Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:39:37 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: ./Cu2O.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 27 8 1433 629 104 Max 48 28 9 1435 644 107 Sum 1685 973 293 51627 22887 3791 bravais-lattice index = 14 lattice parameter (alat) = 8.0663 a.u. unit-cell volume = 524.8345 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.066295 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 O 6.00 15.99940 O( 1.00) Cu 11.00 63.54600 Cu( 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= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0034843 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0034843 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0034843 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0034843 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0034843 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0034843 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0034843 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0034843 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0034843 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0034843 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0034843 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0034843 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0034843 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0034843 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0034843 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0034843 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0034843 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0034843 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0034843 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0034843 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0034843 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0034843 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0034843 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0034843 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0034843 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0034843 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0034843 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0034843 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0034843 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0034843 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0034843 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0034843 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0034843 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0034843 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0034843 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0034843 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 40) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0034843 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0034843 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0034843 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0034843 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0034843 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0034843 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0034843 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0034843 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0034843 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0034843 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0034843 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0034843 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0034843 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0034843 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0034843 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0034843 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0034843 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0034843 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0034843 k( 59) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0034843 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0034843 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0034843 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0034843 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0034843 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0034843 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0034843 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0034843 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0034843 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0034843 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0034843 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0034843 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0034843 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0034843 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0034843 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0034843 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0034843 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 78) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0034843 k( 79) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0034843 k( 80) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0034843 k( 81) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0034843 k( 82) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0034843 k( 83) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0034843 k( 84) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0034843 k( 85) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0034843 k( 86) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0034843 k( 87) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0034843 k( 88) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0034843 k( 89) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0034843 k( 90) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0034843 k( 91) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0034843 k( 92) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0034843 k( 93) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0034843 k( 94) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0034843 k( 95) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0034843 k( 96) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0034843 k( 97) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0034843 k( 98) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0034843 k( 99) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0034843 k( 100) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0034843 k( 101) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0034843 k( 102) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0034843 k( 103) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0034843 k( 104) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0034843 k( 105) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0034843 k( 106) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0034843 k( 107) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0034843 k( 108) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0034843 k( 109) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0034843 k( 110) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0034843 k( 111) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0034843 k( 112) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0034843 k( 113) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0034843 k( 114) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0034843 k( 115) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0034843 k( 116) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0034843 k( 117) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0034843 k( 118) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0034843 k( 119) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0034843 k( 120) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0034843 k( 121) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0034843 k( 122) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0034843 k( 123) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0034843 k( 124) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0034843 k( 125) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0034843 k( 126) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0034843 k( 127) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0034843 k( 128) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0034843 k( 129) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0034843 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 132) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0034843 k( 133) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0034843 k( 134) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0034843 k( 135) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0034843 k( 136) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0034843 k( 137) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0034843 k( 138) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0034843 k( 139) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0034843 k( 140) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0034843 k( 141) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0034843 k( 142) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0034843 k( 143) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0034843 k( 144) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0034843 k( 145) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0034843 k( 146) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0034843 k( 147) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0034843 k( 148) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0034843 k( 149) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0034843 k( 150) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0034843 k( 151) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0034843 k( 152) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0034843 k( 153) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0034843 k( 154) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0034843 k( 155) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0034843 k( 156) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0034843 k( 157) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0034843 k( 158) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0034843 k( 159) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0034843 k( 160) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0034843 k( 161) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0034843 k( 162) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0034843 k( 163) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 k( 164) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0034843 k( 165) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0034843 k( 166) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0034843 k( 167) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0034843 k( 168) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0034843 k( 169) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0034843 k( 170) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0034843 k( 171) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0034843 k( 172) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0034843 k( 173) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0034843 k( 174) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0034843 k( 175) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0034843 k( 176) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0034843 k( 177) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0034843 k( 178) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0034843 k( 179) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0034843 k( 180) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0034843 k( 181) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0034843 k( 182) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0034843 k( 183) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0034843 k( 184) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0034843 k( 185) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0034843 k( 186) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0034843 k( 187) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0034843 k( 188) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0034843 k( 189) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0034843 k( 190) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0034843 k( 191) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0034843 k( 192) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0034843 k( 193) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0034843 k( 194) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0034843 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 197) = ( 0.4905660 0.5000000 0.4905660), wk = 0.0034843 k( 198) = ( 0.4811321 0.5000000 0.4811321), wk = 0.0034843 k( 199) = ( 0.4716981 0.5000000 0.4716981), wk = 0.0034843 k( 200) = ( 0.4622641 0.5000000 0.4622641), wk = 0.0034843 k( 201) = ( 0.4528302 0.5000000 0.4528302), wk = 0.0034843 k( 202) = ( 0.4433962 0.5000000 0.4433962), wk = 0.0034843 k( 203) = ( 0.4339623 0.5000000 0.4339623), wk = 0.0034843 k( 204) = ( 0.4245283 0.5000000 0.4245283), wk = 0.0034843 k( 205) = ( 0.4150943 0.5000000 0.4150943), wk = 0.0034843 k( 206) = ( 0.4056604 0.5000000 0.4056604), wk = 0.0034843 k( 207) = ( 0.3962264 0.5000000 0.3962264), wk = 0.0034843 k( 208) = ( 0.3867925 0.5000000 0.3867924), wk = 0.0034843 k( 209) = ( 0.3773585 0.5000000 0.3773585), wk = 0.0034843 k( 210) = ( 0.3679245 0.5000000 0.3679245), wk = 0.0034843 k( 211) = ( 0.3584906 0.5000000 0.3584906), wk = 0.0034843 k( 212) = ( 0.3490566 0.5000000 0.3490566), wk = 0.0034843 k( 213) = ( 0.3396226 0.5000000 0.3396226), wk = 0.0034843 k( 214) = ( 0.3301887 0.5000000 0.3301887), wk = 0.0034843 k( 215) = ( 0.3207547 0.5000000 0.3207547), wk = 0.0034843 k( 216) = ( 0.3113207 0.5000000 0.3113207), wk = 0.0034843 k( 217) = ( 0.3018868 0.5000000 0.3018868), wk = 0.0034843 k( 218) = ( 0.2924528 0.5000000 0.2924528), wk = 0.0034843 k( 219) = ( 0.2830189 0.5000000 0.2830189), wk = 0.0034843 k( 220) = ( 0.2735849 0.5000000 0.2735849), wk = 0.0034843 k( 221) = ( 0.2641509 0.5000000 0.2641509), wk = 0.0034843 k( 222) = ( 0.2547170 0.5000000 0.2547170), wk = 0.0034843 k( 223) = ( 0.2452830 0.5000000 0.2452830), wk = 0.0034843 k( 224) = ( 0.2358491 0.5000000 0.2358491), wk = 0.0034843 k( 225) = ( 0.2264151 0.5000000 0.2264151), wk = 0.0034843 k( 226) = ( 0.2169811 0.5000000 0.2169811), wk = 0.0034843 k( 227) = ( 0.2075472 0.5000000 0.2075472), wk = 0.0034843 k( 228) = ( 0.1981132 0.5000000 0.1981132), wk = 0.0034843 k( 229) = ( 0.1886792 0.5000000 0.1886792), wk = 0.0034843 k( 230) = ( 0.1792453 0.5000000 0.1792453), wk = 0.0034843 k( 231) = ( 0.1698113 0.5000000 0.1698113), wk = 0.0034843 k( 232) = ( 0.1603774 0.5000000 0.1603774), wk = 0.0034843 k( 233) = ( 0.1509434 0.5000000 0.1509434), wk = 0.0034843 k( 234) = ( 0.1415094 0.5000000 0.1415094), wk = 0.0034843 k( 235) = ( 0.1320755 0.5000000 0.1320755), wk = 0.0034843 k( 236) = ( 0.1226415 0.5000000 0.1226415), wk = 0.0034843 k( 237) = ( 0.1132076 0.5000000 0.1132075), wk = 0.0034843 k( 238) = ( 0.1037736 0.5000000 0.1037736), wk = 0.0034843 k( 239) = ( 0.0943396 0.5000000 0.0943396), wk = 0.0034843 k( 240) = ( 0.0849057 0.5000000 0.0849057), wk = 0.0034843 k( 241) = ( 0.0754717 0.5000000 0.0754717), wk = 0.0034843 k( 242) = ( 0.0660377 0.5000000 0.0660377), wk = 0.0034843 k( 243) = ( 0.0566038 0.5000000 0.0566038), wk = 0.0034843 k( 244) = ( 0.0471698 0.5000000 0.0471698), wk = 0.0034843 k( 245) = ( 0.0377359 0.5000000 0.0377358), wk = 0.0034843 k( 246) = ( 0.0283019 0.5000000 0.0283019), wk = 0.0034843 k( 247) = ( 0.0188679 0.5000000 0.0188679), wk = 0.0034843 k( 248) = ( 0.0094340 0.5000000 0.0094340), wk = 0.0034843 k( 249) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 250) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 251) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0034843 k( 252) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0034843 k( 253) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0034843 k( 254) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0034843 k( 255) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0034843 k( 256) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0034843 k( 257) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0034843 k( 258) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0034843 k( 259) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0034843 k( 260) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0034843 k( 261) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0034843 k( 262) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0034843 k( 263) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0034843 k( 264) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0034843 k( 265) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0034843 k( 266) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0034843 k( 267) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0034843 k( 268) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0034843 k( 269) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0034843 k( 270) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0034843 k( 271) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0034843 k( 272) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0034843 k( 273) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0034843 k( 274) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0034843 k( 275) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0034843 k( 276) = ( 0.5000000 0.5000000 0.3513513), wk = 0.0034843 k( 277) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0034843 k( 278) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0034843 k( 279) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0034843 k( 280) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0034843 k( 281) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0034843 k( 282) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0034843 k( 283) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0034843 k( 284) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0034843 k( 285) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0034843 k( 286) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0034843 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0034843 k( 3) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0034843 k( 4) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0034843 k( 5) = ( 0.0000000 0.0540540 0.0000000), wk = 0.0034843 k( 6) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0034843 k( 7) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0034843 k( 8) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0034843 k( 9) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0034843 k( 10) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0034843 k( 11) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0034843 k( 12) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0034843 k( 13) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0034843 k( 14) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0034843 k( 15) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0034843 k( 16) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0034843 k( 17) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0034843 k( 18) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0034843 k( 19) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0034843 k( 20) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0034843 k( 21) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0034843 k( 22) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0034843 k( 23) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0034843 k( 24) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0034843 k( 25) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0034843 k( 26) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0034843 k( 27) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0034843 k( 28) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0034843 k( 29) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0034843 k( 30) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0034843 k( 31) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0034843 k( 32) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0034843 k( 33) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0034843 k( 34) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0034843 k( 35) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0034843 k( 36) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0034843 k( 37) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0034843 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034843 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034843 k( 40) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0034843 k( 41) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0034843 k( 42) = ( 0.0405405 0.5000000 0.0000000), wk = 0.0034843 k( 43) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0034843 k( 44) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0034843 k( 45) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0034843 k( 46) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0034843 k( 47) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0034843 k( 48) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0034843 k( 49) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0034843 k( 50) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0034843 k( 51) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0034843 k( 52) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0034843 k( 53) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0034843 k( 54) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0034843 k( 55) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0034843 k( 56) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0034843 k( 57) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0034843 k( 58) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0034843 k( 59) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0034843 k( 60) = ( 0.2837838 0.5000000 0.0000000), wk = 0.0034843 k( 61) = ( 0.2972973 0.5000000 0.0000000), wk = 0.0034843 k( 62) = ( 0.3108108 0.5000000 0.0000000), wk = 0.0034843 k( 63) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0034843 k( 64) = ( 0.3378378 0.5000000 0.0000000), wk = 0.0034843 k( 65) = ( 0.3513514 0.5000000 0.0000000), wk = 0.0034843 k( 66) = ( 0.3648649 0.5000000 0.0000000), wk = 0.0034843 k( 67) = ( 0.3783784 0.5000000 0.0000000), wk = 0.0034843 k( 68) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0034843 k( 69) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0034843 k( 70) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0034843 k( 71) = ( 0.4324324 0.5000000 0.0000000), wk = 0.0034843 k( 72) = ( 0.4459459 0.5000000 0.0000000), wk = 0.0034843 k( 73) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0034843 k( 74) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0034843 k( 75) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0034843 k( 76) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034843 k( 77) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034843 k( 78) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0034843 k( 79) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0034843 k( 80) = ( 0.4716981 0.4716981 0.0000000), wk = 0.0034843 k( 81) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0034843 k( 82) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0034843 k( 83) = ( 0.4433962 0.4433962 0.0000000), wk = 0.0034843 k( 84) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0034843 k( 85) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0034843 k( 86) = ( 0.4150943 0.4150943 0.0000000), wk = 0.0034843 k( 87) = ( 0.4056604 0.4056604 0.0000000), wk = 0.0034843 k( 88) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0034843 k( 89) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0034843 k( 90) = ( 0.3773585 0.3773585 0.0000000), wk = 0.0034843 k( 91) = ( 0.3679245 0.3679245 0.0000000), wk = 0.0034843 k( 92) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0034843 k( 93) = ( 0.3490566 0.3490566 0.0000000), wk = 0.0034843 k( 94) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0034843 k( 95) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0034843 k( 96) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0034843 k( 97) = ( 0.3113207 0.3113207 0.0000000), wk = 0.0034843 k( 98) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0034843 k( 99) = ( 0.2924528 0.2924528 0.0000000), wk = 0.0034843 k( 100) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0034843 k( 101) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0034843 k( 102) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0034843 k( 103) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0034843 k( 104) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0034843 k( 105) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0034843 k( 106) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0034843 k( 107) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0034843 k( 108) = ( 0.2075472 0.2075472 0.0000000), wk = 0.0034843 k( 109) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0034843 k( 110) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0034843 k( 111) = ( 0.1792453 0.1792453 0.0000000), wk = 0.0034843 k( 112) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0034843 k( 113) = ( 0.1603774 0.1603774 0.0000000), wk = 0.0034843 k( 114) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0034843 k( 115) = ( 0.1415094 0.1415094 0.0000000), wk = 0.0034843 k( 116) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0034843 k( 117) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0034843 k( 118) = ( 0.1132076 0.1132076 0.0000000), wk = 0.0034843 k( 119) = ( 0.1037736 0.1037736 0.0000000), wk = 0.0034843 k( 120) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0034843 k( 121) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0034843 k( 122) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0034843 k( 123) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0034843 k( 124) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0034843 k( 125) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0034843 k( 126) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0034843 k( 127) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0034843 k( 128) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0034843 k( 129) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0034843 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 132) = ( 0.0078125 0.0078125 0.0078125), wk = 0.0034843 k( 133) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0034843 k( 134) = ( 0.0234375 0.0234375 0.0234375), wk = 0.0034843 k( 135) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0034843 k( 136) = ( 0.0390625 0.0390625 0.0390625), wk = 0.0034843 k( 137) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0034843 k( 138) = ( 0.0546875 0.0546875 0.0546875), wk = 0.0034843 k( 139) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0034843 k( 140) = ( 0.0703125 0.0703125 0.0703125), wk = 0.0034843 k( 141) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0034843 k( 142) = ( 0.0859375 0.0859375 0.0859375), wk = 0.0034843 k( 143) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0034843 k( 144) = ( 0.1015625 0.1015625 0.1015625), wk = 0.0034843 k( 145) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0034843 k( 146) = ( 0.1171875 0.1171875 0.1171875), wk = 0.0034843 k( 147) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0034843 k( 148) = ( 0.1328125 0.1328125 0.1328125), wk = 0.0034843 k( 149) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0034843 k( 150) = ( 0.1484375 0.1484375 0.1484375), wk = 0.0034843 k( 151) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0034843 k( 152) = ( 0.1640625 0.1640625 0.1640625), wk = 0.0034843 k( 153) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0034843 k( 154) = ( 0.1796875 0.1796875 0.1796875), wk = 0.0034843 k( 155) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0034843 k( 156) = ( 0.1953125 0.1953125 0.1953125), wk = 0.0034843 k( 157) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0034843 k( 158) = ( 0.2109375 0.2109375 0.2109375), wk = 0.0034843 k( 159) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0034843 k( 160) = ( 0.2265625 0.2265625 0.2265625), wk = 0.0034843 k( 161) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0034843 k( 162) = ( 0.2421875 0.2421875 0.2421875), wk = 0.0034843 k( 163) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 k( 164) = ( 0.2578125 0.2578125 0.2578125), wk = 0.0034843 k( 165) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0034843 k( 166) = ( 0.2734375 0.2734375 0.2734375), wk = 0.0034843 k( 167) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0034843 k( 168) = ( 0.2890625 0.2890625 0.2890625), wk = 0.0034843 k( 169) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0034843 k( 170) = ( 0.3046875 0.3046875 0.3046875), wk = 0.0034843 k( 171) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0034843 k( 172) = ( 0.3203125 0.3203125 0.3203125), wk = 0.0034843 k( 173) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0034843 k( 174) = ( 0.3359375 0.3359375 0.3359375), wk = 0.0034843 k( 175) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0034843 k( 176) = ( 0.3515625 0.3515625 0.3515625), wk = 0.0034843 k( 177) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0034843 k( 178) = ( 0.3671875 0.3671875 0.3671875), wk = 0.0034843 k( 179) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0034843 k( 180) = ( 0.3828125 0.3828125 0.3828125), wk = 0.0034843 k( 181) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0034843 k( 182) = ( 0.3984375 0.3984375 0.3984375), wk = 0.0034843 k( 183) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0034843 k( 184) = ( 0.4140625 0.4140625 0.4140625), wk = 0.0034843 k( 185) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0034843 k( 186) = ( 0.4296875 0.4296875 0.4296875), wk = 0.0034843 k( 187) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0034843 k( 188) = ( 0.4453125 0.4453125 0.4453125), wk = 0.0034843 k( 189) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0034843 k( 190) = ( 0.4609375 0.4609375 0.4609375), wk = 0.0034843 k( 191) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0034843 k( 192) = ( 0.4765625 0.4765625 0.4765625), wk = 0.0034843 k( 193) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0034843 k( 194) = ( 0.4921875 0.4921875 0.4921875), wk = 0.0034843 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 197) = ( 0.4905660 0.5000000 0.4905660), wk = 0.0034843 k( 198) = ( 0.4811321 0.5000000 0.4811321), wk = 0.0034843 k( 199) = ( 0.4716981 0.5000000 0.4716981), wk = 0.0034843 k( 200) = ( 0.4622641 0.5000000 0.4622641), wk = 0.0034843 k( 201) = ( 0.4528302 0.5000000 0.4528302), wk = 0.0034843 k( 202) = ( 0.4433962 0.5000000 0.4433962), wk = 0.0034843 k( 203) = ( 0.4339623 0.5000000 0.4339623), wk = 0.0034843 k( 204) = ( 0.4245283 0.5000000 0.4245283), wk = 0.0034843 k( 205) = ( 0.4150943 0.5000000 0.4150943), wk = 0.0034843 k( 206) = ( 0.4056604 0.5000000 0.4056604), wk = 0.0034843 k( 207) = ( 0.3962264 0.5000000 0.3962264), wk = 0.0034843 k( 208) = ( 0.3867925 0.5000000 0.3867925), wk = 0.0034843 k( 209) = ( 0.3773585 0.5000000 0.3773585), wk = 0.0034843 k( 210) = ( 0.3679245 0.5000000 0.3679245), wk = 0.0034843 k( 211) = ( 0.3584906 0.5000000 0.3584906), wk = 0.0034843 k( 212) = ( 0.3490566 0.5000000 0.3490566), wk = 0.0034843 k( 213) = ( 0.3396226 0.5000000 0.3396226), wk = 0.0034843 k( 214) = ( 0.3301887 0.5000000 0.3301887), wk = 0.0034843 k( 215) = ( 0.3207547 0.5000000 0.3207547), wk = 0.0034843 k( 216) = ( 0.3113207 0.5000000 0.3113207), wk = 0.0034843 k( 217) = ( 0.3018868 0.5000000 0.3018868), wk = 0.0034843 k( 218) = ( 0.2924528 0.5000000 0.2924528), wk = 0.0034843 k( 219) = ( 0.2830189 0.5000000 0.2830189), wk = 0.0034843 k( 220) = ( 0.2735849 0.5000000 0.2735849), wk = 0.0034843 k( 221) = ( 0.2641509 0.5000000 0.2641509), wk = 0.0034843 k( 222) = ( 0.2547170 0.5000000 0.2547170), wk = 0.0034843 k( 223) = ( 0.2452830 0.5000000 0.2452830), wk = 0.0034843 k( 224) = ( 0.2358491 0.5000000 0.2358491), wk = 0.0034843 k( 225) = ( 0.2264151 0.5000000 0.2264151), wk = 0.0034843 k( 226) = ( 0.2169811 0.5000000 0.2169811), wk = 0.0034843 k( 227) = ( 0.2075472 0.5000000 0.2075472), wk = 0.0034843 k( 228) = ( 0.1981132 0.5000000 0.1981132), wk = 0.0034843 k( 229) = ( 0.1886792 0.5000000 0.1886792), wk = 0.0034843 k( 230) = ( 0.1792453 0.5000000 0.1792453), wk = 0.0034843 k( 231) = ( 0.1698113 0.5000000 0.1698113), wk = 0.0034843 k( 232) = ( 0.1603774 0.5000000 0.1603774), wk = 0.0034843 k( 233) = ( 0.1509434 0.5000000 0.1509434), wk = 0.0034843 k( 234) = ( 0.1415094 0.5000000 0.1415094), wk = 0.0034843 k( 235) = ( 0.1320755 0.5000000 0.1320755), wk = 0.0034843 k( 236) = ( 0.1226415 0.5000000 0.1226415), wk = 0.0034843 k( 237) = ( 0.1132076 0.5000000 0.1132076), wk = 0.0034843 k( 238) = ( 0.1037736 0.5000000 0.1037736), wk = 0.0034843 k( 239) = ( 0.0943396 0.5000000 0.0943396), wk = 0.0034843 k( 240) = ( 0.0849057 0.5000000 0.0849057), wk = 0.0034843 k( 241) = ( 0.0754717 0.5000000 0.0754717), wk = 0.0034843 k( 242) = ( 0.0660377 0.5000000 0.0660377), wk = 0.0034843 k( 243) = ( 0.0566038 0.5000000 0.0566038), wk = 0.0034843 k( 244) = ( 0.0471698 0.5000000 0.0471698), wk = 0.0034843 k( 245) = ( 0.0377359 0.5000000 0.0377359), wk = 0.0034843 k( 246) = ( 0.0283019 0.5000000 0.0283019), wk = 0.0034843 k( 247) = ( 0.0188679 0.5000000 0.0188679), wk = 0.0034843 k( 248) = ( 0.0094340 0.5000000 0.0094340), wk = 0.0034843 k( 249) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034843 k( 250) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034843 k( 251) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0034843 k( 252) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0034843 k( 253) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0034843 k( 254) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0034843 k( 255) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0034843 k( 256) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0034843 k( 257) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0034843 k( 258) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0034843 k( 259) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0034843 k( 260) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0034843 k( 261) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0034843 k( 262) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0034843 k( 263) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0034843 k( 264) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0034843 k( 265) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0034843 k( 266) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0034843 k( 267) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0034843 k( 268) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0034843 k( 269) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0034843 k( 270) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0034843 k( 271) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0034843 k( 272) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0034843 k( 273) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0034843 k( 274) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0034843 k( 275) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0034843 k( 276) = ( 0.5000000 0.5000000 0.3513514), wk = 0.0034843 k( 277) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0034843 k( 278) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0034843 k( 279) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0034843 k( 280) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0034843 k( 281) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0034843 k( 282) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0034843 k( 283) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0034843 k( 284) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0034843 k( 285) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0034843 k( 286) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0034843 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 Dense grid: 51627 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 22887 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 184, 68) NL pseudopotentials 0.23 Mb ( 92, 164) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1434) G-vector shells 0.00 Mb ( 317) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 184, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.34 Mb ( 164, 2, 68) The potential is recalculated from file : ./Cu2O.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.4 secs Computing kpt #: 11 total cpu time spent up to now is 5.8 secs Computing kpt #: 12 total cpu time spent up to now is 6.2 secs Computing kpt #: 13 total cpu time spent up to now is 6.6 secs Computing kpt #: 14 total cpu time spent up to now is 7.0 secs Computing kpt #: 15 total cpu time spent up to now is 7.8 secs Computing kpt #: 16 total cpu time spent up to now is 8.2 secs Computing kpt #: 17 total cpu time spent up to now is 8.7 secs Computing kpt #: 18 total cpu time spent up to now is 9.2 secs Computing kpt #: 19 total cpu time spent up to now is 9.7 secs Computing kpt #: 20 total cpu time spent up to now is 10.1 secs Computing kpt #: 21 total cpu time spent up to now is 10.6 secs Computing kpt #: 22 total cpu time spent up to now is 11.5 secs Computing kpt #: 23 total cpu time spent up to now is 12.0 secs Computing kpt #: 24 total cpu time spent up to now is 12.5 secs Computing kpt #: 25 total cpu time spent up to now is 13.0 secs Computing kpt #: 26 total cpu time spent up to now is 13.4 secs Computing kpt #: 27 total cpu time spent up to now is 13.9 secs Computing kpt #: 28 total cpu time spent up to now is 14.3 secs Computing kpt #: 29 total cpu time spent up to now is 14.8 secs Computing kpt #: 30 total cpu time spent up to now is 15.1 secs Computing kpt #: 31 total cpu time spent up to now is 15.7 secs Computing kpt #: 32 total cpu time spent up to now is 16.0 secs Computing kpt #: 33 total cpu time spent up to now is 16.5 secs Computing kpt #: 34 total cpu time spent up to now is 16.9 secs Computing kpt #: 35 total cpu time spent up to now is 17.4 secs Computing kpt #: 36 total cpu time spent up to now is 17.9 secs Computing kpt #: 37 total cpu time spent up to now is 18.4 secs Computing kpt #: 38 total cpu time spent up to now is 18.8 secs Computing kpt #: 39 total cpu time spent up to now is 19.2 secs Computing kpt #: 40 total cpu time spent up to now is 19.6 secs Computing kpt #: 41 total cpu time spent up to now is 20.1 secs Computing kpt #: 42 total cpu time spent up to now is 20.5 secs Computing kpt #: 43 total cpu time spent up to now is 21.0 secs Computing kpt #: 44 total cpu time spent up to now is 21.4 secs Computing kpt #: 45 total cpu time spent up to now is 21.9 secs Computing kpt #: 46 total cpu time spent up to now is 22.4 secs Computing kpt #: 47 total cpu time spent up to now is 22.9 secs Computing kpt #: 48 total cpu time spent up to now is 23.4 secs Computing kpt #: 49 total cpu time spent up to now is 24.0 secs Computing kpt #: 50 total cpu time spent up to now is 24.7 secs Computing kpt #: 51 total cpu time spent up to now is 25.1 secs Computing kpt #: 52 total cpu time spent up to now is 25.6 secs Computing kpt #: 53 total cpu time spent up to now is 26.3 secs Computing kpt #: 54 total cpu time spent up to now is 26.8 secs Computing kpt #: 55 total cpu time spent up to now is 27.3 secs Computing kpt #: 56 total cpu time spent up to now is 27.7 secs Computing kpt #: 57 total cpu time spent up to now is 28.2 secs Computing kpt #: 58 total cpu time spent up to now is 28.7 secs Computing kpt #: 59 total cpu time spent up to now is 29.2 secs Computing kpt #: 60 total cpu time spent up to now is 29.5 secs Computing kpt #: 61 total cpu time spent up to now is 29.9 secs Computing kpt #: 62 total cpu time spent up to now is 30.3 secs Computing kpt #: 63 total cpu time spent up to now is 30.6 secs Computing kpt #: 64 total cpu time spent up to now is 31.0 secs Computing kpt #: 65 total cpu time spent up to now is 31.4 secs Computing kpt #: 66 total cpu time spent up to now is 31.7 secs Computing kpt #: 67 total cpu time spent up to now is 32.1 secs Computing kpt #: 68 total cpu time spent up to now is 32.4 secs Computing kpt #: 69 total cpu time spent up to now is 32.8 secs Computing kpt #: 70 total cpu time spent up to now is 33.2 secs Computing kpt #: 71 total cpu time spent up to now is 33.5 secs Computing kpt #: 72 total cpu time spent up to now is 33.9 secs Computing kpt #: 73 total cpu time spent up to now is 34.2 secs Computing kpt #: 74 total cpu time spent up to now is 34.5 secs Computing kpt #: 75 total cpu time spent up to now is 34.9 secs Computing kpt #: 76 total cpu time spent up to now is 35.2 secs Computing kpt #: 77 total cpu time spent up to now is 35.6 secs Computing kpt #: 78 total cpu time spent up to now is 36.0 secs Computing kpt #: 79 total cpu time spent up to now is 36.3 secs Computing kpt #: 80 total cpu time spent up to now is 36.6 secs Computing kpt #: 81 total cpu time spent up to now is 37.0 secs Computing kpt #: 82 total cpu time spent up to now is 37.4 secs Computing kpt #: 83 total cpu time spent up to now is 37.7 secs Computing kpt #: 84 total cpu time spent up to now is 38.1 secs Computing kpt #: 85 total cpu time spent up to now is 38.5 secs Computing kpt #: 86 total cpu time spent up to now is 38.8 secs Computing kpt #: 87 total cpu time spent up to now is 39.2 secs Computing kpt #: 88 total cpu time spent up to now is 39.5 secs Computing kpt #: 89 total cpu time spent up to now is 39.9 secs Computing kpt #: 90 total cpu time spent up to now is 40.4 secs Computing kpt #: 91 total cpu time spent up to now is 41.1 secs Computing kpt #: 92 total cpu time spent up to now is 41.7 secs Computing kpt #: 93 total cpu time spent up to now is 42.4 secs Computing kpt #: 94 total cpu time spent up to now is 43.1 secs Computing kpt #: 95 total cpu time spent up to now is 43.8 secs Computing kpt #: 96 total cpu time spent up to now is 44.6 secs Computing kpt #: 97 total cpu time spent up to now is 45.2 secs Computing kpt #: 98 total cpu time spent up to now is 45.9 secs Computing kpt #: 99 total cpu time spent up to now is 46.5 secs Computing kpt #: 100 total cpu time spent up to now is 47.1 secs Computing kpt #: 101 total cpu time spent up to now is 47.7 secs Computing kpt #: 102 total cpu time spent up to now is 48.3 secs Computing kpt #: 103 total cpu time spent up to now is 49.0 secs Computing kpt #: 104 total cpu time spent up to now is 49.7 secs Computing kpt #: 105 total cpu time spent up to now is 50.3 secs Computing kpt #: 106 total cpu time spent up to now is 51.0 secs Computing kpt #: 107 total cpu time spent up to now is 51.7 secs Computing kpt #: 108 total cpu time spent up to now is 52.4 secs Computing kpt #: 109 total cpu time spent up to now is 53.0 secs Computing kpt #: 110 total cpu time spent up to now is 53.7 secs Computing kpt #: 111 total cpu time spent up to now is 54.3 secs Computing kpt #: 112 total cpu time spent up to now is 55.0 secs Computing kpt #: 113 total cpu time spent up to now is 55.7 secs Computing kpt #: 114 total cpu time spent up to now is 56.3 secs Computing kpt #: 115 total cpu time spent up to now is 56.8 secs Computing kpt #: 116 total cpu time spent up to now is 57.2 secs Computing kpt #: 117 total cpu time spent up to now is 57.7 secs Computing kpt #: 118 total cpu time spent up to now is 58.2 secs Computing kpt #: 119 total cpu time spent up to now is 58.8 secs Computing kpt #: 120 total cpu time spent up to now is 59.2 secs Computing kpt #: 121 total cpu time spent up to now is 59.5 secs Computing kpt #: 122 total cpu time spent up to now is 59.9 secs Computing kpt #: 123 total cpu time spent up to now is 60.3 secs Computing kpt #: 124 total cpu time spent up to now is 60.7 secs Computing kpt #: 125 total cpu time spent up to now is 61.1 secs Computing kpt #: 126 total cpu time spent up to now is 61.5 secs Computing kpt #: 127 total cpu time spent up to now is 61.9 secs Computing kpt #: 128 total cpu time spent up to now is 62.2 secs Computing kpt #: 129 total cpu time spent up to now is 62.6 secs Computing kpt #: 130 total cpu time spent up to now is 62.9 secs Computing kpt #: 131 total cpu time spent up to now is 63.2 secs Computing kpt #: 132 total cpu time spent up to now is 63.6 secs Computing kpt #: 133 total cpu time spent up to now is 64.0 secs Computing kpt #: 134 total cpu time spent up to now is 64.3 secs Computing kpt #: 135 total cpu time spent up to now is 64.7 secs Computing kpt #: 136 total cpu time spent up to now is 65.1 secs Computing kpt #: 137 total cpu time spent up to now is 65.5 secs Computing kpt #: 138 total cpu time spent up to now is 65.9 secs Computing kpt #: 139 total cpu time spent up to now is 66.2 secs Computing kpt #: 140 total cpu time spent up to now is 66.6 secs Computing kpt #: 141 total cpu time spent up to now is 67.0 secs Computing kpt #: 142 total cpu time spent up to now is 67.4 secs Computing kpt #: 143 total cpu time spent up to now is 67.8 secs Computing kpt #: 144 total cpu time spent up to now is 68.2 secs Computing kpt #: 145 total cpu time spent up to now is 68.7 secs Computing kpt #: 146 total cpu time spent up to now is 69.2 secs Computing kpt #: 147 total cpu time spent up to now is 69.6 secs Computing kpt #: 148 total cpu time spent up to now is 70.1 secs Computing kpt #: 149 total cpu time spent up to now is 70.4 secs Computing kpt #: 150 total cpu time spent up to now is 70.9 secs Computing kpt #: 151 total cpu time spent up to now is 71.3 secs Computing kpt #: 152 total cpu time spent up to now is 71.7 secs Computing kpt #: 153 total cpu time spent up to now is 72.0 secs Computing kpt #: 154 total cpu time spent up to now is 72.4 secs Computing kpt #: 155 total cpu time spent up to now is 72.8 secs Computing kpt #: 156 total cpu time spent up to now is 73.1 secs Computing kpt #: 157 total cpu time spent up to now is 73.5 secs Computing kpt #: 158 total cpu time spent up to now is 73.8 secs Computing kpt #: 159 total cpu time spent up to now is 74.2 secs Computing kpt #: 160 total cpu time spent up to now is 74.5 secs Computing kpt #: 161 total cpu time spent up to now is 74.9 secs Computing kpt #: 162 total cpu time spent up to now is 75.2 secs Computing kpt #: 163 total cpu time spent up to now is 75.5 secs Computing kpt #: 164 total cpu time spent up to now is 75.9 secs Computing kpt #: 165 total cpu time spent up to now is 76.2 secs Computing kpt #: 166 total cpu time spent up to now is 76.5 secs Computing kpt #: 167 total cpu time spent up to now is 76.9 secs Computing kpt #: 168 total cpu time spent up to now is 77.2 secs Computing kpt #: 169 total cpu time spent up to now is 77.5 secs Computing kpt #: 170 total cpu time spent up to now is 77.9 secs Computing kpt #: 171 total cpu time spent up to now is 78.2 secs Computing kpt #: 172 total cpu time spent up to now is 78.6 secs Computing kpt #: 173 total cpu time spent up to now is 78.9 secs Computing kpt #: 174 total cpu time spent up to now is 79.3 secs Computing kpt #: 175 total cpu time spent up to now is 79.6 secs Computing kpt #: 176 total cpu time spent up to now is 80.0 secs Computing kpt #: 177 total cpu time spent up to now is 80.3 secs Computing kpt #: 178 total cpu time spent up to now is 80.7 secs Computing kpt #: 179 total cpu time spent up to now is 81.0 secs Computing kpt #: 180 total cpu time spent up to now is 81.4 secs Computing kpt #: 181 total cpu time spent up to now is 81.7 secs Computing kpt #: 182 total cpu time spent up to now is 82.1 secs Computing kpt #: 183 total cpu time spent up to now is 82.4 secs Computing kpt #: 184 total cpu time spent up to now is 82.7 secs Computing kpt #: 185 total cpu time spent up to now is 83.1 secs Computing kpt #: 186 total cpu time spent up to now is 83.5 secs Computing kpt #: 187 total cpu time spent up to now is 83.9 secs Computing kpt #: 188 total cpu time spent up to now is 84.2 secs Computing kpt #: 189 total cpu time spent up to now is 84.6 secs Computing kpt #: 190 total cpu time spent up to now is 85.0 secs Computing kpt #: 191 total cpu time spent up to now is 85.3 secs Computing kpt #: 192 total cpu time spent up to now is 85.7 secs Computing kpt #: 193 total cpu time spent up to now is 86.0 secs Computing kpt #: 194 total cpu time spent up to now is 86.4 secs Computing kpt #: 195 total cpu time spent up to now is 86.7 secs Computing kpt #: 196 total cpu time spent up to now is 87.0 secs Computing kpt #: 197 total cpu time spent up to now is 87.4 secs Computing kpt #: 198 total cpu time spent up to now is 87.7 secs Computing kpt #: 199 total cpu time spent up to now is 88.1 secs Computing kpt #: 200 total cpu time spent up to now is 88.4 secs Computing kpt #: 201 total cpu time spent up to now is 88.8 secs Computing kpt #: 202 total cpu time spent up to now is 89.2 secs Computing kpt #: 203 total cpu time spent up to now is 89.5 secs Computing kpt #: 204 total cpu time spent up to now is 89.9 secs Computing kpt #: 205 total cpu time spent up to now is 90.3 secs Computing kpt #: 206 total cpu time spent up to now is 90.6 secs Computing kpt #: 207 total cpu time spent up to now is 91.0 secs Computing kpt #: 208 total cpu time spent up to now is 91.4 secs Computing kpt #: 209 total cpu time spent up to now is 91.7 secs Computing kpt #: 210 total cpu time spent up to now is 92.1 secs Computing kpt #: 211 total cpu time spent up to now is 92.4 secs Computing kpt #: 212 total cpu time spent up to now is 92.7 secs Computing kpt #: 213 total cpu time spent up to now is 93.1 secs Computing kpt #: 214 total cpu time spent up to now is 93.4 secs Computing kpt #: 215 total cpu time spent up to now is 93.8 secs Computing kpt #: 216 total cpu time spent up to now is 94.2 secs Computing kpt #: 217 total cpu time spent up to now is 94.5 secs Computing kpt #: 218 total cpu time spent up to now is 94.9 secs Computing kpt #: 219 total cpu time spent up to now is 95.3 secs Computing kpt #: 220 total cpu time spent up to now is 95.6 secs Computing kpt #: 221 total cpu time spent up to now is 96.0 secs Computing kpt #: 222 total cpu time spent up to now is 96.3 secs Computing kpt #: 223 total cpu time spent up to now is 96.7 secs Computing kpt #: 224 total cpu time spent up to now is 97.0 secs Computing kpt #: 225 total cpu time spent up to now is 97.3 secs Computing kpt #: 226 total cpu time spent up to now is 97.7 secs Computing kpt #: 227 total cpu time spent up to now is 98.1 secs Computing kpt #: 228 total cpu time spent up to now is 98.6 secs Computing kpt #: 229 total cpu time spent up to now is 99.0 secs Computing kpt #: 230 total cpu time spent up to now is 99.5 secs Computing kpt #: 231 total cpu time spent up to now is 99.9 secs Computing kpt #: 232 total cpu time spent up to now is 100.2 secs Computing kpt #: 233 total cpu time spent up to now is 100.5 secs Computing kpt #: 234 total cpu time spent up to now is 100.9 secs Computing kpt #: 235 total cpu time spent up to now is 101.2 secs Computing kpt #: 236 total cpu time spent up to now is 101.6 secs Computing kpt #: 237 total cpu time spent up to now is 101.9 secs Computing kpt #: 238 total cpu time spent up to now is 102.3 secs Computing kpt #: 239 total cpu time spent up to now is 102.8 secs Computing kpt #: 240 total cpu time spent up to now is 103.3 secs Computing kpt #: 241 total cpu time spent up to now is 103.8 secs Computing kpt #: 242 total cpu time spent up to now is 104.4 secs Computing kpt #: 243 total cpu time spent up to now is 105.1 secs Computing kpt #: 244 total cpu time spent up to now is 105.9 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.4 secs Computing kpt #: 246 total cpu time spent up to now is 107.9 secs Computing kpt #: 247 total cpu time spent up to now is 108.4 secs Computing kpt #: 248 total cpu time spent up to now is 108.9 secs Computing kpt #: 249 total cpu time spent up to now is 109.2 secs Computing kpt #: 250 total cpu time spent up to now is 109.6 secs Computing kpt #: 251 total cpu time spent up to now is 110.0 secs Computing kpt #: 252 total cpu time spent up to now is 110.3 secs Computing kpt #: 253 total cpu time spent up to now is 110.6 secs Computing kpt #: 254 total cpu time spent up to now is 111.0 secs Computing kpt #: 255 total cpu time spent up to now is 111.3 secs Computing kpt #: 256 total cpu time spent up to now is 111.7 secs Computing kpt #: 257 total cpu time spent up to now is 112.0 secs Computing kpt #: 258 total cpu time spent up to now is 112.4 secs Computing kpt #: 259 total cpu time spent up to now is 112.7 secs Computing kpt #: 260 total cpu time spent up to now is 113.1 secs Computing kpt #: 261 total cpu time spent up to now is 113.4 secs Computing kpt #: 262 total cpu time spent up to now is 113.8 secs Computing kpt #: 263 total cpu time spent up to now is 114.1 secs Computing kpt #: 264 total cpu time spent up to now is 114.5 secs Computing kpt #: 265 total cpu time spent up to now is 114.8 secs Computing kpt #: 266 total cpu time spent up to now is 115.2 secs Computing kpt #: 267 total cpu time spent up to now is 115.5 secs Computing kpt #: 268 total cpu time spent up to now is 115.9 secs Computing kpt #: 269 total cpu time spent up to now is 116.2 secs Computing kpt #: 270 total cpu time spent up to now is 116.5 secs Computing kpt #: 271 total cpu time spent up to now is 116.9 secs Computing kpt #: 272 total cpu time spent up to now is 117.2 secs Computing kpt #: 273 total cpu time spent up to now is 117.6 secs Computing kpt #: 274 total cpu time spent up to now is 117.9 secs Computing kpt #: 275 total cpu time spent up to now is 118.3 secs Computing kpt #: 276 total cpu time spent up to now is 118.6 secs Computing kpt #: 277 total cpu time spent up to now is 119.0 secs Computing kpt #: 278 total cpu time spent up to now is 119.3 secs Computing kpt #: 279 total cpu time spent up to now is 119.7 secs Computing kpt #: 280 total cpu time spent up to now is 120.1 secs Computing kpt #: 281 total cpu time spent up to now is 120.4 secs Computing kpt #: 282 total cpu time spent up to now is 120.8 secs Computing kpt #: 283 total cpu time spent up to now is 121.2 secs Computing kpt #: 284 total cpu time spent up to now is 121.5 secs Computing kpt #: 285 total cpu time spent up to now is 121.9 secs Computing kpt #: 286 total cpu time spent up to now is 122.2 secs Computing kpt #: 287 total cpu time spent up to now is 122.5 secs ethr = 1.79E-08, avg # of iterations = 16.8 total cpu time spent up to now is 122.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2897 PWs) bands (ev): -11.7542 -11.7542 -11.0286 -11.0286 1.1587 1.1587 1.1587 1.1587 1.1732 1.1732 3.5471 3.5471 3.5837 3.5837 3.5929 3.5929 3.5929 3.5929 5.3917 5.3917 5.3917 5.3917 5.4915 5.4915 5.5499 5.5499 5.5499 5.5499 6.3674 6.3674 6.3674 6.3674 6.5199 6.5199 6.5610 6.5610 6.5610 6.5610 6.5899 6.5899 6.7032 6.7032 6.7032 6.7032 6.8195 6.8195 6.8195 6.8195 6.9849 6.9849 8.3723 8.3723 8.3723 8.3723 8.5013 8.5013 8.9497 8.9497 9.6407 9.6407 9.6407 9.6407 16.2760 16.2760 16.2930 16.2930 16.2930 16.2930 k = 0.0000 0.0135-0.0000 ( 2897 PWs) bands (ev): -11.7539 -11.7539 -11.0289 -11.0289 1.1592 1.1592 1.1594 1.1594 1.1738 1.1738 3.5223 3.5223 3.5846 3.5846 3.5910 3.5910 3.6139 3.6139 5.3920 5.3920 5.3930 5.3930 5.4927 5.4927 5.5503 5.5503 5.5513 5.5513 6.3675 6.3675 6.3675 6.3675 6.5200 6.5200 6.5611 6.5611 6.5612 6.5612 6.5899 6.5899 6.7031 6.7031 6.7033 6.7033 6.8185 6.8185 6.8193 6.8193 6.9843 6.9843 8.3650 8.3650 8.3718 8.3718 8.4973 8.4973 8.9513 8.9513 9.6438 9.6438 9.6521 9.6521 16.2735 16.2735 16.2894 16.2894 16.2920 16.2920 k = 0.0000 0.0270-0.0000 ( 2897 PWs) bands (ev): -11.7529 -11.7529 -11.0299 -11.0299 1.1608 1.1608 1.1614 1.1614 1.1756 1.1756 3.4829 3.4829 3.5791 3.5791 3.5850 3.5850 3.6497 3.6497 5.3930 5.3930 5.3967 5.3967 5.4960 5.4960 5.5518 5.5518 5.5554 5.5554 6.3677 6.3677 6.3680 6.3680 6.5202 6.5202 6.5614 6.5614 6.5616 6.5616 6.5900 6.5900 6.7031 6.7031 6.7036 6.7036 6.8156 6.8156 6.8189 6.8189 6.9826 6.9826 8.3421 8.3421 8.3705 8.3705 8.4878 8.4878 8.9560 8.9560 9.6531 9.6531 9.6850 9.6850 16.2626 16.2626 16.2821 16.2821 16.2892 16.2892 k = 0.0000 0.0405-0.0000 ( 2889 PWs) bands (ev): -11.7513 -11.7513 -11.0315 -11.0315 1.1634 1.1634 1.1649 1.1649 1.1787 1.1787 3.4408 3.4408 3.5697 3.5697 3.5752 3.5752 3.6862 3.6862 5.3946 5.3946 5.4029 5.4029 5.5013 5.5013 5.5546 5.5546 5.5622 5.5622 6.3681 6.3681 6.3687 6.3687 6.5204 6.5204 6.5617 6.5617 6.5626 6.5626 6.5901 6.5901 6.7032 6.7032 6.7044 6.7044 6.8109 6.8109 6.8181 6.8181 6.9800 6.9800 8.3024 8.3024 8.3683 8.3683 8.4770 8.4770 8.9640 8.9640 9.6684 9.6684 9.7364 9.7364 16.2401 16.2401 16.2753 16.2753 16.2845 16.2845 k = 0.0000 0.0541-0.0000 ( 2881 PWs) bands (ev): -11.7489 -11.7489 -11.0337 -11.0337 1.1669 1.1669 1.1697 1.1697 1.1831 1.1831 3.3971 3.3971 3.5566 3.5566 3.5616 3.5616 3.7225 3.7225 5.3968 5.3968 5.4116 5.4116 5.5076 5.5076 5.5592 5.5592 5.5715 5.5715 6.3686 6.3686 6.3696 6.3696 6.5204 6.5204 6.5622 6.5622 6.5642 6.5642 6.5902 6.5902 6.7031 6.7031 6.7055 6.7055 6.8042 6.8042 6.8172 6.8172 6.9764 6.9764 8.2472 8.2472 8.3652 8.3652 8.4674 8.4674 8.9751 8.9751 9.6897 9.6897 9.8022 9.8022 16.2079 16.2079 16.2683 16.2683 16.2780 16.2780 k = 0.0000 0.0676-0.0000 ( 2881 PWs) bands (ev): -11.7460 -11.7460 -11.0365 -11.0365 1.1714 1.1714 1.1758 1.1758 1.1887 1.1887 3.3521 3.3521 3.5400 3.5400 3.5444 3.5444 3.7580 3.7580 5.3996 5.3996 5.4223 5.4223 5.5142 5.5142 5.5663 5.5663 5.5832 5.5832 6.3692 6.3692 6.3708 6.3708 6.5199 6.5199 6.5625 6.5625 6.5665 6.5665 6.5899 6.5899 6.7030 6.7030 6.7072 6.7072 6.7958 6.7958 6.8159 6.8159 6.9721 6.9721 8.1799 8.1799 8.3612 8.3612 8.4589 8.4589 8.9893 8.9893 9.7168 9.7168 9.8789 9.8789 16.1686 16.1686 16.2599 16.2599 16.2697 16.2697 k = 0.0000 0.0811-0.0000 ( 2873 PWs) bands (ev): -11.7424 -11.7424 -11.0400 -11.0400 1.1767 1.1767 1.1833 1.1833 1.1958 1.1958 3.3059 3.3059 3.5202 3.5202 3.5239 3.5239 3.7930 3.7930 5.4031 5.4031 5.4351 5.4351 5.5202 5.5202 5.5767 5.5767 5.5971 5.5971 6.3699 6.3699 6.3722 6.3722 6.5188 6.5188 6.5627 6.5627 6.5697 6.5697 6.5893 6.5893 6.7030 6.7030 6.7098 6.7098 6.7858 6.7858 6.8144 6.8144 6.9671 6.9671 8.1042 8.1042 8.3563 8.3563 8.4510 8.4510 9.0066 9.0066 9.7496 9.7496 9.9632 9.9632 16.1240 16.1240 16.2501 16.2501 16.2596 16.2596 k = 0.0000 0.0946-0.0000 ( 2873 PWs) bands (ev): -11.7381 -11.7381 -11.0441 -11.0441 1.1829 1.1829 1.1921 1.1921 1.2042 1.2042 3.2587 3.2587 3.4972 3.4972 3.5002 3.5002 3.8275 3.8275 5.4071 5.4071 5.4497 5.4497 5.5248 5.5248 5.5907 5.5907 5.6131 5.6131 6.3705 6.3705 6.3737 6.3737 6.5170 6.5170 6.5626 6.5626 6.5739 6.5739 6.5878 6.5878 6.7031 6.7031 6.7132 6.7132 6.7746 6.7746 6.8127 6.8127 6.9616 6.9616 8.0229 8.0229 8.3506 8.3506 8.4432 8.4432 9.0270 9.0270 9.7879 9.7879 10.0526 10.0526 16.0760 16.0760 16.2388 16.2388 16.2479 16.2479 k = 0.0000 0.1081-0.0000 ( 2873 PWs) bands (ev): -11.7332 -11.7332 -11.0488 -11.0488 1.1900 1.1900 1.2022 1.2022 1.2140 1.2140 3.2106 3.2106 3.4714 3.4714 3.4736 3.4736 3.8615 3.8615 5.4118 5.4118 5.4660 5.4660 5.5283 5.5283 5.6078 5.6078 5.6308 5.6308 6.3712 6.3712 6.3754 6.3754 6.5144 6.5144 6.5621 6.5621 6.5789 6.5789 6.5848 6.5848 6.7034 6.7034 6.7177 6.7177 6.7626 6.7626 6.8109 6.8109 6.9558 6.9558 7.9380 7.9380 8.3440 8.3440 8.4351 8.4351 9.0505 9.0505 9.8314 9.8314 10.1452 10.1452 16.0261 16.0261 16.2260 16.2260 16.2346 16.2346 k = 0.0000 0.1216-0.0000 ( 2857 PWs) bands (ev): -11.7277 -11.7277 -11.0542 -11.0542 1.1979 1.1979 1.2138 1.2138 1.2253 1.2253 3.1617 3.1617 3.4430 3.4430 3.4444 3.4444 3.8953 3.8953 5.4170 5.4170 5.4838 5.4838 5.5309 5.5309 5.6277 5.6277 5.6502 5.6502 6.3720 6.3720 6.3771 6.3771 6.5112 6.5112 6.5615 6.5615 6.5800 6.5800 6.5847 6.5847 6.7042 6.7042 6.7231 6.7231 6.7510 6.7510 6.8092 6.8092 6.9497 6.9497 7.8512 7.8512 8.3367 8.3367 8.4266 8.4266 9.0771 9.0771 9.8800 9.8800 10.2392 10.2392 15.9760 15.9760 16.2118 16.2118 16.2199 16.2199 k = 0.0000 0.1351-0.0000 ( 2857 PWs) bands (ev): -11.7216 -11.7216 -11.0601 -11.0601 1.2067 1.2067 1.2265 1.2265 1.2378 1.2378 3.1120 3.1120 3.4123 3.4123 3.4128 3.4128 3.9289 3.9289 5.4228 5.4228 5.5028 5.5028 5.5327 5.5327 5.6495 5.6495 5.6707 5.6707 6.3726 6.3726 6.3788 6.3788 6.5074 6.5074 6.5603 6.5603 6.5728 6.5728 6.5907 6.5907 6.7053 6.7053 6.7258 6.7258 6.7438 6.7438 6.8076 6.8076 6.9434 6.9434 7.7634 7.7634 8.3284 8.3284 8.4174 8.4174 9.1066 9.1066 9.9334 9.9334 10.3333 10.3333 15.9271 15.9271 16.1963 16.1963 16.2038 16.2038 k = 0.0000 0.1486-0.0000 ( 2865 PWs) bands (ev): -11.7149 -11.7149 -11.0666 -11.0666 1.2164 1.2164 1.2404 1.2404 1.2515 1.2515 3.0616 3.0616 3.3790 3.3790 3.3793 3.3793 3.9622 3.9622 5.4291 5.4291 5.5226 5.5226 5.5340 5.5340 5.6729 5.6729 5.6923 5.6923 6.3731 6.3731 6.3803 6.3803 6.5031 6.5031 6.5586 6.5586 6.5628 6.5628 6.5966 6.5966 6.7070 6.7070 6.7191 6.7191 6.7484 6.7484 6.8063 6.8063 6.9370 6.9370 7.6756 7.6756 8.3194 8.3194 8.4075 8.4075 9.1390 9.1390 9.9914 9.9914 10.4264 10.4264 15.8807 15.8807 16.1796 16.1796 16.1864 16.1864 k = 0.0000 0.1622-0.0000 ( 2869 PWs) bands (ev): -11.7076 -11.7076 -11.0737 -11.0737 1.2270 1.2270 1.2556 1.2556 1.2666 1.2666 3.0107 3.0107 3.3434 3.3434 3.3445 3.3445 3.9957 3.9957 5.4359 5.4359 5.5349 5.5349 5.5435 5.5435 5.6974 5.6974 5.7146 5.7146 6.3734 6.3734 6.3815 6.3815 6.4984 6.4984 6.5489 6.5489 6.5573 6.5573 6.6019 6.6019 6.7089 6.7089 6.7096 6.7096 6.7595 6.7595 6.8055 6.8055 6.9305 6.9305 7.5884 7.5884 8.3096 8.3096 8.3969 8.3969 9.1743 9.1743 10.0537 10.0537 10.5173 10.5173 15.8380 15.8380 16.1618 16.1618 16.1679 16.1679 k = 0.0000 0.1757-0.0000 ( 2861 PWs) bands (ev): -11.6997 -11.6997 -11.0813 -11.0813 1.2385 1.2385 1.2721 1.2721 1.2829 1.2829 2.9594 2.9594 3.3061 3.3061 3.3080 3.3080 4.0295 4.0295 5.4431 5.4431 5.5354 5.5354 5.5651 5.5651 5.7229 5.7229 5.7378 5.7378 6.3739 6.3739 6.3825 6.3825 6.4936 6.4936 6.5324 6.5324 6.5551 6.5551 6.6064 6.6064 6.6990 6.6990 6.7130 6.7130 6.7733 6.7733 6.8056 6.8056 6.9239 6.9239 7.5026 7.5026 8.2990 8.2990 8.3856 8.3856 9.2125 9.2125 10.1203 10.1203 10.6050 10.6050 15.8003 15.8003 16.1431 16.1431 16.1485 16.1485 k = 0.0000 0.1892-0.0000 ( 2861 PWs) bands (ev): -11.6912 -11.6912 -11.0895 -11.0895 1.2510 1.2510 1.2896 1.2896 1.3004 1.3004 2.9078 2.9078 3.2674 3.2674 3.2701 3.2701 4.0634 4.0634 5.4508 5.4508 5.5355 5.5355 5.5871 5.5871 5.7488 5.7488 5.7612 5.7612 6.3741 6.3741 6.3828 6.3828 6.4889 6.4889 6.5129 6.5129 6.5525 6.5525 6.6092 6.6092 6.6901 6.6901 6.7173 6.7173 6.7891 6.7891 6.8069 6.8069 6.9174 6.9174 7.4185 7.4185 8.2878 8.2878 8.3735 8.3735 9.2534 9.2534 10.1908 10.1908 10.6887 10.6887 15.7684 15.7684 16.0961 16.0961 16.1237 16.1237 k = 0.0000 0.2027-0.0000 ( 2862 PWs) bands (ev): -11.6822 -11.6822 -11.0983 -11.0983 1.2644 1.2644 1.3084 1.3084 1.3190 1.3190 2.8560 2.8560 3.2276 3.2276 3.2309 3.2309 4.0978 4.0978 5.4586 5.4586 5.5352 5.5352 5.6095 5.6095 5.7750 5.7750 5.7849 5.7849 6.3741 6.3741 6.3824 6.3824 6.4843 6.4843 6.4909 6.4909 6.5496 6.5496 6.6103 6.6103 6.6820 6.6820 6.7220 6.7220 6.8066 6.8066 6.8099 6.8099 6.9110 6.9110 7.3367 7.3367 8.2758 8.2758 8.3607 8.3607 9.2970 9.2970 10.2651 10.2651 10.7674 10.7674 15.7424 15.7424 15.9379 15.9379 16.1034 16.1034 k = 0.0000 0.2162-0.0000 ( 2854 PWs) bands (ev): -11.6727 -11.6727 -11.1075 -11.1075 1.2788 1.2788 1.3282 1.3282 1.3387 1.3387 2.8041 2.8041 3.1867 3.1867 3.1907 3.1907 4.1326 4.1326 5.4665 5.4665 5.5351 5.5351 5.6320 5.6320 5.8013 5.8013 5.8087 5.8087 6.3741 6.3741 6.3810 6.3810 6.4669 6.4669 6.4803 6.4803 6.5464 6.5464 6.6094 6.6094 6.6748 6.6748 6.7267 6.7267 6.8151 6.8151 6.8252 6.8252 6.9050 6.9050 7.2580 7.2580 8.2632 8.2632 8.3471 8.3471 9.3431 9.3431 10.3430 10.3430 10.8402 10.8402 15.7157 15.7157 15.7880 15.7880 16.0827 16.0827 k = 0.0000 0.2297-0.0000 ( 2862 PWs) bands (ev): -11.6627 -11.6627 -11.1173 -11.1173 1.2942 1.2942 1.3490 1.3490 1.3594 1.3594 2.7521 2.7521 3.1450 3.1450 3.1497 3.1497 4.1678 4.1678 5.4737 5.4737 5.5348 5.5348 5.6545 5.6545 5.8274 5.8274 5.8323 5.8323 6.3737 6.3737 6.3783 6.3783 6.4413 6.4413 6.4770 6.4770 6.5427 6.5427 6.6066 6.6066 6.6681 6.6681 6.7306 6.7306 6.8223 6.8223 6.8439 6.8439 6.9002 6.9002 7.1829 7.1829 8.2499 8.2499 8.3329 8.3329 9.3917 9.3917 10.4244 10.4244 10.9065 10.9065 15.6041 15.6041 15.7318 15.7318 16.0615 16.0616 k = 0.0000 0.2432-0.0000 ( 2838 PWs) bands (ev): -11.6521 -11.6521 -11.1276 -11.1276 1.3106 1.3106 1.3709 1.3709 1.3813 1.3813 2.7003 2.7003 3.1027 3.1027 3.1080 3.1080 4.2038 4.2038 5.4800 5.4800 5.5355 5.5355 5.6770 5.6770 5.8535 5.8535 5.8560 5.8560 6.3730 6.3730 6.3744 6.3744 6.4152 6.4152 6.4748 6.4748 6.5387 6.5387 6.6022 6.6022 6.6619 6.6619 6.7335 6.7335 6.8312 6.8312 6.8602 6.8602 6.8992 6.8992 7.1126 7.1126 8.2362 8.2362 8.3181 8.3181 9.4427 9.4427 10.5091 10.5091 10.9655 10.9655 15.4475 15.4475 15.7306 15.7306 16.0402 16.0402 k = 0.0000 0.2568-0.0000 ( 2842 PWs) bands (ev): -11.6411 -11.6411 -11.1383 -11.1383 1.3280 1.3280 1.3937 1.3937 1.4040 1.4040 2.6486 2.6486 3.0600 3.0600 3.0657 3.0657 4.2403 4.2403 5.4836 5.4836 5.5379 5.5379 5.6993 5.6993 5.8788 5.8788 5.8790 5.8790 6.3688 6.3688 6.3699 6.3699 6.3903 6.3903 6.4734 6.4734 6.5342 6.5342 6.5957 6.5957 6.6560 6.6560 6.7351 6.7351 6.8396 6.8396 6.8672 6.8672 6.9083 6.9083 7.0495 7.0495 8.2219 8.2219 8.3026 8.3026 9.4960 9.4960 10.5970 10.5970 11.0166 11.0166 15.2883 15.2883 15.7428 15.7428 16.0187 16.0188 k = 0.0000 0.2703-0.0000 ( 2846 PWs) bands (ev): -11.6296 -11.6296 -11.1495 -11.1495 1.3464 1.3464 1.4173 1.4173 1.4275 1.4275 2.5971 2.5971 3.0170 3.0170 3.0232 3.0232 4.2776 4.2776 5.4835 5.4835 5.5432 5.5432 5.7212 5.7212 5.9016 5.9016 5.9034 5.9034 6.3534 6.3534 6.3617 6.3617 6.3782 6.3782 6.4731 6.4731 6.5293 6.5293 6.5875 6.5875 6.6503 6.6503 6.7354 6.7354 6.8430 6.8430 6.8652 6.8652 6.9272 6.9272 6.9983 6.9983 8.2071 8.2071 8.2865 8.2865 9.5513 9.5513 10.6879 10.6879 11.0593 11.0593 15.1291 15.1291 15.7666 15.7666 15.9972 15.9973 k = 0.0000 0.2838-0.0000 ( 2842 PWs) bands (ev): -11.6177 -11.6177 -11.1611 -11.1611 1.3658 1.3658 1.4417 1.4417 1.4518 1.4518 2.5461 2.5461 2.9740 2.9740 2.9806 2.9806 4.3156 4.3156 5.4793 5.4793 5.5514 5.5514 5.7428 5.7428 5.9236 5.9236 5.9273 5.9273 6.3268 6.3268 6.3533 6.3533 6.3762 6.3762 6.4737 6.4737 6.5240 6.5240 6.5776 6.5776 6.6448 6.6448 6.7342 6.7342 6.8328 6.8328 6.8601 6.8601 6.9501 6.9501 6.9685 6.9685 8.1920 8.1920 8.2699 8.2699 9.6087 9.6087 10.7818 10.7818 11.0934 11.0934 14.9705 14.9705 15.8019 15.8019 15.9753 15.9754 k = 0.0000 0.2973-0.0000 ( 2846 PWs) bands (ev): -11.6054 -11.6054 -11.1732 -11.1732 1.3863 1.3863 1.4668 1.4668 1.4768 1.4768 2.4954 2.4954 2.9311 2.9311 2.9380 2.9380 4.3543 4.3543 5.4714 5.4714 5.5621 5.5621 5.7639 5.7639 5.9448 5.9448 5.9502 5.9502 6.2988 6.2988 6.3437 6.3437 6.3757 6.3757 6.4751 6.4751 6.5182 6.5182 6.5656 6.5656 6.6394 6.6394 6.7299 6.7299 6.8067 6.8067 6.8538 6.8538 6.9637 6.9637 6.9745 6.9745 8.1767 8.1767 8.2528 8.2528 9.6679 9.6679 10.8785 10.8785 11.1185 11.1185 14.8127 14.8127 15.8487 15.8487 15.9538 15.9538 k = 0.0000 0.3108-0.0000 ( 2854 PWs) bands (ev): -11.5927 -11.5927 -11.1856 -11.1856 1.4078 1.4078 1.4924 1.4924 1.5024 1.5024 2.4452 2.4452 2.8884 2.8884 2.8956 2.8956 4.3937 4.3937 5.4602 5.4602 5.5743 5.5743 5.7844 5.7844 5.9648 5.9648 5.9718 5.9718 6.2710 6.2710 6.3331 6.3331 6.3756 6.3756 6.4771 6.4771 6.5119 6.5119 6.5516 6.5516 6.6340 6.6340 6.7185 6.7185 6.7789 6.7789 6.8472 6.8472 6.9745 6.9745 6.9995 6.9995 8.1612 8.1612 8.2353 8.2353 9.7287 9.7287 10.9780 10.9780 11.1348 11.1348 14.6560 14.6560 15.9062 15.9062 15.9328 15.9328 k = 0.0000 0.3243-0.0000 ( 2858 PWs) bands (ev): -11.5796 -11.5796 -11.1985 -11.1985 1.4304 1.4304 1.5186 1.5186 1.5284 1.5284 2.3956 2.3956 2.8463 2.8463 2.8537 2.8537 4.4340 4.4340 5.4459 5.4459 5.5880 5.5880 5.8044 5.8044 5.9835 5.9835 5.9919 5.9919 6.2439 6.2439 6.3221 6.3221 6.3754 6.3754 6.4793 6.4793 6.5051 6.5051 6.5355 6.5355 6.6286 6.6286 6.6955 6.6955 6.7628 6.7628 6.8405 6.8405 6.9922 6.9922 7.0247 7.0247 8.1456 8.1456 8.2176 8.2176 9.7911 9.7911 11.0802 11.0802 11.1423 11.1423 14.5005 14.5005 15.9125 15.9125 15.9142 15.9142 k = 0.0000 0.3378-0.0000 ( 2850 PWs) bands (ev): -11.5662 -11.5662 -11.2116 -11.2116 1.4542 1.4542 1.5450 1.5450 1.5546 1.5546 2.3467 2.3467 2.8049 2.8049 2.8124 2.8124 4.4751 4.4751 5.4287 5.4287 5.6031 5.6031 5.8239 5.8239 6.0003 6.0003 6.0104 6.0104 6.2185 6.2185 6.3110 6.3110 6.3762 6.3762 6.4811 6.4811 6.4979 6.4979 6.5175 6.5175 6.6233 6.6233 6.6666 6.6666 6.7566 6.7566 6.8338 6.8338 7.0130 7.0130 7.0498 7.0498 8.1303 8.1303 8.1996 8.1996 9.8550 9.8550 11.1413 11.1413 11.1849 11.1849 14.3463 14.3463 15.8932 15.8932 15.8956 15.8956 k = 0.0000 0.3514-0.0000 ( 2850 PWs) bands (ev): -11.5525 -11.5525 -11.2251 -11.2251 1.4790 1.4790 1.5716 1.5716 1.5810 1.5810 2.2984 2.2984 2.7645 2.7645 2.7720 2.7720 4.5169 4.5169 5.4083 5.4083 5.6189 5.6189 5.8427 5.8427 6.0142 6.0142 6.0266 6.0266 6.1956 6.1956 6.3002 6.3002 6.3769 6.3769 6.4801 6.4801 6.4903 6.4903 6.5007 6.5007 6.6179 6.6179 6.6389 6.6389 6.7542 6.7542 6.8273 6.8273 7.0354 7.0354 7.0743 7.0743 8.1152 8.1152 8.1816 8.1816 9.9200 9.9200 11.1323 11.1323 11.2922 11.2922 14.1935 14.1935 15.8747 15.8747 15.8775 15.8775 k = 0.0000 0.3649-0.0000 ( 2842 PWs) bands (ev): -11.5385 -11.5385 -11.2389 -11.2389 1.5048 1.5048 1.5982 1.5982 1.6073 1.6073 2.2508 2.2508 2.7252 2.7252 2.7327 2.7327 4.5596 4.5596 5.3848 5.3848 5.6358 5.6358 5.8608 5.8608 6.0235 6.0235 6.0404 6.0404 6.1770 6.1770 6.2906 6.2906 6.3779 6.3779 6.4669 6.4669 6.4823 6.4823 6.4946 6.4946 6.6126 6.6126 6.6150 6.6150 6.7535 6.7535 6.8209 6.8209 7.0583 7.0583 7.0980 7.0980 8.1006 8.1006 8.1637 8.1637 9.9861 9.9861 11.1157 11.1157 11.4019 11.4019 14.0422 14.0422 15.8575 15.8575 15.8605 15.8605 k = 0.0000 0.3784-0.0000 ( 2842 PWs) bands (ev): -11.5242 -11.5242 -11.2530 -11.2530 1.5318 1.5318 1.6244 1.6244 1.6332 1.6332 2.2041 2.2041 2.6875 2.6875 2.6949 2.6949 4.6029 4.6029 5.3582 5.3582 5.6533 5.6533 5.8780 5.8780 6.0261 6.0261 6.0510 6.0510 6.1651 6.1651 6.2827 6.2827 6.3792 6.3792 6.4461 6.4461 6.4741 6.4741 6.4956 6.4956 6.5948 6.5948 6.6072 6.6072 6.7536 6.7536 6.8147 6.8147 7.0811 7.0811 7.1205 7.1205 8.0867 8.0867 8.1460 8.1460 10.0530 10.0530 11.0919 11.0919 11.5140 11.5140 13.8925 13.8925 15.8415 15.8415 15.8446 15.8446 k = 0.0000 0.3919-0.0000 ( 2842 PWs) bands (ev): -11.5097 -11.5097 -11.2674 -11.2674 1.5599 1.5599 1.6499 1.6499 1.6583 1.6583 2.1582 2.1582 2.6516 2.6516 2.6588 2.6588 4.6468 4.6468 5.3286 5.3286 5.6715 5.6715 5.8943 5.8943 6.0205 6.0205 6.0581 6.0581 6.1614 6.1614 6.2773 6.2773 6.3806 6.3806 6.4245 6.4245 6.4658 6.4658 6.4974 6.4974 6.5781 6.5781 6.6019 6.6019 6.7542 6.7542 6.8087 6.8087 7.1034 7.1034 7.1415 7.1415 8.0737 8.0737 8.1287 8.1287 10.1205 10.1205 11.0617 11.0617 11.6284 11.6284 13.7443 13.7443 15.8268 15.8268 15.8300 15.8300 k = 0.0000 0.4054-0.0000 ( 2842 PWs) bands (ev): -11.4949 -11.4949 -11.2819 -11.2819 1.5891 1.5891 1.6745 1.6745 1.6824 1.6824 2.1131 2.1131 2.6180 2.6180 2.6248 2.6248 4.6914 4.6914 5.2962 5.2962 5.6904 5.6904 5.9092 5.9092 6.0081 6.0081 6.0614 6.0614 6.1651 6.1651 6.2747 6.2747 6.3820 6.3820 6.4039 6.4039 6.4577 6.4577 6.4984 6.4984 6.5647 6.5647 6.5965 6.5965 6.7553 6.7553 6.8030 6.8030 7.1248 7.1248 7.1607 7.1607 8.0619 8.0619 8.1120 8.1120 10.1884 10.1884 11.0256 11.0256 11.7452 11.7452 13.5979 13.5979 15.8137 15.8137 15.8167 15.8167 k = 0.0000 0.4189-0.0000 ( 2842 PWs) bands (ev): -11.4800 -11.4800 -11.2967 -11.2967 1.6194 1.6194 1.6977 1.6977 1.7050 1.7050 2.0690 2.0690 2.5872 2.5872 2.5935 2.5935 4.7365 4.7365 5.2611 5.2611 5.7100 5.7100 5.9220 5.9220 5.9921 5.9921 6.0611 6.0611 6.1737 6.1737 6.2746 6.2746 6.3830 6.3830 6.3850 6.3850 6.4503 6.4503 6.4975 6.4975 6.5550 6.5550 6.5913 6.5913 6.7566 6.7566 6.7976 6.7976 7.1450 7.1450 7.1778 7.1778 8.0515 8.0515 8.0961 8.0961 10.2566 10.2566 10.9841 10.9841 11.8642 11.8642 13.4531 13.4531 15.8021 15.8021 15.8050 15.8050 k = 0.0000 0.4324-0.0000 ( 2854 PWs) bands (ev): -11.4649 -11.4649 -11.3117 -11.3117 1.6507 1.6507 1.7189 1.7189 1.7255 1.7255 2.0259 2.0259 2.5597 2.5597 2.5653 2.5653 4.7820 4.7820 5.2236 5.2236 5.7302 5.7302 5.9294 5.9294 5.9779 5.9779 6.0576 6.0576 6.1850 6.1850 6.2762 6.2762 6.3685 6.3685 6.3829 6.3829 6.4442 6.4442 6.4937 6.4937 6.5495 6.5495 6.5859 6.5859 6.7583 6.7583 6.7924 6.7924 7.1634 7.1634 7.1922 7.1922 8.0429 8.0429 8.0813 8.0813 10.3247 10.3247 10.9380 10.9380 11.9854 11.9854 13.3101 13.3101 15.7923 15.7923 15.7948 15.7948 k = 0.0000 0.4459-0.0000 ( 2850 PWs) bands (ev): -11.4497 -11.4497 -11.3268 -11.3268 1.6832 1.6832 1.7377 1.7377 1.7435 1.7435 1.9837 1.9837 2.5360 2.5360 2.5408 2.5408 4.8278 4.8278 5.1840 5.1840 5.7511 5.7511 5.9239 5.9239 5.9744 5.9744 6.0517 6.0517 6.1980 6.1980 6.2780 6.2780 6.3554 6.3554 6.3812 6.3812 6.4405 6.4405 6.4873 6.4873 6.5479 6.5479 6.5805 6.5805 6.7604 6.7604 6.7876 6.7876 7.1798 7.1798 7.2039 7.2039 8.0363 8.0363 8.0679 8.0679 10.3925 10.3925 10.8877 10.8877 12.1087 12.1087 13.1689 13.1689 15.7842 15.7842 15.7863 15.7863 k = 0.0000 0.4595-0.0000 ( 2850 PWs) bands (ev): -11.4344 -11.4344 -11.3420 -11.3420 1.7166 1.7166 1.7534 1.7534 1.7583 1.7583 1.9425 1.9425 2.5169 2.5169 2.5206 2.5206 4.8737 4.8737 5.1427 5.1427 5.7726 5.7726 5.9068 5.9068 5.9814 5.9814 6.0439 6.0439 6.2116 6.2116 6.2775 6.2775 6.3474 6.3474 6.3772 6.3772 6.4398 6.4398 6.4792 6.4792 6.5490 6.5490 6.5752 6.5752 6.7627 6.7627 6.7831 6.7831 7.1937 7.1937 7.2125 7.2125 8.0319 8.0319 8.0562 8.0562 10.4598 10.4598 10.8339 10.8339 12.2342 12.2342 13.0296 13.0296 15.7778 15.7779 15.7795 15.7795 k = 0.0000 0.4730-0.0000 ( 2866 PWs) bands (ev): -11.4190 -11.4190 -11.3573 -11.3573 1.7504 1.7504 1.7653 1.7653 1.7701 1.7701 1.9024 1.9024 2.5028 2.5028 2.5054 2.5054 4.9197 4.9197 5.0998 5.0998 5.7944 5.7944 5.8852 5.8852 5.9917 5.9917 6.0347 6.0347 6.2253 6.2253 6.2726 6.2726 6.3456 6.3456 6.3710 6.3710 6.4421 6.4421 6.4703 6.4703 6.5518 6.5518 6.5700 6.5700 6.7652 6.7652 6.7788 6.7788 7.2048 7.2048 7.2177 7.2177 8.0298 8.0298 8.0463 8.0463 10.5262 10.5262 10.7768 10.7768 12.3617 12.3617 12.8921 12.8921 15.7734 15.7734 15.7745 15.7745 k = 0.0000 0.4865-0.0000 ( 2866 PWs) bands (ev): -11.4036 -11.4036 -11.3727 -11.3727 1.7726 1.7726 1.7729 1.7729 1.7901 1.7901 1.8634 1.8634 2.4944 2.4944 2.4958 2.4958 4.9655 4.9655 5.0558 5.0558 5.8169 5.8169 5.8626 5.8626 6.0029 6.0029 6.0247 6.0247 6.2389 6.2389 6.2635 6.2635 6.3491 6.3491 6.3634 6.3634 6.4470 6.4470 6.4616 6.4616 6.5557 6.5557 6.5650 6.5650 6.7681 6.7681 6.7749 6.7749 7.2130 7.2130 7.2196 7.2196 8.0302 8.0302 8.0386 8.0386 10.5915 10.5915 10.7171 10.7171 12.4913 12.4913 12.7566 12.7566 15.7708 15.7708 15.7714 15.7714 k = 0.0000 0.5000-0.0000 ( 2874 PWs) bands (ev): -11.3882 -11.3882 -11.3882 -11.3882 1.7757 1.7757 1.7757 1.7757 1.8257 1.8257 1.8257 1.8257 2.4920 2.4920 2.4920 2.4920 5.0110 5.0110 5.0110 5.0110 5.8396 5.8396 5.8396 5.8396 6.0139 6.0139 6.0139 6.0139 6.2519 6.2519 6.2519 6.2519 6.3556 6.3556 6.3556 6.3556 6.4535 6.4535 6.4535 6.4535 6.5601 6.5601 6.5601 6.5601 6.7714 6.7714 6.7714 6.7714 7.2180 7.2180 7.2180 7.2180 8.0331 8.0331 8.0331 8.0331 10.6552 10.6552 10.6552 10.6552 12.6230 12.6230 12.6230 12.6230 15.7701 15.7701 15.7701 15.7701 k = 0.0000 0.5000-0.0000 ( 2874 PWs) bands (ev): -11.3882 -11.3882 -11.3882 -11.3882 1.7757 1.7757 1.7757 1.7757 1.8257 1.8257 1.8257 1.8257 2.4920 2.4920 2.4920 2.4920 5.0110 5.0110 5.0110 5.0110 5.8396 5.8396 5.8396 5.8396 6.0139 6.0139 6.0139 6.0139 6.2519 6.2519 6.2519 6.2519 6.3556 6.3556 6.3556 6.3556 6.4535 6.4535 6.4535 6.4535 6.5601 6.5601 6.5601 6.5601 6.7714 6.7714 6.7714 6.7714 7.2180 7.2180 7.2180 7.2180 8.0331 8.0331 8.0331 8.0331 10.6552 10.6552 10.6552 10.6552 12.6230 12.6230 12.6230 12.6230 15.7701 15.7701 15.7701 15.7701 k = 0.0135 0.5000-0.0000 ( 2870 PWs) bands (ev): -11.3881 -11.3881 -11.3881 -11.3881 1.7594 1.7594 1.7654 1.7654 1.8353 1.8353 1.8414 1.8414 2.4925 2.4925 2.4929 2.4929 5.0108 5.0108 5.0121 5.0121 5.8395 5.8395 5.8395 5.8395 6.0120 6.0120 6.0156 6.0156 6.2428 6.2428 6.2591 6.2591 6.3529 6.3529 6.3593 6.3593 6.4462 6.4462 6.4621 6.4621 6.5595 6.5595 6.5611 6.5611 6.7705 6.7705 6.7726 6.7726 7.2160 7.2160 7.2195 7.2195 8.0317 8.0317 8.0334 8.0334 10.6554 10.6554 10.6560 10.6560 12.6213 12.6213 12.6215 12.6215 15.7686 15.7686 15.7689 15.7689 k = 0.0270 0.5000-0.0000 ( 2862 PWs) bands (ev): -11.3880 -11.3880 -11.3880 -11.3880 1.7334 1.7334 1.7406 1.7406 1.8583 1.8583 1.8657 1.8657 2.4943 2.4943 2.4951 2.4951 5.0117 5.0117 5.0143 5.0143 5.8390 5.8390 5.8390 5.8390 6.0098 6.0098 6.0168 6.0168 6.2326 6.2326 6.2635 6.2635 6.3519 6.3519 6.3635 6.3635 6.4405 6.4405 6.4716 6.4716 6.5590 6.5590 6.5623 6.5623 6.7702 6.7702 6.7742 6.7742 7.2135 7.2135 7.2206 7.2206 8.0291 8.0291 8.0326 8.0326 10.6566 10.6566 10.6579 10.6579 12.6164 12.6164 12.6168 12.6168 15.7643 15.7643 15.7650 15.7650 k = 0.0405 0.5000-0.0000 ( 2862 PWs) bands (ev): -11.3878 -11.3878 -11.3878 -11.3878 1.7050 1.7050 1.7124 1.7124 1.8834 1.8834 1.8911 1.8911 2.4973 2.4973 2.4986 2.4986 5.0135 5.0135 5.0175 5.0175 5.8380 5.8380 5.8381 5.8381 6.0074 6.0074 6.0177 6.0177 6.2217 6.2217 6.2646 6.2646 6.3530 6.3530 6.3677 6.3677 6.4363 6.4363 6.4817 6.4817 6.5587 6.5587 6.5639 6.5639 6.7702 6.7702 6.7760 6.7760 7.2106 7.2106 7.2211 7.2211 8.0254 8.0254 8.0306 8.0306 10.6586 10.6586 10.6606 10.6606 12.6085 12.6085 12.6091 12.6091 15.7576 15.7576 15.7585 15.7585 k = 0.0541 0.5000-0.0000 ( 2858 PWs) bands (ev): -11.3875 -11.3875 -11.3875 -11.3875 1.6757 1.6757 1.6830 1.6830 1.9084 1.9084 1.9162 1.9162 2.5016 2.5016 2.5033 2.5033 5.0163 5.0163 5.0216 5.0216 5.8366 5.8366 5.8368 5.8368 6.0049 6.0049 6.0181 6.0181 6.2104 6.2104 6.2624 6.2624 6.3562 6.3562 6.3718 6.3718 6.4342 6.4342 6.4922 6.4922 6.5585 6.5585 6.5661 6.5661 6.7708 6.7708 6.7782 6.7782 7.2071 7.2071 7.2211 7.2211 8.0207 8.0207 8.0275 8.0275 10.6615 10.6615 10.6641 10.6641 12.5977 12.5977 12.5983 12.5983 15.7486 15.7486 15.7498 15.7498 k = 0.0676 0.5000-0.0000 ( 2868 PWs) bands (ev): -11.3872 -11.3872 -11.3872 -11.3872 1.6459 1.6459 1.6531 1.6531 1.9328 1.9328 1.9406 1.9406 2.5073 2.5073 2.5094 2.5094 5.0200 5.0200 5.0266 5.0266 5.8346 5.8346 5.8352 5.8352 6.0023 6.0023 6.0181 6.0181 6.1991 6.1991 6.2575 6.2575 6.3603 6.3603 6.3753 6.3753 6.4340 6.4340 6.5024 6.5024 6.5584 6.5584 6.5689 6.5689 6.7720 6.7720 6.7805 6.7805 7.2032 7.2032 7.2207 7.2207 8.0149 8.0149 8.0233 8.0233 10.6648 10.6648 10.6683 10.6683 12.5841 12.5841 12.5847 12.5847 15.7380 15.7380 15.7393 15.7393 k = 0.0811 0.5000-0.0000 ( 2866 PWs) bands (ev): -11.3868 -11.3868 -11.3868 -11.3868 1.6160 1.6160 1.6230 1.6230 1.9562 1.9562 1.9639 1.9639 2.5142 2.5142 2.5167 2.5167 5.0248 5.0248 5.0328 5.0328 5.8321 5.8321 5.8333 5.8333 6.0000 6.0000 6.0179 6.0179 6.1879 6.1879 6.2507 6.2507 6.3647 6.3647 6.3783 6.3783 6.4360 6.4360 6.5121 6.5121 6.5586 6.5586 6.5725 6.5725 6.7740 6.7740 6.7832 6.7832 7.1990 7.1990 7.2199 7.2199 8.0082 8.0082 8.0181 8.0181 10.6686 10.6686 10.6728 10.6728 12.5681 12.5681 12.5684 12.5684 15.7263 15.7263 15.7277 15.7277 k = 0.0946 0.5000-0.0000 ( 2862 PWs) bands (ev): -11.3863 -11.3863 -11.3863 -11.3863 1.5860 1.5860 1.5928 1.5928 1.9785 1.9785 1.9861 1.9861 2.5223 2.5223 2.5253 2.5253 5.0306 5.0306 5.0399 5.0399 5.8290 5.8290 5.8310 5.8310 5.9979 5.9979 6.0175 6.0175 6.1771 6.1771 6.2428 6.2428 6.3683 6.3683 6.3807 6.3807 6.4401 6.4401 6.5209 6.5209 6.5589 6.5589 6.5770 6.5770 6.7768 6.7768 6.7861 6.7861 7.1945 7.1945 7.2187 7.2187 8.0006 8.0006 8.0120 8.0120 10.6724 10.6724 10.6776 10.6776 12.5498 12.5498 12.5498 12.5498 15.7143 15.7143 15.7156 15.7156 k = 0.1081 0.5000-0.0000 ( 2854 PWs) bands (ev): -11.3858 -11.3858 -11.3857 -11.3857 1.5561 1.5561 1.5627 1.5627 1.9996 1.9996 2.0070 2.0070 2.5317 2.5317 2.5351 2.5351 5.0374 5.0374 5.0480 5.0480 5.8253 5.8253 5.8284 5.8284 5.9962 5.9962 6.0170 6.0170 6.1666 6.1666 6.2343 6.2343 6.3709 6.3709 6.3824 6.3824 6.4463 6.4463 6.5285 6.5285 6.5594 6.5594 6.5824 6.5824 6.7806 6.7806 6.7894 6.7894 7.1897 7.1897 7.2172 7.2172 7.9923 7.9923 8.0050 8.0050 10.6760 10.6760 10.6822 10.6822 12.5292 12.5292 12.5297 12.5297 15.7026 15.7026 15.7038 15.7038 k = 0.1216 0.5000-0.0000 ( 2850 PWs) bands (ev): -11.3852 -11.3852 -11.3851 -11.3851 1.5264 1.5264 1.5328 1.5328 2.0194 2.0194 2.0266 2.0266 2.5422 2.5422 2.5460 2.5460 5.0451 5.0451 5.0570 5.0570 5.8210 5.8210 5.8253 5.8253 5.9950 5.9950 6.0164 6.0164 6.1567 6.1567 6.2256 6.2256 6.3723 6.3723 6.3833 6.3833 6.4536 6.4536 6.5349 6.5349 6.5600 6.5600 6.5883 6.5883 6.7854 6.7854 6.7929 6.7929 7.1847 7.1847 7.2154 7.2154 7.9833 7.9833 7.9973 7.9973 10.6792 10.6792 10.6863 10.6863 12.5069 12.5069 12.5080 12.5080 15.6918 15.6918 15.6930 15.6930 k = 0.1351 0.5000-0.0000 ( 2856 PWs) bands (ev): -11.3845 -11.3845 -11.3844 -11.3844 1.4970 1.4970 1.5031 1.5031 2.0378 2.0378 2.0447 2.0447 2.5538 2.5538 2.5580 2.5580 5.0537 5.0537 5.0670 5.0670 5.8160 5.8160 5.8217 5.8217 5.9941 5.9941 6.0158 6.0158 6.1472 6.1472 6.2168 6.2168 6.3726 6.3726 6.3834 6.3834 6.4618 6.4618 6.5401 6.5401 6.5609 6.5609 6.5944 6.5944 6.7914 6.7914 6.7967 6.7967 7.1795 7.1795 7.2133 7.2133 7.9736 7.9736 7.9888 7.9888 10.6814 10.6814 10.6896 10.6896 12.4833 12.4833 12.4853 12.4853 15.6822 15.6822 15.6836 15.6836 k = 0.1486 0.5000-0.0000 ( 2852 PWs) bands (ev): -11.3838 -11.3838 -11.3837 -11.3837 1.4679 1.4679 1.4738 1.4738 2.0549 2.0549 2.0616 2.0616 2.5664 2.5664 2.5710 2.5710 5.0633 5.0633 5.0778 5.0778 5.8105 5.8105 5.8179 5.8179 5.9938 5.9938 6.0153 6.0153 6.1384 6.1384 6.2083 6.2083 6.3722 6.3722 6.3827 6.3827 6.4702 6.4702 6.5444 6.5444 6.5622 6.5622 6.6004 6.6004 6.7987 6.7987 6.8009 6.8009 7.1744 7.1744 7.2111 7.2111 7.9635 7.9635 7.9797 7.9797 10.6824 10.6824 10.6918 10.6918 12.4590 12.4590 12.4619 12.4619 15.6735 15.6735 15.6754 15.6754 k = 0.1622 0.5000-0.0000 ( 2852 PWs) bands (ev): -11.3830 -11.3830 -11.3830 -11.3830 1.4393 1.4393 1.4450 1.4450 2.0707 2.0707 2.0771 2.0771 2.5799 2.5799 2.5848 2.5848 5.0737 5.0737 5.0896 5.0896 5.8043 5.8043 5.8135 5.8135 5.9941 5.9941 6.0150 6.0150 6.1303 6.1303 6.2003 6.2003 6.3710 6.3710 6.3812 6.3812 6.4784 6.4784 6.5479 6.5479 6.5637 6.5637 6.6059 6.6059 6.8054 6.8054 6.8071 6.8071 7.1693 7.1693 7.2088 7.2088 7.9530 7.9530 7.9701 7.9701 10.6819 10.6819 10.6926 10.6926 12.4343 12.4343 12.4382 12.4382 15.6644 15.6644 15.6672 15.6672 k = 0.1757 0.5000-0.0000 ( 2852 PWs) bands (ev): -11.3822 -11.3822 -11.3821 -11.3821 1.4113 1.4113 1.4167 1.4167 2.0852 2.0852 2.0913 2.0913 2.5941 2.5941 2.5993 2.5993 5.0851 5.0851 5.1022 5.1022 5.7978 5.7978 5.8088 5.8088 5.9949 5.9949 6.0149 6.0149 6.1229 6.1229 6.1928 6.1928 6.3692 6.3692 6.3790 6.3790 6.4860 6.4860 6.5508 6.5508 6.5656 6.5656 6.6107 6.6107 6.8102 6.8102 6.8167 6.8167 7.1643 7.1643 7.2064 7.2064 7.9421 7.9421 7.9600 7.9600 10.6796 10.6796 10.6916 10.6916 12.4097 12.4097 12.4149 12.4149 15.6524 15.6525 15.6563 15.6563 k = 0.1892 0.5000-0.0000 ( 2856 PWs) bands (ev): -11.3814 -11.3814 -11.3813 -11.3813 1.3839 1.3839 1.3890 1.3890 2.0984 2.0984 2.1042 2.1042 2.6089 2.6089 2.6144 2.6144 5.0972 5.0972 5.1156 5.1156 5.7909 5.7909 5.8038 5.8038 5.9962 5.9962 6.0150 6.0150 6.1163 6.1163 6.1858 6.1858 6.3667 6.3667 6.3760 6.3760 6.4928 6.4928 6.5529 6.5529 6.5676 6.5676 6.6146 6.6146 6.8154 6.8154 6.8271 6.8271 7.1594 7.1594 7.2040 7.2040 7.9311 7.9311 7.9497 7.9497 10.6753 10.6753 10.6885 10.6885 12.3857 12.3857 12.3921 12.3921 15.6355 15.6355 15.6396 15.6396 k = 0.2027 0.5000-0.0000 ( 2856 PWs) bands (ev): -11.3805 -11.3805 -11.3804 -11.3804 1.3571 1.3571 1.3620 1.3620 2.1105 2.1105 2.1160 2.1160 2.6242 2.6242 2.6299 2.6299 5.1102 5.1102 5.1299 5.1299 5.7835 5.7835 5.7984 5.7984 5.9980 5.9980 6.0155 6.0155 6.1104 6.1104 6.1795 6.1795 6.3637 6.3637 6.3724 6.3724 6.4987 6.4987 6.5546 6.5546 6.5701 6.5701 6.6177 6.6177 6.8210 6.8210 6.8383 6.8383 7.1550 7.1550 7.2018 7.2018 7.9200 7.9200 7.9390 7.9390 10.6686 10.6686 10.6831 10.6831 12.3628 12.3628 12.3705 12.3705 15.6133 15.6133 15.6168 15.6169 k = 0.2162 0.5000-0.0000 ( 2858 PWs) bands (ev): -11.3796 -11.3796 -11.3795 -11.3795 1.3311 1.3311 1.3358 1.3358 2.1214 2.1214 2.1267 2.1267 2.6398 2.6398 2.6457 2.6457 5.1239 5.1239 5.1449 5.1449 5.7759 5.7759 5.7927 5.7927 6.0003 6.0003 6.0164 6.0164 6.1055 6.1055 6.1739 6.1739 6.3601 6.3601 6.3681 6.3681 6.5035 6.5035 6.5556 6.5556 6.5727 6.5727 6.6198 6.6198 6.8268 6.8268 6.8500 6.8500 7.1510 7.1510 7.1997 7.1997 7.9088 7.9088 7.9281 7.9281 10.6596 10.6596 10.6753 10.6753 12.3412 12.3412 12.3502 12.3502 15.5876 15.5876 15.5903 15.5903 k = 0.2297 0.5000-0.0000 ( 2854 PWs) bands (ev): -11.3787 -11.3787 -11.3786 -11.3786 1.3059 1.3059 1.3103 1.3103 2.1314 2.1314 2.1363 2.1363 2.6556 2.6556 2.6615 2.6615 5.1385 5.1385 5.1606 5.1606 5.7680 5.7680 5.7866 5.7866 6.0030 6.0030 6.0176 6.0176 6.1015 6.1015 6.1692 6.1692 6.3560 6.3560 6.3633 6.3633 6.5075 6.5075 6.5560 6.5560 6.5752 6.5752 6.6211 6.6211 6.8330 6.8330 6.8619 6.8619 7.1476 7.1476 7.1978 7.1978 7.8978 7.8978 7.9172 7.9172 10.6480 10.6480 10.6650 10.6650 12.3213 12.3213 12.3316 12.3316 15.5597 15.5597 15.5617 15.5617 k = 0.2432 0.5000-0.0000 ( 2854 PWs) bands (ev): -11.3778 -11.3778 -11.3777 -11.3777 1.2815 1.2815 1.2857 1.2857 2.1404 2.1404 2.1451 2.1451 2.6714 2.6714 2.6774 2.6774 5.1536 5.1536 5.1769 5.1769 5.7599 5.7599 5.7803 5.7803 6.0059 6.0059 6.0191 6.0191 6.0984 6.0984 6.1653 6.1653 6.3514 6.3514 6.3580 6.3580 6.5105 6.5105 6.5558 6.5558 6.5774 6.5774 6.6216 6.6216 6.8394 6.8394 6.8738 6.8738 7.1448 7.1448 7.1962 7.1962 7.8868 7.8868 7.9062 7.9062 10.6341 10.6341 10.6521 10.6521 12.3034 12.3034 12.3148 12.3148 15.5308 15.5308 15.5323 15.5323 k = 0.2568 0.5000-0.0000 ( 2854 PWs) bands (ev): -11.3769 -11.3769 -11.3768 -11.3768 1.2581 1.2581 1.2620 1.2620 2.1486 2.1486 2.1530 2.1530 2.6870 2.6870 2.6931 2.6931 5.1692 5.1692 5.1937 5.1937 5.7517 5.7517 5.7738 5.7738 6.0092 6.0092 6.0209 6.0209 6.0962 6.0962 6.1622 6.1622 6.3463 6.3463 6.3522 6.3522 6.5129 6.5129 6.5550 6.5550 6.5792 6.5792 6.6214 6.6214 6.8461 6.8461 6.8854 6.8854 7.1429 7.1429 7.1949 7.1949 7.8761 7.8761 7.8953 7.8953 10.6179 10.6179 10.6368 10.6368 12.2875 12.2875 12.3000 12.3000 15.5015 15.5015 15.5026 15.5026 k = 0.2703 0.5000-0.0000 ( 2850 PWs) bands (ev): -11.3759 -11.3759 -11.3759 -11.3759 1.2356 1.2356 1.2393 1.2393 2.1559 2.1559 2.1601 2.1601 2.7025 2.7025 2.7085 2.7085 5.1855 5.1855 5.2110 5.2110 5.7434 5.7434 5.7670 5.7670 6.0127 6.0127 6.0230 6.0230 6.0952 6.0952 6.1600 6.1600 6.3406 6.3406 6.3460 6.3460 6.5146 6.5146 6.5536 6.5536 6.5803 6.5803 6.6205 6.6205 6.8529 6.8529 6.8965 6.8965 7.1418 7.1418 7.1941 7.1941 7.8657 7.8657 7.8846 7.8846 10.5995 10.5995 10.6192 10.6192 12.2738 12.2738 12.2872 12.2872 15.4723 15.4723 15.4731 15.4731 k = 0.2838 0.5000-0.0000 ( 2844 PWs) bands (ev): -11.3750 -11.3750 -11.3749 -11.3749 1.2142 1.2142 1.2176 1.2176 2.1626 2.1626 2.1665 2.1665 2.7175 2.7175 2.7234 2.7234 5.2021 5.2021 5.2286 5.2286 5.7351 5.7351 5.7600 5.7600 6.0164 6.0164 6.0254 6.0254 6.0950 6.0950 6.1587 6.1587 6.3346 6.3346 6.3396 6.3396 6.5159 6.5159 6.5518 6.5518 6.5808 6.5808 6.6190 6.6190 6.8598 6.8598 6.9069 6.9069 7.1418 7.1418 7.1936 7.1936 7.8556 7.8556 7.8741 7.8741 10.5793 10.5793 10.5995 10.5995 12.2623 12.2623 12.2763 12.2763 15.4435 15.4435 15.4441 15.4441 k = 0.2973 0.5000-0.0000 ( 2848 PWs) bands (ev): -11.3741 -11.3741 -11.3740 -11.3740 1.1938 1.1938 1.1970 1.1970 2.1686 2.1686 2.1723 2.1723 2.7321 2.7321 2.7378 2.7378 5.2190 5.2190 5.2464 5.2464 5.7269 5.7269 5.7529 5.7529 6.0201 6.0201 6.0281 6.0281 6.0958 6.0958 6.1582 6.1582 6.3280 6.3280 6.3329 6.3329 6.5167 6.5167 6.5494 6.5494 6.5805 6.5805 6.6168 6.6168 6.8667 6.8667 6.9162 6.9162 7.1427 7.1427 7.1936 7.1936 7.8459 7.8459 7.8637 7.8637 10.5576 10.5576 10.5781 10.5781 12.2528 12.2528 12.2673 12.2673 15.4154 15.4154 15.4158 15.4158 k = 0.3108 0.5000-0.0000 ( 2852 PWs) bands (ev): -11.3732 -11.3732 -11.3732 -11.3732 1.1745 1.1745 1.1775 1.1775 2.1740 2.1740 2.1774 2.1774 2.7460 2.7460 2.7516 2.7516 5.2361 5.2361 5.2644 5.2644 5.7186 5.7186 5.7457 5.7457 6.0240 6.0240 6.0309 6.0309 6.0975 6.0975 6.1585 6.1585 6.3210 6.3210 6.3259 6.3259 6.5173 6.5173 6.5467 6.5467 6.5794 6.5794 6.6140 6.6140 6.8735 6.8735 6.9245 6.9245 7.1446 7.1446 7.1939 7.1939 7.8367 7.8367 7.8538 7.8538 10.5347 10.5347 10.5553 10.5553 12.2453 12.2453 12.2600 12.2600 15.3881 15.3881 15.3885 15.3885 k = 0.3243 0.5000-0.0000 ( 2852 PWs) bands (ev): -11.3724 -11.3724 -11.3723 -11.3723 1.1564 1.1564 1.1591 1.1591 2.1789 2.1789 2.1820 2.1820 2.7594 2.7594 2.7647 2.7647 5.2534 5.2534 5.2823 5.2823 5.7104 5.7104 5.7383 5.7383 6.0280 6.0280 6.0339 6.0339 6.1000 6.1000 6.1595 6.1595 6.3136 6.3136 6.3188 6.3188 6.5176 6.5176 6.5435 6.5435 6.5776 6.5776 6.6107 6.6107 6.8802 6.8802 6.9316 6.9316 7.1475 7.1475 7.1946 7.1946 7.8280 7.8280 7.8442 7.8442 10.5112 10.5112 10.5316 10.5316 12.2395 12.2395 12.2543 12.2543 15.3620 15.3620 15.3622 15.3622 k = 0.3378 0.5000-0.0000 ( 2858 PWs) bands (ev): -11.3716 -11.3716 -11.3715 -11.3715 1.1395 1.1395 1.1420 1.1420 2.1833 2.1833 2.1862 2.1862 2.7719 2.7719 2.7770 2.7770 5.2706 5.2706 5.3000 5.3000 5.7024 5.7024 5.7308 5.7308 6.0321 6.0321 6.0371 6.0371 6.1033 6.1033 6.1613 6.1613 6.3059 6.3059 6.3116 6.3116 6.5178 6.5178 6.5401 6.5401 6.5751 6.5751 6.6069 6.6069 6.8866 6.8866 6.9375 6.9375 7.1514 7.1514 7.1957 7.1957 7.8198 7.8198 7.8351 7.8351 10.4873 10.4873 10.5074 10.5074 12.2353 12.2353 12.2499 12.2499 15.3371 15.3371 15.3373 15.3373 k = 0.3514 0.5000-0.0000 ( 2846 PWs) bands (ev): -11.3708 -11.3708 -11.3708 -11.3708 1.1238 1.1238 1.1261 1.1261 2.1872 2.1872 2.1899 2.1899 2.7837 2.7837 2.7885 2.7885 5.2878 5.2878 5.3175 5.3175 5.6947 5.6947 5.7234 5.7234 6.0364 6.0364 6.0405 6.0405 6.1074 6.1074 6.1638 6.1638 6.2980 6.2980 6.3045 6.3045 6.5179 6.5179 6.5365 6.5365 6.5721 6.5721 6.6029 6.6029 6.8930 6.8930 6.9423 6.9423 7.1560 7.1560 7.1972 7.1972 7.8123 7.8123 7.8265 7.8265 10.4637 10.4637 10.4831 10.4831 12.2325 12.2325 12.2467 12.2467 15.3137 15.3137 15.3138 15.3138 k = 0.3649 0.5000-0.0000 ( 2846 PWs) bands (ev): -11.3701 -11.3701 -11.3700 -11.3700 1.1093 1.1093 1.1114 1.1114 2.1907 2.1907 2.1931 2.1931 2.7947 2.7947 2.7991 2.7991 5.3047 5.3047 5.3343 5.3343 5.6871 5.6871 5.7158 5.7158 6.0408 6.0408 6.0440 6.0440 6.1120 6.1120 6.1668 6.1668 6.2898 6.2898 6.2974 6.2974 6.5178 6.5178 6.5327 6.5327 6.5686 6.5686 6.5984 6.5984 6.8989 6.8989 6.9459 6.9459 7.1612 7.1612 7.1988 7.1988 7.8054 7.8054 7.8184 7.8184 10.4406 10.4406 10.4591 10.4591 12.2307 12.2307 12.2443 12.2443 15.2918 15.2918 15.2919 15.2919 k = 0.3784 0.5000-0.0000 ( 2850 PWs) bands (ev): -11.3694 -11.3694 -11.3694 -11.3694 1.0962 1.0962 1.0980 1.0980 2.1938 2.1938 2.1960 2.1960 2.8047 2.8047 2.8088 2.8088 5.3211 5.3211 5.3504 5.3504 5.6799 5.6799 5.7083 5.7083 6.0451 6.0451 6.0475 6.0475 6.1170 6.1170 6.1701 6.1701 6.2815 6.2815 6.2904 6.2904 6.5175 6.5175 6.5288 6.5288 6.5649 6.5649 6.5937 6.5937 6.9045 6.9045 6.9484 6.9484 7.1668 7.1668 7.2006 7.2006 7.7991 7.7991 7.8109 7.8109 10.4185 10.4185 10.4359 10.4359 12.2300 12.2300 12.2427 12.2427 15.2716 15.2716 15.2717 15.2717 k = 0.3919 0.5000-0.0000 ( 2846 PWs) bands (ev): -11.3688 -11.3688 -11.3688 -11.3688 1.0843 1.0843 1.0860 1.0860 2.1965 2.1965 2.1985 2.1985 2.8138 2.8138 2.8175 2.8175 5.3370 5.3370 5.3655 5.3655 5.6732 5.6732 5.7008 5.7008 6.0494 6.0494 6.0510 6.0510 6.1226 6.1226 6.1738 6.1738 6.2731 6.2731 6.2835 6.2835 6.5170 6.5170 6.5250 6.5250 6.5613 6.5613 6.5889 6.5889 6.9099 6.9099 6.9501 6.9501 7.1726 7.1726 7.2025 7.2025 7.7935 7.7935 7.8041 7.8041 10.3978 10.3978 10.4138 10.4138 12.2299 12.2299 12.2417 12.2417 15.2533 15.2533 15.2533 15.2533 k = 0.4054 0.5000-0.0000 ( 2848 PWs) bands (ev): -11.3682 -11.3682 -11.3682 -11.3682 1.0739 1.0739 1.0753 1.0753 2.1989 2.1989 2.2006 2.2006 2.8219 2.8219 2.8252 2.8252 5.3522 5.3522 5.3794 5.3794 5.6669 5.6669 5.6933 5.6933 6.0537 6.0537 6.0545 6.0545 6.1283 6.1283 6.1774 6.1774 6.2650 6.2650 6.2769 6.2769 6.5163 6.5163 6.5213 6.5213 6.5579 6.5579 6.5841 6.5841 6.9149 6.9149 6.9509 6.9509 7.1784 7.1784 7.2043 7.2043 7.7885 7.7885 7.7979 7.7979 10.3788 10.3788 10.3933 10.3933 12.2304 12.2304 12.2411 12.2411 15.2368 15.2368 15.2368 15.2368 k = 0.4189 0.5000-0.0000 ( 2856 PWs) bands (ev): -11.3678 -11.3678 -11.3677 -11.3677 1.0647 1.0647 1.0659 1.0659 2.2009 2.2009 2.2024 2.2024 2.8290 2.8290 2.8319 2.8319 5.3663 5.3663 5.3918 5.3918 5.6614 5.6614 5.6860 5.6860 6.0577 6.0577 6.0578 6.0578 6.1343 6.1343 6.1807 6.1807 6.2573 6.2573 6.2706 6.2706 6.5153 6.5153 6.5178 6.5178 6.5551 6.5551 6.5793 6.5793 6.9195 6.9195 6.9510 6.9510 7.1840 7.1840 7.2060 7.2060 7.7842 7.7842 7.7923 7.7923 10.3618 10.3618 10.3746 10.3746 12.2313 12.2313 12.2407 12.2407 15.2224 15.2224 15.2224 15.2224 k = 0.4324 0.5000-0.0000 ( 2848 PWs) bands (ev): -11.3673 -11.3673 -11.3673 -11.3673 1.0570 1.0570 1.0580 1.0580 2.2026 2.2026 2.2039 2.2039 2.8351 2.8351 2.8375 2.8375 5.3795 5.3795 5.4024 5.4024 5.6569 5.6569 5.6789 5.6789 6.0611 6.0611 6.0615 6.0615 6.1406 6.1406 6.1834 6.1834 6.2505 6.2505 6.2647 6.2647 6.5140 6.5140 6.5147 6.5147 6.5531 6.5531 6.5747 6.5747 6.9239 6.9239 6.9505 6.9505 7.1893 7.1893 7.2074 7.2074 7.7807 7.7807 7.7874 7.7874 10.3472 10.3472 10.3581 10.3581 12.2324 12.2324 12.2404 12.2404 15.2100 15.2100 15.2100 15.2100 k = 0.4459 0.5000-0.0000 ( 2848 PWs) bands (ev): -11.3670 -11.3670 -11.3670 -11.3670 1.0507 1.0507 1.0515 1.0515 2.2040 2.2040 2.2050 2.2050 2.8402 2.8402 2.8421 2.8421 5.3913 5.3913 5.4110 5.4110 5.6533 5.6533 5.6723 5.6723 6.0639 6.0639 6.0647 6.0647 6.1470 6.1470 6.1848 6.1848 6.2450 6.2450 6.2592 6.2592 6.5120 6.5120 6.5125 6.5125 6.5520 6.5520 6.5702 6.5702 6.9280 6.9280 6.9495 6.9495 7.1941 7.1941 7.2084 7.2084 7.7780 7.7780 7.7833 7.7833 10.3352 10.3352 10.3440 10.3440 12.2337 12.2337 12.2402 12.2402 15.1998 15.1998 15.1999 15.1999 k = 0.4595 0.5000-0.0000 ( 2848 PWs) bands (ev): -11.3667 -11.3667 -11.3667 -11.3667 1.0457 1.0457 1.0463 1.0463 2.2052 2.2052 2.2059 2.2059 2.8442 2.8442 2.8456 2.8456 5.4016 5.4016 5.4172 5.4172 5.6511 5.6511 5.6661 5.6661 6.0664 6.0664 6.0673 6.0673 6.1535 6.1535 6.1845 6.1845 6.2413 6.2413 6.2541 6.2541 6.5099 6.5099 6.5108 6.5108 6.5518 6.5518 6.5661 6.5661 6.9317 6.9317 6.9480 6.9480 7.1982 7.1982 7.2089 7.2089 7.7760 7.7760 7.7800 7.7800 10.3258 10.3258 10.3326 10.3326 12.2349 12.2349 12.2399 12.2399 15.1918 15.1918 15.1919 15.1919 k = 0.4730 0.5000-0.0000 ( 2848 PWs) bands (ev): -11.3665 -11.3665 -11.3665 -11.3665 1.0423 1.0423 1.0427 1.0427 2.2060 2.2060 2.2065 2.2065 2.8471 2.8471 2.8481 2.8481 5.4100 5.4100 5.4209 5.4209 5.6502 5.6502 5.6607 5.6607 6.0684 6.0684 6.0692 6.0692 6.1601 6.1601 6.1823 6.1823 6.2398 6.2398 6.2495 6.2495 6.5084 6.5084 6.5093 6.5093 6.5525 6.5525 6.5623 6.5623 6.9352 6.9352 6.9461 6.9461 7.2018 7.2018 7.2088 7.2088 7.7747 7.7747 7.7774 7.7774 10.3194 10.3194 10.3240 10.3240 12.2362 12.2362 12.2395 12.2395 15.1861 15.1861 15.1861 15.1861 k = 0.4865 0.5000-0.0000 ( 2848 PWs) bands (ev): -11.3664 -11.3664 -11.3664 -11.3664 1.0402 1.0402 1.0404 1.0404 2.2066 2.2066 2.2068 2.2068 2.8490 2.8490 2.8494 2.8494 5.4164 5.4164 5.4220 5.4220 5.6508 5.6508 5.6562 5.6562 6.0697 6.0697 6.0702 6.0702 6.1666 6.1666 6.1781 6.1781 6.2403 6.2403 6.2455 6.2455 6.5076 6.5076 6.5082 6.5082 6.5540 6.5540 6.5590 6.5590 6.9384 6.9384 6.9439 6.9439 7.2046 7.2046 7.2081 7.2081 7.7742 7.7742 7.7756 7.7756 10.3160 10.3160 10.3183 10.3183 12.2372 12.2372 12.2389 12.2389 15.1827 15.1827 15.1827 15.1827 k = 0.5000 0.5000-0.0000 ( 2832 PWs) bands (ev): -11.3663 -11.3663 -11.3663 -11.3663 1.0396 1.0396 1.0396 1.0396 2.2069 2.2069 2.2069 2.2069 2.8498 2.8498 2.8498 2.8498 5.4206 5.4206 5.4206 5.4206 5.6530 5.6530 5.6530 5.6530 6.0704 6.0704 6.0704 6.0704 6.1728 6.1728 6.1728 6.1728 6.2424 6.2424 6.2424 6.2424 6.5076 6.5076 6.5076 6.5076 6.5563 6.5563 6.5563 6.5563 6.9413 6.9413 6.9413 6.9413 7.2067 7.2067 7.2067 7.2067 7.7746 7.7746 7.7746 7.7746 10.3156 10.3156 10.3156 10.3156 12.2382 12.2382 12.2382 12.2382 15.1815 15.1815 15.1815 15.1815 k = 0.5000 0.5000-0.0000 ( 2832 PWs) bands (ev): -11.3663 -11.3663 -11.3663 -11.3663 1.0396 1.0396 1.0396 1.0396 2.2069 2.2069 2.2069 2.2069 2.8498 2.8498 2.8498 2.8498 5.4206 5.4206 5.4206 5.4206 5.6530 5.6530 5.6530 5.6530 6.0704 6.0704 6.0704 6.0704 6.1728 6.1728 6.1728 6.1728 6.2424 6.2424 6.2424 6.2424 6.5076 6.5076 6.5076 6.5076 6.5563 6.5563 6.5563 6.5563 6.9413 6.9413 6.9413 6.9413 7.2067 7.2067 7.2067 7.2067 7.7746 7.7746 7.7746 7.7746 10.3156 10.3156 10.3156 10.3156 12.2382 12.2382 12.2382 12.2382 15.1815 15.1815 15.1815 15.1815 k = 0.4906 0.4906-0.0000 ( 2848 PWs) bands (ev): -11.3667 -11.3667 -11.3661 -11.3661 1.0397 1.0397 1.0408 1.0408 2.2060 2.2060 2.2074 2.2074 2.8482 2.8482 2.8503 2.8503 5.4159 5.4159 5.4226 5.4226 5.6508 5.6508 5.6562 5.6562 6.0696 6.0696 6.0703 6.0703 6.1667 6.1667 6.1781 6.1781 6.2403 6.2403 6.2455 6.2455 6.5074 6.5074 6.5084 6.5084 6.5540 6.5540 6.5590 6.5590 6.9384 6.9384 6.9439 6.9439 7.2046 7.2046 7.2081 7.2081 7.7741 7.7741 7.7757 7.7757 10.3158 10.3158 10.3183 10.3183 12.2370 12.2370 12.2392 12.2392 15.1826 15.1826 15.1827 15.1827 k = 0.4811 0.4811-0.0000 ( 2848 PWs) bands (ev): -11.3678 -11.3678 -11.3652 -11.3652 1.0402 1.0402 1.0446 1.0446 2.2034 2.2034 2.2091 2.2091 2.8436 2.8436 2.8517 2.8517 5.4064 5.4064 5.4249 5.4249 5.6502 5.6502 5.6605 5.6605 6.0676 6.0676 6.0700 6.0700 6.1602 6.1602 6.1824 6.1824 6.2394 6.2394 6.2497 6.2497 6.5073 6.5073 6.5104 6.5104 6.5525 6.5525 6.5623 6.5623 6.9350 6.9350 6.9463 6.9463 7.2018 7.2018 7.2088 7.2088 7.7736 7.7736 7.7784 7.7784 10.3182 10.3182 10.3248 10.3248 12.2346 12.2346 12.2411 12.2411 15.1858 15.1858 15.1862 15.1862 k = 0.4717 0.4717-0.0000 ( 2848 PWs) bands (ev): -11.3696 -11.3696 -11.3638 -11.3638 1.0409 1.0409 1.0509 1.0509 2.1992 2.1992 2.2119 2.2119 2.8360 2.8360 2.8541 2.8541 5.3917 5.3917 5.4282 5.4282 5.6510 5.6510 5.6654 5.6654 6.0645 6.0645 6.0693 6.0693 6.1535 6.1535 6.1852 6.1852 6.2398 6.2398 6.2550 6.2550 6.5070 6.5070 6.5136 6.5136 6.5516 6.5516 6.5662 6.5662 6.9311 6.9311 6.9489 6.9489 7.1982 7.1982 7.2089 7.2089 7.7730 7.7730 7.7828 7.7828 10.3224 10.3224 10.3351 10.3351 12.2308 12.2308 12.2444 12.2444 15.1912 15.1912 15.1921 15.1921 k = 0.4623 0.4623-0.0000 ( 2848 PWs) bands (ev): -11.3721 -11.3721 -11.3618 -11.3618 1.0419 1.0419 1.0596 1.0596 2.1934 2.1934 2.2158 2.2158 2.8256 2.8256 2.8575 2.8575 5.3722 5.3722 5.4327 5.4327 5.6530 5.6530 5.6705 5.6705 6.0603 6.0603 6.0683 6.0683 6.1467 6.1467 6.1866 6.1866 6.2416 6.2416 6.2613 6.2613 6.5066 6.5066 6.5178 6.5178 6.5513 6.5513 6.5705 6.5705 6.9265 6.9265 6.9516 6.9516 7.1937 7.1937 7.2084 7.2084 7.7722 7.7722 7.7887 7.7887 10.3280 10.3280 10.3494 10.3494 12.2254 12.2254 12.2493 12.2493 15.1987 15.1987 15.2003 15.2003 k = 0.4528 0.4528-0.0000 ( 2840 PWs) bands (ev): -11.3753 -11.3753 -11.3593 -11.3593 1.0432 1.0432 1.0708 1.0708 2.1860 2.1860 2.2208 2.2208 2.8125 2.8125 2.8618 2.8618 5.3485 5.3485 5.4386 5.4386 5.6561 5.6561 5.6756 5.6756 6.0553 6.0553 6.0670 6.0670 6.1399 6.1399 6.1868 6.1868 6.2443 6.2443 6.2686 6.2686 6.5060 6.5060 6.5226 6.5226 6.5520 6.5520 6.5754 6.5754 6.9213 6.9213 6.9546 6.9546 7.1884 7.1884 7.2073 7.2073 7.7714 7.7714 7.7962 7.7962 10.3344 10.3344 10.3675 10.3675 12.2184 12.2184 12.2564 12.2564 15.2082 15.2082 15.2108 15.2108 k = 0.4434 0.4434-0.0000 ( 2848 PWs) bands (ev): -11.3792 -11.3792 -11.3562 -11.3562 1.0448 1.0448 1.0843 1.0843 2.1770 2.1770 2.2264 2.2264 2.7969 2.7969 2.8671 2.8671 5.3210 5.3210 5.4453 5.4453 5.6601 5.6601 5.6803 5.6803 6.0496 6.0496 6.0653 6.0653 6.1331 6.1331 6.1862 6.1862 6.2476 6.2476 6.2768 6.2768 6.5051 6.5051 6.5276 6.5276 6.5535 6.5535 6.5806 6.5806 6.9153 6.9153 6.9580 6.9580 7.1822 7.1822 7.2055 7.2055 7.7703 7.7703 7.8051 7.8051 10.3413 10.3413 10.3893 10.3893 12.2098 12.2098 12.2661 12.2661 15.2199 15.2199 15.2237 15.2237 k = 0.4340 0.4340-0.0000 ( 2848 PWs) bands (ev): -11.3837 -11.3837 -11.3526 -11.3526 1.0466 1.0466 1.1002 1.1002 2.1667 2.1667 2.2328 2.2328 2.7790 2.7790 2.8732 2.8732 5.2905 5.2905 5.4532 5.4532 5.6645 5.6645 5.6846 5.6846 6.0436 6.0436 6.0631 6.0631 6.1264 6.1264 6.1853 6.1853 6.2515 6.2515 6.2858 6.2858 6.5039 6.5039 6.5323 6.5323 6.5564 6.5564 6.5863 6.5863 6.9089 6.9089 6.9618 6.9618 7.1752 7.1752 7.2031 7.2031 7.7692 7.7692 7.8154 7.8154 10.3481 10.3481 10.4146 10.4146 12.1995 12.1995 12.2789 12.2789 15.2335 15.2335 15.2389 15.2389 k = 0.4245 0.4245-0.0000 ( 2856 PWs) bands (ev): -11.3889 -11.3889 -11.3485 -11.3485 1.0487 1.0487 1.1183 1.1183 2.1551 2.1551 2.2397 2.2397 2.7592 2.7592 2.8804 2.8804 5.2573 5.2573 5.4621 5.4621 5.6692 5.6692 5.6889 5.6889 6.0372 6.0372 6.0604 6.0604 6.1196 6.1196 6.1845 6.1845 6.2554 6.2554 6.2955 6.2955 6.5024 6.5024 6.5363 6.5363 6.5607 6.5607 6.5923 6.5923 6.9019 6.9019 6.9661 6.9661 7.1671 7.1671 7.1999 7.1999 7.7682 7.7682 7.8269 7.8269 10.3541 10.3541 10.4431 10.4431 12.1875 12.1875 12.2955 12.2955 15.2492 15.2492 15.2565 15.2565 k = 0.4151 0.4151-0.0000 ( 2856 PWs) bands (ev): -11.3947 -11.3947 -11.3439 -11.3439 1.0510 1.0510 1.1386 1.1386 2.1423 2.1423 2.2467 2.2467 2.7380 2.7380 2.8884 2.8884 5.2219 5.2219 5.4719 5.4719 5.6734 5.6734 5.6936 5.6936 6.0307 6.0307 6.0575 6.0575 6.1128 6.1128 6.1840 6.1840 6.2598 6.2598 6.3056 6.3056 6.5005 6.5005 6.5396 6.5396 6.5662 6.5662 6.5986 6.5986 6.8945 6.8945 6.9710 6.9710 7.1583 7.1583 7.1960 7.1960 7.7672 7.7672 7.8395 7.8395 10.3586 10.3586 10.4746 10.4746 12.1737 12.1737 12.3166 12.3166 15.2667 15.2667 15.2764 15.2764 k = 0.4057 0.4057-0.0000 ( 2866 PWs) bands (ev): -11.4012 -11.4012 -11.3387 -11.3387 1.0535 1.0535 1.1609 1.1609 2.1285 2.1285 2.2535 2.2535 2.7159 2.7159 2.8974 2.8974 5.1843 5.1843 5.4823 5.4823 5.6764 5.6764 5.6993 5.6993 6.0241 6.0241 6.0542 6.0542 6.1062 6.1062 6.1838 6.1838 6.2643 6.2643 6.3159 6.3159 6.4979 6.4979 6.5423 6.5423 6.5726 6.5726 6.6052 6.6052 6.8868 6.8868 6.9763 6.9763 7.1486 7.1486 7.1912 7.1912 7.7665 7.7665 7.8531 7.8531 10.3611 10.3611 10.5087 10.5087 12.1581 12.1581 12.3429 12.3429 15.2861 15.2861 15.2986 15.2986 k = 0.3962 0.3962-0.0000 ( 2860 PWs) bands (ev): -11.4082 -11.4082 -11.3331 -11.3331 1.0563 1.0563 1.1852 1.1852 2.1138 2.1138 2.2594 2.2594 2.6938 2.6938 2.9072 2.9072 5.1452 5.1452 5.4934 5.4934 5.6779 5.6779 5.7063 5.7063 6.0175 6.0175 6.0508 6.0508 6.1000 6.1000 6.1843 6.1843 6.2691 6.2691 6.3265 6.3265 6.4950 6.4950 6.5448 6.5448 6.5797 6.5797 6.6121 6.6121 6.8789 6.8789 6.9822 6.9822 7.1382 7.1382 7.1856 7.1856 7.7661 7.7661 7.8677 7.8677 10.3608 10.3608 10.5451 10.5451 12.1406 12.1406 12.3750 12.3750 15.3073 15.3073 15.3231 15.3231 k = 0.3868 0.3868-0.0000 ( 2868 PWs) bands (ev): -11.4157 -11.4157 -11.3271 -11.3271 1.0592 1.0592 1.2112 1.2112 2.0985 2.0985 2.2637 2.2637 2.6723 2.6723 2.9179 2.9179 5.1046 5.1046 5.5048 5.5048 5.6780 5.6780 5.7143 5.7143 6.0107 6.0107 6.0476 6.0476 6.0942 6.0942 6.1853 6.1853 6.2740 6.2740 6.3371 6.3371 6.4914 6.4914 6.5471 6.5471 6.5869 6.5869 6.6191 6.6191 6.8708 6.8708 6.9887 6.9887 7.1270 7.1270 7.1789 7.1789 7.7661 7.7661 7.8829 7.8829 10.3571 10.3571 10.5834 10.5834 12.1211 12.1211 12.4136 12.4136 15.3302 15.3302 15.3498 15.3498 k = 0.3774 0.3774-0.0000 ( 2864 PWs) bands (ev): -11.4238 -11.4238 -11.3205 -11.3205 1.0623 1.0623 1.2387 1.2387 2.0829 2.0829 2.2654 2.2654 2.6529 2.6529 2.9295 2.9295 5.0629 5.0629 5.5163 5.5163 5.6771 5.6771 5.7231 5.7231 6.0036 6.0036 6.0448 6.0448 6.0892 6.0892 6.1868 6.1868 6.2791 6.2791 6.3477 6.3477 6.4873 6.4873 6.5495 6.5495 6.5941 6.5941 6.6263 6.6263 6.8626 6.8626 6.9957 6.9957 7.1151 7.1151 7.1713 7.1713 7.7665 7.7665 7.8989 7.8989 10.3496 10.3496 10.6229 10.6229 12.0996 12.0996 12.4591 12.4591 15.3546 15.3546 15.3787 15.3787 k = 0.3679 0.3679-0.0000 ( 2868 PWs) bands (ev): -11.4324 -11.4324 -11.3136 -11.3136 1.0656 1.0656 1.2675 1.2675 2.0672 2.0672 2.2634 2.2634 2.6367 2.6367 2.9420 2.9420 5.0201 5.0201 5.5275 5.5275 5.6754 5.6754 5.7323 5.7323 5.9958 5.9958 6.0428 6.0428 6.0851 6.0851 6.1889 6.1889 6.2844 6.2844 6.3581 6.3581 6.4826 6.4826 6.5520 6.5520 6.6012 6.6012 6.6335 6.6335 6.8544 6.8544 7.0033 7.0033 7.1027 7.1027 7.1624 7.1624 7.7675 7.7675 7.9155 7.9155 10.3380 10.3380 10.6633 10.6633 12.0759 12.0759 12.5120 12.5120 15.3801 15.3801 15.4058 15.4058 k = 0.3585 0.3585-0.0000 ( 2860 PWs) bands (ev): -11.4414 -11.4414 -11.3062 -11.3062 1.0690 1.0690 1.2974 1.2974 2.0518 2.0518 2.2566 2.2566 2.6250 2.6250 2.9553 2.9553 4.9766 4.9766 5.5383 5.5383 5.6732 5.6732 5.7418 5.7418 5.9871 5.9871 6.0422 6.0422 6.0822 6.0822 6.1916 6.1916 6.2900 6.2900 6.3684 6.3684 6.4776 6.4776 6.5547 6.5547 6.6081 6.6081 6.6408 6.6408 6.8462 6.8462 7.0114 7.0114 7.0897 7.0897 7.1526 7.1526 7.7692 7.7692 7.9327 7.9327 10.3218 10.3218 10.7039 10.7039 12.0500 12.0500 12.5725 12.5725 15.3219 15.3219 15.4082 15.4082 k = 0.3491 0.3491-0.0000 ( 2858 PWs) bands (ev): -11.4508 -11.4508 -11.2985 -11.2985 1.0726 1.0726 1.3277 1.3277 2.0371 2.0371 2.2440 2.2440 2.6190 2.6190 2.9694 2.9694 4.9325 4.9325 5.5481 5.5481 5.6706 5.6706 5.7513 5.7513 5.9773 5.9773 6.0430 6.0430 6.0808 6.0808 6.1948 6.1948 6.2954 6.2954 6.3783 6.3783 6.4723 6.4723 6.5574 6.5574 6.6147 6.6147 6.6481 6.6481 6.8381 6.8381 7.0197 7.0197 7.0765 7.0765 7.1417 7.1417 7.7716 7.7716 7.9503 7.9503 10.3012 10.3012 10.7440 10.7440 12.0218 12.0218 12.6408 12.6408 15.2179 15.2179 15.4366 15.4366 k = 0.3396 0.3396-0.0000 ( 2852 PWs) bands (ev): -11.4607 -11.4607 -11.2904 -11.2904 1.0762 1.0762 1.3581 1.3581 2.0238 2.0238 2.2253 2.2253 2.6191 2.6191 2.9842 2.9842 4.8880 4.8880 5.5566 5.5566 5.6678 5.6678 5.7606 5.7606 5.9662 5.9662 6.0451 6.0451 6.0811 6.0811 6.1987 6.1987 6.3011 6.3011 6.3877 6.3877 6.4670 6.4670 6.5604 6.5604 6.6210 6.6210 6.6553 6.6553 6.8300 6.8300 7.0278 7.0278 7.0636 7.0636 7.1297 7.1297 7.7748 7.7748 7.9682 7.9682 10.2762 10.2762 10.7830 10.7830 11.9911 11.9911 12.7168 12.7168 15.1188 15.1188 15.4662 15.4662 k = 0.3302 0.3302-0.0000 ( 2844 PWs) bands (ev): -11.4708 -11.4708 -11.2820 -11.2820 1.0799 1.0799 1.3878 1.3878 2.0125 2.0125 2.2009 2.2009 2.6252 2.6252 2.9998 2.9998 4.8433 4.8433 5.5634 5.5634 5.6651 5.6651 5.7696 5.7696 5.9540 5.9540 6.0481 6.0481 6.0840 6.0840 6.2033 6.2033 6.3068 6.3068 6.3964 6.3964 6.4619 6.4619 6.5634 6.5634 6.6270 6.6270 6.6626 6.6626 6.8220 6.8220 7.0322 7.0322 7.0543 7.0543 7.1171 7.1171 7.7788 7.7788 7.9865 7.9865 10.2468 10.2468 10.8201 10.8201 11.9579 11.9579 12.8006 12.8006 15.0259 15.0259 15.4969 15.4969 k = 0.3208 0.3208-0.0000 ( 2856 PWs) bands (ev): -11.4813 -11.4813 -11.2733 -11.2733 1.0837 1.0837 1.4161 1.4161 2.0040 2.0040 2.1714 2.1714 2.6366 2.6366 3.0162 3.0162 4.7983 4.7983 5.5682 5.5682 5.6623 5.6623 5.7780 5.7780 5.9405 5.9405 6.0508 6.0508 6.0900 6.0900 6.2087 6.2087 6.3124 6.3124 6.4038 6.4038 6.4578 6.4578 6.5665 6.5665 6.6325 6.6325 6.6697 6.6697 6.8141 6.8141 7.0253 7.0253 7.0557 7.0557 7.1042 7.1042 7.7835 7.7835 8.0049 8.0049 10.2132 10.2132 10.8544 10.8544 11.9222 11.9222 12.8918 12.8918 14.9403 14.9403 15.5284 15.5284 k = 0.3113 0.3113-0.0000 ( 2856 PWs) bands (ev): -11.4920 -11.4920 -11.2643 -11.2643 1.0875 1.0875 1.4419 1.4419 1.9994 1.9994 2.1378 2.1378 2.6526 2.6526 3.0332 3.0332 4.7535 4.7535 5.5709 5.5709 5.6598 5.6598 5.7858 5.7858 5.9262 5.9262 6.0523 6.0523 6.1002 6.1002 6.2151 6.2151 6.3180 6.3180 6.4091 6.4091 6.4555 6.4555 6.5697 6.5697 6.6377 6.6377 6.6767 6.6767 6.8063 6.8063 7.0118 7.0118 7.0607 7.0607 7.0939 7.0939 7.7893 7.7893 8.0235 8.0235 10.1759 10.1759 10.8852 10.8852 11.8837 11.8837 12.9903 12.9903 14.8627 14.8627 15.5606 15.5606 k = 0.3019 0.3019-0.0000 ( 2860 PWs) bands (ev): -11.5030 -11.5030 -11.2551 -11.2551 1.0913 1.0913 1.4643 1.4643 1.9998 1.9998 2.1010 2.1010 2.6725 2.6725 3.0509 3.0509 4.7087 4.7087 5.5714 5.5714 5.6573 5.6573 5.7928 5.7928 5.9109 5.9109 6.0522 6.0522 6.1144 6.1144 6.2229 6.2229 6.3235 6.3235 6.4117 6.4117 6.4561 6.4561 6.5730 6.5730 6.6426 6.6426 6.6835 6.6835 6.7987 6.7987 6.9967 6.9967 7.0572 7.0572 7.0934 7.0934 7.7960 7.7960 8.0422 8.0422 10.1352 10.1352 10.9116 10.9116 11.8425 11.8425 13.0958 13.0958 14.7941 14.7941 15.5935 15.5935 k = 0.2925 0.2925-0.0000 ( 2856 PWs) bands (ev): -11.5142 -11.5142 -11.2457 -11.2457 1.0952 1.0952 1.4821 1.4821 2.0061 2.0061 2.0619 2.0619 2.6955 2.6955 3.0693 3.0693 4.6643 4.6643 5.5701 5.5701 5.6548 5.6548 5.7990 5.7990 5.8949 5.8949 6.0505 6.0505 6.1323 6.1323 6.2321 6.2321 6.3290 6.3290 6.4113 6.4113 6.4598 6.4598 6.5765 6.5765 6.6471 6.6471 6.6901 6.6901 6.7914 6.7914 6.9810 6.9810 7.0443 7.0443 7.1031 7.1031 7.8036 7.8036 8.0610 8.0610 10.0915 10.0915 10.9328 10.9328 11.7984 11.7984 13.2079 13.2079 14.7351 14.7351 15.6268 15.6268 k = 0.2830 0.2830-0.0000 ( 2852 PWs) bands (ev): -11.5255 -11.5255 -11.2360 -11.2360 1.0990 1.0990 1.4946 1.4946 2.0169 2.0169 2.0234 2.0234 2.7212 2.7212 3.0882 3.0882 4.6203 4.6203 5.5671 5.5671 5.6520 5.6520 5.8041 5.8041 5.8781 5.8781 6.0471 6.0471 6.1531 6.1531 6.2428 6.2428 6.3345 6.3345 6.4091 6.4091 6.4658 6.4658 6.5799 6.5799 6.6512 6.6512 6.6961 6.6961 6.7846 6.7846 6.9651 6.9651 7.0279 7.0279 7.1170 7.1170 7.8122 7.8122 8.0797 8.0797 10.0452 10.0452 10.9481 10.9481 11.7513 11.7513 13.3263 13.3263 14.6866 14.6866 15.6604 15.6604 k = 0.2736 0.2736-0.0000 ( 2848 PWs) bands (ev): -11.5369 -11.5369 -11.2263 -11.2263 1.1028 1.1028 1.5014 1.5014 1.9782 1.9782 2.0403 2.0403 2.7492 2.7492 3.1077 3.1077 4.5768 4.5768 5.5628 5.5628 5.6489 5.6489 5.8080 5.8080 5.8607 5.8607 6.0417 6.0417 6.1766 6.1766 6.2553 6.2553 6.3397 6.3397 6.4063 6.4063 6.4730 6.4730 6.5835 6.5835 6.6551 6.6551 6.7013 6.7013 6.7784 6.7784 6.9489 6.9489 7.0102 7.0102 7.1330 7.1330 7.8217 7.8217 8.0984 8.0984 9.9967 9.9967 10.9567 10.9567 11.7013 11.7013 13.4507 13.4507 14.6491 14.6491 15.6942 15.6942 k = 0.2642 0.2642-0.0000 ( 2856 PWs) bands (ev): -11.5484 -11.5484 -11.2164 -11.2164 1.1066 1.1066 1.5025 1.5025 1.9353 1.9353 2.0678 2.0678 2.7790 2.7790 3.1277 3.1277 4.5337 4.5337 5.5574 5.5574 5.6454 5.6454 5.8107 5.8107 5.8427 5.8427 6.0343 6.0343 6.2020 6.2020 6.2694 6.2694 6.3444 6.3444 6.4035 6.4035 6.4809 6.4809 6.5871 6.5871 6.6587 6.6587 6.7051 6.7051 6.7732 6.7732 6.9324 6.9324 6.9920 6.9920 7.1508 7.1508 7.8323 7.8323 8.1170 8.1170 9.9464 9.9464 10.9582 10.9582 11.6482 11.6482 13.5807 13.5807 14.6230 14.6230 15.7280 15.7280 k = 0.2547 0.2547-0.0000 ( 2848 PWs) bands (ev): -11.5599 -11.5599 -11.2064 -11.2064 1.1103 1.1103 1.4986 1.4986 1.8918 1.8918 2.1020 2.1020 2.8105 2.8105 3.1481 3.1481 4.4914 4.4914 5.5512 5.5512 5.6413 5.6413 5.8117 5.8117 5.8246 5.8246 6.0248 6.0248 6.2289 6.2289 6.2850 6.2850 6.3491 6.3491 6.4014 6.4014 6.4893 6.4893 6.5909 6.5909 6.6624 6.6624 6.7073 6.7073 6.7695 6.7695 6.9161 6.9161 6.9736 6.9736 7.1704 7.1704 7.8438 7.8438 8.1353 8.1353 9.8946 9.8946 10.9522 10.9522 11.5921 11.5921 13.7160 13.7160 14.6087 14.6087 15.7618 15.7618 k = 0.2453 0.2453-0.0000 ( 2848 PWs) bands (ev): -11.5713 -11.5713 -11.1964 -11.1964 1.1140 1.1140 1.4905 1.4905 1.8482 1.8482 2.1419 2.1419 2.8433 2.8433 3.1690 3.1690 4.4498 4.4498 5.5444 5.5444 5.6368 5.6368 5.8037 5.8037 5.8136 5.8136 6.0134 6.0134 6.2565 6.2565 6.3019 6.3019 6.3537 6.3537 6.4003 6.4003 6.4979 6.4979 6.5947 6.5947 6.6657 6.6657 6.7071 6.7071 6.7678 6.7678 6.8997 6.8997 6.9556 6.9556 7.1918 7.1918 7.8563 7.8563 8.1535 8.1535 9.8419 9.8419 10.9385 10.9385 11.5329 11.5329 13.8564 13.8564 14.6062 14.6062 15.7954 15.7954 k = 0.2358 0.2358-0.0000 ( 2860 PWs) bands (ev): -11.5828 -11.5828 -11.1864 -11.1864 1.1176 1.1176 1.4790 1.4790 1.8046 1.8046 2.1866 2.1866 2.8774 2.8774 3.1902 3.1902 4.4088 4.4088 5.5371 5.5371 5.6318 5.6318 5.7846 5.7846 5.8116 5.8116 5.9999 5.9999 6.2838 6.2838 6.3195 6.3195 6.3585 6.3585 6.4005 6.4005 6.5066 6.5066 6.5984 6.5984 6.6688 6.6688 6.7044 6.7044 6.7679 6.7679 6.8832 6.8832 6.9382 6.9382 7.2152 7.2152 7.8699 7.8699 8.1713 8.1713 9.7884 9.7884 10.9172 10.9172 11.4705 11.4705 14.0013 14.0013 14.6153 14.6153 15.8287 15.8287 k = 0.2264 0.2264-0.0000 ( 2852 PWs) bands (ev): -11.5941 -11.5941 -11.1764 -11.1764 1.1210 1.1210 1.4650 1.4650 1.7615 1.7615 2.2354 2.2354 2.9125 2.9125 3.2117 3.2117 4.3687 4.3687 5.5296 5.5296 5.6265 5.6265 5.7648 5.7648 5.8088 5.8088 5.9847 5.9847 6.3096 6.3096 6.3368 6.3368 6.3649 6.3649 6.4025 6.4025 6.5156 6.5156 6.6023 6.6023 6.6721 6.6721 6.6999 6.6999 6.7696 6.7696 6.8670 6.8670 6.9221 6.9221 7.2408 7.2408 7.8845 7.8845 8.1889 8.1889 9.7346 9.7346 10.8884 10.8884 11.4052 11.4052 14.1507 14.1507 14.6359 14.6359 15.8616 15.8616 k = 0.2170 0.2170-0.0000 ( 2853 PWs) bands (ev): -11.6053 -11.6053 -11.1665 -11.1665 1.1244 1.1244 1.4490 1.4490 1.7189 1.7189 2.2874 2.2874 2.9484 2.9484 3.2335 3.2335 4.3295 4.3295 5.5219 5.5219 5.6209 5.6209 5.7445 5.7445 5.8047 5.8047 5.9675 5.9675 6.3315 6.3315 6.3509 6.3509 6.3757 6.3757 6.4070 6.4070 6.5249 6.5249 6.6063 6.6063 6.6754 6.6754 6.6937 6.6937 6.7718 6.7718 6.8509 6.8509 6.9076 6.9076 7.2689 7.2689 7.9002 7.9002 8.2061 8.2061 9.6809 9.6809 10.8525 10.8525 11.3368 11.3368 14.3041 14.3041 14.6674 14.6674 15.8940 15.8940 k = 0.2075 0.2075-0.0000 ( 2849 PWs) bands (ev): -11.6163 -11.6163 -11.1567 -11.1567 1.1277 1.1277 1.4318 1.4318 1.6770 1.6770 2.3422 2.3422 2.9851 2.9851 3.2554 3.2554 4.2911 4.2911 5.5141 5.5141 5.6151 5.6151 5.7240 5.7240 5.7991 5.7991 5.9488 5.9488 6.3462 6.3462 6.3617 6.3617 6.3923 6.3923 6.4156 6.4156 6.5345 6.5345 6.6106 6.6106 6.6787 6.6787 6.6870 6.6870 6.7737 6.7737 6.8353 6.8353 6.8954 6.8954 7.2996 7.2996 7.9170 7.9170 8.2228 8.2228 9.6275 9.6275 10.8101 10.8101 11.2654 11.2654 14.4612 14.4612 14.7091 14.7091 15.9257 15.9258 k = 0.1981 0.1981-0.0000 ( 2849 PWs) bands (ev): -11.6271 -11.6271 -11.1470 -11.1470 1.1308 1.1308 1.4136 1.4136 1.6360 1.6360 2.3990 2.3990 3.0223 3.0223 3.2774 3.2774 4.2538 4.2538 5.5062 5.5062 5.6091 5.6091 5.7034 5.7034 5.7920 5.7920 5.9286 5.9286 6.3530 6.3530 6.3713 6.3713 6.4102 6.4102 6.4296 6.4296 6.5442 6.5442 6.6151 6.6151 6.6773 6.6773 6.6846 6.6846 6.7744 6.7744 6.8203 6.8203 6.8859 6.8859 7.3332 7.3332 7.9349 7.9349 8.2392 8.2392 9.5747 9.5747 10.7617 10.7617 11.1913 11.1913 14.6214 14.6214 14.7606 14.7606 15.9569 15.9569 k = 0.1887 0.1887-0.0000 ( 2861 PWs) bands (ev): -11.6377 -11.6377 -11.1375 -11.1375 1.1338 1.1338 1.3950 1.3950 1.5960 1.5960 2.4576 2.4576 3.0599 3.0599 3.2995 3.2995 4.2172 4.2172 5.4983 5.4983 5.6029 5.6029 5.6825 5.6825 5.7836 5.7836 5.9072 5.9072 6.3564 6.3564 6.3783 6.3783 6.4270 6.4270 6.4479 6.4479 6.5538 6.5538 6.6202 6.6202 6.6697 6.6697 6.6883 6.6883 6.7732 6.7732 6.8062 6.8062 6.8797 6.8797 7.3699 7.3699 7.9540 7.9540 8.2550 8.2550 9.5228 9.5228 10.7080 10.7080 11.1144 11.1144 14.7821 14.7821 14.8234 14.8234 15.9873 15.9873 k = 0.1792 0.1792-0.0000 ( 2867 PWs) bands (ev): -11.6480 -11.6480 -11.1281 -11.1281 1.1366 1.1366 1.3762 1.3762 1.5572 1.5572 2.5175 2.5175 3.0977 3.0977 3.3215 3.3215 4.1815 4.1815 5.4904 5.4904 5.5966 5.5966 5.6617 5.6617 5.7737 5.7737 5.8845 5.8845 6.3585 6.3585 6.3829 6.3829 6.4426 6.4426 6.4673 6.4673 6.5629 6.5629 6.6263 6.6263 6.6617 6.6617 6.6932 6.6932 6.7698 6.7698 6.7937 6.7937 6.8770 6.8770 7.4098 7.4098 7.9742 7.9742 8.2703 8.2703 9.4721 9.4721 10.6499 10.6499 11.0349 11.0349 14.8839 14.8839 14.9554 14.9554 16.0169 16.0169 k = 0.1698 0.1698-0.0000 ( 2875 PWs) bands (ev): -11.6579 -11.6579 -11.1190 -11.1190 1.1393 1.1393 1.3575 1.3575 1.5198 1.5198 2.5784 2.5784 3.1356 3.1356 3.3433 3.3433 4.1468 4.1468 5.4826 5.4826 5.5901 5.5901 5.6411 5.6411 5.7624 5.7624 5.8610 5.8610 6.3600 6.3600 6.3858 6.3858 6.4567 6.4567 6.4861 6.4861 6.5707 6.5707 6.6329 6.6329 6.6544 6.6544 6.6986 6.6986 6.7642 6.7642 6.7830 6.7830 6.8777 6.8777 7.4531 7.4531 7.9956 7.9956 8.2852 8.2852 9.4228 9.4228 10.5880 10.5880 10.9531 10.9531 14.9593 14.9593 15.1229 15.1229 16.0459 16.0459 k = 0.1604 0.1604-0.0000 ( 2867 PWs) bands (ev): -11.6676 -11.6676 -11.1102 -11.1102 1.1419 1.1419 1.3391 1.3391 1.4837 1.4837 2.6400 2.6400 3.1735 3.1735 3.3649 3.3649 4.1129 4.1129 5.4751 5.4751 5.5834 5.5834 5.6211 5.6211 5.7499 5.7499 5.8367 5.8367 6.3614 6.3614 6.3877 6.3877 6.4692 6.4692 6.5035 6.5035 6.5767 6.5767 6.6366 6.6366 6.6518 6.6518 6.7042 6.7042 6.7581 6.7581 6.7741 6.7741 6.8811 6.8811 7.4999 7.4999 8.0182 8.0182 8.2995 8.2995 9.3751 9.3751 10.5231 10.5231 10.8692 10.8692 15.0396 15.0396 15.2933 15.2933 16.0743 16.0743 k = 0.1509 0.1509-0.0000 ( 2879 PWs) bands (ev): -11.6768 -11.6768 -11.1017 -11.1017 1.1443 1.1443 1.3210 1.3210 1.4492 1.4492 2.7021 2.7021 3.2110 3.2110 3.3862 3.3862 4.0799 4.0799 5.4677 5.4677 5.5756 5.5756 5.6021 5.6021 5.7359 5.7359 5.8119 5.8119 6.3623 6.3623 6.3887 6.3887 6.4797 6.4797 6.5190 6.5190 6.5806 6.5806 6.6321 6.6321 6.6589 6.6589 6.7091 6.7091 6.7527 6.7527 6.7666 6.7666 6.8865 6.8865 7.5501 7.5501 8.0419 8.0419 8.3132 8.3132 9.3293 9.3293 10.4558 10.4558 10.7833 10.7833 15.1247 15.1247 15.4647 15.4647 16.1024 16.1024 k = 0.1415 0.1415-0.0000 ( 2871 PWs) bands (ev): -11.6856 -11.6856 -11.0935 -11.0935 1.1466 1.1466 1.3036 1.3036 1.4163 1.4163 2.7643 2.7643 3.2481 3.2481 3.4071 3.4071 4.0477 4.0477 5.4608 5.4608 5.5654 5.5654 5.5863 5.5863 5.7209 5.7209 5.7869 5.7869 6.3632 6.3632 6.3891 6.3891 6.4887 6.4887 6.5325 6.5325 6.5827 6.5827 6.6249 6.6249 6.6700 6.6700 6.7124 6.7124 6.7494 6.7494 6.7612 6.7612 6.8934 6.8934 7.6037 7.6037 8.0668 8.0668 8.3263 8.3263 9.2855 9.2855 10.3870 10.3870 10.6959 10.6959 15.2137 15.2137 15.6360 15.6360 16.1311 16.1311 k = 0.1321 0.1321-0.0000 ( 2871 PWs) bands (ev): -11.6940 -11.6940 -11.0857 -11.0857 1.1488 1.1488 1.2868 1.2868 1.3851 1.3851 2.8265 2.8265 3.2845 3.2845 3.4274 3.4274 4.0162 4.0162 5.4539 5.4539 5.5509 5.5509 5.5753 5.5753 5.7049 5.7049 5.7618 5.7618 6.3640 6.3640 6.3888 6.3888 6.4961 6.4961 6.5437 6.5437 6.5833 6.5833 6.6176 6.6176 6.6819 6.6819 6.7131 6.7131 6.7470 6.7470 6.7600 6.7600 6.9012 6.9012 7.6605 7.6605 8.0927 8.0927 8.3389 8.3389 9.2439 9.2439 10.3172 10.3172 10.6072 10.6072 15.3058 15.3058 15.8043 15.8043 16.1623 16.1623 k = 0.1226 0.1226-0.0000 ( 2871 PWs) bands (ev): -11.7020 -11.7020 -11.0783 -11.0783 1.1507 1.1507 1.2708 1.2708 1.3558 1.3558 2.8883 2.8883 3.3201 3.3201 3.4470 3.4470 3.9854 3.9854 5.4472 5.4472 5.5336 5.5336 5.5677 5.5677 5.6880 5.6880 5.7369 5.7369 6.3647 6.3647 6.3881 6.3881 6.5022 6.5022 6.5526 6.5526 6.5828 6.5828 6.6107 6.6107 6.6932 6.6932 6.7123 6.7123 6.7443 6.7443 6.7636 6.7636 6.9096 6.9096 7.7201 7.7201 8.1196 8.1196 8.3509 8.3509 9.2047 9.2047 10.2472 10.2472 10.5175 10.5175 15.4001 15.4001 15.9619 15.9619 16.2032 16.2032 k = 0.1132 0.1132-0.0000 ( 2873 PWs) bands (ev): -11.7094 -11.7094 -11.0713 -11.0713 1.1526 1.1526 1.2557 1.2557 1.3283 1.3283 2.9495 2.9495 3.3545 3.3545 3.4659 3.4659 3.9550 3.9550 5.4408 5.4408 5.5159 5.5159 5.5614 5.5614 5.6704 5.6704 5.7125 5.7125 6.3653 6.3653 6.3868 6.3868 6.5073 6.5073 6.5591 6.5591 6.5815 6.5815 6.6046 6.6046 6.7019 6.7019 6.7118 6.7118 6.7432 6.7432 6.7699 6.7699 6.9183 6.9183 7.7822 7.7822 8.1473 8.1473 8.3624 8.3624 9.1679 9.1679 10.1775 10.1775 10.4274 10.4274 15.4957 15.4957 16.0850 16.0850 16.2768 16.2768 k = 0.1038 0.1038-0.0000 ( 2875 PWs) bands (ev): -11.7164 -11.7164 -11.0647 -11.0647 1.1542 1.1542 1.2415 1.2415 1.3028 1.3028 3.0099 3.0099 3.3877 3.3877 3.4839 3.4839 3.9251 3.9251 5.4345 5.4345 5.4984 5.4984 5.5556 5.5556 5.6524 5.6524 5.6892 5.6892 6.3658 6.3658 6.3853 6.3853 6.5114 6.5114 6.5635 6.5635 6.5795 6.5795 6.5996 6.5996 6.7049 6.7049 6.7132 6.7132 6.7462 6.7462 6.7769 6.7769 6.9271 6.9271 7.8462 7.8462 8.1755 8.1755 8.3734 8.3734 9.1338 9.1338 10.1089 10.1089 10.3373 10.3373 15.5915 15.5915 16.1508 16.1508 16.4047 16.4047 k = 0.0943 0.0943-0.0000 ( 2879 PWs) bands (ev): -11.7228 -11.7228 -11.0587 -11.0587 1.1557 1.1557 1.2283 1.2283 1.2793 1.2793 3.0693 3.0693 3.4192 3.4192 3.5009 3.5009 3.8954 3.8954 5.4286 5.4286 5.4817 5.4817 5.5500 5.5500 5.6344 5.6344 5.6669 5.6669 6.3662 6.3662 6.3833 6.3833 6.5146 6.5146 6.5659 6.5659 6.5769 6.5769 6.5959 6.5959 6.7046 6.7046 6.7139 6.7139 6.7537 6.7537 6.7840 6.7840 6.9358 6.9358 7.9118 7.9118 8.2040 8.2040 8.3841 8.3841 9.1023 9.1023 10.0420 10.0420 10.2477 10.2477 15.6865 15.6865 16.1852 16.1852 16.4659 16.4659 k = 0.0849 0.0849-0.0000 ( 2879 PWs) bands (ev): -11.7286 -11.7286 -11.0531 -11.0531 1.1570 1.1570 1.2162 1.2162 1.2579 1.2579 3.1274 3.1274 3.4488 3.4488 3.5168 3.5168 3.8660 3.8660 5.4230 5.4230 5.4661 5.4661 5.5443 5.5443 5.6167 5.6167 5.6463 5.6463 6.3665 6.3665 6.3812 6.3812 6.5171 6.5171 6.5668 6.5668 6.5740 6.5740 6.5935 6.5935 6.7039 6.7039 6.7129 6.7129 6.7636 6.7636 6.7907 6.7907 6.9441 6.9441 7.9779 7.9779 8.2323 8.2323 8.3946 8.3946 9.0737 9.0737 9.9774 9.9774 10.1594 10.1594 15.7796 15.7796 16.2084 16.2084 16.4342 16.4342 k = 0.0755 0.0755-0.0000 ( 2879 PWs) bands (ev): -11.7339 -11.7339 -11.0481 -11.0481 1.1581 1.1581 1.2053 1.2053 1.2388 1.2388 3.1841 3.1841 3.4763 3.4763 3.5314 3.5314 3.8364 3.8364 5.4176 5.4176 5.4515 5.4515 5.5383 5.5383 5.6003 5.6003 5.6273 5.6273 6.3668 6.3668 6.3789 6.3789 6.5189 6.5189 6.5667 6.5667 6.5711 6.5711 6.5922 6.5922 6.7034 6.7034 6.7112 6.7112 6.7740 6.7740 6.7967 6.7967 6.9520 6.9520 8.0439 8.0439 8.2599 8.2599 8.4052 8.4052 9.0479 9.0479 9.9159 9.9159 10.0731 10.0731 15.8695 15.8695 16.2266 16.2266 16.4045 16.4045 k = 0.0660 0.0660-0.0000 ( 2879 PWs) bands (ev): -11.7386 -11.7386 -11.0436 -11.0436 1.1590 1.1590 1.1954 1.1954 1.2219 1.2219 3.2390 3.2390 3.5014 3.5014 3.5446 3.5446 3.8065 3.8065 5.4125 5.4125 5.4382 5.4382 5.5317 5.5317 5.5858 5.5858 5.6101 5.6101 6.3670 6.3670 6.3767 6.3767 6.5201 6.5201 6.5660 6.5660 6.5684 6.5684 6.5915 6.5915 6.7031 6.7031 6.7094 6.7094 6.7840 6.7840 6.8021 6.8021 6.9593 6.9593 8.1085 8.1085 8.2859 8.2859 8.4162 8.4162 9.0250 9.0250 9.8584 9.8584 9.9900 9.9900 15.9548 15.9548 16.2415 16.2415 16.3777 16.3777 k = 0.0566 0.0566-0.0000 ( 2881 PWs) bands (ev): -11.7427 -11.7427 -11.0397 -11.0397 1.1597 1.1597 1.1867 1.1867 1.2074 1.2074 3.2921 3.2921 3.5238 3.5238 3.5564 3.5564 3.7762 3.7762 5.4078 5.4078 5.4263 5.4263 5.5242 5.5242 5.5740 5.5740 5.5948 5.5948 6.3671 6.3671 6.3745 6.3745 6.5207 6.5207 6.5650 6.5650 6.5661 6.5661 6.5911 6.5911 6.7030 6.7030 6.7078 6.7078 6.7931 6.7931 6.8068 6.8068 6.9658 6.9658 8.1702 8.1702 8.3096 8.3096 8.4281 8.4281 9.0051 9.0051 9.8055 9.8055 9.9111 9.9111 16.0341 16.0341 16.2539 16.2539 16.3541 16.3541 k = 0.0472 0.0472-0.0000 ( 2877 PWs) bands (ev): -11.7462 -11.7462 -11.0363 -11.0363 1.1601 1.1601 1.1790 1.1790 1.1955 1.1955 3.3432 3.3432 3.5432 3.5432 3.5666 3.5666 3.7452 3.7452 5.4035 5.4035 5.4161 5.4161 5.5162 5.5162 5.5652 5.5652 5.5815 5.5815 6.3673 6.3673 6.3725 6.3725 6.5209 6.5209 6.5639 6.5639 6.5644 6.5644 6.5908 6.5908 6.7030 6.7030 6.7064 6.7064 6.8011 6.8011 6.8108 6.8108 6.9715 6.9715 8.2273 8.2273 8.3299 8.3299 8.4415 8.4415 8.9883 8.9883 9.7584 9.7584 9.8382 9.8382 16.1056 16.1056 16.2642 16.2642 16.3341 16.3341 k = 0.0377 0.0377-0.0000 ( 2885 PWs) bands (ev): -11.7491 -11.7491 -11.0335 -11.0335 1.1602 1.1602 1.1724 1.1724 1.1863 1.1863 3.3921 3.3921 3.5594 3.5594 3.5752 3.5752 3.7133 3.7133 5.3996 5.3996 5.4075 5.4075 5.5083 5.5083 5.5589 5.5589 5.5703 5.5703 6.3673 6.3673 6.3708 6.3708 6.5208 6.5208 6.5629 6.5629 6.5631 6.5631 6.5904 6.5904 6.7030 6.7030 6.7052 6.7052 6.8076 6.8076 6.8139 6.8139 6.9762 6.9762 8.2775 8.2775 8.3462 8.3462 8.4563 8.4563 8.9744 8.9744 9.7179 9.7179 9.7731 9.7731 16.1674 16.1674 16.2723 16.2723 16.3178 16.3178 k = 0.0283 0.0283-0.0000 ( 2881 PWs) bands (ev): -11.7513 -11.7513 -11.0314 -11.0314 1.1600 1.1600 1.1668 1.1668 1.1798 1.1798 3.4386 3.4386 3.5719 3.5719 3.5822 3.5822 3.6804 3.6804 5.3963 5.3963 5.4008 5.4008 5.5014 5.5014 5.5546 5.5546 5.5615 5.5615 6.3674 6.3674 6.3694 6.3694 6.5206 6.5206 6.5620 6.5620 6.5622 6.5622 6.5902 6.5902 6.7031 6.7031 6.7044 6.7044 6.8129 6.8129 6.8164 6.8164 6.9800 6.9800 8.3185 8.3185 8.3582 8.3582 8.4720 8.4720 8.9637 8.9637 9.6850 9.6850 9.7183 9.7183 16.2177 16.2177 16.2786 16.2786 16.3055 16.3055 k = 0.0189 0.0189-0.0000 ( 2897 PWs) bands (ev): -11.7529 -11.7529 -11.0298 -11.0298 1.1594 1.1594 1.1624 1.1624 1.1758 1.1758 3.4825 3.4825 3.5805 3.5805 3.5877 3.5877 3.6465 3.6465 5.3938 5.3938 5.3957 5.3957 5.4960 5.4960 5.5519 5.5519 5.5551 5.5551 6.3674 6.3674 6.3683 6.3683 6.5202 6.5202 6.5614 6.5614 6.5615 6.5615 6.5900 6.5900 6.7031 6.7031 6.7036 6.7036 6.8165 6.8165 6.8181 6.8181 6.9826 6.9826 8.3484 8.3484 8.3662 8.3662 8.4866 8.4866 8.9559 8.9559 9.6607 9.6607 9.6763 9.6763 16.2541 16.2541 16.2832 16.2832 16.2974 16.2974 k = 0.0094 0.0094-0.0000 ( 2897 PWs) bands (ev): -11.7539 -11.7539 -11.0289 -11.0289 1.1589 1.1589 1.1597 1.1597 1.1738 1.1738 3.5225 3.5225 3.5850 3.5850 3.5915 3.5915 3.6128 3.6128 5.3922 5.3922 5.3927 5.3927 5.4927 5.4927 5.5504 5.5504 5.5512 5.5512 6.3674 6.3674 6.3676 6.3676 6.5200 6.5200 6.5611 6.5611 6.5611 6.5611 6.5899 6.5899 6.7031 6.7031 6.7033 6.7033 6.8187 6.8187 6.8191 6.8191 6.9843 6.9843 8.3663 8.3663 8.3708 8.3708 8.4973 8.4973 8.9513 8.9513 9.6458 9.6458 9.6498 9.6498 16.2727 16.2727 16.2886 16.2886 16.2937 16.2937 k = 0.0000 0.0000 0.0000 ( 2897 PWs) bands (ev): -11.7542 -11.7542 -11.0286 -11.0286 1.1587 1.1587 1.1587 1.1587 1.1732 1.1732 3.5471 3.5471 3.5837 3.5837 3.5929 3.5929 3.5929 3.5929 5.3917 5.3917 5.3917 5.3917 5.4915 5.4915 5.5499 5.5499 5.5499 5.5499 6.3674 6.3674 6.3674 6.3674 6.5199 6.5199 6.5610 6.5610 6.5610 6.5610 6.5899 6.5899 6.7032 6.7032 6.7032 6.7032 6.8195 6.8195 6.8195 6.8195 6.9849 6.9849 8.3723 8.3723 8.3723 8.3723 8.5013 8.5013 8.9497 8.9497 9.6407 9.6407 9.6407 9.6407 16.2760 16.2760 16.2930 16.2930 16.2930 16.2930 k = 0.0000 0.0000 0.0000 ( 2897 PWs) bands (ev): -11.7542 -11.7542 -11.0286 -11.0286 1.1587 1.1587 1.1587 1.1587 1.1732 1.1732 3.5471 3.5471 3.5837 3.5837 3.5929 3.5929 3.5929 3.5929 5.3917 5.3917 5.3917 5.3917 5.4915 5.4915 5.5499 5.5499 5.5499 5.5499 6.3674 6.3674 6.3674 6.3674 6.5199 6.5199 6.5610 6.5610 6.5610 6.5610 6.5899 6.5899 6.7032 6.7032 6.7032 6.7032 6.8195 6.8195 6.8195 6.8195 6.9849 6.9849 8.3723 8.3723 8.3723 8.3723 8.5013 8.5013 8.9497 8.9497 9.6407 9.6407 9.6407 9.6407 16.2760 16.2760 16.2930 16.2930 16.2930 16.2930 k = 0.0078 0.0078 0.0078 ( 2897 PWs) bands (ev): -11.7539 -11.7539 -11.0289 -11.0289 1.1589 1.1589 1.1597 1.1597 1.1738 1.1738 3.5219 3.5219 3.5851 3.5851 3.5916 3.5916 3.6130 3.6130 5.3924 5.3924 5.3926 5.3926 5.4927 5.4927 5.5504 5.5504 5.5512 5.5512 6.3674 6.3674 6.3676 6.3676 6.5200 6.5200 6.5611 6.5611 6.5611 6.5611 6.5899 6.5899 6.7031 6.7031 6.7033 6.7033 6.8189 6.8189 6.8190 6.8190 6.9843 6.9843 8.3667 8.3667 8.3702 8.3702 8.4972 8.4972 8.9513 8.9513 9.6479 9.6479 9.6481 9.6481 16.2722 16.2722 16.2887 16.2887 16.2939 16.2939 k = 0.0156 0.0156 0.0156 ( 2891 PWs) bands (ev): -11.7529 -11.7529 -11.0299 -11.0299 1.1594 1.1594 1.1624 1.1624 1.1760 1.1760 3.4807 3.4807 3.5815 3.5815 3.5877 3.5877 3.6467 3.6467 5.3946 5.3946 5.3952 5.3952 5.4962 5.4962 5.5520 5.5520 5.5552 5.5552 6.3673 6.3673 6.3684 6.3684 6.5202 6.5202 6.5614 6.5614 6.5616 6.5616 6.5900 6.5900 6.7031 6.7031 6.7037 6.7037 6.8171 6.8171 6.8174 6.8174 6.9826 6.9826 8.3504 8.3504 8.3638 8.3638 8.4858 8.4858 8.9561 8.9561 9.6690 9.6690 9.6698 9.6698 16.2499 16.2499 16.2872 16.2872 16.2968 16.2968 k = 0.0234 0.0234 0.0234 ( 2891 PWs) bands (ev): -11.7512 -11.7512 -11.0315 -11.0315 1.1603 1.1603 1.1657 1.1657 1.1809 1.1809 3.4353 3.4353 3.5750 3.5750 3.5812 3.5812 3.6803 3.6803 5.3979 5.3979 5.3993 5.3993 5.5018 5.5018 5.5546 5.5546 5.5619 5.5619 6.3672 6.3672 6.3696 6.3696 6.5206 6.5206 6.5619 6.5619 6.5623 6.5623 6.5902 6.5902 6.7030 6.7030 6.7043 6.7043 6.8141 6.8141 6.8148 6.8148 6.9798 6.9798 8.3245 8.3245 8.3516 8.3516 8.4694 8.4694 8.9640 8.9640 9.7027 9.7027 9.7044 9.7044 16.2075 16.2075 16.2909 16.2909 16.3017 16.3017 k = 0.0312 0.0312 0.0312 ( 2891 PWs) bands (ev): -11.7490 -11.7490 -11.0337 -11.0337 1.1615 1.1615 1.1687 1.1687 1.1894 1.1894 3.3868 3.3868 3.5660 3.5660 3.5723 3.5723 3.7127 3.7127 5.4023 5.4023 5.4049 5.4049 5.5095 5.5095 5.5583 5.5583 5.5712 5.5712 6.3670 6.3670 6.3712 6.3712 6.5209 6.5209 6.5626 6.5626 6.5634 6.5634 6.5905 6.5905 6.7029 6.7029 6.7053 6.7053 6.8098 6.8098 6.8111 6.8111 6.9758 6.9758 8.2906 8.2906 8.3322 8.3322 8.4516 8.4516 8.9751 8.9751 9.7477 9.7477 9.7503 9.7503 16.1493 16.1493 16.2973 16.2973 16.3085 16.3085 k = 0.0391 0.0391 0.0391 ( 2879 PWs) bands (ev): -11.7460 -11.7460 -11.0365 -11.0365 1.1631 1.1631 1.1712 1.1712 1.2014 1.2014 3.3356 3.3356 3.5545 3.5545 3.5609 3.5609 3.7441 3.7441 5.4077 5.4077 5.4120 5.4120 5.5192 5.5192 5.5632 5.5632 5.5831 5.5831 6.3667 6.3667 6.3732 6.3732 6.5213 6.5213 6.5634 6.5634 6.5649 6.5649 6.5909 6.5909 6.7027 6.7027 6.7065 6.7065 6.8044 6.8044 6.8065 6.8065 6.9708 6.9708 8.2505 8.2505 8.3046 8.3046 8.4352 8.4352 8.9894 8.9894 9.8019 9.8019 9.8055 9.8055 16.0775 16.0775 16.3056 16.3056 16.3172 16.3172 k = 0.0469 0.0469 0.0469 ( 2873 PWs) bands (ev): -11.7424 -11.7424 -11.0399 -11.0399 1.1650 1.1650 1.1737 1.1737 1.2167 1.2167 3.2818 3.2818 3.5408 3.5408 3.5473 3.5473 3.7745 3.7745 5.4137 5.4137 5.4202 5.4202 5.5307 5.5307 5.5693 5.5693 5.5973 5.5973 6.3663 6.3663 6.3755 6.3755 6.5215 6.5215 6.5643 6.5643 6.5669 6.5669 6.5914 6.5914 6.7025 6.7025 6.7078 6.7078 6.7979 6.7979 6.8008 6.8008 6.9647 6.9647 8.2059 8.2059 8.2694 8.2694 8.4211 8.4211 9.0068 9.0068 9.8638 9.8638 9.8682 9.8682 15.9942 15.9942 16.3158 16.3158 16.3277 16.3277 k = 0.0547 0.0547 0.0547 ( 2870 PWs) bands (ev): -11.7382 -11.7382 -11.0439 -11.0439 1.1673 1.1673 1.1763 1.1763 1.2350 1.2350 3.2256 3.2256 3.5249 3.5249 3.5315 3.5315 3.8042 3.8042 5.4199 5.4199 5.4292 5.4292 5.5440 5.5440 5.5767 5.5767 5.6136 5.6136 6.3657 6.3657 6.3780 6.3780 6.5214 6.5214 6.5651 6.5651 6.5695 6.5695 6.5920 6.5920 6.7023 6.7023 6.7094 6.7094 6.7902 6.7902 6.7940 6.7940 6.9574 6.9574 8.1582 8.1582 8.2287 8.2287 8.4090 8.4090 9.0272 9.0272 9.9318 9.9318 9.9369 9.9369 15.9010 15.9010 16.3273 16.3273 16.3397 16.3397 k = 0.0625 0.0625 0.0625 ( 2870 PWs) bands (ev): -11.7334 -11.7334 -11.0485 -11.0485 1.1698 1.1698 1.1791 1.1791 1.2559 1.2559 3.1673 3.1673 3.5071 3.5071 3.5138 3.5138 3.8336 3.8336 5.4264 5.4264 5.4389 5.4389 5.5589 5.5589 5.5855 5.5855 5.6314 5.6314 6.3649 6.3649 6.3807 6.3807 6.5210 6.5210 6.5657 6.5657 6.5724 6.5724 6.5929 6.5929 6.7022 6.7022 6.7111 6.7111 6.7816 6.7816 6.7862 6.7862 6.9492 6.9492 8.1087 8.1087 8.1848 8.1848 8.3978 8.3978 9.0508 9.0508 10.0045 10.0045 10.0102 10.0102 15.7998 15.7998 16.3397 16.3397 16.3529 16.3529 k = 0.0703 0.0703 0.0703 ( 2876 PWs) bands (ev): -11.7280 -11.7280 -11.0536 -11.0536 1.1727 1.1727 1.1822 1.1822 1.2796 1.2796 3.1071 3.1071 3.4874 3.4874 3.4943 3.4943 3.8627 3.8627 5.4328 5.4328 5.4489 5.4489 5.5755 5.5755 5.5957 5.5957 5.6504 5.6504 6.3639 6.3639 6.3834 6.3834 6.5201 6.5201 6.5660 6.5660 6.5757 6.5757 6.5943 6.5943 6.7021 6.7021 6.7128 6.7128 6.7725 6.7725 6.7775 6.7775 6.9401 6.9401 8.0585 8.0585 8.1392 8.1392 8.3869 8.3869 9.0773 9.0773 10.0809 10.0809 10.0869 10.0869 15.6919 15.6919 16.3513 16.3513 16.3659 16.3659 k = 0.0781 0.0781 0.0781 ( 2861 PWs) bands (ev): -11.7220 -11.7220 -11.0593 -11.0593 1.1759 1.1759 1.1855 1.1855 1.3057 1.3057 3.0454 3.0454 3.4661 3.4661 3.4732 3.4732 3.8920 3.8920 5.4394 5.4394 5.4592 5.4592 5.5936 5.5936 5.6076 5.6076 5.6701 5.6701 6.3627 6.3627 6.3860 6.3860 6.5188 6.5188 6.5658 6.5658 6.5791 6.5791 6.5965 6.5965 6.7023 6.7023 6.7141 6.7141 6.7635 6.7635 6.7681 6.7681 6.9303 6.9303 8.0086 8.0086 8.0934 8.0934 8.3759 8.3759 9.1068 9.1068 10.1600 10.1600 10.1662 10.1662 15.5785 15.5785 16.3582 16.3582 16.3756 16.3756 k = 0.0859 0.0859 0.0859 ( 2860 PWs) bands (ev): -11.7155 -11.7155 -11.0654 -11.0654 1.1794 1.1794 1.1891 1.1891 1.3343 1.3343 2.9823 2.9823 3.4434 3.4434 3.4506 3.4506 3.9215 3.9215 5.4459 5.4459 5.4694 5.4694 5.6131 5.6131 5.6208 5.6208 5.6900 5.6900 6.3612 6.3612 6.3883 6.3883 6.5167 6.5167 6.5646 6.5646 6.5819 6.5819 6.5999 6.5999 6.7027 6.7027 6.7143 6.7143 6.7554 6.7554 6.7578 6.7578 6.9198 6.9198 7.9594 7.9594 8.0482 8.0482 8.3645 8.3645 9.1392 9.1392 10.2410 10.2410 10.2473 10.2473 15.4608 15.4608 16.3482 16.3482 16.3722 16.3722 k = 0.0938 0.0937 0.0937 ( 2854 PWs) bands (ev): -11.7084 -11.7084 -11.0719 -11.0719 1.1831 1.1831 1.1930 1.1930 1.3653 1.3653 2.9182 2.9182 3.4193 3.4193 3.4267 3.4267 3.9515 3.9515 5.4523 5.4523 5.4794 5.4794 5.6339 5.6339 5.6355 5.6355 5.7100 5.7100 6.3595 6.3595 6.3903 6.3903 6.5138 6.5138 6.5622 6.5622 6.5838 6.5838 6.6046 6.6046 6.7035 6.7035 6.7119 6.7119 6.7471 6.7471 6.7501 6.7501 6.9087 6.9087 7.9117 7.9117 8.0043 8.0043 8.3525 8.3525 9.1744 9.1744 10.3232 10.3232 10.3295 10.3295 15.3397 15.3397 16.2960 16.2960 16.3312 16.3312 k = 0.1016 0.1016 0.1016 ( 2854 PWs) bands (ev): -11.7009 -11.7009 -11.0789 -11.0789 1.1870 1.1870 1.1970 1.1970 1.3983 1.3983 2.8533 2.8533 3.3942 3.3942 3.4017 3.4017 3.9821 3.9821 5.4586 5.4586 5.4891 5.4891 5.6514 5.6514 5.6557 5.6557 5.7294 5.7294 6.3574 6.3574 6.3917 6.3917 6.5098 6.5098 6.5579 6.5579 6.5848 6.5848 6.6104 6.6104 6.7048 6.7048 6.7063 6.7063 6.7363 6.7363 6.7487 6.7487 6.8972 6.8972 7.8658 7.8658 7.9621 7.9621 8.3399 8.3399 9.2123 9.2123 10.4060 10.4060 10.4121 10.4121 15.2158 15.2158 16.1934 16.1934 16.2353 16.2353 k = 0.1094 0.1094 0.1094 ( 2860 PWs) bands (ev): -11.6929 -11.6929 -11.0863 -11.0863 1.1912 1.1912 1.2013 1.2013 1.4332 1.4332 2.7880 2.7880 3.3681 3.3681 3.3757 3.3757 4.0133 4.0133 5.4649 5.4649 5.4984 5.4984 5.6686 5.6686 5.6784 5.6784 5.7482 5.7482 6.3550 6.3550 6.3924 6.3924 6.5044 6.5044 6.5511 6.5511 6.5851 6.5851 6.6168 6.6168 6.6986 6.6986 6.7065 6.7065 6.7259 6.7259 6.7508 6.7508 6.8856 6.8856 7.8222 7.8222 7.9222 7.9222 8.3265 8.3265 9.2529 9.2529 10.4889 10.4889 10.4948 10.4948 15.0900 15.0900 16.0641 16.0641 16.1073 16.1073 k = 0.1172 0.1172 0.1172 ( 2854 PWs) bands (ev): -11.6845 -11.6845 -11.0940 -11.0940 1.1957 1.1957 1.2059 1.2059 1.4701 1.4701 2.7225 2.7225 3.3413 3.3413 3.3490 3.3490 4.0454 4.0454 5.4711 5.4711 5.5074 5.5074 5.6868 5.6868 5.7019 5.7019 5.7661 5.7661 6.3524 6.3524 6.3925 6.3925 6.4974 6.4974 6.5415 6.5415 6.5847 6.5847 6.6233 6.6233 6.6908 6.6908 6.7072 6.7072 6.7182 6.7182 6.7550 6.7550 6.8741 6.8741 7.7811 7.7811 7.8847 7.8847 8.3125 8.3125 9.2959 9.2959 10.5713 10.5713 10.5769 10.5769 14.9629 14.9629 15.9248 15.9248 15.9673 15.9673 k = 0.1250 0.1250 0.1250 ( 2854 PWs) bands (ev): -11.6756 -11.6756 -11.1020 -11.1020 1.2002 1.2002 1.2105 1.2105 1.5086 1.5086 2.6572 2.6572 3.3138 3.3138 3.3216 3.3216 4.0783 4.0783 5.4772 5.4772 5.5159 5.5159 5.7059 5.7059 5.7259 5.7259 5.7831 5.7831 6.3495 6.3495 6.3918 6.3918 6.4883 6.4883 6.5285 6.5285 6.5837 6.5837 6.6293 6.6293 6.6838 6.6838 6.7022 6.7022 6.7188 6.7188 6.7607 6.7607 6.8628 6.8628 7.7427 7.7427 7.8497 7.8497 8.2975 8.2975 9.3414 9.3414 10.6529 10.6529 10.6581 10.6581 14.8348 14.8348 15.7819 15.7819 15.8233 15.8233 k = 0.1328 0.1328 0.1328 ( 2854 PWs) bands (ev): -11.6665 -11.6665 -11.1103 -11.1103 1.2050 1.2050 1.2154 1.2154 1.5485 1.5485 2.5922 2.5922 3.2859 3.2859 3.2938 3.2938 4.1121 4.1121 5.4832 5.4832 5.5240 5.5240 5.7255 5.7255 5.7504 5.7504 5.7991 5.7991 6.3463 6.3463 6.3902 6.3902 6.4769 6.4769 6.5122 6.5122 6.5821 6.5821 6.6343 6.6343 6.6782 6.6782 6.6953 6.6953 6.7247 6.7247 6.7672 6.7672 6.8518 6.8518 7.7071 7.7071 7.8175 7.8175 8.2818 8.2818 9.3891 9.3891 10.7332 10.7332 10.7379 10.7379 14.7064 14.7064 15.6381 15.6381 15.6781 15.6781 k = 0.1406 0.1406 0.1406 ( 2860 PWs) bands (ev): -11.6570 -11.6570 -11.1187 -11.1187 1.2099 1.2099 1.2204 1.2204 1.5895 1.5895 2.5280 2.5280 3.2576 3.2576 3.2656 3.2656 4.1468 4.1468 5.4890 5.4890 5.5317 5.5317 5.7454 5.7454 5.7750 5.7750 5.8141 5.8141 6.3429 6.3429 6.3877 6.3877 6.4631 6.4631 6.4929 6.4929 6.5796 6.5796 6.6378 6.6378 6.6742 6.6742 6.6898 6.6898 6.7330 6.7330 6.7743 6.7743 6.8415 6.8415 7.6744 7.6744 7.7880 7.7880 8.2654 8.2654 9.4389 9.4389 10.8118 10.8118 10.8160 10.8160 14.5782 14.5782 15.4947 15.4947 15.5335 15.5335 k = 0.1484 0.1484 0.1484 ( 2848 PWs) bands (ev): -11.6472 -11.6472 -11.1273 -11.1273 1.2149 1.2149 1.2255 1.2255 1.6314 1.6314 2.4649 2.4649 3.2292 3.2292 3.2372 3.2372 4.1826 4.1826 5.4947 5.4947 5.5390 5.5390 5.7658 5.7658 5.7999 5.7999 5.8284 5.8284 6.3393 6.3393 6.3840 6.3840 6.4471 6.4471 6.4711 6.4711 6.5765 6.5765 6.6396 6.6396 6.6716 6.6716 6.6865 6.6865 6.7432 6.7432 6.7820 6.7820 6.8320 6.8320 7.6447 7.6447 7.7612 7.7612 8.2481 8.2481 9.4907 9.4907 10.8884 10.8884 10.8919 10.8919 14.4504 14.4504 15.3528 15.3528 15.3902 15.3902 k = 0.1562 0.1562 0.1562 ( 2848 PWs) bands (ev): -11.6373 -11.6373 -11.1360 -11.1360 1.2200 1.2200 1.2307 1.2307 1.6738 1.6738 2.4033 2.4033 3.2007 3.2007 3.2088 3.2088 4.2192 4.2192 5.5001 5.5001 5.5458 5.5458 5.7861 5.7861 5.8242 5.8242 5.8421 5.8421 6.3353 6.3353 6.3790 6.3790 6.4294 6.4294 6.4475 6.4475 6.5725 6.5725 6.6398 6.6398 6.6701 6.6701 6.6854 6.6854 6.7549 6.7549 6.7899 6.7899 6.8235 6.8235 7.6180 7.6180 7.7371 7.7371 8.2300 8.2300 9.5442 9.5442 10.9626 10.9626 10.9654 10.9654 14.3236 14.3236 15.2129 15.2129 15.2490 15.2490 k = 0.1641 0.1641 0.1641 ( 2848 PWs) bands (ev): -11.6272 -11.6272 -11.1448 -11.1448 1.2251 1.2251 1.2359 1.2359 1.7161 1.7161 2.3437 2.3437 3.1723 3.1723 3.1804 3.1804 4.2567 4.2567 5.5051 5.5051 5.5521 5.5521 5.8061 5.8061 5.8459 5.8459 5.8574 5.8574 6.3308 6.3308 6.3717 6.3717 6.4114 6.4114 6.4228 6.4228 6.5677 6.5677 6.6389 6.6389 6.6693 6.6693 6.6860 6.6860 6.7673 6.7673 6.7980 6.7980 6.8166 6.8166 7.5941 7.5941 7.7156 7.7156 8.2111 8.2111 9.5994 9.5994 11.0341 11.0341 11.0361 11.0361 14.1981 14.1981 15.0754 15.0754 15.1102 15.1102 k = 0.1719 0.1719 0.1719 ( 2848 PWs) bands (ev): -11.6170 -11.6170 -11.1535 -11.1535 1.2302 1.2302 1.2412 1.2412 1.7575 1.7575 2.2869 2.2869 3.1441 3.1441 3.1522 3.1522 4.2950 4.2950 5.5098 5.5098 5.5578 5.5578 5.8259 5.8259 5.8610 5.8610 5.8784 5.8784 6.3256 6.3256 6.3604 6.3604 6.3953 6.3953 6.3980 6.3980 6.5619 6.5619 6.6375 6.6375 6.6692 6.6692 6.6877 6.6877 6.7792 6.7792 6.8059 6.8059 6.8122 6.8122 7.5732 7.5732 7.6966 7.6966 8.1914 8.1914 9.6560 9.6560 11.1025 11.1025 11.1037 11.1037 14.0741 14.0741 14.9408 14.9408 14.9743 14.9743 k = 0.1797 0.1797 0.1797 ( 2848 PWs) bands (ev): -11.6068 -11.6068 -11.1621 -11.1621 1.2354 1.2354 1.2464 1.2464 1.7967 1.7967 2.2343 2.2343 3.1161 3.1161 3.1243 3.1243 4.3341 4.3341 5.5140 5.5140 5.5628 5.5628 5.8450 5.8450 5.8726 5.8726 5.9020 5.9020 6.3185 6.3185 6.3437 6.3437 6.3748 6.3748 6.3831 6.3831 6.5551 6.5551 6.6361 6.6361 6.6696 6.6696 6.6900 6.6900 6.7867 6.7867 6.8136 6.8136 6.8141 6.8141 7.5549 7.5549 7.6800 7.6800 8.1710 8.1710 9.7139 9.7139 11.1676 11.1676 11.1679 11.1679 13.9522 13.9522 14.8095 14.8095 14.8417 14.8417 k = 0.1875 0.1875 0.1875 ( 2848 PWs) bands (ev): -11.5966 -11.5966 -11.1705 -11.1705 1.2405 1.2405 1.2516 1.2516 1.8312 1.8312 2.1881 2.1881 3.0886 3.0886 3.0967 3.0967 4.3739 4.3739 5.5176 5.5176 5.5670 5.5670 5.8634 5.8634 5.8830 5.8830 5.9258 5.9258 6.3076 6.3076 6.3230 6.3230 6.3557 6.3557 6.3742 6.3742 6.5473 6.5473 6.6349 6.6349 6.6703 6.6703 6.6924 6.6924 6.7873 6.7873 6.8210 6.8210 6.8244 6.8244 7.5394 7.5394 7.6657 7.6657 8.1499 8.1499 9.7728 9.7728 11.2283 11.2283 11.2291 11.2291 13.8326 13.8326 14.6818 14.6818 14.7125 14.7125 k = 0.1953 0.1953 0.1953 ( 2854 PWs) bands (ev): -11.5866 -11.5866 -11.1787 -11.1787 1.2455 1.2455 1.2567 1.2567 1.8570 1.8570 2.1523 2.1523 3.0616 3.0616 3.0697 3.0697 4.4142 4.4142 5.5205 5.5205 5.5703 5.5703 5.8809 5.8809 5.8926 5.8926 5.9491 5.9491 6.2909 6.2909 6.3006 6.3006 6.3431 6.3431 6.3666 6.3666 6.5385 6.5385 6.6340 6.6340 6.6713 6.6713 6.6947 6.6947 6.7849 6.7849 6.8277 6.8277 6.8390 6.8390 7.5265 7.5265 7.6536 7.6536 8.1279 8.1279 9.8326 9.8326 11.2847 11.2847 11.2867 11.2867 13.7157 13.7157 14.5580 14.5580 14.5873 14.5873 k = 0.2031 0.2031 0.2031 ( 2845 PWs) bands (ev): -11.5767 -11.5767 -11.1866 -11.1866 1.2504 1.2504 1.2617 1.2617 1.8680 1.8680 2.1331 2.1331 3.0353 3.0353 3.0433 3.0433 4.4551 4.4551 5.5227 5.5227 5.5726 5.5726 5.8973 5.8973 5.9020 5.9020 5.9719 5.9719 6.2699 6.2699 6.2783 6.2783 6.3362 6.3362 6.3597 6.3597 6.5289 6.5289 6.6337 6.6337 6.6726 6.6726 6.6968 6.6968 6.7822 6.7822 6.8339 6.8339 6.8554 6.8554 7.5162 7.5162 7.6437 7.6437 8.1054 8.1054 9.8930 9.8930 11.3368 11.3368 11.3401 11.3401 13.6018 13.6018 14.4384 14.4384 14.4662 14.4662 k = 0.2109 0.2109 0.2109 ( 2845 PWs) bands (ev): -11.5672 -11.5672 -11.1940 -11.1940 1.2552 1.2552 1.2665 1.2665 1.8599 1.8599 2.1346 2.1346 3.0096 3.0096 3.0175 3.0175 4.4962 4.4962 5.5240 5.5240 5.5738 5.5738 5.9110 5.9110 5.9123 5.9123 5.9936 5.9936 6.2475 6.2475 6.2568 6.2568 6.3326 6.3326 6.3530 6.3530 6.5184 6.5184 6.6337 6.6337 6.6740 6.6740 6.6986 6.6986 6.7796 6.7796 6.8392 6.8392 6.8725 6.8725 7.5083 7.5083 7.6358 7.6358 8.0822 8.0822 9.9539 9.9539 11.3844 11.3844 11.3891 11.3891 13.4913 13.4913 14.3233 14.3233 14.3496 14.3496 k = 0.2188 0.2187 0.2187 ( 2845 PWs) bands (ev): -11.5581 -11.5581 -11.2010 -11.2010 1.2598 1.2598 1.2712 1.2712 1.8354 1.8354 2.1539 2.1539 2.9846 2.9846 2.9924 2.9924 4.5375 4.5375 5.5242 5.5242 5.5736 5.5736 5.9198 5.9198 5.9257 5.9257 6.0142 6.0142 6.2255 6.2255 6.2371 6.2371 6.3310 6.3310 6.3464 6.3464 6.5073 6.5073 6.6341 6.6341 6.6756 6.6756 6.6998 6.6998 6.7773 6.7773 6.8436 6.8436 6.8901 6.8901 7.5027 7.5027 7.6297 7.6297 8.0585 8.0585 10.0150 10.0150 11.4272 11.4272 11.4335 11.4335 13.3844 13.3844 14.2130 14.2130 14.2377 14.2377 k = 0.2266 0.2266 0.2266 ( 2839 PWs) bands (ev): -11.5495 -11.5495 -11.2073 -11.2073 1.2642 1.2642 1.2756 1.2756 1.8012 1.8012 2.1842 2.1842 2.9606 2.9606 2.9682 2.9682 4.5788 4.5788 5.5233 5.5233 5.5721 5.5721 5.9284 5.9284 5.9374 5.9374 6.0331 6.0331 6.2046 6.2046 6.2201 6.2201 6.3310 6.3310 6.3400 6.3400 6.4956 6.4956 6.6349 6.6349 6.6774 6.6774 6.7008 6.7008 6.7752 6.7752 6.8470 6.8470 6.9080 6.9080 7.4993 7.4993 7.6255 7.6255 8.0342 8.0342 10.0761 10.0761 11.4649 11.4649 11.4729 11.4729 13.2817 13.2817 14.1079 14.1079 14.1308 14.1308 k = 0.2344 0.2344 0.2344 ( 2836 PWs) bands (ev): -11.5415 -11.5415 -11.2129 -11.2129 1.2684 1.2684 1.2798 1.2798 1.7626 1.7626 2.2202 2.2202 2.9375 2.9375 2.9449 2.9449 4.6198 4.6198 5.5212 5.5212 5.5689 5.5689 5.9365 5.9365 5.9473 5.9473 6.0501 6.0501 6.1856 6.1856 6.2066 6.2066 6.3323 6.3323 6.3337 6.3337 6.4835 6.4835 6.6361 6.6361 6.6793 6.6793 6.7013 6.7013 6.7731 6.7731 6.8493 6.8493 6.9263 6.9263 7.4980 7.4980 7.6231 7.6231 8.0095 8.0095 10.1369 10.1369 11.4974 11.4974 11.5072 11.5072 13.1833 13.1833 14.0083 14.0083 14.0294 14.0294 k = 0.2422 0.2422 0.2422 ( 2848 PWs) bands (ev): -11.5342 -11.5342 -11.2176 -11.2176 1.2722 1.2722 1.2836 1.2836 1.7223 1.7223 2.2588 2.2588 2.9153 2.9153 2.9226 2.9226 4.6604 4.6604 5.5178 5.5178 5.5641 5.5641 5.9438 5.9438 5.9551 5.9551 6.0647 6.0647 6.1686 6.1686 6.1974 6.1974 6.3277 6.3277 6.3349 6.3349 6.4711 6.4711 6.6373 6.6373 6.6813 6.6813 6.7015 6.7015 6.7710 6.7710 6.8505 6.8505 6.9448 6.9448 7.4987 7.4987 7.6222 7.6222 7.9843 7.9843 10.1971 10.1971 11.5243 11.5243 11.5362 11.5362 13.0897 13.0897 13.9144 13.9144 13.9335 13.9335 k = 0.2500 0.2500 0.2500 ( 2848 PWs) bands (ev): -11.5278 -11.5278 -11.2215 -11.2215 1.2758 1.2758 1.2872 1.2872 1.6821 1.6821 2.2983 2.2983 2.8943 2.8943 2.9013 2.9013 4.7004 4.7004 5.5130 5.5130 5.5576 5.5576 5.9501 5.9501 5.9610 5.9610 6.0769 6.0769 6.1539 6.1539 6.1930 6.1930 6.3223 6.3223 6.3388 6.3388 6.4586 6.4586 6.6389 6.6389 6.6835 6.6835 6.7016 6.7016 6.7689 6.7689 6.8506 6.8506 6.9638 6.9638 7.5011 7.5011 7.6229 7.6229 7.9588 7.9588 10.2565 10.2565 11.5456 11.5456 11.5596 11.5596 13.0013 13.0013 13.8266 13.8266 13.8437 13.8437 k = 0.2578 0.2578 0.2578 ( 2848 PWs) bands (ev): -11.5223 -11.5223 -11.2244 -11.2244 1.2790 1.2790 1.2904 1.2904 1.6428 1.6428 2.3378 2.3378 2.8743 2.8743 2.8811 2.8811 4.7396 4.7396 5.5067 5.5067 5.5494 5.5494 5.9548 5.9548 5.9650 5.9650 6.0875 6.0875 6.1413 6.1413 6.1931 6.1931 6.3176 6.3176 6.3440 6.3440 6.4463 6.4463 6.6406 6.6406 6.6858 6.6858 6.7014 6.7014 6.7665 6.7665 6.8498 6.8498 6.9831 6.9831 7.5053 7.5053 7.6251 7.6251 7.9331 7.9331 10.3148 10.3148 11.5610 11.5610 11.5773 11.5773 12.9184 12.9184 13.7451 13.7451 13.7601 13.7601 k = 0.2656 0.2656 0.2656 ( 2845 PWs) bands (ev): -11.5178 -11.5178 -11.2261 -11.2261 1.2819 1.2819 1.2933 1.2933 1.6049 1.6049 2.3765 2.3765 2.8555 2.8555 2.8619 2.8619 4.7776 4.7776 5.4991 5.4991 5.5395 5.5395 5.9578 5.9578 5.9674 5.9674 6.0978 6.0978 6.1310 6.1310 6.1965 6.1965 6.3138 6.3138 6.3504 6.3504 6.4342 6.4342 6.6425 6.6425 6.6883 6.6883 6.7011 6.7011 6.7640 6.7640 6.8480 6.8480 7.0030 7.0030 7.5110 7.5110 7.6286 7.6286 7.9073 7.9073 10.3717 10.3717 11.5705 11.5705 11.5893 11.5893 12.8416 12.8416 13.6702 13.6702 13.6829 13.6829 k = 0.2734 0.2734 0.2734 ( 2839 PWs) bands (ev): -11.5143 -11.5143 -11.2268 -11.2268 1.2844 1.2844 1.2957 1.2957 1.5686 1.5686 2.4141 2.4141 2.8379 2.8379 2.8440 2.8440 4.8144 4.8144 5.4901 5.4901 5.5282 5.5282 5.9588 5.9588 5.9683 5.9683 6.1092 6.1092 6.1224 6.1224 6.2013 6.2013 6.3114 6.3114 6.3578 6.3578 6.4226 6.4226 6.6444 6.6444 6.6909 6.6909 6.7008 6.7008 6.7612 6.7612 6.8453 6.8453 7.0235 7.0235 7.5180 7.5180 7.6334 7.6334 7.8814 7.8814 10.4267 10.4267 11.5739 11.5739 11.5953 11.5953 12.7711 12.7711 13.6020 13.6020 13.6125 13.6125 k = 0.2812 0.2812 0.2812 ( 2842 PWs) bands (ev): -11.5118 -11.5118 -11.2264 -11.2264 1.2865 1.2865 1.2977 1.2977 1.5342 1.5342 2.4501 2.4501 2.8215 2.8215 2.8272 2.8272 4.8496 4.8496 5.4798 5.4798 5.5153 5.5153 5.9579 5.9579 5.9681 5.9681 6.1152 6.1152 6.1226 6.1226 6.2059 6.2059 6.3104 6.3104 6.3661 6.3661 6.4117 6.4117 6.6463 6.6463 6.6937 6.6937 6.7004 6.7004 6.7582 6.7582 6.8418 6.8418 7.0446 7.0446 7.5263 7.5263 7.6393 7.6393 7.8555 7.8555 10.4795 10.4795 11.5714 11.5714 11.5954 11.5954 12.7074 12.7074 13.5406 13.5406 13.5488 13.5488 k = 0.2891 0.2891 0.2891 ( 2842 PWs) bands (ev): -11.5105 -11.5105 -11.2250 -11.2250 1.2882 1.2882 1.2994 1.2994 1.5019 1.5019 2.4844 2.4844 2.8063 2.8063 2.8117 2.8117 4.8832 4.8832 5.4683 5.4683 5.5012 5.5012 5.9557 5.9557 5.9672 5.9672 6.1094 6.1094 6.1383 6.1383 6.2091 6.2091 6.3110 6.3110 6.3751 6.3751 6.4020 6.4020 6.6482 6.6482 6.6967 6.6967 6.7000 6.7000 6.7552 6.7552 6.8376 6.8376 7.0665 7.0665 7.5357 7.5357 7.6463 7.6463 7.8299 7.8299 10.5298 10.5298 11.5632 11.5632 11.5898 11.5898 12.6509 12.6509 13.4860 13.4860 13.4919 13.4919 k = 0.2969 0.2969 0.2969 ( 2842 PWs) bands (ev): -11.5101 -11.5101 -11.2225 -11.2225 1.2895 1.2895 1.3005 1.3005 1.4716 1.4716 2.5167 2.5167 2.7923 2.7923 2.7973 2.7973 4.9149 4.9149 5.4558 5.4558 5.4861 5.4861 5.9527 5.9527 5.9656 5.9656 6.1046 6.1046 6.1560 6.1560 6.2104 6.2104 6.3124 6.3124 6.3846 6.3846 6.3941 6.3941 6.6498 6.6498 6.6996 6.6996 6.6999 6.6999 6.7522 6.7522 6.8329 6.8329 7.0893 7.0893 7.5460 7.5460 7.6542 7.6542 7.8046 7.8046 10.5771 10.5771 11.5493 11.5493 11.5786 11.5786 12.6021 12.6021 13.4381 13.4381 13.4417 13.4417 k = 0.3047 0.3047 0.3047 ( 2854 PWs) bands (ev): -11.5106 -11.5106 -11.2191 -11.2191 1.2904 1.2904 1.3013 1.3013 1.4435 1.4435 2.5469 2.5469 2.7795 2.7795 2.7841 2.7841 4.9447 4.9447 5.4424 5.4424 5.4702 5.4702 5.9490 5.9490 5.9634 5.9634 6.1006 6.1006 6.1752 6.1752 6.2100 6.2100 6.3134 6.3134 6.3887 6.3887 6.3943 6.3943 6.6511 6.6511 6.6992 6.6992 6.7031 6.7031 6.7494 6.7494 6.8277 6.8277 7.1132 7.1132 7.5571 7.5571 7.6630 7.6630 7.7797 7.7797 10.6210 10.6210 11.5303 11.5303 11.5621 11.5621 12.5614 12.5614 13.3966 13.3966 13.3981 13.3981 k = 0.3125 0.3125 0.3125 ( 2854 PWs) bands (ev): -11.5119 -11.5119 -11.2148 -11.2148 1.2909 1.2909 1.3016 1.3016 1.4176 1.4176 2.5748 2.5748 2.7681 2.7681 2.7721 2.7721 4.9725 4.9725 5.4284 5.4284 5.4536 5.4536 5.9452 5.9452 5.9609 5.9609 6.0973 6.0973 6.1940 6.1940 6.2096 6.2096 6.3132 6.3132 6.3869 6.3869 6.4042 6.4042 6.6520 6.6520 6.6990 6.6990 6.7065 6.7065 6.7471 6.7471 6.8222 6.8222 7.1385 7.1385 7.5689 7.5689 7.6725 7.6725 7.7555 7.7555 10.6612 10.6612 11.5065 11.5065 11.5408 11.5408 12.5291 12.5291 13.3607 13.3607 13.3613 13.3613 k = 0.3203 0.3203 0.3203 ( 2854 PWs) bands (ev): -11.5139 -11.5139 -11.2099 -11.2099 1.2910 1.2910 1.3015 1.3015 1.3938 1.3938 2.6003 2.6003 2.7578 2.7578 2.7614 2.7614 4.9983 4.9983 5.4138 5.4138 5.4367 5.4367 5.9414 5.9414 5.9580 5.9580 6.0948 6.0948 6.2005 6.2005 6.2207 6.2207 6.3109 6.3109 6.3886 6.3886 6.4140 6.4140 6.6523 6.6523 6.6988 6.6988 6.7101 6.7101 6.7454 6.7454 6.8166 6.8166 7.1653 7.1653 7.5813 7.5813 7.6822 7.6822 7.7324 7.7324 10.6974 10.6974 11.4785 11.4785 11.5152 11.5152 12.5056 12.5056 13.3292 13.3292 13.3316 13.3316 k = 0.3281 0.3281 0.3281 ( 2857 PWs) bands (ev): -11.5166 -11.5166 -11.2044 -11.2044 1.2906 1.2906 1.3010 1.3010 1.3723 1.3723 2.6235 2.6235 2.7487 2.7487 2.7517 2.7517 5.0220 5.0220 5.3990 5.3990 5.4196 5.4196 5.9375 5.9375 5.9546 5.9546 6.0928 6.0928 6.1970 6.1970 6.2405 6.2405 6.3073 6.3073 6.3932 6.3932 6.4236 6.4236 6.6519 6.6519 6.6988 6.6988 6.7136 6.7136 6.7445 6.7445 6.8110 6.8110 7.1934 7.1934 7.5941 7.5941 7.6905 7.6905 7.7123 7.7123 10.7293 10.7293 11.4468 11.4468 11.4856 11.4856 12.4908 12.4908 13.3031 13.3031 13.3072 13.3072 k = 0.3359 0.3359 0.3359 ( 2857 PWs) bands (ev): -11.5197 -11.5197 -11.1984 -11.1984 1.2900 1.2900 1.3001 1.3001 1.3528 1.3528 2.6442 2.6442 2.7407 2.7407 2.7432 2.7432 5.0436 5.0436 5.3840 5.3840 5.4025 5.4025 5.9337 5.9337 5.9509 5.9509 6.0913 6.0913 6.1920 6.1920 6.2591 6.2591 6.3045 6.3045 6.3998 6.3998 6.4328 6.4328 6.6508 6.6508 6.6989 6.6989 6.7171 6.7171 6.7446 6.7446 6.8057 6.8057 7.2232 7.2232 7.6073 7.6073 7.6826 7.6826 7.7097 7.7097 10.7568 10.7568 11.4120 11.4120 11.4529 11.4529 12.4850 12.4850 13.2820 13.2820 13.2876 13.2876 k = 0.3438 0.3437 0.3437 ( 2860 PWs) bands (ev): -11.5232 -11.5232 -11.1922 -11.1922 1.2890 1.2890 1.2988 1.2988 1.3356 1.3356 2.6624 2.6624 2.7338 2.7338 2.7358 2.7358 5.0632 5.0632 5.3690 5.3690 5.3856 5.3856 5.9297 5.9297 5.9467 5.9467 6.0903 6.0903 6.1864 6.1864 6.2712 6.2712 6.3068 6.3068 6.4074 6.4074 6.4415 6.4415 6.6491 6.6491 6.6990 6.6990 6.7205 6.7205 6.7457 6.7457 6.8007 6.8007 7.2545 7.2545 7.6208 7.6208 7.6632 7.6632 7.7200 7.7200 10.7800 10.7800 11.3749 11.3749 11.4177 11.4177 12.4879 12.4879 13.2653 13.2653 13.2722 13.2722 k = 0.3516 0.3516 0.3516 ( 2860 PWs) bands (ev): -11.5269 -11.5269 -11.1857 -11.1857 1.2877 1.2877 1.2971 1.2971 1.3204 1.3204 2.6782 2.6782 2.7280 2.7280 2.7294 2.7294 5.0810 5.0810 5.3541 5.3541 5.3689 5.3689 5.9258 5.9258 5.9422 5.9422 6.0898 6.0898 6.1805 6.1805 6.2731 6.2731 6.3183 6.3183 6.4156 6.4156 6.4497 6.4497 6.6467 6.6467 6.6993 6.6993 6.7235 6.7235 6.7479 6.7479 6.7964 6.7964 7.2875 7.2875 7.6345 7.6345 7.6438 7.6438 7.7319 7.7319 10.7989 10.7989 11.3361 11.3361 11.3804 11.3804 12.4992 12.4992 13.2524 13.2524 13.2605 13.2605 k = 0.3594 0.3594 0.3594 ( 2860 PWs) bands (ev): -11.5308 -11.5308 -11.1791 -11.1791 1.2861 1.2861 1.2947 1.2947 1.3076 1.3076 2.6916 2.6916 2.7232 2.7232 2.7240 2.7240 5.0969 5.0969 5.3395 5.3395 5.3527 5.3527 5.9218 5.9218 5.9373 5.9373 6.0897 6.0897 6.1743 6.1743 6.2694 6.2694 6.3339 6.3339 6.4240 6.4240 6.4572 6.4572 6.6440 6.6440 6.6997 6.6997 6.7260 6.7260 6.7509 6.7509 6.7929 6.7929 7.3219 7.3219 7.6254 7.6254 7.6482 7.6482 7.7445 7.7445 10.8140 10.8140 11.2961 11.2961 11.3418 11.3418 12.5186 12.5186 13.2429 13.2429 13.2519 13.2519 k = 0.3672 0.3672 0.3672 ( 2860 PWs) bands (ev): -11.5349 -11.5349 -11.1724 -11.1724 1.2842 1.2842 1.2905 1.2905 1.2982 1.2982 2.7026 2.7026 2.7194 2.7194 2.7195 2.7195 5.1111 5.1111 5.3252 5.3252 5.3369 5.3369 5.9177 5.9177 5.9321 5.9321 6.0898 6.0898 6.1679 6.1679 6.2642 6.2642 6.3495 6.3495 6.4324 6.4324 6.4641 6.4641 6.6409 6.6409 6.7003 6.7003 6.7279 6.7279 6.7549 6.7549 6.7907 6.7907 7.3575 7.3575 7.6082 7.6082 7.6619 7.6619 7.7573 7.7573 10.8255 10.8255 11.2555 11.2555 11.3024 11.3024 12.5455 12.5455 13.2363 13.2363 13.2461 13.2461 k = 0.3750 0.3750 0.3750 ( 2878 PWs) bands (ev): -11.5390 -11.5390 -11.1659 -11.1659 1.2821 1.2821 1.2832 1.2832 1.2934 1.2934 2.7106 2.7106 2.7157 2.7157 2.7173 2.7173 5.1237 5.1237 5.3113 5.3113 5.3216 5.3216 5.9134 5.9134 5.9265 5.9265 6.0901 6.0901 6.1613 6.1613 6.2585 6.2585 6.3636 6.3636 6.4405 6.4405 6.4701 6.4701 6.6377 6.6377 6.7009 6.7009 6.7288 6.7288 6.7595 6.7595 6.7896 6.7896 7.3938 7.3938 7.5925 7.5925 7.6755 7.6755 7.7703 7.7703 10.8338 10.8338 11.2148 11.2148 11.2628 11.2628 12.5791 12.5791 13.2320 13.2320 13.2425 13.2425 k = 0.3828 0.3828 0.3828 ( 2872 PWs) bands (ev): -11.5430 -11.5430 -11.1594 -11.1594 1.2757 1.2757 1.2800 1.2800 1.2904 1.2904 2.7121 2.7121 2.7128 2.7128 2.7203 2.7203 5.1349 5.1349 5.2981 5.2981 5.3071 5.3071 5.9092 5.9092 5.9208 5.9208 6.0907 6.0907 6.1550 6.1550 6.2533 6.2533 6.3760 6.3760 6.4485 6.4485 6.4756 6.4756 6.6346 6.6346 6.7017 6.7017 6.7288 6.7288 6.7647 6.7647 6.7900 6.7900 7.4304 7.4304 7.5788 7.5788 7.6889 7.6889 7.7835 7.7835 10.8394 10.8394 11.1746 11.1746 11.2234 11.2234 12.6186 12.6186 13.2298 13.2298 13.2409 13.2409 k = 0.3906 0.3906 0.3906 ( 2869 PWs) bands (ev): -11.5470 -11.5470 -11.1531 -11.1531 1.2693 1.2693 1.2777 1.2777 1.2877 1.2877 2.7105 2.7105 2.7109 2.7109 2.7249 2.7249 5.1448 5.1448 5.2854 5.2854 5.2933 5.2933 5.9048 5.9048 5.9151 5.9151 6.0914 6.0914 6.1487 6.1487 6.2484 6.2484 6.3862 6.3862 6.4562 6.4562 6.4804 6.4804 6.6316 6.6316 6.7025 6.7025 6.7281 6.7281 6.7704 6.7704 6.7916 6.7916 7.4657 7.4657 7.5680 7.5680 7.7021 7.7021 7.7967 7.7967 10.8429 10.8429 11.1353 11.1353 11.1846 11.1846 12.6634 12.6634 13.2292 13.2292 13.2407 13.2407 k = 0.3984 0.3984 0.3984 ( 2866 PWs) bands (ev): -11.5509 -11.5509 -11.1471 -11.1471 1.2642 1.2642 1.2753 1.2753 1.2851 1.2851 2.7088 2.7088 2.7099 2.7099 2.7282 2.7282 5.1535 5.1535 5.2734 5.2734 5.2803 5.2803 5.9005 5.9005 5.9094 5.9094 6.0922 6.0922 6.1426 6.1426 6.2439 6.2439 6.3946 6.3946 6.4634 6.4634 6.4845 6.4845 6.6289 6.6289 6.7033 6.7033 6.7267 6.7267 6.7763 6.7763 6.7941 6.7941 7.4959 7.4959 7.5637 7.5637 7.7149 7.7149 7.8099 7.8099 10.8445 10.8445 11.0974 11.0974 11.1469 11.1469 12.7124 12.7124 13.2299 13.2299 13.2418 13.2418 k = 0.4062 0.4062 0.4062 ( 2878 PWs) bands (ev): -11.5546 -11.5546 -11.1414 -11.1414 1.2602 1.2602 1.2728 1.2728 1.2825 1.2825 2.7077 2.7077 2.7093 2.7093 2.7300 2.7300 5.1609 5.1609 5.2620 5.2620 5.2680 5.2680 5.8960 5.8960 5.9035 5.9035 6.0929 6.0929 6.1366 6.1366 6.2397 6.2397 6.4012 6.4012 6.4699 6.4699 6.4881 6.4881 6.6263 6.6263 6.7042 6.7042 6.7248 6.7248 6.7824 6.7824 6.7973 6.7973 7.5113 7.5113 7.5747 7.5747 7.7272 7.7272 7.8229 7.8229 10.8446 10.8446 11.0613 11.0613 11.1107 11.1107 12.7648 12.7648 13.2315 13.2315 13.2437 13.2437 k = 0.4141 0.4141 0.4141 ( 2884 PWs) bands (ev): -11.5581 -11.5581 -11.1360 -11.1360 1.2573 1.2573 1.2704 1.2704 1.2799 1.2799 2.7070 2.7070 2.7090 2.7090 2.7306 2.7306 5.1673 5.1673 5.2515 5.2515 5.2566 5.2566 5.8916 5.8916 5.8979 5.8979 6.0937 6.0937 6.1309 6.1309 6.2361 6.2361 6.4063 6.4063 6.4758 6.4758 6.4910 6.4910 6.6240 6.6240 6.7050 6.7050 6.7227 6.7227 6.7884 6.7884 6.8009 6.8009 7.5112 7.5112 7.6014 7.6014 7.7391 7.7391 7.8358 7.8358 10.8435 10.8435 11.0274 11.0274 11.0762 11.0762 12.8196 12.8196 13.2339 13.2339 13.2464 13.2464 k = 0.4219 0.4219 0.4219 ( 2884 PWs) bands (ev): -11.5613 -11.5613 -11.1310 -11.1310 1.2554 1.2554 1.2681 1.2681 1.2775 1.2775 2.7066 2.7066 2.7091 2.7091 2.7302 2.7302 5.1729 5.1729 5.2418 5.2418 5.2462 5.2462 5.8874 5.8874 5.8926 5.8926 6.0945 6.0945 6.1256 6.1256 6.2329 6.2329 6.4102 6.4102 6.4810 6.4810 6.4935 6.4935 6.6220 6.6220 6.7058 6.7058 6.7206 6.7206 6.7944 6.7944 6.8047 6.8047 7.5057 7.5057 7.6330 7.6330 7.7502 7.7502 7.8485 7.8485 10.8413 10.8413 10.9962 10.9962 11.0438 11.0438 12.8760 12.8760 13.2368 13.2368 13.2494 13.2494 k = 0.4297 0.4297 0.4297 ( 2884 PWs) bands (ev): -11.5643 -11.5643 -11.1263 -11.1263 1.2543 1.2543 1.2659 1.2659 1.2752 1.2752 2.7066 2.7066 2.7094 2.7094 2.7289 2.7289 5.1777 5.1777 5.2329 5.2329 5.2366 5.2366 5.8833 5.8833 5.8875 5.8875 6.0952 6.0952 6.1206 6.1206 6.2301 6.2301 6.4131 6.4131 6.4856 6.4856 6.4955 6.4955 6.6203 6.6203 6.7066 6.7066 6.7187 6.7187 6.8002 6.8002 6.8085 6.8085 7.4993 7.4993 7.6646 7.6646 7.7607 7.7607 7.8610 7.8610 10.8380 10.8380 10.9681 10.9681 11.0137 11.0137 12.9329 12.9329 13.2399 13.2399 13.2528 13.2528 k = 0.4375 0.4375 0.4375 ( 2881 PWs) bands (ev): -11.5671 -11.5671 -11.1221 -11.1221 1.2537 1.2537 1.2638 1.2638 1.2732 1.2732 2.7067 2.7067 2.7098 2.7098 2.7271 2.7271 5.1817 5.1817 5.2250 5.2250 5.2281 5.2281 5.8795 5.8795 5.8827 5.8827 6.0958 6.0958 6.1161 6.1161 6.2276 6.2276 6.4153 6.4153 6.4894 6.4894 6.4971 6.4971 6.6190 6.6190 6.7073 6.7073 6.7168 6.7168 6.8057 6.8057 6.8123 6.8123 7.4931 7.4931 7.6943 7.6943 7.7704 7.7704 7.8732 7.8732 10.8335 10.8335 10.9437 10.9437 10.9861 10.9861 12.9892 12.9892 13.2432 13.2432 13.2562 13.2562 k = 0.4453 0.4453 0.4453 ( 2863 PWs) bands (ev): -11.5695 -11.5695 -11.1183 -11.1183 1.2536 1.2536 1.2619 1.2619 1.2714 1.2714 2.7071 2.7071 2.7103 2.7103 2.7249 2.7249 5.1850 5.1850 5.2179 5.2179 5.2205 5.2205 5.8760 5.8760 5.8784 5.8784 6.0964 6.0964 6.1121 6.1121 6.2256 6.2256 6.4169 6.4169 6.4928 6.4928 6.4985 6.4985 6.6179 6.6179 6.7081 6.7081 6.7153 6.7153 6.8108 6.8108 6.8159 6.8159 7.4876 7.4876 7.7213 7.7213 7.7792 7.7792 7.8849 7.8849 10.8277 10.8277 10.9235 10.9235 10.9613 10.9613 13.0438 13.0438 13.2464 13.2464 13.2596 13.2596 k = 0.4531 0.4531 0.4531 ( 2857 PWs) bands (ev): -11.5717 -11.5717 -11.1150 -11.1150 1.2538 1.2538 1.2601 1.2601 1.2698 1.2698 2.7075 2.7075 2.7107 2.7107 2.7226 2.7226 5.1878 5.1878 5.2117 5.2117 5.2139 5.2139 5.8729 5.8729 5.8746 5.8746 6.0969 6.0969 6.1085 6.1085 6.2239 6.2239 6.4180 6.4180 6.4954 6.4954 6.4996 6.4996 6.6170 6.6170 6.7086 6.7086 6.7140 6.7140 6.8153 6.8153 6.8190 6.8190 7.4827 7.4827 7.7450 7.7450 7.7870 7.7870 7.8961 7.8961 10.8205 10.8205 10.9076 10.9076 10.9395 10.9395 13.0953 13.0953 13.2495 13.2495 13.2628 13.2628 k = 0.4609 0.4609 0.4609 ( 2857 PWs) bands (ev): -11.5735 -11.5735 -11.1122 -11.1122 1.2541 1.2541 1.2586 1.2586 1.2685 1.2685 2.7079 2.7079 2.7110 2.7110 2.7205 2.7205 5.1900 5.1900 5.2065 5.2065 5.2083 5.2083 5.8700 5.8700 5.8712 5.8712 6.0973 6.0973 6.1054 6.1054 6.2223 6.2223 6.4187 6.4187 6.4975 6.4975 6.5004 6.5004 6.6163 6.6163 6.7091 6.7091 6.7128 6.7128 6.8192 6.8192 6.8218 6.8218 7.4786 7.4786 7.7652 7.7652 7.7937 7.7937 7.9065 7.9065 10.8123 10.8123 10.8960 10.8960 10.9207 10.9207 13.1424 13.1424 13.2523 13.2523 13.2658 13.2658 k = 0.4688 0.4687 0.4687 ( 2857 PWs) bands (ev): -11.5751 -11.5751 -11.1099 -11.1099 1.2544 1.2544 1.2573 1.2573 1.2676 1.2676 2.7084 2.7084 2.7109 2.7109 2.7189 2.7189 5.1917 5.1917 5.2022 5.2022 5.2037 5.2037 5.8676 5.8676 5.8683 5.8683 6.0976 6.0976 6.1028 6.1028 6.2211 6.2211 6.4192 6.4192 6.4992 6.4992 6.5010 6.5010 6.6157 6.6157 6.7094 6.7094 6.7118 6.7118 6.8225 6.8225 6.8242 6.8242 7.4753 7.4753 7.7814 7.7814 7.7993 7.7993 7.9157 7.9157 10.8039 10.8039 10.8880 10.8880 10.9052 10.9052 13.1836 13.1836 13.2546 13.2546 13.2685 13.2685 k = 0.4766 0.4766 0.4766 ( 2872 PWs) bands (ev): -11.5763 -11.5763 -11.1081 -11.1081 1.2546 1.2546 1.2563 1.2563 1.2669 1.2669 2.7087 2.7087 2.7105 2.7105 2.7178 2.7178 5.1930 5.1930 5.1987 5.1987 5.1999 5.1999 5.8655 5.8655 5.8660 5.8660 6.0977 6.0977 6.1006 6.1006 6.2200 6.2200 6.4194 6.4194 6.5004 6.5004 6.5014 6.5014 6.6153 6.6153 6.7097 6.7097 6.7110 6.7110 6.8250 6.8250 6.8260 6.8260 7.4726 7.4726 7.7938 7.7938 7.8037 7.8037 7.9235 7.9235 10.7963 10.7963 10.8827 10.8827 10.8930 10.8930 13.2172 13.2172 13.2566 13.2566 13.2710 13.2710 k = 0.4844 0.4844 0.4844 ( 2872 PWs) bands (ev): -11.5771 -11.5771 -11.1068 -11.1068 1.2548 1.2548 1.2555 1.2555 1.2665 1.2665 2.7090 2.7090 2.7099 2.7099 2.7173 2.7173 5.1938 5.1938 5.1964 5.1964 5.1973 5.1973 5.8641 5.8641 5.8643 5.8643 6.0979 6.0979 6.0992 6.0992 6.2194 6.2194 6.4196 6.4196 6.5012 6.5012 6.5017 6.5017 6.6150 6.6150 6.7099 6.7099 6.7105 6.7105 6.8269 6.8269 6.8273 6.8273 7.4708 7.4708 7.8026 7.8026 7.8069 7.8069 7.9294 7.9294 10.7904 10.7904 10.8795 10.8795 10.8842 10.8842 13.2415 13.2415 13.2580 13.2580 13.2737 13.2737 k = 0.4922 0.4922 0.4922 ( 2872 PWs) bands (ev): -11.5776 -11.5776 -11.1060 -11.1060 1.2549 1.2549 1.2551 1.2551 1.2663 1.2663 2.7092 2.7092 2.7095 2.7095 2.7171 2.7171 5.1939 5.1939 5.1954 5.1954 5.1958 5.1958 5.8633 5.8633 5.8633 5.8633 6.0980 6.0980 6.0983 6.0983 6.2190 6.2190 6.4197 6.4197 6.5017 6.5017 6.5018 6.5018 6.6148 6.6148 6.7101 6.7101 6.7102 6.7102 6.8281 6.8281 6.8282 6.8282 7.4697 7.4697 7.8077 7.8077 7.8088 7.8088 7.9331 7.9331 10.7866 10.7866 10.8777 10.8777 10.8789 10.8789 13.2552 13.2552 13.2588 13.2588 13.2768 13.2768 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -11.5778 -11.5778 -11.1057 -11.1057 1.2549 1.2549 1.2549 1.2549 1.2662 1.2662 2.7093 2.7093 2.7093 2.7093 2.7170 2.7170 5.1937 5.1937 5.1953 5.1953 5.1953 5.1953 5.8630 5.8630 5.8630 5.8630 6.0980 6.0980 6.0980 6.0980 6.2189 6.2189 6.4197 6.4197 6.5019 6.5019 6.5019 6.5019 6.6148 6.6148 6.7101 6.7101 6.7101 6.7101 6.8284 6.8284 6.8284 6.8284 7.4694 7.4694 7.8095 7.8095 7.8095 7.8095 7.9344 7.9344 10.7853 10.7853 10.8771 10.8771 10.8771 10.8771 13.2591 13.2591 13.2591 13.2591 13.2785 13.2785 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -11.5778 -11.5778 -11.1057 -11.1057 1.2549 1.2549 1.2549 1.2549 1.2662 1.2662 2.7093 2.7093 2.7093 2.7093 2.7170 2.7170 5.1937 5.1937 5.1953 5.1953 5.1953 5.1953 5.8630 5.8630 5.8630 5.8630 6.0980 6.0980 6.0980 6.0980 6.2189 6.2189 6.4197 6.4197 6.5019 6.5019 6.5019 6.5019 6.6148 6.6148 6.7101 6.7101 6.7101 6.7101 6.8284 6.8284 6.8284 6.8284 7.4694 7.4694 7.8095 7.8095 7.8095 7.8095 7.9344 7.9344 10.7853 10.7853 10.8771 10.8771 10.8771 10.8771 13.2591 13.2591 13.2591 13.2591 13.2785 13.2785 k = 0.4906 0.5000 0.4906 ( 2872 PWs) bands (ev): -11.5776 -11.5776 -11.1060 -11.1060 1.2547 1.2547 1.2552 1.2552 1.2663 1.2663 2.7092 2.7092 2.7095 2.7095 2.7171 2.7171 5.1939 5.1939 5.1954 5.1954 5.1958 5.1958 5.8633 5.8633 5.8633 5.8633 6.0980 6.0980 6.0983 6.0983 6.2190 6.2190 6.4197 6.4197 6.5017 6.5017 6.5019 6.5019 6.6148 6.6148 6.7100 6.7100 6.7103 6.7103 6.8281 6.8281 6.8282 6.8282 7.4697 7.4697 7.8078 7.8078 7.8088 7.8088 7.9332 7.9332 10.7866 10.7866 10.8771 10.8771 10.8795 10.8795 13.2550 13.2550 13.2591 13.2591 13.2769 13.2769 k = 0.4811 0.5000 0.4811 ( 2872 PWs) bands (ev): -11.5771 -11.5771 -11.1067 -11.1067 1.2540 1.2540 1.2561 1.2561 1.2666 1.2666 2.7089 2.7089 2.7101 2.7101 2.7173 2.7173 5.1941 5.1941 5.1960 5.1960 5.1974 5.1974 5.8641 5.8641 5.8643 5.8643 6.0980 6.0980 6.0991 6.0991 6.2194 6.2194 6.4196 6.4196 6.5012 6.5012 6.5017 6.5017 6.6150 6.6150 6.7096 6.7096 6.7108 6.7108 6.8269 6.8269 6.8274 6.8274 7.4708 7.4708 7.8028 7.8028 7.8069 7.8069 7.9296 7.9296 10.7899 10.7899 10.8770 10.8770 10.8867 10.8867 13.2405 13.2405 13.2585 13.2585 13.2749 13.2749 k = 0.4717 0.5000 0.4717 ( 2872 PWs) bands (ev): -11.5763 -11.5763 -11.1080 -11.1080 1.2527 1.2527 1.2575 1.2575 1.2675 1.2675 2.7082 2.7082 2.7111 2.7111 2.7178 2.7178 5.1939 5.1939 5.1974 5.1974 5.2002 5.2002 5.8655 5.8655 5.8659 5.8659 6.0979 6.0979 6.1004 6.1004 6.2200 6.2200 6.4194 6.4194 6.5004 6.5004 6.5014 6.5014 6.6153 6.6153 6.7091 6.7091 6.7117 6.7117 6.8251 6.8251 6.8261 6.8261 7.4726 7.4726 7.7946 7.7946 7.8035 7.8035 7.9238 7.9238 10.7944 10.7944 10.8775 10.8775 10.8993 10.8993 13.2146 13.2146 13.2565 13.2565 13.2751 13.2751 k = 0.4623 0.5000 0.4623 ( 2864 PWs) bands (ev): -11.5751 -11.5751 -11.1098 -11.1098 1.2505 1.2505 1.2593 1.2593 1.2693 1.2693 2.7070 2.7070 2.7124 2.7124 2.7187 2.7187 5.1934 5.1934 5.1994 5.1994 5.2043 5.2043 5.8674 5.8674 5.8681 5.8681 6.0978 6.0978 6.1024 6.1024 6.2210 6.2210 6.4192 6.4192 6.4992 6.4992 6.5011 6.5011 6.6157 6.6157 6.7083 6.7083 6.7130 6.7130 6.8226 6.8226 6.8243 6.8243 7.4751 7.4751 7.7834 7.7834 7.7983 7.7983 7.9164 7.9164 10.7985 10.7985 10.8791 10.8791 10.9179 10.9179 13.1790 13.1790 13.2525 13.2525 13.2777 13.2777 k = 0.4528 0.5000 0.4528 ( 2860 PWs) bands (ev): -11.5736 -11.5736 -11.1120 -11.1120 1.2474 1.2474 1.2614 1.2614 1.2723 1.2723 2.7053 2.7053 2.7140 2.7140 2.7201 2.7201 5.1928 5.1928 5.2019 5.2019 5.2095 5.2095 5.8698 5.8698 5.8709 5.8709 6.0977 6.0977 6.1047 6.1047 6.2222 6.2222 6.4188 6.4188 6.4975 6.4975 6.5005 6.5005 6.6163 6.6163 6.7073 6.7073 6.7146 6.7146 6.8193 6.8193 6.8221 6.8221 7.4783 7.4783 7.7692 7.7692 7.7910 7.7910 7.9078 7.9078 10.8011 10.8011 10.8828 10.8828 10.9426 10.9426 13.1353 13.1353 13.2467 13.2467 13.2825 13.2825 k = 0.4434 0.5000 0.4434 ( 2860 PWs) bands (ev): -11.5718 -11.5718 -11.1148 -11.1148 1.2434 1.2434 1.2636 1.2636 1.2763 1.2763 2.7030 2.7030 2.7157 2.7157 2.7220 2.7220 5.1919 5.1919 5.2051 5.2051 5.2158 5.2158 5.8726 5.8726 5.8743 5.8743 6.0975 6.0975 6.1076 6.1076 6.2236 6.2236 6.4181 6.4181 6.4954 6.4954 6.4999 6.4999 6.6171 6.6171 6.7060 6.7060 6.7166 6.7166 6.8154 6.8154 6.8194 6.8194 7.4823 7.4823 7.7522 7.7522 7.7810 7.7810 7.8987 7.8987 10.8012 10.8012 10.8893 10.8893 10.9736 10.9736 13.0851 13.0851 13.2392 13.2392 13.2889 13.2889 k = 0.4340 0.5000 0.4340 ( 2864 PWs) bands (ev): -11.5697 -11.5697 -11.1180 -11.1180 1.2388 1.2388 1.2662 1.2662 1.2813 1.2813 2.7003 2.7003 2.7176 2.7176 2.7244 2.7244 5.1909 5.1909 5.2087 5.2087 5.2232 5.2232 5.8758 5.8758 5.8780 5.8780 6.0972 6.0972 6.1109 6.1109 6.2253 6.2253 6.4171 6.4171 6.4926 6.4926 6.4989 6.4989 6.6181 6.6181 6.7045 6.7045 6.7189 6.7189 6.8108 6.8108 6.8162 6.8162 7.4870 7.4870 7.7328 7.7328 7.7679 7.7679 7.8899 7.8899 10.7989 10.7989 10.8986 10.8986 11.0103 11.0103 13.0300 13.0300 13.2303 13.2303 13.2969 13.2969 k = 0.4245 0.5000 0.4245 ( 2872 PWs) bands (ev): -11.5673 -11.5673 -11.1217 -11.1217 1.2337 1.2337 1.2691 1.2691 1.2873 1.2873 2.6971 2.6971 2.7195 2.7195 2.7271 2.7271 5.1896 5.1896 5.2127 5.2127 5.2317 5.2317 5.8794 5.8794 5.8821 5.8821 6.0968 6.0968 6.1145 6.1145 6.2272 6.2272 6.4156 6.4156 6.4892 6.4892 6.4978 6.4978 6.6194 6.6194 6.7029 6.7029 6.7216 6.7216 6.8057 6.8057 6.8128 6.8128 7.4925 7.4925 7.7112 7.7112 7.7514 7.7514 7.8818 7.8818 10.7945 10.7945 10.9108 10.9108 11.0521 11.0521 12.9715 12.9715 13.2200 13.2200 13.3065 13.3065 k = 0.4151 0.5000 0.4151 ( 2880 PWs) bands (ev): -11.5646 -11.5646 -11.1258 -11.1258 1.2280 1.2280 1.2723 1.2723 1.2942 1.2942 2.6935 2.6935 2.7213 2.7213 2.7302 2.7302 5.1881 5.1881 5.2172 5.2172 5.2412 5.2412 5.8832 5.8832 5.8866 5.8866 6.0963 6.0963 6.1187 6.1187 6.2294 6.2294 6.4136 6.4136 6.4849 6.4849 6.4967 6.4967 6.6209 6.6209 6.7010 6.7010 6.7247 6.7247 6.8000 6.8000 6.8091 6.8091 7.4987 7.4987 7.6876 7.6876 7.7317 7.7317 7.8748 7.8748 10.7887 10.7887 10.9255 10.9255 11.0983 11.0983 12.9110 12.9110 13.2085 13.2085 13.3177 13.3177 k = 0.4057 0.5000 0.4057 ( 2876 PWs) bands (ev): -11.5616 -11.5616 -11.1304 -11.1304 1.2221 1.2221 1.2760 1.2760 1.3019 1.3019 2.6895 2.6895 2.7231 2.7231 2.7335 2.7335 5.1865 5.1865 5.2222 5.2222 5.2518 5.2518 5.8874 5.8874 5.8915 5.8915 6.0958 6.0958 6.1232 6.1232 6.2320 6.2320 6.4109 6.4109 6.4798 6.4798 6.4955 6.4955 6.6228 6.6228 6.6991 6.6991 6.7283 6.7283 6.7940 6.7940 6.8053 6.8053 7.5056 7.5056 7.6625 7.6625 7.7091 7.7091 7.8689 7.8689 10.7820 10.7820 10.9424 10.9424 11.1479 11.1479 12.8499 12.8499 13.1958 13.1958 13.3307 13.3307 k = 0.3962 0.5000 0.3962 ( 2876 PWs) bands (ev): -11.5583 -11.5583 -11.1354 -11.1354 1.2158 1.2158 1.2801 1.2801 1.3104 1.3104 2.6852 2.6852 2.7247 2.7247 2.7369 2.7369 5.1846 5.1846 5.2275 5.2275 5.2633 5.2633 5.8916 5.8916 5.8967 5.8967 6.0951 6.0951 6.1281 6.1281 6.2349 6.2349 6.4074 6.4074 6.4735 6.4735 6.4945 6.4945 6.6249 6.6249 6.6970 6.6970 6.7321 6.7321 6.7876 6.7876 6.8014 6.8014 7.5131 7.5131 7.6362 7.6362 7.6842 7.6842 7.8640 7.8640 10.7749 10.7749 10.9615 10.9615 11.2001 11.2001 12.7895 12.7895 13.1820 13.1820 13.3454 13.3454 k = 0.3868 0.5000 0.3868 ( 2884 PWs) bands (ev): -11.5547 -11.5547 -11.1408 -11.1408 1.2095 1.2095 1.2847 1.2847 1.3196 1.3196 2.6805 2.6805 2.7261 2.7261 2.7404 2.7404 5.1824 5.1824 5.2331 5.2331 5.2758 5.2758 5.8959 5.8959 5.9021 5.9021 6.0942 6.0942 6.1332 6.1332 6.2381 6.2381 6.4028 6.4028 6.4658 6.4658 6.4936 6.4936 6.6273 6.6273 6.6947 6.6947 6.7362 6.7362 6.7808 6.7808 6.7976 6.7976 7.5207 7.5207 7.6091 7.6091 7.6575 7.6575 7.8599 7.8599 10.7676 10.7676 10.9825 10.9825 11.2536 11.2536 12.7313 12.7313 13.1672 13.1672 13.3620 13.3620 k = 0.3774 0.5000 0.3774 ( 2870 PWs) bands (ev): -11.5509 -11.5509 -11.1465 -11.1465 1.2031 1.2031 1.2899 1.2899 1.3295 1.3295 2.6756 2.6756 2.7271 2.7271 2.7440 2.7440 5.1802 5.1802 5.2390 5.2390 5.2891 5.2891 5.9003 5.9003 5.9078 5.9078 6.0934 6.0934 6.1386 6.1386 6.2418 6.2418 6.3972 6.3972 6.4568 6.4568 6.4931 6.4931 6.6301 6.6301 6.6926 6.6926 6.7405 6.7405 6.7738 6.7738 6.7944 6.7944 7.5269 7.5269 7.5830 7.5830 7.6301 7.6301 7.8565 7.8565 10.7604 10.7604 11.0055 11.0055 11.3072 11.3072 12.6770 12.6770 13.1514 13.1514 13.3807 13.3807 k = 0.3679 0.5000 0.3679 ( 2870 PWs) bands (ev): -11.5469 -11.5469 -11.1526 -11.1526 1.1968 1.1968 1.2956 1.2956 1.3401 1.3401 2.6703 2.6703 2.7277 2.7277 2.7474 2.7474 5.1776 5.1776 5.2451 5.2451 5.3033 5.3033 5.9046 5.9046 5.9135 5.9135 6.0924 6.0924 6.1442 6.1442 6.2459 6.2459 6.3901 6.3901 6.4462 6.4462 6.4929 6.4929 6.6329 6.6329 6.6904 6.6904 6.7447 6.7447 6.7666 6.7666 6.7917 6.7917 7.5252 7.5252 7.5637 7.5637 7.6030 7.6030 7.8536 7.8536 10.7535 10.7535 11.0303 11.0303 11.3590 11.3590 12.6283 12.6283 13.1347 13.1347 13.4015 13.4015 k = 0.3585 0.5000 0.3585 ( 2858 PWs) bands (ev): -11.5426 -11.5426 -11.1591 -11.1591 1.1908 1.1908 1.3019 1.3019 1.3513 1.3513 2.6648 2.6648 2.7279 2.7279 2.7507 2.7507 5.1748 5.1748 5.2512 5.2512 5.3182 5.3182 5.9087 5.9087 5.9195 5.9195 6.0913 6.0913 6.1499 6.1499 6.2505 6.2505 6.3816 6.3816 6.4344 6.4344 6.4931 6.4931 6.6359 6.6359 6.6883 6.6883 6.7486 6.7486 6.7595 6.7595 6.7901 6.7901 7.5056 7.5056 7.5565 7.5565 7.5817 7.5817 7.8512 7.8512 10.7471 10.7471 11.0569 11.0569 11.4072 11.4072 12.5875 12.5875 13.1173 13.1173 13.4245 13.4245 k = 0.3491 0.5000 0.3491 ( 2854 PWs) bands (ev): -11.5381 -11.5381 -11.1658 -11.1658 1.1850 1.1850 1.3088 1.3088 1.3632 1.3632 2.6591 2.6591 2.7274 2.7274 2.7537 2.7537 5.1717 5.1717 5.2574 5.2574 5.3339 5.3339 5.9125 5.9125 5.9254 5.9254 6.0900 6.0900 6.1557 6.1557 6.2556 6.2556 6.3712 6.3712 6.4214 6.4214 6.4938 6.4938 6.6387 6.6387 6.6863 6.6863 6.7511 6.7511 6.7523 6.7523 6.7904 6.7904 7.4771 7.4771 7.5381 7.5381 7.5812 7.5812 7.8493 7.8493 10.7412 10.7412 11.0853 11.0853 11.4492 11.4492 12.5571 12.5571 13.0991 13.0991 13.4500 13.4500 k = 0.3396 0.5000 0.3396 ( 2864 PWs) bands (ev): -11.5334 -11.5334 -11.1729 -11.1729 1.1796 1.1796 1.3164 1.3164 1.3755 1.3755 2.6532 2.6532 2.7262 2.7262 2.7564 2.7564 5.1682 5.1682 5.2635 5.2635 5.3502 5.3502 5.9159 5.9159 5.9314 5.9314 6.0886 6.0886 6.1614 6.1614 6.2610 6.2610 6.3585 6.3585 6.4075 6.4075 6.4946 6.4946 6.6413 6.6413 6.6843 6.6843 6.7448 6.7448 6.7525 6.7525 6.7929 6.7929 7.4460 7.4460 7.5126 7.5126 7.5914 7.5914 7.8476 7.8476 10.7357 10.7357 11.1153 11.1153 11.4825 11.4825 12.5396 12.5396 13.0803 13.0803 13.4779 13.4779 k = 0.3302 0.5000 0.3302 ( 2864 PWs) bands (ev): -11.5286 -11.5286 -11.1802 -11.1802 1.1747 1.1747 1.3246 1.3246 1.3884 1.3884 2.6471 2.6471 2.7243 2.7243 2.7587 2.7587 5.1647 5.1647 5.2694 5.2694 5.3671 5.3671 5.9189 5.9189 5.9373 5.9373 6.0872 6.0872 6.1670 6.1670 6.2669 6.2669 6.3434 6.3434 6.3935 6.3935 6.4958 6.4958 6.6435 6.6435 6.6825 6.6825 6.7377 6.7377 6.7522 6.7522 6.7978 6.7978 7.4141 7.4141 7.4870 7.4870 7.6043 7.6043 7.8463 7.8463 10.7309 10.7309 11.1471 11.1471 11.5048 11.5048 12.5376 12.5376 13.0610 13.0610 13.5085 13.5085 k = 0.3208 0.5000 0.3208 ( 2864 PWs) bands (ev): -11.5236 -11.5236 -11.1877 -11.1877 1.1705 1.1705 1.3335 1.3335 1.4017 1.4017 2.6408 2.6408 2.7215 2.7215 2.7605 2.7605 5.1608 5.1608 5.2751 5.2751 5.3845 5.3845 5.9214 5.9214 5.9433 5.9433 6.0857 6.0857 6.1726 6.1726 6.2730 6.2730 6.3259 6.3259 6.3798 6.3798 6.4973 6.4973 6.6454 6.6454 6.6807 6.6807 6.7309 6.7309 6.7507 6.7507 6.8047 6.8047 7.3820 7.3820 7.4622 7.4622 7.6186 7.6186 7.8455 7.8455 10.7267 10.7267 11.1805 11.1805 11.5146 11.5146 12.5525 12.5525 13.0412 13.0412 13.5420 13.5420 k = 0.3113 0.5000 0.3113 ( 2856 PWs) bands (ev): -11.5184 -11.5184 -11.1954 -11.1954 1.1671 1.1671 1.3430 1.3430 1.4154 1.4154 2.6345 2.6345 2.7177 2.7177 2.7618 2.7618 5.1567 5.1567 5.2804 5.2804 5.4024 5.4024 5.9233 5.9233 5.9491 5.9491 6.0843 6.0843 6.1780 6.1780 6.2789 6.2789 6.3065 6.3065 6.3668 6.3668 6.4991 6.4991 6.6468 6.6468 6.6788 6.6788 6.7246 6.7246 6.7484 6.7484 6.8133 6.8133 7.3501 7.3501 7.4388 7.4388 7.6339 7.6339 7.8450 7.8450 10.7230 10.7230 11.2155 11.2155 11.5116 11.5116 12.5846 12.5846 13.0211 13.0211 13.5783 13.5783 k = 0.3019 0.5000 0.3019 ( 2852 PWs) bands (ev): -11.5131 -11.5131 -11.2034 -11.2034 1.1645 1.1645 1.3533 1.3533 1.4296 1.4296 2.6280 2.6280 2.7128 2.7128 2.7625 2.7625 5.1524 5.1524 5.2851 5.2851 5.4207 5.4207 5.9247 5.9247 5.9547 5.9547 6.0828 6.0828 6.1832 6.1832 6.2781 6.2781 6.2920 6.2920 6.3547 6.3547 6.5010 6.5010 6.6476 6.6476 6.6765 6.6765 6.7189 6.7189 6.7457 6.7457 6.8231 6.8231 7.3187 7.3187 7.4168 7.4168 7.6498 7.6498 7.8450 7.8450 10.7198 10.7198 11.2521 11.2521 11.4970 11.4970 12.6329 12.6329 13.0008 13.0008 13.6177 13.6177 k = 0.2925 0.5000 0.2925 ( 2852 PWs) bands (ev): -11.5077 -11.5077 -11.2114 -11.2114 1.1628 1.1628 1.3642 1.3642 1.4440 1.4440 2.6215 2.6215 2.7068 2.7068 2.7625 2.7625 5.1479 5.1479 5.2891 5.2891 5.4392 5.4392 5.9255 5.9255 5.9597 5.9597 6.0814 6.0814 6.1878 6.1878 6.2584 6.2584 6.2948 6.2948 6.3438 6.3438 6.5030 6.5030 6.6479 6.6479 6.6737 6.6737 6.7138 6.7138 6.7427 6.7427 6.8340 6.8340 7.2879 7.2879 7.3963 7.3963 7.6663 7.6663 7.8453 7.8453 10.7171 10.7171 11.2902 11.2902 11.4728 11.4728 12.6953 12.6953 12.9802 12.9802 13.6602 13.6602 k = 0.2830 0.5000 0.2830 ( 2850 PWs) bands (ev): -11.5023 -11.5023 -11.2196 -11.2196 1.1621 1.1621 1.3758 1.3758 1.4587 1.4587 2.6150 2.6150 2.6995 2.6995 2.7619 2.7619 5.1432 5.1432 5.2922 5.2922 5.4580 5.4580 5.9257 5.9257 5.9642 5.9642 6.0802 6.0802 6.1914 6.1914 6.2359 6.2359 6.2985 6.2985 6.3356 6.3356 6.5051 6.5051 6.6475 6.6475 6.6703 6.6703 6.7094 6.7094 6.7396 6.7396 6.8458 6.8458 7.2579 7.2579 7.3773 7.3773 7.6833 7.6833 7.8462 7.8462 10.7147 10.7147 11.3295 11.3295 11.4415 11.4415 12.7697 12.7697 12.9596 12.9596 13.7059 13.7059 k = 0.2736 0.5000 0.2736 ( 2850 PWs) bands (ev): -11.4967 -11.4967 -11.2279 -11.2279 1.1624 1.1624 1.3882 1.3882 1.4737 1.4737 2.6084 2.6084 2.6909 2.6909 2.7604 2.7604 5.1382 5.1382 5.2942 5.2942 5.4770 5.4770 5.9253 5.9253 5.9678 5.9678 6.0793 6.0793 6.1913 6.1913 6.2166 6.2166 6.2982 6.2982 6.3325 6.3325 6.5072 6.5072 6.6462 6.6462 6.6668 6.6668 6.7054 6.7054 6.7364 6.7364 6.8583 6.8583 7.2288 7.2288 7.3599 7.3599 7.7006 7.7006 7.8475 7.8475 10.7126 10.7126 11.3677 11.3677 11.4073 11.4073 12.8539 12.8539 12.9391 12.9391 13.7548 13.7548 k = 0.2642 0.5000 0.2642 ( 2866 PWs) bands (ev): -11.4912 -11.4912 -11.2362 -11.2362 1.1639 1.1639 1.4012 1.4012 1.4887 1.4887 2.6019 2.6019 2.6808 2.6808 2.7581 2.7581 5.1330 5.1330 5.2949 5.2949 5.4960 5.4960 5.9244 5.9244 5.9702 5.9702 6.0786 6.0786 6.1794 6.1794 6.2091 6.2091 6.2929 6.2929 6.3351 6.3351 6.5094 6.5094 6.6437 6.6437 6.6637 6.6637 6.7014 6.7014 6.7330 6.7330 6.8715 6.8715 7.2009 7.2009 7.3440 7.3440 7.7180 7.7180 7.8493 7.8493 10.7108 10.7108 11.3588 11.3588 11.4180 11.4180 12.9186 12.9186 12.9462 12.9462 13.8071 13.8071 k = 0.2547 0.5000 0.2547 ( 2872 PWs) bands (ev): -11.4856 -11.4856 -11.2446 -11.2446 1.1667 1.1667 1.4150 1.4150 1.5039 1.5039 2.5954 2.5954 2.6692 2.6692 2.7550 2.7550 5.1276 5.1276 5.2942 5.2942 5.5151 5.5151 5.9231 5.9231 5.9712 5.9712 6.0785 6.0785 6.1607 6.1607 6.2097 6.2097 6.2852 6.2852 6.3411 6.3411 6.5114 6.5114 6.6398 6.6398 6.6616 6.6616 6.6973 6.6973 6.7295 6.7295 6.8852 6.8852 7.1741 7.1741 7.3296 7.3296 7.7356 7.7356 7.8518 7.8518 10.7091 10.7091 11.3174 11.3174 11.4606 11.4606 12.8984 12.8984 13.0451 13.0451 13.8628 13.8628 k = 0.2453 0.5000 0.2453 ( 2868 PWs) bands (ev): -11.4799 -11.4799 -11.2529 -11.2529 1.1708 1.1708 1.4294 1.4294 1.5192 1.5192 2.5889 2.5889 2.6560 2.6560 2.7510 2.7510 5.1222 5.1222 5.2920 5.2920 5.5341 5.5341 5.9213 5.9213 5.9705 5.9705 6.0791 6.0791 6.1426 6.1426 6.2112 6.2112 6.2775 6.2775 6.3484 6.3484 6.5135 6.5135 6.6346 6.6346 6.6606 6.6606 6.6929 6.6929 6.7258 6.7258 6.8992 6.8992 7.1486 7.1486 7.3168 7.3168 7.7533 7.7533 7.8549 7.8549 10.7075 10.7075 11.2735 11.2735 11.5058 11.5058 12.8784 12.8784 13.1496 13.1496 13.9218 13.9218 k = 0.2358 0.5000 0.2358 ( 2860 PWs) bands (ev): -11.4743 -11.4743 -11.2613 -11.2613 1.1763 1.1763 1.4445 1.4445 1.5346 1.5346 2.5825 2.5825 2.6411 2.6411 2.7461 2.7461 5.1166 5.1166 5.2879 5.2879 5.5531 5.5531 5.9192 5.9192 5.9678 5.9678 6.0802 6.0802 6.1270 6.1270 6.2120 6.2120 6.2710 6.2710 6.3561 6.3561 6.5156 6.5156 6.6287 6.6287 6.6602 6.6602 6.6884 6.6884 6.7218 6.7218 6.9135 6.9135 7.1245 7.1245 7.3054 7.3054 7.7709 7.7709 7.8587 7.8587 10.7059 10.7059 11.2292 11.2292 11.5527 11.5527 12.8589 12.8589 13.2587 13.2587 13.9842 13.9842 k = 0.2264 0.5000 0.2264 ( 2864 PWs) bands (ev): -11.4687 -11.4687 -11.2696 -11.2696 1.1831 1.1831 1.4602 1.4602 1.5499 1.5499 2.5762 2.5762 2.6245 2.6245 2.7402 2.7402 5.1109 5.1109 5.2820 5.2820 5.5718 5.5718 5.9165 5.9165 5.9633 5.9633 6.0816 6.0816 6.1145 6.1145 6.2114 6.2114 6.2665 6.2665 6.3637 6.3637 6.5174 6.5174 6.6222 6.6222 6.6595 6.6595 6.6840 6.6840 6.7176 6.7176 6.9274 6.9274 7.1021 7.1021 7.2952 7.2952 7.7883 7.7883 7.8631 7.8631 10.7043 10.7043 11.1850 11.1850 11.6008 11.6008 12.8398 12.8398 13.3718 13.3718 14.0499 14.0499 k = 0.2170 0.5000 0.2170 ( 2864 PWs) bands (ev): -11.4632 -11.4632 -11.2778 -11.2778 1.1914 1.1914 1.4765 1.4765 1.5651 1.5651 2.5701 2.5701 2.6061 2.6061 2.7335 2.7335 5.1051 5.1051 5.2742 5.2742 5.5903 5.5903 5.9137 5.9137 5.9575 5.9575 6.0832 6.0832 6.1053 6.1053 6.2093 6.2093 6.2643 6.2643 6.3711 6.3711 6.5191 6.5191 6.6156 6.6156 6.6575 6.6575 6.6807 6.6807 6.7130 6.7130 6.9405 6.9405 7.0817 7.0817 7.2862 7.2862 7.8054 7.8054 7.8682 7.8682 10.7027 10.7027 11.1416 11.1416 11.6502 11.6502 12.8212 12.8212 13.4883 13.4883 14.1188 14.1188 k = 0.2075 0.5000 0.2075 ( 2866 PWs) bands (ev): -11.4577 -11.4577 -11.2859 -11.2859 1.2013 1.2013 1.4934 1.4934 1.5802 1.5802 2.5640 2.5640 2.5860 2.5860 2.7258 2.7258 5.0992 5.0992 5.2646 5.2646 5.6085 5.6085 5.9106 5.9106 5.9511 5.9511 6.0843 6.0843 6.0993 6.0993 6.2065 6.2065 6.2640 6.2640 6.3780 6.3780 6.5206 6.5206 6.6088 6.6088 6.6534 6.6534 6.6792 6.6792 6.7081 6.7081 6.9517 6.9517 7.0644 7.0644 7.2784 7.2784 7.8222 7.8222 7.8741 7.8741 10.7009 10.7009 11.0995 11.0995 11.7008 11.7008 12.8032 12.8032 13.6078 13.6078 14.1908 14.1908 k = 0.1981 0.5000 0.1981 ( 2862 PWs) bands (ev): -11.4524 -11.4524 -11.2938 -11.2938 1.2126 1.2126 1.5109 1.5109 1.5950 1.5950 2.5578 2.5578 2.5644 2.5644 2.7173 2.7173 5.0933 5.0933 5.2531 5.2531 5.6264 5.6264 5.9071 5.9071 5.9450 5.9450 6.0843 6.0843 6.0965 6.0965 6.2038 6.2038 6.2653 6.2653 6.3844 6.3844 6.5219 6.5219 6.6022 6.6022 6.6471 6.6471 6.6791 6.6791 6.7035 6.7035 6.9591 6.9591 7.0519 7.0519 7.2715 7.2715 7.8385 7.8385 7.8808 7.8808 10.6990 10.6990 11.0587 11.0587 11.7523 11.7523 12.7859 12.7859 13.7299 13.7299 14.2658 14.2658 k = 0.1887 0.5000 0.1887 ( 2864 PWs) bands (ev): -11.4471 -11.4471 -11.3016 -11.3016 1.2256 1.2256 1.5288 1.5288 1.6096 1.6096 2.5398 2.5398 2.5528 2.5528 2.7078 2.7078 5.0873 5.0873 5.2400 5.2400 5.6438 5.6438 5.9032 5.9032 5.9398 5.9398 6.0831 6.0831 6.0958 6.0958 6.2020 6.2020 6.2675 6.2675 6.3901 6.3901 6.5229 6.5229 6.5957 6.5957 6.6392 6.6392 6.6789 6.6789 6.6999 6.6999 6.9600 6.9600 7.0467 7.0467 7.2655 7.2655 7.8541 7.8541 7.8883 7.8883 10.6969 10.6969 11.0197 11.0197 11.8048 11.8048 12.7694 12.7694 13.8543 13.8543 14.3436 14.3436 k = 0.1792 0.5000 0.1792 ( 2864 PWs) bands (ev): -11.4420 -11.4420 -11.3092 -11.3092 1.2401 1.2401 1.5471 1.5471 1.6239 1.6239 2.5143 2.5143 2.5472 2.5472 2.6976 2.6976 5.0814 5.0814 5.2257 5.2257 5.6608 5.6608 5.8989 5.8989 5.9361 5.9361 6.0814 6.0814 6.0962 6.0962 6.2017 6.2017 6.2702 6.2702 6.3950 6.3950 6.5237 6.5237 6.5893 6.5893 6.6303 6.6303 6.6764 6.6764 6.6990 6.6990 6.9537 6.9537 7.0494 7.0494 7.2602 7.2602 7.8690 7.8690 7.8967 7.8967 10.6947 10.6947 10.9824 10.9824 11.8581 11.8581 12.7537 12.7537 13.9806 13.9806 14.4241 14.4241 k = 0.1698 0.5000 0.1698 ( 2856 PWs) bands (ev): -11.4370 -11.4370 -11.3165 -11.3165 1.2562 1.2562 1.5659 1.5659 1.6379 1.6379 2.4870 2.4870 2.5418 2.5418 2.6865 2.6865 5.0755 5.0755 5.2102 5.2102 5.6773 5.6773 5.8944 5.8944 5.9342 5.9342 6.0793 6.0793 6.0972 6.0972 6.2033 6.2033 6.2734 6.2734 6.3993 6.3993 6.5241 6.5241 6.5832 6.5832 6.6208 6.6208 6.6711 6.6711 6.7011 6.7011 6.9424 6.9424 7.0579 7.0579 7.2556 7.2556 7.8831 7.8831 7.9061 7.9061 10.6924 10.6924 10.9472 10.9472 11.9120 11.9120 12.7388 12.7388 14.1087 14.1087 14.5069 14.5069 k = 0.1604 0.5000 0.1604 ( 2856 PWs) bands (ev): -11.4322 -11.4322 -11.3236 -11.3236 1.2740 1.2740 1.5849 1.5849 1.6514 1.6514 2.4578 2.4578 2.5367 2.5367 2.6747 2.6747 5.0697 5.0697 5.1939 5.1939 5.6932 5.6932 5.8896 5.8896 5.9339 5.9339 6.0764 6.0764 6.0990 6.0990 6.2066 6.2066 6.2766 6.2766 6.4028 6.4028 6.5238 6.5238 6.5774 6.5774 6.6108 6.6108 6.6639 6.6639 6.7051 6.7051 6.9286 6.9286 7.0694 7.0694 7.2515 7.2515 7.8963 7.8963 7.9163 7.9163 10.6898 10.6898 10.9140 10.9140 11.9663 11.9663 12.7248 12.7248 14.2382 14.2382 14.5919 14.5919 k = 0.1509 0.5000 0.1509 ( 2860 PWs) bands (ev): -11.4275 -11.4275 -11.3305 -11.3305 1.2934 1.2934 1.6041 1.6041 1.6645 1.6645 2.4270 2.4270 2.5318 2.5318 2.6622 2.6622 5.0639 5.0639 5.1771 5.1771 5.7085 5.7085 5.8847 5.8847 5.9351 5.9351 6.0727 6.0727 6.1019 6.1019 6.2114 6.2114 6.2800 6.2800 6.4055 6.4055 6.5227 6.5227 6.5718 6.5718 6.6007 6.6007 6.6556 6.6556 6.7100 6.7100 6.9139 6.9139 7.0822 7.0822 7.2478 7.2478 7.9085 7.9085 7.9272 7.9272 10.6872 10.6872 10.8829 10.8829 12.0209 12.0209 12.7117 12.7117 14.3689 14.3689 14.6786 14.6786 k = 0.1415 0.5000 0.1415 ( 2860 PWs) bands (ev): -11.4231 -11.4231 -11.3370 -11.3370 1.3143 1.3143 1.6235 1.6235 1.6770 1.6770 2.3946 2.3946 2.5272 2.5272 2.6492 2.6492 5.0583 5.0583 5.1602 5.1602 5.7232 5.7232 5.8799 5.8799 5.9378 5.9378 6.0682 6.0682 6.1059 6.1059 6.2174 6.2174 6.2835 6.2835 6.4075 6.4075 6.5205 6.5205 6.5669 6.5669 6.5909 6.5909 6.6466 6.6466 6.7154 6.7154 6.8990 6.8990 7.0955 7.0955 7.2445 7.2445 7.9200 7.9200 7.9385 7.9385 10.6845 10.6845 10.8539 10.8539 12.0755 12.0755 12.6996 12.6996 14.5004 14.5004 14.7668 14.7668 k = 0.1321 0.5000 0.1321 ( 2860 PWs) bands (ev): -11.4188 -11.4188 -11.3432 -11.3432 1.3369 1.3369 1.6428 1.6428 1.6890 1.6890 2.3607 2.3607 2.5228 2.5228 2.6357 2.6357 5.0528 5.0528 5.1433 5.1433 5.7372 5.7372 5.8753 5.8753 5.9416 5.9416 6.0632 6.0632 6.1110 6.1110 6.2241 6.2241 6.2871 6.2871 6.4088 6.4088 6.5167 6.5167 6.5627 6.5627 6.5816 6.5816 6.6371 6.6371 6.7211 6.7211 6.8845 6.8845 7.1088 7.1088 7.2416 7.2416 7.9312 7.9312 7.9499 7.9499 10.6817 10.6817 10.8270 10.8270 12.1298 12.1298 12.6884 12.6884 14.6326 14.6326 14.8561 14.8561 k = 0.1226 0.5000 0.1226 ( 2852 PWs) bands (ev): -11.4148 -11.4148 -11.3491 -11.3491 1.3611 1.3611 1.6621 1.6621 1.7005 1.7005 2.3254 2.3254 2.5187 2.5187 2.6219 2.6219 5.0476 5.0476 5.1269 5.1269 5.7506 5.7506 5.8710 5.8710 5.9465 5.9465 6.0580 6.0580 6.1173 6.1173 6.2313 6.2313 6.2910 6.2910 6.4095 6.4095 6.5109 6.5109 6.5592 6.5592 6.5731 6.5731 6.6275 6.6275 6.7268 6.7268 6.8705 6.8705 7.1218 7.1218 7.2390 7.2390 7.9421 7.9421 7.9609 7.9609 10.6788 10.6788 10.8022 10.8022 12.1836 12.1836 12.6783 12.6783 14.7650 14.7650 14.9459 14.9459 k = 0.1132 0.5000 0.1132 ( 2848 PWs) bands (ev): -11.4110 -11.4110 -11.3547 -11.3547 1.3868 1.3868 1.6812 1.6812 1.7112 1.7112 2.2888 2.2888 2.5149 2.5149 2.6078 2.6078 5.0426 5.0426 5.1112 5.1112 5.7631 5.7631 5.8667 5.8667 5.9522 5.9522 6.0527 6.0527 6.1245 6.1245 6.2387 6.2387 6.2951 6.2951 6.4096 6.4096 6.5030 6.5030 6.5563 6.5563 6.5657 6.5657 6.6178 6.6178 6.7325 6.7325 6.8571 6.8571 7.1343 7.1343 7.2366 7.2366 7.9527 7.9527 7.9715 7.9715 10.6760 10.6760 10.7796 10.7796 12.2364 12.2364 12.6691 12.6691 14.8973 14.8973 15.0358 15.0358 k = 0.1038 0.5000 0.1038 ( 2848 PWs) bands (ev): -11.4075 -11.4075 -11.3598 -11.3598 1.4141 1.4141 1.6998 1.6998 1.7214 1.7214 2.2510 2.2510 2.5113 2.5113 2.5937 2.5937 5.0378 5.0378 5.0962 5.0962 5.7748 5.7748 5.8626 5.8626 5.9584 5.9584 6.0475 6.0475 6.1327 6.1327 6.2457 6.2457 6.2995 6.2995 6.4092 6.4092 6.4934 6.4934 6.5525 6.5525 6.5605 6.5605 6.6083 6.6083 6.7379 6.7379 6.8444 6.8444 7.1462 7.1462 7.2343 7.2343 7.9631 7.9631 7.9814 7.9814 10.6732 10.6732 10.7589 10.7589 12.2880 12.2880 12.6609 12.6609 15.0289 15.0289 15.1252 15.1252 k = 0.0943 0.5000 0.0943 ( 2856 PWs) bands (ev): -11.4042 -11.4042 -11.3646 -11.3646 1.4428 1.4428 1.7178 1.7178 1.7309 1.7309 2.2123 2.2123 2.5080 2.5080 2.5796 2.5796 5.0334 5.0334 5.0822 5.0822 5.7856 5.7856 5.8589 5.8589 5.9650 5.9650 6.0426 6.0426 6.1416 6.1416 6.2520 6.2520 6.3044 6.3044 6.4082 6.4082 6.4824 6.4824 6.5464 6.5464 6.5582 6.5582 6.5992 6.5992 6.7431 6.7431 6.8326 6.8326 7.1574 7.1574 7.2322 7.2322 7.9732 7.9732 7.9906 7.9906 10.6705 10.6705 10.7404 10.7404 12.3378 12.3378 12.6536 12.6536 15.1592 15.1592 15.2135 15.2135 k = 0.0849 0.5000 0.0849 ( 2856 PWs) bands (ev): -11.4012 -11.4012 -11.3690 -11.3690 1.4730 1.4730 1.7343 1.7343 1.7404 1.7404 2.1727 2.1727 2.5050 2.5050 2.5658 2.5658 5.0292 5.0292 5.0692 5.0692 5.7955 5.7955 5.8554 5.8554 5.9717 5.9717 6.0380 6.0380 6.1515 6.1515 6.2576 6.2576 6.3099 6.3099 6.4068 6.4068 6.4710 6.4710 6.5391 6.5391 6.5574 6.5574 6.5910 6.5910 6.7480 6.7480 6.8217 6.8217 7.1678 7.1678 7.2303 7.2303 7.9828 7.9828 7.9990 7.9990 10.6679 10.6679 10.7237 10.7237 12.3854 12.3854 12.6472 12.6472 15.2863 15.2863 15.3010 15.3010 k = 0.0755 0.5000 0.0755 ( 2852 PWs) bands (ev): -11.3986 -11.3986 -11.3729 -11.3729 1.5046 1.5046 1.7455 1.7455 1.7534 1.7534 2.1324 2.1324 2.5023 2.5023 2.5526 2.5526 5.0254 5.0254 5.0574 5.0574 5.8046 5.8046 5.8523 5.8523 5.9785 5.9785 6.0338 6.0338 6.1621 6.1621 6.2622 6.2622 6.3160 6.3160 6.4046 6.4046 6.4598 6.4598 6.5308 6.5308 6.5573 6.5573 6.5839 6.5839 6.7526 6.7526 6.8118 6.8118 7.1773 7.1773 7.2286 7.2286 7.9919 7.9919 8.0066 8.0066 10.6654 10.6654 10.7091 10.7091 12.4303 12.4303 12.6417 12.6417 15.3811 15.3811 15.4149 15.4149 k = 0.0660 0.5000 0.0660 ( 2856 PWs) bands (ev): -11.3961 -11.3961 -11.3765 -11.3765 1.5374 1.5374 1.7530 1.7530 1.7683 1.7683 2.0916 2.0916 2.4999 2.4999 2.5400 2.5400 5.0219 5.0219 5.0469 5.0469 5.8127 5.8127 5.8495 5.8495 5.9851 5.9851 6.0300 6.0300 6.1733 6.1733 6.2656 6.2656 6.3224 6.3224 6.4014 6.4014 6.4496 6.4496 6.5218 6.5218 6.5573 6.5573 6.5778 6.5778 6.7566 6.7566 6.8028 6.8028 7.1858 7.1858 7.2270 7.2270 8.0004 8.0004 8.0132 8.0132 10.6631 10.6631 10.6962 10.6962 12.4718 12.4718 12.6370 12.6370 15.4602 15.4602 15.5362 15.5362 k = 0.0566 0.5000 0.0566 ( 2856 PWs) bands (ev): -11.3940 -11.3940 -11.3795 -11.3795 1.5715 1.5715 1.7592 1.7592 1.7822 1.7822 2.0504 2.0504 2.4979 2.4979 2.5284 2.5284 5.0189 5.0189 5.0377 5.0377 5.8198 5.8198 5.8469 5.8469 5.9913 5.9913 6.0266 6.0266 6.1850 6.1850 6.2680 6.2680 6.3289 6.3289 6.3965 6.3965 6.4418 6.4418 6.5121 6.5121 6.5575 6.5575 6.5730 6.5730 6.7602 6.7602 6.7950 6.7950 7.1933 7.1933 7.2255 7.2255 8.0081 8.0081 8.0191 8.0191 10.6611 10.6611 10.6852 10.6852 12.5095 12.5095 12.6330 12.6330 15.5336 15.5336 15.6521 15.6521 k = 0.0472 0.5000 0.0472 ( 2860 PWs) bands (ev): -11.3923 -11.3923 -11.3822 -11.3822 1.6067 1.6067 1.7644 1.7644 1.7946 1.7946 2.0090 2.0090 2.4961 2.4961 2.5180 2.5180 5.0162 5.0162 5.0298 5.0298 5.8258 5.8258 5.8448 5.8448 5.9969 5.9969 6.0236 6.0236 6.1970 6.1970 6.2691 6.2691 6.3351 6.3351 6.3896 6.3896 6.4371 6.4371 6.5019 6.5019 6.5578 6.5578 6.5691 6.5691 6.7633 6.7633 6.7882 6.7882 7.1998 7.1998 7.2242 7.2242 8.0149 8.0149 8.0239 8.0239 10.6593 10.6593 10.6760 10.6760 12.5426 12.5426 12.6298 12.6298 15.6001 15.6001 15.7602 15.7602 k = 0.0377 0.5000 0.0377 ( 2856 PWs) bands (ev): -11.3908 -11.3908 -11.3843 -11.3843 1.6430 1.6430 1.7687 1.7687 1.8052 1.8052 1.9677 1.9677 2.4947 2.4947 2.5091 2.5091 5.0141 5.0141 5.0233 5.0233 5.8308 5.8308 5.8430 5.8430 6.0019 6.0019 6.0212 6.0212 6.2092 6.2092 6.2690 6.2690 6.3408 6.3408 6.3814 6.3814 6.4357 6.4357 6.4916 6.4916 6.5582 6.5582 6.5662 6.5662 6.7659 6.7659 6.7826 6.7826 7.2053 7.2053 7.2231 7.2231 8.0207 8.0207 8.0279 8.0279 10.6578 10.6578 10.6685 10.6685 12.5707 12.5707 12.6273 12.6273 15.6579 15.6579 15.8426 15.8427 k = 0.0283 0.5000 0.0283 ( 2862 PWs) bands (ev): -11.3896 -11.3896 -11.3860 -11.3860 1.6799 1.6799 1.7721 1.7721 1.8137 1.8137 1.9267 1.9267 2.4935 2.4935 2.5019 2.5019 5.0125 5.0125 5.0182 5.0182 5.8346 5.8346 5.8416 5.8416 6.0061 6.0061 6.0190 6.0190 6.2211 6.2211 6.2675 6.2675 6.3456 6.3456 6.3729 6.3729 6.4370 6.4370 6.4812 6.4812 6.5586 6.5586 6.5640 6.5640 6.7679 6.7679 6.7781 6.7781 7.2098 7.2098 7.2220 7.2220 8.0255 8.0255 8.0308 8.0308 10.6566 10.6566 10.6627 10.6627 12.5932 12.5932 12.6254 12.6254 15.7054 15.7054 15.8126 15.8126 k = 0.0189 0.5000 0.0189 ( 2862 PWs) bands (ev): -11.3888 -11.3888 -11.3872 -11.3872 1.7172 1.7172 1.7744 1.7744 1.8199 1.8199 1.8865 1.8865 2.4927 2.4927 2.4965 2.4965 5.0113 5.0113 5.0145 5.0145 5.8374 5.8374 5.8406 5.8406 6.0094 6.0094 6.0173 6.0173 6.2325 6.2325 6.2643 6.2643 6.3495 6.3495 6.3654 6.3654 6.4407 6.4407 6.4713 6.4713 6.5590 6.5590 6.5623 6.5623 6.7694 6.7694 6.7749 6.7749 7.2134 7.2134 7.2208 7.2208 8.0292 8.0292 8.0327 8.0327 10.6557 10.6557 10.6586 10.6586 12.6096 12.6096 12.6240 12.6240 15.7408 15.7408 15.7891 15.7891 k = 0.0094 0.5000 0.0094 ( 2874 PWs) bands (ev): -11.3883 -11.3883 -11.3879 -11.3879 1.7532 1.7532 1.7759 1.7759 1.8238 1.8238 1.8488 1.8488 2.4922 2.4922 2.4932 2.4932 5.0107 5.0107 5.0121 5.0121 5.8391 5.8391 5.8398 5.8398 6.0120 6.0120 6.0156 6.0156 6.2429 6.2429 6.2590 6.2590 6.3526 6.3526 6.3595 6.3595 6.4463 6.4463 6.4619 6.4619 6.5595 6.5595 6.5610 6.5610 6.7704 6.7704 6.7726 6.7726 7.2160 7.2160 7.2195 7.2195 8.0317 8.0317 8.0334 8.0334 10.6552 10.6552 10.6561 10.6561 12.6196 12.6196 12.6232 12.6232 15.7627 15.7627 15.7749 15.7749 k = 0.0000 0.5000-0.0000 ( 2874 PWs) bands (ev): -11.3882 -11.3882 -11.3882 -11.3882 1.7757 1.7757 1.7757 1.7757 1.8257 1.8257 1.8257 1.8257 2.4920 2.4920 2.4920 2.4920 5.0110 5.0110 5.0110 5.0110 5.8396 5.8396 5.8396 5.8396 6.0139 6.0139 6.0139 6.0139 6.2519 6.2519 6.2519 6.2519 6.3556 6.3556 6.3556 6.3556 6.4535 6.4535 6.4535 6.4535 6.5601 6.5601 6.5601 6.5601 6.7714 6.7714 6.7714 6.7714 7.2180 7.2180 7.2180 7.2180 8.0331 8.0331 8.0331 8.0331 10.6552 10.6552 10.6552 10.6552 12.6230 12.6230 12.6230 12.6230 15.7701 15.7701 15.7701 15.7701 k = 0.5000 0.5000-0.0000 ( 2832 PWs) bands (ev): -11.3663 -11.3663 -11.3663 -11.3663 1.0396 1.0396 1.0396 1.0396 2.2069 2.2069 2.2069 2.2069 2.8498 2.8498 2.8498 2.8498 5.4206 5.4206 5.4206 5.4206 5.6530 5.6530 5.6530 5.6530 6.0704 6.0704 6.0704 6.0704 6.1728 6.1728 6.1728 6.1728 6.2424 6.2424 6.2424 6.2424 6.5076 6.5076 6.5076 6.5076 6.5563 6.5563 6.5563 6.5563 6.9413 6.9413 6.9413 6.9413 7.2067 7.2067 7.2067 7.2067 7.7746 7.7746 7.7746 7.7746 10.3156 10.3156 10.3156 10.3156 12.2382 12.2382 12.2382 12.2382 15.1815 15.1815 15.1815 15.1815 k = 0.5000 0.5000 0.0135 ( 2840 PWs) bands (ev): -11.3762 -11.3762 -11.3564 -11.3564 1.0399 1.0399 1.0401 1.0401 2.1763 2.1763 2.2366 2.2366 2.8495 2.8495 2.8495 2.8495 5.4199 5.4199 5.4200 5.4200 5.6281 5.6281 5.6775 5.6775 6.0616 6.0616 6.0800 6.0800 6.1714 6.1714 6.1743 6.1743 6.2351 6.2351 6.2502 6.2502 6.5048 6.5048 6.5097 6.5097 6.5519 6.5519 6.5625 6.5625 6.9358 6.9358 6.9455 6.9455 7.2063 7.2063 7.2087 7.2087 7.7697 7.7697 7.7791 7.7791 10.2612 10.2612 10.3745 10.3745 12.2357 12.2357 12.2381 12.2381 15.1597 15.1597 15.1668 15.1668 k = 0.5000 0.5000 0.0270 ( 2848 PWs) bands (ev): -11.3860 -11.3860 -11.3463 -11.3463 1.0408 1.0408 1.0412 1.0412 2.1448 2.1448 2.2652 2.2652 2.8487 2.8487 2.8488 2.8488 5.4178 5.4178 5.4182 5.4182 5.6032 5.6032 5.7018 5.7018 6.0537 6.0537 6.0904 6.0904 6.1706 6.1706 6.1751 6.1751 6.2292 6.2292 6.2581 6.2581 6.5017 6.5017 6.5106 6.5106 6.5500 6.5500 6.5700 6.5700 6.9292 6.9292 6.9484 6.9484 7.2077 7.2077 7.2120 7.2120 7.7643 7.7643 7.7831 7.7831 10.2115 10.2115 10.4376 10.4376 12.2306 12.2306 12.2354 12.2354 15.1048 15.1048 15.1180 15.1180 k = 0.5000 0.5000 0.0405 ( 2848 PWs) bands (ev): -11.3957 -11.3957 -11.3362 -11.3362 1.0426 1.0426 1.0431 1.0431 2.1126 2.1126 2.2930 2.2930 2.8474 2.8474 2.8476 2.8476 5.4146 5.4146 5.4152 5.4152 5.5785 5.5785 5.7254 5.7254 6.0466 6.0466 6.1014 6.1014 6.1708 6.1708 6.1745 6.1745 6.2257 6.2257 6.2657 6.2657 6.4986 6.4986 6.5104 6.5104 6.5508 6.5508 6.5785 6.5785 6.9215 6.9215 6.9497 6.9497 7.2109 7.2109 7.2168 7.2168 7.7583 7.7583 7.7868 7.7868 10.1667 10.1667 10.5047 10.5047 12.2228 12.2228 12.2300 12.2300 15.0248 15.0248 15.0423 15.0423 k = 0.5000 0.5000 0.0541 ( 2848 PWs) bands (ev): -11.4052 -11.4052 -11.3261 -11.3261 1.0450 1.0450 1.0458 1.0458 2.0797 2.0797 2.3198 2.3198 2.8457 2.8457 2.8459 2.8459 5.4103 5.4103 5.4111 5.4111 5.5542 5.5542 5.7482 5.7482 6.0403 6.0403 6.1124 6.1124 6.1717 6.1717 6.1725 6.1725 6.2254 6.2254 6.2727 6.2727 6.4955 6.4955 6.5094 6.5094 6.5540 6.5540 6.5877 6.5877 6.9130 6.9130 6.9496 6.9496 7.2159 7.2159 7.2228 7.2228 7.7518 7.7518 7.7903 7.7903 10.1271 10.1271 10.5755 10.5755 12.2123 12.2123 12.2219 12.2219 14.9276 14.9276 14.9482 14.9482 k = 0.5000 0.5000 0.0676 ( 2844 PWs) bands (ev): -11.4146 -11.4146 -11.3160 -11.3160 1.0481 1.0481 1.0491 1.0491 2.0462 2.0462 2.3456 2.3456 2.8434 2.8434 2.8437 2.8437 5.4049 5.4049 5.4060 5.4060 5.5304 5.5304 5.7700 5.7700 6.0346 6.0346 6.1227 6.1227 6.1669 6.1669 6.1764 6.1764 6.2283 6.2283 6.2790 6.2790 6.4926 6.4926 6.5086 6.5086 6.5591 6.5591 6.5973 6.5973 6.9038 6.9038 6.9479 6.9479 7.2230 7.2230 7.2300 7.2300 7.7446 7.7446 7.7936 7.7936 10.0929 10.0929 10.6498 10.6498 12.1989 12.1989 12.2110 12.2110 14.8202 14.8202 14.8426 14.8426 k = 0.5000 0.5000 0.0811 ( 2840 PWs) bands (ev): -11.4238 -11.4238 -11.3058 -11.3058 1.0519 1.0519 1.0531 1.0531 2.0121 2.0121 2.3703 2.3703 2.8408 2.8408 2.8411 2.8411 5.3985 5.3985 5.4000 5.4000 5.5073 5.5073 5.7905 5.7905 6.0292 6.0292 6.1314 6.1314 6.1606 6.1606 6.1832 6.1832 6.2338 6.2338 6.2843 6.2843 6.4899 6.4899 6.5084 6.5084 6.5655 6.5655 6.6073 6.6073 6.8938 6.8938 6.9447 6.9447 7.2320 7.2320 7.2384 7.2384 7.7368 7.7368 7.7967 7.7967 10.0643 10.0643 10.7273 10.7273 12.1825 12.1825 12.1970 12.1970 14.7075 14.7075 14.7310 14.7310 k = 0.5000 0.5000 0.0946 ( 2856 PWs) bands (ev): -11.4328 -11.4328 -11.2957 -11.2957 1.0564 1.0564 1.0578 1.0578 1.9775 1.9775 2.3940 2.3940 2.8377 2.8377 2.8379 2.8379 5.3911 5.3911 5.3930 5.3930 5.4847 5.4847 5.8094 5.8094 6.0239 6.0239 6.1377 6.1377 6.1535 6.1535 6.1932 6.1932 6.2410 6.2410 6.2885 6.2885 6.4873 6.4873 6.5091 6.5091 6.5729 6.5729 6.6175 6.6175 6.8833 6.8833 6.9401 6.9401 7.2428 7.2428 7.2478 7.2478 7.7281 7.7281 7.7997 7.7997 10.0413 10.0413 10.8077 10.8077 12.1627 12.1627 12.1799 12.1799 14.5931 14.5931 14.6170 14.6170 k = 0.5000 0.5000 0.1081 ( 2856 PWs) bands (ev): -11.4417 -11.4417 -11.2856 -11.2856 1.0615 1.0615 1.0631 1.0631 1.9426 1.9426 2.4167 2.4167 2.8342 2.8342 2.8344 2.8344 5.3830 5.3830 5.3855 5.3855 5.4632 5.4632 5.8269 5.8269 6.0188 6.0188 6.1420 6.1420 6.1465 6.1465 6.2060 6.2060 6.2496 6.2496 6.2920 6.2920 6.4851 6.4851 6.5112 6.5112 6.5813 6.5813 6.6279 6.6279 6.8722 6.8722 6.9343 6.9343 7.2555 7.2555 7.2584 7.2584 7.7189 7.7189 7.8026 7.8026 10.0241 10.0241 10.8910 10.8910 12.1396 12.1396 12.1594 12.1594 14.4794 14.4794 14.5034 14.5034 k = 0.5000 0.5000 0.1216 ( 2852 PWs) bands (ev): -11.4503 -11.4503 -11.2756 -11.2756 1.0672 1.0672 1.0690 1.0690 1.9074 1.9074 2.4384 2.4384 2.8303 2.8303 2.8305 2.8305 5.3742 5.3742 5.3773 5.3773 5.4426 5.4426 5.8428 5.8428 6.0136 6.0136 6.1398 6.1398 6.1449 6.1449 6.2204 6.2204 6.2592 6.2592 6.2948 6.2948 6.4830 6.4830 6.5147 6.5147 6.5904 6.5904 6.6384 6.6384 6.8608 6.8608 6.9273 6.9273 7.2701 7.2701 7.2701 7.2701 7.7089 7.7089 7.8054 7.8054 10.0128 10.0128 10.9768 10.9768 12.1130 12.1130 12.1354 12.1354 14.3684 14.3684 14.3921 14.3921 k = 0.5000 0.5000 0.1351 ( 2868 PWs) bands (ev): -11.4588 -11.4588 -11.2657 -11.2657 1.0734 1.0734 1.0754 1.0754 1.8720 1.8720 2.4592 2.4592 2.8261 2.8261 2.8263 2.8263 5.3648 5.3648 5.3686 5.3686 5.4229 5.4229 5.8568 5.8568 6.0081 6.0081 6.1336 6.1336 6.1468 6.1468 6.2348 6.2348 6.2694 6.2694 6.2977 6.2977 6.4811 6.4811 6.5194 6.5194 6.6001 6.6001 6.6487 6.6487 6.8488 6.8488 6.9192 6.9192 7.2830 7.2830 7.2864 7.2864 7.6983 7.6983 7.8081 7.8081 10.0073 10.0073 11.0649 11.0649 12.0824 12.0824 12.1075 12.1075 14.2612 14.2612 14.2844 14.2844 k = 0.5000 0.5000 0.1486 ( 2868 PWs) bands (ev): -11.4669 -11.4669 -11.2559 -11.2559 1.0801 1.0801 1.0824 1.0824 1.8366 1.8366 2.4789 2.4789 2.8216 2.8216 2.8217 2.8217 5.3551 5.3551 5.3596 5.3596 5.4043 5.4043 5.8693 5.8693 6.0022 6.0022 6.1280 6.1280 6.1481 6.1481 6.2478 6.2478 6.2801 6.2801 6.3018 6.3018 6.4795 6.4795 6.5253 6.5253 6.6103 6.6103 6.6591 6.6591 6.8367 6.8367 6.9104 6.9104 7.2972 7.2972 7.3043 7.3043 7.6871 7.6871 7.8109 7.8109 10.0077 10.0077 11.1552 11.1552 12.0479 12.0479 12.0757 12.0757 14.1591 14.1591 14.1815 14.1815 k = 0.5000 0.5000 0.1622 ( 2868 PWs) bands (ev): -11.4749 -11.4749 -11.2462 -11.2462 1.0874 1.0874 1.0899 1.0899 1.8013 1.8013 2.4977 2.4977 2.8168 2.8168 2.8168 2.8168 5.3450 5.3450 5.3503 5.3503 5.3867 5.3867 5.8799 5.8799 5.9960 5.9960 6.1233 6.1233 6.1489 6.1489 6.2574 6.2574 6.2912 6.2912 6.3090 6.3090 6.4781 6.4781 6.5323 6.5323 6.6211 6.6211 6.6694 6.6694 6.8244 6.8244 6.9009 6.9009 7.3125 7.3125 7.3237 7.3237 7.6754 7.6754 7.8136 7.8136 10.0138 10.0138 11.2474 11.2474 12.0093 12.0093 12.0399 12.0399 14.0626 14.0626 14.0842 14.0842 k = 0.5000 0.5000 0.1757 ( 2868 PWs) bands (ev): -11.4826 -11.4826 -11.2367 -11.2367 1.0951 1.0951 1.0978 1.0978 1.7662 1.7662 2.5155 2.5155 2.8116 2.8116 2.8117 2.8117 5.3347 5.3347 5.3408 5.3408 5.3701 5.3701 5.8889 5.8889 5.9894 5.9894 6.1192 6.1192 6.1492 6.1492 6.2625 6.2625 6.3024 6.3024 6.3201 6.3201 6.4769 6.4769 6.5401 6.5401 6.6322 6.6322 6.6796 6.6796 6.8120 6.8120 6.8908 6.8908 7.3291 7.3291 7.3446 7.3446 7.6632 7.6632 7.8164 7.8164 10.0254 10.0254 11.3413 11.3413 11.9667 11.9667 11.9999 11.9999 13.9724 13.9724 13.9930 13.9930 k = 0.5000 0.5000 0.1892 ( 2868 PWs) bands (ev): -11.4901 -11.4901 -11.2273 -11.2273 1.1031 1.1031 1.1061 1.1061 1.7314 1.7314 2.5324 2.5324 2.8062 2.8062 2.8065 2.8065 5.3242 5.3242 5.3312 5.3312 5.3546 5.3546 5.8963 5.8963 5.9824 5.9824 6.1159 6.1159 6.1491 6.1491 6.2638 6.2638 6.3136 6.3136 6.3341 6.3341 6.4759 6.4759 6.5486 6.5486 6.6437 6.6437 6.6895 6.6895 6.7995 6.7995 6.8804 6.8804 7.3470 7.3470 7.3669 7.3669 7.6508 7.6508 7.8191 7.8191 10.0424 10.0424 11.4366 11.4366 11.9199 11.9199 11.9558 11.9558 13.8887 13.8887 13.9083 13.9083 k = 0.5000 0.5000 0.2027 ( 2860 PWs) bands (ev): -11.4973 -11.4973 -11.2182 -11.2182 1.1116 1.1116 1.1147 1.1147 1.6971 1.6971 2.5484 2.5484 2.8006 2.8006 2.8010 2.8010 5.3138 5.3138 5.3216 5.3216 5.3402 5.3402 5.9021 5.9021 5.9751 5.9751 6.1133 6.1133 6.1486 6.1486 6.2630 6.2630 6.3247 6.3247 6.3497 6.3497 6.4751 6.4751 6.5576 6.5576 6.6553 6.6553 6.6993 6.6993 6.7873 6.7873 6.8697 6.8697 7.3661 7.3661 7.3905 7.3905 7.6382 7.6382 7.8220 7.8220 10.0645 10.0645 11.5333 11.5333 11.8693 11.8693 11.9078 11.9078 13.8118 13.8118 13.8304 13.8304 k = 0.5000 0.5000 0.2162 ( 2868 PWs) bands (ev): -11.5042 -11.5042 -11.2092 -11.2092 1.1202 1.1202 1.1236 1.1236 1.6632 1.6632 2.5636 2.5636 2.7949 2.7949 2.7955 2.7955 5.3033 5.3033 5.3120 5.3120 5.3267 5.3267 5.9064 5.9064 5.9676 5.9676 6.1111 6.1111 6.1476 6.1476 6.2609 6.2609 6.3355 6.3355 6.3655 6.3655 6.4746 6.4746 6.5666 6.5666 6.6668 6.6668 6.7086 6.7086 6.7751 6.7751 6.8588 6.8588 7.3864 7.3864 7.4153 7.4153 7.6254 7.6254 7.8248 7.8248 10.0914 10.0914 11.6310 11.6310 11.8149 11.8149 11.8559 11.8559 13.7417 13.7417 13.7593 13.7593 k = 0.5000 0.5000 0.2297 ( 2856 PWs) bands (ev): -11.5109 -11.5109 -11.2005 -11.2005 1.1291 1.1291 1.1328 1.1328 1.6302 1.6302 2.5779 2.5779 2.7890 2.7890 2.7899 2.7899 5.2931 5.2931 5.3027 5.3027 5.3141 5.3141 5.9095 5.9095 5.9599 5.9599 6.1095 6.1095 6.1462 6.1462 6.2582 6.2582 6.3460 6.3460 6.3813 6.3813 6.4742 6.4742 6.5759 6.5759 6.6782 6.6782 6.7177 6.7177 6.7637 6.7637 6.8481 6.8481 7.4079 7.4079 7.4411 7.4411 7.6127 7.6127 7.8278 7.8278 10.1227 10.1227 11.7295 11.7295 11.7573 11.7573 11.8008 11.8008 13.6782 13.6782 13.6949 13.6949 k = 0.5000 0.5000 0.2432 ( 2856 PWs) bands (ev): -11.5172 -11.5172 -11.1921 -11.1921 1.1382 1.1382 1.1421 1.1421 1.5978 1.5978 2.5914 2.5914 2.7831 2.7831 2.7842 2.7842 5.2832 5.2832 5.2934 5.2934 5.3023 5.3023 5.9112 5.9112 5.9521 5.9521 6.1082 6.1082 6.1444 6.1444 6.2552 6.2552 6.3560 6.3560 6.3964 6.3964 6.4741 6.4741 6.5849 6.5849 6.6890 6.6890 6.7263 6.7263 6.7531 6.7531 6.8375 6.8375 7.4305 7.4305 7.4678 7.4678 7.6002 7.6002 7.8308 7.8308 10.1580 10.1580 11.6968 11.6968 11.7419 11.7419 11.8295 11.8295 13.6212 13.6212 13.6370 13.6370 k = 0.5000 0.5000 0.2568 ( 2856 PWs) bands (ev): -11.5233 -11.5233 -11.1839 -11.1839 1.1473 1.1473 1.1515 1.1515 1.5664 1.5664 2.6041 2.6041 2.7772 2.7772 2.7785 2.7785 5.2737 5.2737 5.2843 5.2843 5.2913 5.2913 5.9118 5.9118 5.9444 5.9444 6.1072 6.1072 6.1421 6.1421 6.2520 6.2520 6.3654 6.3654 6.4107 6.4107 6.4743 6.4743 6.5936 6.5936 6.6984 6.6984 6.7342 6.7342 6.7444 6.7444 6.8273 6.8273 7.4541 7.4541 7.4952 7.4952 7.5879 7.5879 7.8338 7.8338 10.1968 10.1968 11.6341 11.6341 11.6812 11.6812 11.9291 11.9291 13.5702 13.5702 13.5854 13.5854 k = 0.5000 0.5000 0.2703 ( 2864 PWs) bands (ev): -11.5291 -11.5291 -11.1760 -11.1760 1.1565 1.1565 1.1609 1.1609 1.5360 1.5360 2.6160 2.6160 2.7712 2.7712 2.7728 2.7728 5.2646 5.2646 5.2754 5.2754 5.2809 5.2809 5.9114 5.9114 5.9366 5.9366 6.1064 6.1064 6.1394 6.1394 6.2488 6.2488 6.3742 6.3742 6.4241 6.4241 6.4747 6.4747 6.6017 6.6017 6.7046 6.7046 6.7394 6.7394 6.7414 6.7414 6.8178 6.8178 7.4785 7.4785 7.5232 7.5232 7.5761 7.5761 7.8370 7.8370 10.2388 10.2388 11.5697 11.5697 11.6186 11.6186 12.0290 12.0290 13.5250 13.5250 13.5395 13.5395 k = 0.5000 0.5000 0.2838 ( 2868 PWs) bands (ev): -11.5345 -11.5345 -11.1685 -11.1685 1.1656 1.1656 1.1703 1.1703 1.5067 1.5067 2.6272 2.6272 2.7653 2.7653 2.7672 2.7672 5.2561 5.2561 5.2670 5.2670 5.2712 5.2712 5.9100 5.9100 5.9290 5.9290 6.1056 6.1056 6.1364 6.1364 6.2456 6.2456 6.3821 6.3821 6.4364 6.4364 6.4755 6.4755 6.6090 6.6090 6.7052 6.7052 6.7407 6.7407 6.7475 6.7475 6.8094 6.8094 7.5033 7.5033 7.5515 7.5515 7.5651 7.5651 7.8403 7.8403 10.2833 10.2833 11.5042 11.5042 11.5548 11.5548 12.1289 12.1289 13.4850 13.4850 13.4990 13.4990 k = 0.5000 0.5000 0.2973 ( 2884 PWs) bands (ev): -11.5397 -11.5397 -11.1613 -11.1613 1.1746 1.1746 1.1795 1.1795 1.4786 1.4786 2.6376 2.6376 2.7595 2.7595 2.7617 2.7617 5.2480 5.2480 5.2588 5.2588 5.2620 5.2620 5.9078 5.9078 5.9216 5.9216 6.1049 6.1049 6.1332 6.1332 6.2426 6.2426 6.3892 6.3892 6.4476 6.4476 6.4765 6.4765 6.6151 6.6151 6.7014 6.7014 6.7471 6.7471 6.7518 6.7518 6.8025 6.8025 7.5270 7.5270 7.5562 7.5562 7.5799 7.5799 7.8437 7.8437 10.3297 10.3297 11.4385 11.4385 11.4903 11.4903 12.2285 12.2285 13.4497 13.4497 13.4633 13.4633 k = 0.5000 0.5000 0.3108 ( 2876 PWs) bands (ev): -11.5446 -11.5446 -11.1545 -11.1545 1.1834 1.1834 1.1886 1.1886 1.4519 1.4519 2.6473 2.6473 2.7539 2.7539 2.7564 2.7564 5.2407 5.2407 5.2510 5.2510 5.2535 5.2535 5.9051 5.9051 5.9146 5.9146 6.1044 6.1044 6.1299 6.1299 6.2399 6.2399 6.3955 6.3955 6.4578 6.4578 6.4780 6.4780 6.6201 6.6201 6.6969 6.6969 6.7539 6.7539 6.7557 6.7557 6.7983 6.7983 7.5371 7.5371 7.5621 7.5621 7.6082 7.6082 7.8474 7.8474 10.3776 10.3776 11.3731 11.3731 11.4261 11.4261 12.3274 12.3274 13.4189 13.4189 13.4322 13.4322 k = 0.5000 0.5000 0.3243 ( 2884 PWs) bands (ev): -11.5491 -11.5491 -11.1481 -11.1481 1.1920 1.1920 1.1974 1.1974 1.4266 1.4266 2.6563 2.6563 2.7484 2.7484 2.7512 2.7512 5.2339 5.2339 5.2437 5.2437 5.2455 5.2455 5.9017 5.9017 5.9079 5.9079 6.1039 6.1039 6.1264 6.1264 6.2372 6.2372 6.4008 6.4008 6.4667 6.4667 6.4796 6.4796 6.6234 6.6234 6.6932 6.6932 6.7529 6.7529 6.7646 6.7646 6.7970 6.7970 7.5301 7.5301 7.5858 7.5858 7.6359 7.6359 7.8514 7.8514 10.4262 10.4262 11.3087 11.3087 11.3627 11.3627 12.4253 12.4253 13.3919 13.3919 13.4050 13.4050 k = 0.5000 0.5000 0.3378 ( 2884 PWs) bands (ev): -11.5533 -11.5533 -11.1420 -11.1420 1.2003 1.2003 1.2060 1.2060 1.4029 1.4029 2.6645 2.6645 2.7432 2.7432 2.7463 2.7463 5.2277 5.2277 5.2368 5.2368 5.2381 5.2381 5.8980 5.8980 5.9016 5.9016 6.1034 6.1034 6.1229 6.1229 6.2348 6.2348 6.4053 6.4053 6.4745 6.4745 6.4816 6.4816 6.6250 6.6250 6.6912 6.6912 6.7496 6.7496 6.7734 6.7734 6.7984 6.7984 7.5216 7.5216 7.6116 7.6116 7.6628 7.6628 7.8557 7.8557 10.4750 10.4750 11.2460 11.2460 11.3008 11.3008 12.5216 12.5216 13.3684 13.3684 13.3813 13.3813 k = 0.5000 0.5000 0.3514 ( 2892 PWs) bands (ev): -11.5572 -11.5572 -11.1364 -11.1364 1.2082 1.2082 1.2141 1.2141 1.3806 1.3806 2.6721 2.6721 2.7382 2.7382 2.7416 2.7416 5.2221 5.2221 5.2303 5.2303 5.2312 5.2312 5.8939 5.8939 5.8957 5.8957 6.1027 6.1027 6.1194 6.1194 6.2324 6.2324 6.4089 6.4089 6.4811 6.4811 6.4836 6.4836 6.6250 6.6250 6.6909 6.6909 6.7448 6.7448 6.7817 6.7817 6.8014 6.8014 7.5134 7.5134 7.6375 7.6375 7.6884 7.6884 7.8606 7.8606 10.5232 10.5232 11.1857 11.1857 11.2410 11.2410 12.6160 12.6160 13.3480 13.3480 13.3609 13.3609 k = 0.5000 0.5000 0.3649 ( 2884 PWs) bands (ev): -11.5608 -11.5608 -11.1312 -11.1312 1.2157 1.2157 1.2218 1.2218 1.3602 1.3602 2.6790 2.6790 2.7335 2.7335 2.7372 2.7372 5.2171 5.2171 5.2244 5.2244 5.2250 5.2250 5.8898 5.8898 5.8903 5.8903 6.1022 6.1022 6.1162 6.1162 6.2303 6.2303 6.4119 6.4119 6.4860 6.4860 6.4867 6.4867 6.6240 6.6240 6.6921 6.6921 6.7395 6.7395 6.7896 6.7896 6.8051 6.8051 7.5058 7.5058 7.6628 7.6628 7.7122 7.7122 7.8663 7.8663 10.5702 10.5702 11.1284 11.1284 11.1840 11.1840 12.7079 12.7079 13.3304 13.3304 13.3433 13.3433 k = 0.5000 0.5000 0.3784 ( 2884 PWs) bands (ev): -11.5640 -11.5640 -11.1265 -11.1265 1.2227 1.2227 1.2289 1.2289 1.3414 1.3414 2.6852 2.6852 2.7292 2.7292 2.7332 2.7332 5.2126 5.2126 5.2190 5.2190 5.2193 5.2193 5.8852 5.8852 5.8856 5.8856 6.1016 6.1016 6.1130 6.1130 6.2283 6.2283 6.4142 6.4142 6.4884 6.4884 6.4911 6.4911 6.6224 6.6224 6.6941 6.6941 6.7343 6.7343 6.7968 6.7968 6.8089 6.8089 7.4989 7.4989 7.6872 7.6872 7.7338 7.7338 7.8727 7.8727 10.6152 10.6152 11.0747 11.0747 11.1303 11.1303 12.7964 12.7964 13.3153 13.3153 13.3282 13.3282 k = 0.5000 0.5000 0.3919 ( 2876 PWs) bands (ev): -11.5669 -11.5669 -11.1222 -11.1222 1.2292 1.2292 1.2355 1.2355 1.3245 1.3245 2.6907 2.6907 2.7252 2.7252 2.7295 2.7295 5.2087 5.2087 5.2141 5.2141 5.2142 5.2142 5.8807 5.8807 5.8816 5.8816 6.1011 6.1011 6.1101 6.1101 6.2265 6.2265 6.4159 6.4159 6.4909 6.4909 6.4946 6.4946 6.6207 6.6207 6.6967 6.6967 6.7294 6.7294 6.8034 6.8034 6.8127 6.8127 7.4927 7.4927 7.7103 7.7103 7.7527 7.7527 7.8802 7.8802 10.6574 10.6574 11.0254 11.0254 11.0805 11.0805 12.8809 12.8809 13.3025 13.3025 13.3154 13.3154 k = 0.5000 0.5000 0.4054 ( 2868 PWs) bands (ev): -11.5694 -11.5694 -11.1184 -11.1184 1.2350 1.2350 1.2415 1.2415 1.3095 1.3095 2.6955 2.6955 2.7216 2.7216 2.7262 2.7262 5.2053 5.2053 5.2097 5.2097 5.2098 5.2098 5.8768 5.8768 5.8778 5.8778 6.1005 6.1005 6.1075 6.1075 6.2249 6.2249 6.4172 6.4172 6.4932 6.4932 6.4972 6.4972 6.6191 6.6191 6.6994 6.6994 6.7249 6.7249 6.8092 6.8092 6.8162 6.8162 7.4872 7.4872 7.7318 7.7318 7.7685 7.7685 7.8887 7.8887 10.6960 10.6960 10.9811 10.9811 11.0352 11.0352 12.9604 12.9604 13.2916 13.2916 13.3046 13.3046 k = 0.5000 0.5000 0.4189 ( 2860 PWs) bands (ev): -11.5716 -11.5716 -11.1150 -11.1150 1.2402 1.2402 1.2467 1.2467 1.2964 1.2964 2.6996 2.6996 2.7184 2.7184 2.7234 2.7234 5.2023 5.2023 5.2058 5.2058 5.2060 5.2060 5.8733 5.8733 5.8742 5.8742 6.1000 6.1000 6.1052 6.1052 6.2234 6.2234 6.4181 6.4181 6.4954 6.4954 6.4991 6.4991 6.6177 6.6177 6.7020 6.7020 6.7210 6.7210 6.8143 6.8143 6.8194 6.8194 7.4825 7.4825 7.7513 7.7513 7.7812 7.7812 7.8978 7.8978 10.7299 10.7299 10.9426 10.9426 10.9948 10.9948 13.0336 13.0336 13.2826 13.2826 13.2956 13.2956 k = 0.5000 0.5000 0.4324 ( 2860 PWs) bands (ev): -11.5735 -11.5735 -11.1122 -11.1122 1.2446 1.2446 1.2509 1.2509 1.2854 1.2854 2.7030 2.7030 2.7156 2.7156 2.7211 2.7211 5.1998 5.1998 5.2025 5.2025 5.2027 5.2027 5.8701 5.8701 5.8711 5.8711 6.0995 6.0995 6.1030 6.1030 6.2221 6.2221 6.4188 6.4188 6.4974 6.4974 6.5003 6.5003 6.6167 6.6167 6.7044 6.7044 6.7177 6.7177 6.8186 6.8186 6.8221 6.8221 7.4785 7.4785 7.7683 7.7683 7.7910 7.7910 7.9071 7.9071 10.7577 10.7577 10.9113 10.9113 10.9598 10.9598 13.0992 13.0992 13.2751 13.2751 13.2884 13.2884 k = 0.5000 0.5000 0.4459 ( 2860 PWs) bands (ev): -11.5751 -11.5751 -11.1099 -11.1099 1.2483 1.2483 1.2542 1.2542 1.2767 1.2767 2.7057 2.7057 2.7134 2.7134 2.7192 2.7192 5.1977 5.1977 5.1999 5.1999 5.2001 5.2001 5.8676 5.8676 5.8683 5.8683 6.0990 6.0990 6.1013 6.1013 6.2210 6.2210 6.4192 6.4192 6.4990 6.4990 6.5011 6.5011 6.6159 6.6159 6.7064 6.7064 6.7150 6.7150 6.8222 6.8222 6.8244 6.8244 7.4752 7.4752 7.7827 7.7827 7.7983 7.7983 7.9160 7.9160 10.7776 10.7776 10.8889 10.8889 10.9305 10.9305 13.1558 13.1558 13.2692 13.2692 13.2827 13.2827 k = 0.5000 0.5000 0.4595 ( 2872 PWs) bands (ev): -11.5763 -11.5763 -11.1081 -11.1081 1.2511 1.2511 1.2561 1.2561 1.2704 1.2704 2.7075 2.7075 2.7116 2.7116 2.7180 2.7180 5.1959 5.1959 5.1978 5.1978 5.1979 5.1979 5.8655 5.8655 5.8659 5.8659 6.0985 6.0985 6.0998 6.0998 6.2200 6.2200 6.4194 6.4194 6.5002 6.5002 6.5015 6.5015 6.6153 6.6153 6.7080 6.7080 6.7128 6.7128 6.8249 6.8249 6.8261 6.8261 7.4726 7.4726 7.7942 7.7942 7.8034 7.8034 7.9236 7.9236 10.7875 10.7875 10.8771 10.8771 10.9074 10.9074 13.2017 13.2017 13.2648 13.2648 13.2787 13.2787 k = 0.5000 0.5000 0.4730 ( 2872 PWs) bands (ev): -11.5771 -11.5771 -11.1068 -11.1068 1.2532 1.2532 1.2563 1.2563 1.2672 1.2672 2.7086 2.7086 2.7103 2.7103 2.7173 2.7173 5.1947 5.1947 5.1964 5.1964 5.1965 5.1965 5.8641 5.8641 5.8643 5.8643 6.0983 6.0983 6.0988 6.0988 6.2194 6.2194 6.4196 6.4196 6.5011 6.5011 6.5018 6.5018 6.6150 6.6150 6.7091 6.7091 6.7113 6.7113 6.8269 6.8269 6.8274 6.8274 7.4708 7.4708 7.8026 7.8026 7.8069 7.8069 7.9294 7.9294 10.7887 10.7887 10.8747 10.8747 10.8906 10.8906 13.2351 13.2351 13.2616 13.2616 13.2766 13.2766 k = 0.5000 0.5000 0.4865 ( 2872 PWs) bands (ev): -11.5776 -11.5776 -11.1060 -11.1060 1.2545 1.2545 1.2554 1.2554 1.2663 1.2663 2.7091 2.7091 2.7095 2.7095 2.7171 2.7171 5.1940 5.1940 5.1955 5.1955 5.1956 5.1956 5.8633 5.8633 5.8633 5.8633 6.0981 6.0981 6.0982 6.0982 6.2190 6.2190 6.4197 6.4197 6.5017 6.5017 6.5019 6.5019 6.6148 6.6148 6.7099 6.7099 6.7104 6.7104 6.8280 6.8280 6.8282 6.8282 7.4697 7.4697 7.8077 7.8077 7.8088 7.8088 7.9332 7.9332 10.7865 10.7865 10.8762 10.8762 10.8805 10.8805 13.2539 13.2539 13.2597 13.2597 13.2771 13.2771 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -11.5778 -11.5778 -11.1057 -11.1057 1.2549 1.2549 1.2549 1.2549 1.2662 1.2662 2.7093 2.7093 2.7093 2.7093 2.7170 2.7170 5.1937 5.1937 5.1953 5.1953 5.1953 5.1953 5.8630 5.8630 5.8630 5.8630 6.0980 6.0980 6.0980 6.0980 6.2189 6.2189 6.4197 6.4197 6.5019 6.5019 6.5019 6.5019 6.6148 6.6148 6.7101 6.7101 6.7101 6.7101 6.8284 6.8284 6.8284 6.8284 7.4694 7.4694 7.8095 7.8095 7.8095 7.8095 7.9344 7.9344 10.7853 10.7853 10.8771 10.8771 10.8771 10.8771 13.2591 13.2591 13.2591 13.2591 13.2785 13.2785 Writing output data file Cu2O.save init_run : 0.20s CPU 0.37s WALL ( 1 calls) electrons : 118.30s CPU 120.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 118.29s CPU 120.94s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 287 calls) cegterg : 108.30s CPU 110.12s WALL ( 395 calls) Called by sum_band: Called by *egterg: h_psi : 45.56s CPU 46.90s WALL ( 5498 calls) s_psi : 4.83s CPU 4.86s WALL ( 5498 calls) g_psi : 0.15s CPU 0.15s WALL ( 4816 calls) cdiaghg : 53.52s CPU 54.33s WALL ( 5103 calls) cegterg:over : 4.78s CPU 4.82s WALL ( 4816 calls) cegterg:upda : 3.58s CPU 3.64s WALL ( 4816 calls) cegterg:last : 2.02s CPU 2.01s WALL ( 858 calls) cdiaghg:chol : 3.08s CPU 3.10s WALL ( 5103 calls) cdiaghg:inve : 2.10s CPU 2.22s WALL ( 5103 calls) cdiaghg:para : 3.93s CPU 3.93s WALL ( 10206 calls) Called by h_psi: h_psi:vloc : 34.80s CPU 35.82s WALL ( 5498 calls) h_psi:vnl : 10.63s CPU 10.91s WALL ( 5498 calls) add_vuspsi : 5.84s CPU 5.89s WALL ( 5498 calls) General routines calbec : 4.77s CPU 5.00s WALL ( 5498 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 32.17s CPU 33.09s WALL ( 729632 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.20s WALL ( 574 calls) Parallel routines fft_scatter : 16.69s CPU 17.01s WALL ( 729655 calls) PWSCF : 2m12.40s CPU 2m34.23s WALL This run was terminated on: 17:42:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=