6.2714 7.3963 7.3963 7.3984 7.3984 9.3564 9.3564 9.3576 9.3576 10.3986 10.3986 10.7331 10.7331 11.6425 11.6425 11.6441 11.6441 12.6080 12.6080 12.7279 12.7279 12.9285 12.9285 k = 0.5000 0.5000 0.0714 ( 6280 PWs) bands (ev): -3.3543 -3.3543 -3.3541 -3.3541 -3.1495 -3.1495 -3.0662 -3.0662 -0.0779 -0.0779 -0.0755 -0.0755 -0.0023 -0.0023 0.0087 0.0087 0.1534 0.1534 0.1622 0.1622 0.2376 0.2376 0.2505 0.2505 0.2670 0.2670 0.2689 0.2689 0.3393 0.3393 0.3452 0.3452 0.4440 0.4440 0.4537 0.4537 0.4699 0.4699 0.4826 0.4826 0.5605 0.5605 0.5713 0.5713 0.6340 0.6340 0.6389 0.6389 0.6566 0.6566 0.6629 0.6629 0.6783 0.6783 0.6822 0.6822 0.7466 0.7466 0.7504 0.7504 0.7984 0.7984 0.8130 0.8130 0.8468 0.8468 0.8560 0.8560 2.5759 2.5759 2.5884 2.5884 2.9343 2.9343 3.8064 3.8064 4.0519 4.0519 4.0609 4.0609 5.0067 5.0067 5.8134 5.8134 6.2732 6.2732 6.2765 6.2765 7.3979 7.3979 7.4006 7.4006 9.3449 9.3449 9.3464 9.3464 10.3219 10.3219 10.7727 10.7727 11.5800 11.5800 11.5824 11.5824 12.4960 12.4960 12.6854 12.6854 12.9371 12.9371 k = 0.5000 0.5000 0.0893 ( 6280 PWs) bands (ev): -3.3516 -3.3516 -3.3513 -3.3513 -3.1584 -3.1584 -3.0546 -3.0546 -0.0746 -0.0746 -0.0715 -0.0715 -0.0017 -0.0017 0.0120 0.0120 0.1527 0.1527 0.1633 0.1633 0.2372 0.2372 0.2528 0.2528 0.2676 0.2676 0.2697 0.2697 0.3389 0.3389 0.3463 0.3463 0.4414 0.4414 0.4521 0.4521 0.4722 0.4722 0.4864 0.4864 0.5586 0.5586 0.5720 0.5720 0.6326 0.6326 0.6386 0.6386 0.6564 0.6564 0.6641 0.6641 0.6775 0.6775 0.6824 0.6824 0.7456 0.7456 0.7498 0.7498 0.7975 0.7975 0.8150 0.8150 0.8446 0.8446 0.8570 0.8570 2.4977 2.4977 2.5119 2.5119 2.8319 2.8319 3.9168 3.9168 4.1451 4.1451 4.1548 4.1548 4.9204 4.9204 5.9216 5.9216 6.2787 6.2787 6.2829 6.2829 7.4000 7.4000 7.4034 7.4034 9.3295 9.3295 9.3314 9.3314 10.2386 10.2386 10.8095 10.8095 11.5105 11.5105 11.5140 11.5140 12.3829 12.3829 12.6527 12.6527 12.8659 12.8659 k = 0.5000 0.5000 0.1071 ( 6292 PWs) bands (ev): -3.3483 -3.3483 -3.3480 -3.3480 -3.1668 -3.1668 -3.0429 -3.0429 -0.0707 -0.0707 -0.0668 -0.0668 -0.0006 -0.0006 0.0159 0.0159 0.1522 0.1522 0.1644 0.1644 0.2372 0.2372 0.2550 0.2550 0.2685 0.2685 0.2707 0.2707 0.3386 0.3386 0.3475 0.3475 0.4388 0.4388 0.4506 0.4506 0.4748 0.4748 0.4903 0.4903 0.5567 0.5567 0.5725 0.5725 0.6310 0.6310 0.6380 0.6380 0.6562 0.6562 0.6655 0.6655 0.6766 0.6766 0.6825 0.6825 0.7447 0.7447 0.7487 0.7487 0.7970 0.7970 0.8167 0.8167 0.8421 0.8421 0.8583 0.8583 2.4139 2.4139 2.4294 2.4294 2.7316 2.7316 4.0237 4.0237 4.2478 4.2478 4.2579 4.2579 4.8414 4.8414 6.0302 6.0302 6.2854 6.2854 6.2906 6.2906 7.4026 7.4026 7.4066 7.4066 9.3101 9.3101 9.3122 9.3122 10.1490 10.1490 10.8440 10.8440 11.4379 11.4379 11.4426 11.4426 12.2705 12.2705 12.6294 12.6294 12.7804 12.7804 k = 0.5000 0.5000 0.1250 ( 6292 PWs) bands (ev): -3.3446 -3.3446 -3.3442 -3.3442 -3.1749 -3.1749 -3.0311 -3.0311 -0.0663 -0.0663 -0.0615 -0.0615 0.0013 0.0013 0.0205 0.0205 0.1519 0.1519 0.1655 0.1655 0.2375 0.2375 0.2571 0.2571 0.2697 0.2697 0.2717 0.2717 0.3383 0.3383 0.3488 0.3488 0.4362 0.4362 0.4492 0.4492 0.4776 0.4776 0.4944 0.4944 0.5547 0.5547 0.5728 0.5728 0.6294 0.6294 0.6373 0.6373 0.6562 0.6562 0.6667 0.6667 0.6755 0.6755 0.6826 0.6826 0.7439 0.7439 0.7474 0.7474 0.7970 0.7970 0.8179 0.8179 0.8394 0.8394 0.8602 0.8602 2.3268 2.3268 2.3434 2.3434 2.6333 2.6333 4.1232 4.1232 4.3575 4.3575 4.3676 4.3676 4.7739 4.7739 6.1391 6.1391 6.2931 6.2931 6.2994 6.2994 7.4057 7.4057 7.4104 7.4104 9.2861 9.2861 9.2883 9.2883 10.0534 10.0534 10.8769 10.8769 11.3650 11.3650 11.3711 11.3711 12.1598 12.1598 12.6143 12.6143 12.6892 12.6892 k = 0.5000 0.5000 0.1429 ( 6292 PWs) bands (ev): -3.3403 -3.3403 -3.3399 -3.3399 -3.1826 -3.1826 -3.0193 -3.0193 -0.0615 -0.0615 -0.0558 -0.0558 0.0039 0.0039 0.0258 0.0258 0.1518 0.1518 0.1665 0.1665 0.2382 0.2382 0.2589 0.2589 0.2713 0.2713 0.2729 0.2729 0.3382 0.3382 0.3501 0.3501 0.4335 0.4335 0.4479 0.4479 0.4806 0.4806 0.4984 0.4984 0.5527 0.5527 0.5730 0.5730 0.6277 0.6277 0.6365 0.6365 0.6561 0.6561 0.6679 0.6679 0.6743 0.6743 0.6828 0.6828 0.7433 0.7433 0.7457 0.7457 0.7975 0.7975 0.8186 0.8186 0.8365 0.8365 0.8627 0.8627 2.2381 2.2381 2.2557 2.2557 2.5373 2.5373 4.2066 4.2066 4.4725 4.4725 4.4823 4.4823 4.7264 4.7264 6.2477 6.2477 6.3019 6.3019 6.3095 6.3095 7.4093 7.4093 7.4146 7.4146 9.2571 9.2571 9.2594 9.2594 9.9524 9.9524 10.9088 10.9088 11.2940 11.2940 11.3017 11.3017 12.0513 12.0513 12.5802 12.5802 12.6233 12.6233 k = 0.5000 0.5000 0.1607 ( 6312 PWs) bands (ev): -3.3357 -3.3357 -3.3352 -3.3352 -3.1898 -3.1898 -3.0074 -3.0074 -0.0565 -0.0565 -0.0500 -0.0500 0.0077 0.0077 0.0320 0.0320 0.1520 0.1520 0.1674 0.1674 0.2391 0.2391 0.2605 0.2605 0.2732 0.2732 0.2741 0.2741 0.3380 0.3380 0.3515 0.3515 0.4309 0.4309 0.4468 0.4468 0.4837 0.4837 0.5024 0.5024 0.5506 0.5506 0.5729 0.5729 0.6259 0.6259 0.6354 0.6354 0.6561 0.6561 0.6687 0.6687 0.6728 0.6728 0.6831 0.6831 0.7430 0.7430 0.7438 0.7438 0.7984 0.7984 0.8188 0.8188 0.8335 0.8335 0.8660 0.8660 2.1490 2.1490 2.1674 2.1674 2.4436 2.4436 4.2590 4.2590 4.5913 4.5913 4.6005 4.6005 4.7141 4.7141 6.3116 6.3116 6.3193 6.3193 6.3570 6.3570 7.4134 7.4134 7.4193 7.4193 9.2226 9.2226 9.2251 9.2251 9.8463 9.8463 10.9399 10.9399 11.2265 11.2265 11.2358 11.2358 11.9458 11.9458 12.4898 12.4898 12.6219 12.6219 k = 0.5000 0.5000 0.1786 ( 6304 PWs) bands (ev): -3.3307 -3.3307 -3.3301 -3.3301 -3.1967 -3.1967 -2.9957 -2.9957 -0.0515 -0.0515 -0.0444 -0.0444 0.0128 0.0128 0.0392 0.0392 0.1524 0.1524 0.1683 0.1683 0.2404 0.2404 0.2619 0.2619 0.2753 0.2753 0.2754 0.2754 0.3380 0.3380 0.3531 0.3531 0.4282 0.4282 0.4460 0.4460 0.4870 0.4870 0.5064 0.5064 0.5487 0.5487 0.5727 0.5727 0.6241 0.6241 0.6341 0.6341 0.6561 0.6561 0.6693 0.6693 0.6710 0.6710 0.6836 0.6836 0.7415 0.7415 0.7432 0.7432 0.7999 0.7999 0.8183 0.8183 0.8305 0.8305 0.8700 0.8700 2.0603 2.0603 2.0794 2.0794 2.3522 2.3522 4.2679 4.2679 4.7129 4.7129 4.7201 4.7201 4.7506 4.7506 6.3221 6.3221 6.3314 6.3314 6.4640 6.4640 7.4180 7.4180 7.4245 7.4245 9.1824 9.1824 9.1848 9.1848 9.7359 9.7359 10.9708 10.9708 11.1637 11.1637 11.1748 11.1748 11.8435 11.8435 12.3952 12.3952 12.6339 12.6339 k = 0.5000 0.5000 0.1964 ( 6312 PWs) bands (ev): -3.3253 -3.3253 -3.3247 -3.3247 -3.2031 -3.2031 -2.9840 -2.9840 -0.0465 -0.0465 -0.0392 -0.0392 0.0196 0.0196 0.0476 0.0476 0.1530 0.1530 0.1692 0.1692 0.2419 0.2419 0.2631 0.2631 0.2767 0.2767 0.2778 0.2778 0.3380 0.3380 0.3547 0.3547 0.4256 0.4256 0.4453 0.4453 0.4904 0.4904 0.5101 0.5101 0.5469 0.5469 0.5722 0.5722 0.6223 0.6223 0.6326 0.6326 0.6561 0.6561 0.6689 0.6689 0.6694 0.6694 0.6843 0.6843 0.7390 0.7390 0.7438 0.7438 0.8017 0.8017 0.8174 0.8174 0.8277 0.8277 0.8747 0.8747 1.9729 1.9729 1.9926 1.9926 2.2632 2.2632 4.2406 4.2406 4.8211 4.8211 4.8367 4.8367 4.8480 4.8480 6.3332 6.3332 6.3439 6.3439 6.5702 6.5702 7.4231 7.4231 7.4301 7.4301 9.1360 9.1360 9.1384 9.1384 9.6216 9.6216 11.0013 11.0013 11.1067 11.1067 11.1193 11.1193 11.7449 11.7449 12.3023 12.3023 12.6540 12.6540 k = 0.5000 0.5000 0.2143 ( 6312 PWs) bands (ev): -3.3198 -3.3198 -3.3191 -3.3191 -3.2091 -3.2091 -2.9725 -2.9725 -0.0417 -0.0417 -0.0347 -0.0347 0.0281 0.0281 0.0572 0.0572 0.1540 0.1540 0.1700 0.1700 0.2438 0.2438 0.2641 0.2641 0.2780 0.2780 0.2802 0.2802 0.3381 0.3381 0.3563 0.3563 0.4230 0.4230 0.4449 0.4449 0.4939 0.4939 0.5134 0.5134 0.5454 0.5454 0.5714 0.5714 0.6205 0.6205 0.6310 0.6310 0.6562 0.6562 0.6664 0.6664 0.6691 0.6691 0.6853 0.6853 0.7362 0.7362 0.7450 0.7450 0.8036 0.8036 0.8161 0.8161 0.8258 0.8258 0.8799 0.8799 1.8871 1.8871 1.9073 1.9073 2.1768 2.1768 4.1938 4.1938 4.9209 4.9209 4.9618 4.9618 4.9713 4.9713 6.3449 6.3449 6.3569 6.3569 6.6747 6.6747 7.4286 7.4286 7.4361 7.4361 9.0835 9.0835 9.0858 9.0858 9.5042 9.5042 11.0289 11.0289 11.0588 11.0588 11.0700 11.0700 11.6502 11.6502 12.2122 12.2122 12.6812 12.6812 k = 0.5000 0.5000 0.2321 ( 6296 PWs) bands (ev): -3.3140 -3.3140 -3.3133 -3.3133 -3.2147 -3.2147 -2.9613 -2.9613 -0.0373 -0.0373 -0.0308 -0.0308 0.0386 0.0386 0.0681 0.0681 0.1552 0.1552 0.1708 0.1708 0.2459 0.2459 0.2651 0.2651 0.2795 0.2795 0.2827 0.2827 0.3383 0.3383 0.3580 0.3580 0.4205 0.4205 0.4446 0.4446 0.4974 0.4974 0.5160 0.5160 0.5444 0.5444 0.5703 0.5703 0.6186 0.6186 0.6291 0.6291 0.6562 0.6562 0.6638 0.6638 0.6684 0.6684 0.6865 0.6865 0.7332 0.7332 0.7467 0.7467 0.8048 0.8048 0.8146 0.8146 0.8256 0.8256 0.8857 0.8857 1.8035 1.8035 1.8240 1.8240 2.0930 2.0930 4.1391 4.1391 5.0316 5.0316 5.0877 5.0877 5.0964 5.0964 6.3570 6.3570 6.3704 6.3704 6.7772 6.7772 7.4346 7.4346 7.4426 7.4426 9.0246 9.0246 9.0269 9.0269 9.3842 9.3842 11.0068 11.0068 11.0271 11.0271 11.0673 11.0673 11.5598 11.5598 12.1255 12.1255 12.7147 12.7147 k = 0.5000 0.5000 0.2500 ( 6296 PWs) bands (ev): -3.3082 -3.3082 -3.3073 -3.3073 -3.2199 -3.2199 -2.9503 -2.9503 -0.0334 -0.0334 -0.0277 -0.0277 0.0507 0.0507 0.0804 0.0804 0.1566 0.1566 0.1715 0.1715 0.2482 0.2482 0.2659 0.2659 0.2809 0.2809 0.2851 0.2851 0.3385 0.3385 0.3598 0.3598 0.4180 0.4180 0.4445 0.4445 0.5010 0.5010 0.5178 0.5178 0.5440 0.5440 0.5689 0.5689 0.6168 0.6168 0.6270 0.6270 0.6563 0.6563 0.6610 0.6610 0.6674 0.6674 0.6876 0.6876 0.7299 0.7299 0.7488 0.7488 0.8050 0.8050 0.8130 0.8130 0.8279 0.8279 0.8918 0.8918 1.7224 1.7224 1.7431 1.7431 2.0119 2.0119 4.0819 4.0819 5.1486 5.1486 5.2139 5.2139 5.2218 5.2218 6.3694 6.3694 6.3842 6.3842 6.8770 6.8770 7.4412 7.4412 7.4495 7.4495 8.9597 8.9597 8.9619 8.9619 9.2622 9.2622 10.9690 10.9690 10.9905 10.9905 11.0982 11.0982 11.4739 11.4739 12.0427 12.0427 12.7538 12.7538 k = 0.5000 0.5000 0.2679 ( 6300 PWs) bands (ev): -3.3023 -3.3023 -3.3014 -3.3014 -3.2247 -3.2247 -2.9398 -2.9398 -0.0299 -0.0299 -0.0252 -0.0252 0.0644 0.0644 0.0940 0.0940 0.1583 0.1583 0.1723 0.1723 0.2507 0.2507 0.2666 0.2666 0.2824 0.2824 0.2875 0.2875 0.3389 0.3389 0.3615 0.3615 0.4155 0.4155 0.4445 0.4445 0.5045 0.5045 0.5184 0.5184 0.5447 0.5447 0.5671 0.5671 0.6150 0.6150 0.6246 0.6246 0.6563 0.6563 0.6581 0.6581 0.6661 0.6661 0.6887 0.6887 0.7264 0.7264 0.7508 0.7508 0.8045 0.8045 0.8114 0.8114 0.8328 0.8328 0.8981 0.8981 1.6440 1.6440 1.6649 1.6649 1.9335 1.9335 4.0251 4.0251 5.2689 5.2689 5.3398 5.3398 5.3469 5.3469 6.3819 6.3819 6.3982 6.3982 6.9736 6.9736 7.4484 7.4484 7.4570 7.4570 8.8891 8.8891 8.8911 8.8911 9.1387 9.1387 10.9363 10.9363 10.9600 10.9600 11.1301 11.1301 11.3928 11.3928 11.9643 11.9643 12.7979 12.7979 k = 0.5000 0.5000 0.2857 ( 6300 PWs) bands (ev): -3.2964 -3.2964 -3.2955 -3.2955 -3.2291 -3.2291 -2.9297 -2.9297 -0.0268 -0.0268 -0.0230 -0.0230 0.0794 0.0794 0.1088 0.1088 0.1602 0.1602 0.1730 0.1730 0.2533 0.2533 0.2673 0.2673 0.2839 0.2839 0.2898 0.2898 0.3394 0.3394 0.3632 0.3632 0.4131 0.4131 0.4446 0.4446 0.5078 0.5078 0.5179 0.5179 0.5462 0.5462 0.5648 0.5648 0.6132 0.6132 0.6221 0.6221 0.6552 0.6552 0.6564 0.6564 0.6647 0.6647 0.6894 0.6894 0.7228 0.7228 0.7522 0.7522 0.8046 0.8046 0.8100 0.8100 0.8398 0.8398 0.9045 0.9045 1.5689 1.5689 1.5896 1.5896 1.8579 1.8579 3.9702 3.9702 5.3911 5.3911 5.4647 5.4647 5.4710 5.4710 6.3943 6.3943 6.4121 6.4121 7.0666 7.0666 7.4562 7.4562 7.4651 7.4651 8.8132 8.8132 8.8151 8.8151 9.0143 9.0143 10.9092 10.9092 10.9351 10.9351 11.1621 11.1621 11.3172 11.3172 11.8905 11.8905 12.8463 12.8463 k = 0.5000 0.5000 0.3036 ( 6276 PWs) bands (ev): -3.2907 -3.2907 -3.2897 -3.2897 -3.2331 -3.2331 -2.9200 -2.9200 -0.0242 -0.0242 -0.0213 -0.0213 0.0956 0.0956 0.1247 0.1247 0.1624 0.1624 0.1737 0.1737 0.2560 0.2560 0.2679 0.2679 0.2854 0.2854 0.2922 0.2922 0.3401 0.3401 0.3649 0.3649 0.4108 0.4108 0.4447 0.4447 0.5109 0.5109 0.5165 0.5165 0.5484 0.5484 0.5623 0.5623 0.6115 0.6115 0.6194 0.6194 0.6527 0.6527 0.6564 0.6564 0.6633 0.6633 0.6895 0.6895 0.7193 0.7193 0.7524 0.7524 0.8065 0.8065 0.8089 0.8089 0.8487 0.8487 0.9111 0.9111 1.4972 1.4972 1.5175 1.5175 1.7852 1.7852 3.9179 3.9179 5.5140 5.5140 5.5882 5.5882 5.5937 5.5937 6.4065 6.4065 6.4258 6.4258 7.1554 7.1554 7.4648 7.4648 7.4738 7.4738 8.7325 8.7325 8.7345 8.7345 8.8896 8.8896 10.8870 10.8870 10.9154 10.9154 11.1914 11.1914 11.2497 11.2497 11.8216 11.8216 12.8982 12.8982 k = 0.5000 0.5000 0.3214 ( 6284 PWs) bands (ev): -3.2852 -3.2852 -3.2841 -3.2841 -3.2368 -3.2368 -2.9110 -2.9110 -0.0220 -0.0220 -0.0198 -0.0198 0.1126 0.1126 0.1413 0.1413 0.1650 0.1650 0.1743 0.1743 0.2588 0.2588 0.2684 0.2684 0.2869 0.2869 0.2946 0.2946 0.3410 0.3410 0.3665 0.3665 0.4085 0.4085 0.4447 0.4447 0.5134 0.5134 0.5145 0.5145 0.5508 0.5508 0.5593 0.5593 0.6098 0.6098 0.6165 0.6165 0.6505 0.6505 0.6564 0.6564 0.6618 0.6618 0.6887 0.6887 0.7160 0.7160 0.7509 0.7509 0.8083 0.8083 0.8107 0.8107 0.8593 0.8593 0.9177 0.9177 1.4292 1.4292 1.4489 1.4489 1.7155 1.7155 3.8690 3.8690 5.6367 5.6367 5.7094 5.7094 5.7140 5.7140 6.4183 6.4183 6.4391 6.4391 7.2392 7.2392 7.4744 7.4744 7.4835 7.4835 8.6480 8.6480 8.6499 8.6499 8.7653 8.7653 10.8694 10.8694 10.9002 10.9002 11.1729 11.1729 11.2354 11.2354 11.7578 11.7578 12.9528 12.9528 k = 0.5000 0.5000 0.3393 ( 6284 PWs) bands (ev): -3.2799 -3.2799 -3.2788 -3.2788 -3.2400 -3.2400 -2.9026 -2.9026 -0.0201 -0.0201 -0.0185 -0.0185 0.1302 0.1302 0.1570 0.1570 0.1693 0.1693 0.1749 0.1749 0.2614 0.2614 0.2688 0.2688 0.2884 0.2884 0.2972 0.2972 0.3422 0.3422 0.3681 0.3681 0.4064 0.4064 0.4445 0.4445 0.5120 0.5120 0.5152 0.5152 0.5534 0.5534 0.5563 0.5563 0.6082 0.6082 0.6137 0.6137 0.6486 0.6486 0.6563 0.6563 0.6603 0.6603 0.6865 0.6865 0.7134 0.7134 0.7478 0.7478 0.8082 0.8082 0.8174 0.8174 0.8717 0.8717 0.9242 0.9242 1.3653 1.3653 1.3838 1.3838 1.6489 1.6489 3.8238 3.8238 5.7585 5.7585 5.8275 5.8275 5.8311 5.8311 6.4296 6.4296 6.4518 6.4518 7.3177 7.3177 7.4853 7.4853 7.4943 7.4943 8.5602 8.5602 8.5621 8.5621 8.6421 8.6421 10.8555 10.8555 10.8889 10.8889 11.1160 11.1160 11.2647 11.2647 11.6994 11.6994 12.9148 12.9148 k = 0.5000 0.5000 0.3571 ( 6284 PWs) bands (ev): -3.2750 -3.2750 -3.2738 -3.2738 -3.2429 -3.2429 -2.8949 -2.8949 -0.0186 -0.0186 -0.0175 -0.0175 0.1481 0.1481 0.1655 0.1655 0.1754 0.1754 0.1812 0.1812 0.2639 0.2639 0.2691 0.2691 0.2900 0.2900 0.3002 0.3002 0.3438 0.3438 0.3696 0.3696 0.4043 0.4043 0.4438 0.4438 0.5094 0.5094 0.5157 0.5157 0.5535 0.5535 0.5559 0.5559 0.6066 0.6066 0.6111 0.6111 0.6472 0.6472 0.6562 0.6562 0.6589 0.6589 0.6827 0.6827 0.7116 0.7116 0.7434 0.7434 0.8086 0.8086 0.8264 0.8264 0.8860 0.8860 0.9306 0.9306 1.3058 1.3058 1.3226 1.3226 1.5856 1.5856 3.7827 3.7827 5.8783 5.8783 5.9415 5.9415 5.9441 5.9441 6.4402 6.4402 6.4638 6.4638 7.3900 7.3900 7.4977 7.4977 7.5065 7.5065 8.4703 8.4703 8.4721 8.4721 8.5209 8.5209 10.8448 10.8448 10.8808 10.8808 11.0625 11.0625 11.2955 11.2955 11.6466 11.6466 12.8582 12.8582 k = 0.5000 0.5000 0.3750 ( 6268 PWs) bands (ev): -3.2704 -3.2704 -3.2692 -3.2692 -3.2454 -3.2454 -2.8879 -2.8879 -0.0173 -0.0173 -0.0165 -0.0165 0.1660 0.1660 0.1688 0.1688 0.1760 0.1760 0.1983 0.1983 0.2662 0.2662 0.2693 0.2693 0.2916 0.2916 0.3038 0.3038 0.3460 0.3460 0.3710 0.3710 0.4023 0.4023 0.4425 0.4425 0.5066 0.5066 0.5145 0.5145 0.5514 0.5514 0.5581 0.5581 0.6052 0.6052 0.6086 0.6086 0.6461 0.6461 0.6562 0.6562 0.6576 0.6576 0.6774 0.6774 0.7107 0.7107 0.7381 0.7381 0.8098 0.8098 0.8373 0.8373 0.9021 0.9021 0.9369 0.9369 1.2511 1.2511 1.2655 1.2655 1.5257 1.5257 3.7459 3.7459 5.9951 5.9951 6.0502 6.0502 6.0516 6.0516 6.4500 6.4500 6.4749 6.4749 7.4556 7.4556 7.5123 7.5123 7.5206 7.5206 8.3790 8.3790 8.3807 8.3807 8.4031 8.4031 10.8366 10.8366 10.8752 10.8752 11.0148 11.0148 11.3254 11.3254 11.5996 11.5996 12.8074 12.8074 k = 0.5000 0.5000 0.3929 ( 6268 PWs) bands (ev): -3.2664 -3.2664 -3.2651 -3.2651 -3.2476 -3.2476 -2.8818 -2.8818 -0.0162 -0.0162 -0.0158 -0.0158 0.1711 0.1711 0.1764 0.1764 0.1833 0.1833 0.2155 0.2155 0.2680 0.2680 0.2695 0.2695 0.2931 0.2931 0.3085 0.3085 0.3489 0.3489 0.3722 0.3722 0.4005 0.4005 0.4403 0.4403 0.5038 0.5038 0.5115 0.5115 0.5504 0.5504 0.5599 0.5599 0.6039 0.6039 0.6064 0.6064 0.6454 0.6454 0.6560 0.6560 0.6563 0.6563 0.6710 0.6710 0.7102 0.7102 0.7325 0.7325 0.8114 0.8114 0.8500 0.8500 0.9198 0.9198 0.9430 0.9430 1.2015 1.2015 1.2125 1.2125 1.4695 1.4695 3.7136 3.7136 6.1073 6.1073 6.1518 6.1518 6.1521 6.1521 6.4588 6.4588 6.4849 6.4849 7.5140 7.5140 7.5295 7.5295 7.5372 7.5372 8.2870 8.2870 8.2877 8.2877 8.2922 8.2922 10.8301 10.8301 10.8716 10.8716 10.9734 10.9734 11.3534 11.3534 11.5585 11.5585 12.7627 12.7627 k = 0.5000 0.5000 0.4107 ( 6260 PWs) bands (ev): -3.2628 -3.2628 -3.2615 -3.2615 -3.2494 -3.2494 -2.8765 -2.8765 -0.0154 -0.0154 -0.0151 -0.0151 0.1731 0.1731 0.1768 0.1768 0.1995 0.1995 0.2313 0.2313 0.2691 0.2691 0.2696 0.2696 0.2947 0.2947 0.3150 0.3150 0.3527 0.3527 0.3733 0.3733 0.3986 0.3986 0.4366 0.4366 0.5011 0.5011 0.5073 0.5073 0.5504 0.5504 0.5613 0.5613 0.6028 0.6028 0.6046 0.6046 0.6451 0.6451 0.6548 0.6548 0.6558 0.6558 0.6643 0.6643 0.7101 0.7101 0.7268 0.7268 0.8137 0.8137 0.8643 0.8643 0.9390 0.9390 0.9491 0.9491 1.1574 1.1574 1.1641 1.1641 1.4174 1.4174 3.6860 3.6860 6.2129 6.2129 6.2435 6.2435 6.2445 6.2445 6.4665 6.4665 6.4937 6.4937 7.5501 7.5501 7.5569 7.5569 7.5645 7.5645 8.1824 8.1824 8.1978 8.1978 8.2001 8.2001 10.8248 10.8248 10.8695 10.8695 10.9388 10.9388 11.3787 11.3787 11.5234 11.5234 12.7243 12.7243 k = 0.5000 0.5000 0.4286 ( 6240 PWs) bands (ev): -3.2599 -3.2599 -3.2585 -3.2585 -3.2509 -3.2509 -2.8721 -2.8721 -0.0148 -0.0148 -0.0146 -0.0146 0.1747 0.1747 0.1772 0.1772 0.2141 0.2141 0.2445 0.2445 0.2696 0.2696 0.2696 0.2696 0.2961 0.2961 0.3242 0.3242 0.3574 0.3574 0.3743 0.3743 0.3968 0.3968 0.4310 0.4310 0.4985 0.4985 0.5025 0.5025 0.5511 0.5511 0.5622 0.5622 0.6019 0.6019 0.6031 0.6031 0.6450 0.6450 0.6522 0.6522 0.6556 0.6556 0.6588 0.6588 0.7102 0.7102 0.7216 0.7216 0.8162 0.8162 0.8804 0.8804 0.9552 0.9552 0.9586 0.9586 1.1191 1.1191 1.1205 1.1205 1.3702 1.3702 3.6632 3.6632 6.3091 6.3091 6.3238 6.3238 6.3261 6.3261 6.4730 6.4730 6.5010 6.5010 7.5748 7.5748 7.5806 7.5806 7.6066 7.6066 8.0854 8.0854 8.1108 8.1108 8.1129 8.1129 10.8200 10.8200 10.8684 10.8684 10.9112 10.9112 11.4007 11.4007 11.4946 11.4946 12.6925 12.6925 k = 0.5000 0.5000 0.4464 ( 6244 PWs) bands (ev): -3.2576 -3.2576 -3.2561 -3.2561 -3.2520 -3.2520 -2.8686 -2.8686 -0.0143 -0.0143 -0.0142 -0.0142 0.1760 0.1760 0.1774 0.1774 0.2265 0.2265 0.2544 0.2544 0.2694 0.2694 0.2695 0.2695 0.2974 0.2974 0.3362 0.3362 0.3628 0.3628 0.3750 0.3750 0.3948 0.3948 0.4229 0.4229 0.4961 0.4961 0.4982 0.4982 0.5519 0.5519 0.5626 0.5626 0.6011 0.6011 0.6019 0.6019 0.6452 0.6452 0.6475 0.6475 0.6553 0.6553 0.6562 0.6562 0.7102 0.7102 0.7170 0.7170 0.8188 0.8188 0.8981 0.8981 0.9613 0.9613 0.9769 0.9769 1.0826 1.0826 1.0871 1.0871 1.3288 1.3288 3.6453 3.6453 6.3901 6.3901 6.3923 6.3923 6.3937 6.3937 6.4782 6.4782 6.5069 6.5069 7.6040 7.6040 7.6086 7.6086 7.6398 7.6398 8.0016 8.0016 8.0293 8.0293 8.0310 8.0310 10.8154 10.8154 10.8679 10.8679 10.8909 10.8909 11.4186 11.4186 11.4720 11.4720 12.6676 12.6676 k = 0.5000 0.5000 0.4643 ( 6252 PWs) bands (ev): -3.2560 -3.2560 -3.2544 -3.2544 -3.2527 -3.2527 -2.8662 -2.8662 -0.0140 -0.0140 -0.0140 -0.0140 0.1769 0.1769 0.1776 0.1776 0.2363 0.2363 0.2609 0.2609 0.2684 0.2684 0.2692 0.2692 0.2983 0.2983 0.3505 0.3505 0.3683 0.3683 0.3756 0.3756 0.3927 0.3927 0.4122 0.4122 0.4940 0.4940 0.4949 0.4949 0.5527 0.5527 0.5625 0.5625 0.6006 0.6006 0.6010 0.6010 0.6427 0.6427 0.6454 0.6454 0.6550 0.6550 0.6552 0.6552 0.7103 0.7103 0.7134 0.7134 0.8210 0.8210 0.9175 0.9175 0.9674 0.9674 0.9892 0.9892 1.0534 1.0534 1.0621 1.0621 1.2953 1.2953 3.6325 3.6325 6.4400 6.4400 6.4446 6.4446 6.4574 6.4574 6.4823 6.4823 6.5112 6.5112 7.6367 7.6367 7.6400 7.6400 7.6639 7.6639 7.9357 7.9357 7.9570 7.9570 7.9582 7.9582 10.8111 10.8111 10.8678 10.8678 10.8775 10.8775 11.4319 11.4319 11.4558 11.4558 12.6497 12.6497 k = 0.5000 0.5000 0.4821 ( 6272 PWs) bands (ev): -3.2552 -3.2552 -3.2533 -3.2533 -3.2530 -3.2530 -2.8647 -2.8647 -0.0139 -0.0139 -0.0139 -0.0139 0.1775 0.1775 0.1777 0.1777 0.2429 0.2429 0.2648 0.2648 0.2671 0.2671 0.2687 0.2687 0.2988 0.2988 0.3657 0.3657 0.3729 0.3729 0.3760 0.3760 0.3907 0.3907 0.3996 0.3996 0.4927 0.4927 0.4928 0.4928 0.5532 0.5532 0.5623 0.5623 0.6003 0.6003 0.6004 0.6004 0.6393 0.6393 0.6456 0.6456 0.6547 0.6547 0.6547 0.6547 0.7103 0.7103 0.7111 0.7111 0.8226 0.8226 0.9380 0.9380 0.9725 0.9725 0.9859 0.9859 1.0402 1.0402 1.0452 1.0452 1.2726 1.2726 3.6247 3.6247 6.4704 6.4704 6.4763 6.4763 6.4844 6.4844 6.5005 6.5005 6.5139 6.5139 7.6677 7.6677 7.6698 7.6698 7.6785 7.6785 7.8932 7.8932 7.9012 7.9012 7.9019 7.9019 10.8079 10.8079 10.8678 10.8678 10.8701 10.8701 11.4401 11.4401 11.4461 11.4461 12.6389 12.6389 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -3.2550 -3.2550 -3.2530 -3.2530 -3.2530 -3.2530 -2.8642 -2.8642 -0.0138 -0.0138 -0.0138 -0.0138 0.1777 0.1777 0.1777 0.1777 0.2453 0.2453 0.2664 0.2664 0.2664 0.2664 0.2682 0.2682 0.2990 0.2990 0.3749 0.3749 0.3749 0.3749 0.3777 0.3777 0.3897 0.3897 0.3897 0.3897 0.4922 0.4922 0.4922 0.4922 0.5534 0.5534 0.5622 0.5622 0.6003 0.6003 0.6003 0.6003 0.6382 0.6382 0.6457 0.6457 0.6546 0.6546 0.6546 0.6546 0.7104 0.7104 0.7104 0.7104 0.8231 0.8231 0.9522 0.9522 0.9748 0.9748 0.9748 0.9748 1.0390 1.0390 1.0390 1.0390 1.2645 1.2645 3.6222 3.6222 6.4794 6.4794 6.4870 6.4870 6.4870 6.4870 6.5149 6.5149 6.5149 6.5149 7.6825 7.6825 7.6825 7.6825 7.6849 7.6849 7.8782 7.8782 7.8782 7.8782 7.8787 7.8787 10.8067 10.8067 10.8678 10.8678 10.8678 10.8678 11.4429 11.4429 11.4429 11.4429 12.6353 12.6353 Writing output data file Zn3P2.save init_run : 0.31s CPU 0.48s WALL ( 1 calls) electrons : 365.50s CPU 369.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 365.50s CPU 369.49s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.13s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.12s WALL ( 218 calls) cegterg : 333.76s CPU 336.97s WALL ( 287 calls) Called by sum_band: Called by *egterg: h_psi : 165.58s CPU 167.39s WALL ( 4464 calls) s_psi : 22.16s CPU 22.17s WALL ( 4464 calls) g_psi : 0.45s CPU 0.45s WALL ( 3959 calls) cdiaghg : 124.37s CPU 125.84s WALL ( 4177 calls) cegterg:over : 18.39s CPU 18.41s WALL ( 3959 calls) cegterg:upda : 14.32s CPU 14.38s WALL ( 3959 calls) cegterg:last : 8.22s CPU 8.18s WALL ( 723 calls) cdiaghg:chol : 7.86s CPU 7.85s WALL ( 4177 calls) cdiaghg:inve : 6.00s CPU 6.00s WALL ( 4177 calls) cdiaghg:para : 10.64s CPU 10.79s WALL ( 8354 calls) Called by h_psi: h_psi:vloc : 121.65s CPU 123.17s WALL ( 4464 calls) h_psi:vnl : 43.42s CPU 43.68s WALL ( 4464 calls) add_vuspsi : 24.02s CPU 24.08s WALL ( 4464 calls) General routines calbec : 19.38s CPU 19.59s WALL ( 4464 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 114.51s CPU 115.88s WALL ( 1051864 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.39s WALL ( 436 calls) Parallel routines fft_scatter : 38.90s CPU 38.73s WALL ( 1051887 calls) PWSCF : 6m32.40s CPU 6m51.79s WALL This run was terminated on: 21:11:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=