Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 9:10 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: ./CaC2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 85 47 13 3525 1482 227 Max 86 48 14 3528 1498 234 Sum 3061 1725 497 126923 53643 8289 bravais-lattice index = 14 lattice parameter (alat) = 10.8281 a.u. unit-cell volume = 1269.5809 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.828130 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) C 4.00 12.01070 C( 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= 216 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0046296 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0046296 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0046296 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0046296 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0046296 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0046296 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0046296 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0046296 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0046296 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0046296 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0046296 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0046296 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0046296 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0046296 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0046296 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0046296 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0046296 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0046296 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0046296 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0046296 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0046296 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0046296 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0046296 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0046296 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0046296 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0046296 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0046296 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0046296 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0046296 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0046296 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0046296 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0046296 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0046296 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0046296 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0046296 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0046296 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0046296 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0046296 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0046296 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0046296 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0046296 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0046296 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0046296 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0046296 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0046296 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0046296 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0046296 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0046296 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0046296 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0046296 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0046296 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0046296 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0046296 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0046296 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 60) = ( 0.4871795 0.4871795 -0.0000000), wk = 0.0046296 k( 61) = ( 0.4743590 0.4743590 -0.0000000), wk = 0.0046296 k( 62) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0046296 k( 63) = ( 0.4487179 0.4487179 -0.0000000), wk = 0.0046296 k( 64) = ( 0.4358974 0.4358974 -0.0000000), wk = 0.0046296 k( 65) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0046296 k( 66) = ( 0.4102564 0.4102564 -0.0000000), wk = 0.0046296 k( 67) = ( 0.3974359 0.3974359 -0.0000000), wk = 0.0046296 k( 68) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0046296 k( 69) = ( 0.3717949 0.3717949 -0.0000000), wk = 0.0046296 k( 70) = ( 0.3589744 0.3589744 -0.0000000), wk = 0.0046296 k( 71) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0046296 k( 72) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046296 k( 73) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0046296 k( 74) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0046296 k( 75) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0046296 k( 76) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0046296 k( 77) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0046296 k( 78) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0046296 k( 79) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0046296 k( 80) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0046296 k( 81) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0046296 k( 82) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0046296 k( 83) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0046296 k( 84) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0046296 k( 85) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0046296 k( 86) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0046296 k( 87) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0046296 k( 88) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0046296 k( 89) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0046296 k( 90) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0046296 k( 91) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0046296 k( 92) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0046296 k( 93) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0046296 k( 94) = ( 0.0512821 0.0512820 -0.0000000), wk = 0.0046296 k( 95) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0046296 k( 96) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0046296 k( 97) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0046296 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 100) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0046296 k( 101) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0046296 k( 102) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0046296 k( 103) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0046296 k( 104) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0046296 k( 105) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0046296 k( 106) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0046296 k( 107) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0046296 k( 108) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0046296 k( 109) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0046296 k( 110) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0046296 k( 111) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0046296 k( 112) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0046296 k( 113) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0046296 k( 114) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0046296 k( 115) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0046296 k( 116) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0046296 k( 117) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0046296 k( 118) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0046296 k( 119) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0046296 k( 120) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0046296 k( 121) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0046296 k( 122) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0046296 k( 123) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0046296 k( 124) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0046296 k( 125) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0046296 k( 126) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0046296 k( 127) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0046296 k( 128) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0046296 k( 129) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0046296 k( 130) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0046296 k( 131) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0046296 k( 132) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0046296 k( 133) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0046296 k( 134) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0046296 k( 135) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0046296 k( 136) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0046296 k( 137) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0046296 k( 138) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0046296 k( 139) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0046296 k( 140) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0046296 k( 141) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0046296 k( 142) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0046296 k( 143) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0046296 k( 144) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0046296 k( 145) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0046296 k( 146) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0046296 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 149) = ( 0.4871795 0.5000000 0.4871795), wk = 0.0046296 k( 150) = ( 0.4743590 0.5000000 0.4743590), wk = 0.0046296 k( 151) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0046296 k( 152) = ( 0.4487179 0.5000000 0.4487179), wk = 0.0046296 k( 153) = ( 0.4358974 0.5000000 0.4358974), wk = 0.0046296 k( 154) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0046296 k( 155) = ( 0.4102564 0.5000000 0.4102564), wk = 0.0046296 k( 156) = ( 0.3974359 0.5000000 0.3974359), wk = 0.0046296 k( 157) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0046296 k( 158) = ( 0.3717949 0.5000000 0.3717949), wk = 0.0046296 k( 159) = ( 0.3589744 0.5000000 0.3589744), wk = 0.0046296 k( 160) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0046296 k( 161) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0046296 k( 162) = ( 0.3205128 0.5000000 0.3205128), wk = 0.0046296 k( 163) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0046296 k( 164) = ( 0.2948718 0.5000000 0.2948718), wk = 0.0046296 k( 165) = ( 0.2820513 0.5000000 0.2820513), wk = 0.0046296 k( 166) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0046296 k( 167) = ( 0.2564103 0.5000000 0.2564103), wk = 0.0046296 k( 168) = ( 0.2435897 0.5000000 0.2435897), wk = 0.0046296 k( 169) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0046296 k( 170) = ( 0.2179487 0.5000000 0.2179487), wk = 0.0046296 k( 171) = ( 0.2051282 0.5000000 0.2051282), wk = 0.0046296 k( 172) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0046296 k( 173) = ( 0.1794872 0.5000000 0.1794872), wk = 0.0046296 k( 174) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0046296 k( 175) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0046296 k( 176) = ( 0.1410256 0.5000000 0.1410256), wk = 0.0046296 k( 177) = ( 0.1282051 0.5000000 0.1282051), wk = 0.0046296 k( 178) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0046296 k( 179) = ( 0.1025641 0.5000000 0.1025641), wk = 0.0046296 k( 180) = ( 0.0897436 0.5000000 0.0897436), wk = 0.0046296 k( 181) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0046296 k( 182) = ( 0.0641026 0.5000000 0.0641026), wk = 0.0046296 k( 183) = ( 0.0512821 0.5000000 0.0512820), wk = 0.0046296 k( 184) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0046296 k( 185) = ( 0.0256410 0.5000000 0.0256410), wk = 0.0046296 k( 186) = ( 0.0128205 0.5000000 0.0128205), wk = 0.0046296 k( 187) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 188) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 189) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0046296 k( 190) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0046296 k( 191) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0046296 k( 192) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0046296 k( 193) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0046296 k( 194) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0046296 k( 195) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0046296 k( 196) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0046296 k( 197) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0046296 k( 198) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0046296 k( 199) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0046296 k( 200) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0046296 k( 201) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0046296 k( 202) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0046296 k( 203) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0046296 k( 204) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0046296 k( 205) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0046296 k( 206) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0046296 k( 207) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0046296 k( 208) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0046296 k( 209) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0046296 k( 210) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0046296 k( 211) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0046296 k( 212) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0046296 k( 213) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0046296 k( 214) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0046296 k( 215) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0046296 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0046296 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0046296 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0046296 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0046296 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0046296 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0046296 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0046296 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0046296 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0046296 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0046296 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0046296 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0046296 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0046296 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0046296 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0046296 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0046296 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0046296 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0046296 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0046296 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0046296 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0046296 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0046296 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0046296 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0046296 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0046296 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0046296 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0046296 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0046296 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0046296 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0046296 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0046296 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0046296 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0046296 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0046296 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0046296 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0046296 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0046296 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0046296 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0046296 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0046296 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0046296 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0046296 k( 46) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0046296 k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0046296 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0046296 k( 49) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0046296 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0046296 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0046296 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0046296 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0046296 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0046296 k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0046296 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0046296 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0046296 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 60) = ( 0.4871795 0.4871795 0.0000000), wk = 0.0046296 k( 61) = ( 0.4743590 0.4743590 0.0000000), wk = 0.0046296 k( 62) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0046296 k( 63) = ( 0.4487179 0.4487179 0.0000000), wk = 0.0046296 k( 64) = ( 0.4358974 0.4358974 0.0000000), wk = 0.0046296 k( 65) = ( 0.4230769 0.4230769 0.0000000), wk = 0.0046296 k( 66) = ( 0.4102564 0.4102564 -0.0000000), wk = 0.0046296 k( 67) = ( 0.3974359 0.3974359 -0.0000000), wk = 0.0046296 k( 68) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0046296 k( 69) = ( 0.3717949 0.3717949 0.0000000), wk = 0.0046296 k( 70) = ( 0.3589744 0.3589744 0.0000000), wk = 0.0046296 k( 71) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0046296 k( 72) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046296 k( 73) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0046296 k( 74) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0046296 k( 75) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0046296 k( 76) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0046296 k( 77) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0046296 k( 78) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0046296 k( 79) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0046296 k( 80) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0046296 k( 81) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0046296 k( 82) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0046296 k( 83) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0046296 k( 84) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0046296 k( 85) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0046296 k( 86) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0046296 k( 87) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0046296 k( 88) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0046296 k( 89) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0046296 k( 90) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0046296 k( 91) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0046296 k( 92) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0046296 k( 93) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0046296 k( 94) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0046296 k( 95) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0046296 k( 96) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0046296 k( 97) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0046296 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 100) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0046296 k( 101) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0046296 k( 102) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0046296 k( 103) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0046296 k( 104) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0046296 k( 105) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0046296 k( 106) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0046296 k( 107) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0046296 k( 108) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0046296 k( 109) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0046296 k( 110) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0046296 k( 111) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0046296 k( 112) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0046296 k( 113) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0046296 k( 114) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0046296 k( 115) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0046296 k( 116) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0046296 k( 117) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0046296 k( 118) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0046296 k( 119) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0046296 k( 120) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0046296 k( 121) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0046296 k( 122) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0046296 k( 123) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0046296 k( 124) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0046296 k( 125) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0046296 k( 126) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0046296 k( 127) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0046296 k( 128) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0046296 k( 129) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0046296 k( 130) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0046296 k( 131) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0046296 k( 132) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0046296 k( 133) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0046296 k( 134) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0046296 k( 135) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0046296 k( 136) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0046296 k( 137) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0046296 k( 138) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0046296 k( 139) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0046296 k( 140) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0046296 k( 141) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0046296 k( 142) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0046296 k( 143) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0046296 k( 144) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0046296 k( 145) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0046296 k( 146) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0046296 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 149) = ( 0.4871795 0.5000000 0.4871795), wk = 0.0046296 k( 150) = ( 0.4743590 0.5000000 0.4743590), wk = 0.0046296 k( 151) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0046296 k( 152) = ( 0.4487179 0.5000000 0.4487179), wk = 0.0046296 k( 153) = ( 0.4358974 0.5000000 0.4358974), wk = 0.0046296 k( 154) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0046296 k( 155) = ( 0.4102564 0.5000000 0.4102564), wk = 0.0046296 k( 156) = ( 0.3974359 0.5000000 0.3974359), wk = 0.0046296 k( 157) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0046296 k( 158) = ( 0.3717949 0.5000000 0.3717949), wk = 0.0046296 k( 159) = ( 0.3589744 0.5000000 0.3589744), wk = 0.0046296 k( 160) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0046296 k( 161) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0046296 k( 162) = ( 0.3205128 0.5000000 0.3205128), wk = 0.0046296 k( 163) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0046296 k( 164) = ( 0.2948718 0.5000000 0.2948718), wk = 0.0046296 k( 165) = ( 0.2820513 0.5000000 0.2820513), wk = 0.0046296 k( 166) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0046296 k( 167) = ( 0.2564103 0.5000000 0.2564103), wk = 0.0046296 k( 168) = ( 0.2435897 0.5000000 0.2435897), wk = 0.0046296 k( 169) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0046296 k( 170) = ( 0.2179487 0.5000000 0.2179487), wk = 0.0046296 k( 171) = ( 0.2051282 0.5000000 0.2051282), wk = 0.0046296 k( 172) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0046296 k( 173) = ( 0.1794872 0.5000000 0.1794872), wk = 0.0046296 k( 174) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0046296 k( 175) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0046296 k( 176) = ( 0.1410256 0.5000000 0.1410256), wk = 0.0046296 k( 177) = ( 0.1282051 0.5000000 0.1282051), wk = 0.0046296 k( 178) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0046296 k( 179) = ( 0.1025641 0.5000000 0.1025641), wk = 0.0046296 k( 180) = ( 0.0897436 0.5000000 0.0897436), wk = 0.0046296 k( 181) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0046296 k( 182) = ( 0.0641026 0.5000000 0.0641026), wk = 0.0046296 k( 183) = ( 0.0512821 0.5000000 0.0512821), wk = 0.0046296 k( 184) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0046296 k( 185) = ( 0.0256410 0.5000000 0.0256410), wk = 0.0046296 k( 186) = ( 0.0128205 0.5000000 0.0128205), wk = 0.0046296 k( 187) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 188) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 189) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0046296 k( 190) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0046296 k( 191) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0046296 k( 192) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0046296 k( 193) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0046296 k( 194) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0046296 k( 195) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0046296 k( 196) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0046296 k( 197) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0046296 k( 198) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0046296 k( 199) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0046296 k( 200) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0046296 k( 201) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0046296 k( 202) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0046296 k( 203) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0046296 k( 204) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0046296 k( 205) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0046296 k( 206) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0046296 k( 207) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0046296 k( 208) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0046296 k( 209) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0046296 k( 210) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0046296 k( 211) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0046296 k( 212) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0046296 k( 213) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0046296 k( 214) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0046296 k( 215) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0046296 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 Dense grid: 126923 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 53643 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.51 Mb ( 392, 86) NL pseudopotentials 0.74 Mb ( 196, 248) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.03 Mb ( 3527) G-vector shells 0.01 Mb ( 664) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.06 Mb ( 392, 344) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 0.65 Mb ( 248, 2, 86) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./CaC2.save/charge-density.dat Starting wfc are 128 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.4 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.9 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 12.6 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 16.4 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 20.2 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 24.0 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 27.7 secs Computing kpt #: 8 total cpu time spent up to now is 31.2 secs Computing kpt #: 9 total cpu time spent up to now is 34.7 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 38.5 secs Computing kpt #: 11 total cpu time spent up to now is 40.9 secs Computing kpt #: 12 total cpu time spent up to now is 43.1 secs Computing kpt #: 13 total cpu time spent up to now is 45.3 secs Computing kpt #: 14 total cpu time spent up to now is 47.2 secs Computing kpt #: 15 total cpu time spent up to now is 49.1 secs Computing kpt #: 16 total cpu time spent up to now is 51.0 secs Computing kpt #: 17 total cpu time spent up to now is 52.9 secs Computing kpt #: 18 total cpu time spent up to now is 55.0 secs Computing kpt #: 19 total cpu time spent up to now is 56.9 secs Computing kpt #: 20 total cpu time spent up to now is 58.9 secs Computing kpt #: 21 total cpu time spent up to now is 61.0 secs Computing kpt #: 22 total cpu time spent up to now is 63.0 secs Computing kpt #: 23 total cpu time spent up to now is 65.2 secs Computing kpt #: 24 total cpu time spent up to now is 68.2 secs Computing kpt #: 25 total cpu time spent up to now is 70.8 secs Computing kpt #: 26 total cpu time spent up to now is 74.3 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.8 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 81.4 secs Computing kpt #: 29 total cpu time spent up to now is 83.1 secs Computing kpt #: 30 total cpu time spent up to now is 84.8 secs Computing kpt #: 31 total cpu time spent up to now is 86.9 secs Computing kpt #: 32 total cpu time spent up to now is 89.1 secs Computing kpt #: 33 total cpu time spent up to now is 91.6 secs Computing kpt #: 34 total cpu time spent up to now is 94.0 secs Computing kpt #: 35 total cpu time spent up to now is 96.5 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.1 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.7 secs Computing kpt #: 38 total cpu time spent up to now is 106.5 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.1 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 113.9 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.5 secs Computing kpt #: 42 total cpu time spent up to now is 120.1 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.7 secs Computing kpt #: 44 total cpu time spent up to now is 126.4 secs Computing kpt #: 45 total cpu time spent up to now is 129.1 secs Computing kpt #: 46 total cpu time spent up to now is 131.6 secs Computing kpt #: 47 total cpu time spent up to now is 134.0 secs Computing kpt #: 48 total cpu time spent up to now is 136.7 secs Computing kpt #: 49 total cpu time spent up to now is 139.3 secs Computing kpt #: 50 total cpu time spent up to now is 142.9 secs Computing kpt #: 51 total cpu time spent up to now is 145.3 secs Computing kpt #: 52 total cpu time spent up to now is 147.7 secs Computing kpt #: 53 total cpu time spent up to now is 149.9 secs Computing kpt #: 54 total cpu time spent up to now is 152.2 secs Computing kpt #: 55 total cpu time spent up to now is 154.6 secs Computing kpt #: 56 total cpu time spent up to now is 156.8 secs Computing kpt #: 57 total cpu time spent up to now is 159.0 secs Computing kpt #: 58 total cpu time spent up to now is 161.0 secs Computing kpt #: 59 total cpu time spent up to now is 163.1 secs Computing kpt #: 60 total cpu time spent up to now is 166.3 secs Computing kpt #: 61 total cpu time spent up to now is 169.2 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.9 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 176.6 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 180.7 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.3 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.1 secs Computing kpt #: 67 total cpu time spent up to now is 191.2 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 194.9 secs Computing kpt #: 69 total cpu time spent up to now is 197.3 secs Computing kpt #: 70 total cpu time spent up to now is 199.6 secs Computing kpt #: 71 total cpu time spent up to now is 201.8 secs Computing kpt #: 72 total cpu time spent up to now is 204.0 secs Computing kpt #: 73 total cpu time spent up to now is 206.1 secs Computing kpt #: 74 total cpu time spent up to now is 208.3 secs Computing kpt #: 75 total cpu time spent up to now is 210.4 secs Computing kpt #: 76 total cpu time spent up to now is 212.6 secs Computing kpt #: 77 total cpu time spent up to now is 214.7 secs Computing kpt #: 78 total cpu time spent up to now is 216.8 secs Computing kpt #: 79 total cpu time spent up to now is 218.9 secs Computing kpt #: 80 total cpu time spent up to now is 221.0 secs Computing kpt #: 81 total cpu time spent up to now is 223.2 secs Computing kpt #: 82 total cpu time spent up to now is 225.3 secs Computing kpt #: 83 total cpu time spent up to now is 227.4 secs Computing kpt #: 84 total cpu time spent up to now is 229.6 secs Computing kpt #: 85 total cpu time spent up to now is 231.8 secs Computing kpt #: 86 total cpu time spent up to now is 234.1 secs Computing kpt #: 87 total cpu time spent up to now is 236.6 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.3 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 244.1 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.9 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.8 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 255.5 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.2 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.3 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.0 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.6 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.3 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 278.9 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.5 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.0 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.6 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.3 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 297.1 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.9 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 304.7 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.5 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.3 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.1 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.9 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 323.7 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 327.4 secs Computing kpt #: 112 total cpu time spent up to now is 331.1 secs Computing kpt #: 113 total cpu time spent up to now is 334.8 secs Computing kpt #: 114 total cpu time spent up to now is 338.2 secs Computing kpt #: 115 total cpu time spent up to now is 341.2 secs Computing kpt #: 116 total cpu time spent up to now is 344.1 secs Computing kpt #: 117 total cpu time spent up to now is 347.1 secs Computing kpt #: 118 total cpu time spent up to now is 349.8 secs Computing kpt #: 119 total cpu time spent up to now is 352.8 secs Computing kpt #: 120 total cpu time spent up to now is 355.4 secs Computing kpt #: 121 total cpu time spent up to now is 358.0 secs Computing kpt #: 122 total cpu time spent up to now is 360.6 secs Computing kpt #: 123 total cpu time spent up to now is 363.3 secs Computing kpt #: 124 total cpu time spent up to now is 366.0 secs Computing kpt #: 125 total cpu time spent up to now is 368.5 secs Computing kpt #: 126 total cpu time spent up to now is 371.0 secs Computing kpt #: 127 total cpu time spent up to now is 373.6 secs Computing kpt #: 128 total cpu time spent up to now is 376.1 secs Computing kpt #: 129 total cpu time spent up to now is 378.7 secs Computing kpt #: 130 total cpu time spent up to now is 381.8 secs Computing kpt #: 131 total cpu time spent up to now is 385.1 secs Computing kpt #: 132 total cpu time spent up to now is 388.5 secs Computing kpt #: 133 total cpu time spent up to now is 391.8 secs Computing kpt #: 134 total cpu time spent up to now is 395.0 secs Computing kpt #: 135 total cpu time spent up to now is 397.4 secs Computing kpt #: 136 total cpu time spent up to now is 399.7 secs Computing kpt #: 137 total cpu time spent up to now is 402.0 secs Computing kpt #: 138 total cpu time spent up to now is 404.8 secs Computing kpt #: 139 total cpu time spent up to now is 407.7 secs Computing kpt #: 140 total cpu time spent up to now is 410.6 secs Computing kpt #: 141 total cpu time spent up to now is 413.9 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.4 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 420.8 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.3 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 427.8 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 431.2 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 434.6 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 437.9 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 441.4 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 444.9 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 448.3 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 451.8 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 455.2 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 458.6 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 462.1 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 465.5 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 469.0 secs Computing kpt #: 158 total cpu time spent up to now is 472.3 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 475.7 secs Computing kpt #: 160 total cpu time spent up to now is 478.7 secs Computing kpt #: 161 total cpu time spent up to now is 481.1 secs Computing kpt #: 162 total cpu time spent up to now is 483.5 secs Computing kpt #: 163 total cpu time spent up to now is 485.8 secs Computing kpt #: 164 total cpu time spent up to now is 488.2 secs Computing kpt #: 165 total cpu time spent up to now is 490.5 secs Computing kpt #: 166 total cpu time spent up to now is 493.0 secs Computing kpt #: 167 total cpu time spent up to now is 495.6 secs Computing kpt #: 168 total cpu time spent up to now is 498.3 secs Computing kpt #: 169 total cpu time spent up to now is 501.3 secs Computing kpt #: 170 total cpu time spent up to now is 504.3 secs Computing kpt #: 171 total cpu time spent up to now is 507.6 secs Computing kpt #: 172 total cpu time spent up to now is 511.1 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 514.7 secs Computing kpt #: 174 total cpu time spent up to now is 518.0 secs Computing kpt #: 175 total cpu time spent up to now is 520.9 secs Computing kpt #: 176 total cpu time spent up to now is 523.1 secs Computing kpt #: 177 total cpu time spent up to now is 525.3 secs Computing kpt #: 178 total cpu time spent up to now is 527.3 secs Computing kpt #: 179 total cpu time spent up to now is 529.2 secs Computing kpt #: 180 total cpu time spent up to now is 531.3 secs Computing kpt #: 181 total cpu time spent up to now is 533.5 secs Computing kpt #: 182 total cpu time spent up to now is 535.6 secs Computing kpt #: 183 total cpu time spent up to now is 538.1 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 541.7 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 545.3 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 548.9 secs Computing kpt #: 187 total cpu time spent up to now is 550.6 secs Computing kpt #: 188 total cpu time spent up to now is 552.7 secs Computing kpt #: 189 total cpu time spent up to now is 555.3 secs Computing kpt #: 190 total cpu time spent up to now is 557.3 secs Computing kpt #: 191 total cpu time spent up to now is 559.4 secs Computing kpt #: 192 total cpu time spent up to now is 562.1 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 565.8 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 569.4 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 572.9 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 576.5 secs Computing kpt #: 197 total cpu time spent up to now is 580.0 secs Computing kpt #: 198 total cpu time spent up to now is 583.4 secs Computing kpt #: 199 total cpu time spent up to now is 586.6 secs Computing kpt #: 200 total cpu time spent up to now is 589.9 secs Computing kpt #: 201 total cpu time spent up to now is 593.1 secs Computing kpt #: 202 total cpu time spent up to now is 596.2 secs Computing kpt #: 203 total cpu time spent up to now is 599.4 secs Computing kpt #: 204 total cpu time spent up to now is 602.6 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 606.1 secs Computing kpt #: 206 total cpu time spent up to now is 609.3 secs Computing kpt #: 207 total cpu time spent up to now is 612.6 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 616.0 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 619.5 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 622.9 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 626.3 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 629.8 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 633.2 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 636.7 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 640.2 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 643.7 secs ethr = 1.39E-08, avg # of iterations = 88.3 total cpu time spent up to now is 643.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6667 PWs) bands (ev): -33.1900 -33.1900 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -15.2894 -15.2894 -14.6480 -14.6480 -14.6480 -14.6480 -14.5404 -14.5404 -14.4186 -14.4186 -14.3121 -14.3121 -14.2924 -14.2924 -14.2924 -14.2924 -14.2073 -14.2073 -14.2073 -14.2073 -14.1627 -14.1627 -14.1627 -14.1627 -11.9902 -11.9902 -10.5647 -10.5647 -2.3379 -2.3379 -2.3371 -2.3371 -2.3371 -2.3371 -0.9637 -0.9637 -0.9637 -0.9637 -0.9491 -0.9491 1.4637 1.4637 3.7111 3.7111 3.7111 3.7111 3.7127 3.7127 4.0376 4.0376 4.0376 4.0376 4.3912 4.3912 4.5613 4.5613 4.5613 4.5613 6.2173 6.2173 6.2274 6.2274 6.2274 6.2274 9.1108 9.1108 10.0170 10.0170 10.0170 10.0170 10.0670 10.0670 10.0713 10.0713 10.0713 10.0713 10.7694 10.7701 k = 0.0000 0.0179-0.0000 ( 6671 PWs) bands (ev): -33.1900 -33.1900 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -15.2889 -15.2889 -14.6483 -14.6483 -14.6480 -14.6480 -14.5406 -14.5406 -14.4186 -14.4186 -14.3122 -14.3122 -14.2926 -14.2926 -14.2924 -14.2924 -14.2074 -14.2074 -14.2073 -14.2073 -14.1629 -14.1629 -14.1627 -14.1627 -11.9887 -11.9887 -10.5657 -10.5657 -2.3371 -2.3371 -2.3363 -2.3363 -2.3362 -2.3362 -0.9654 -0.9654 -0.9650 -0.9650 -0.9505 -0.9505 1.4663 1.4663 3.7108 3.7108 3.7124 3.7124 3.7137 3.7137 4.0379 4.0379 4.0385 4.0385 4.3913 4.3913 4.5609 4.5609 4.5615 4.5615 6.2157 6.2157 6.2257 6.2257 6.2260 6.2260 9.1103 9.1103 10.0154 10.0154 10.0166 10.0166 10.0657 10.0657 10.0699 10.0699 10.0702 10.0702 10.7702 10.7713 k = 0.0000 0.0357-0.0000 ( 6691 PWs) bands (ev): -33.1900 -33.1900 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -15.2875 -15.2875 -14.6490 -14.6490 -14.6479 -14.6479 -14.5412 -14.5412 -14.4187 -14.4187 -14.3128 -14.3128 -14.2931 -14.2931 -14.2923 -14.2923 -14.2076 -14.2076 -14.2074 -14.2074 -14.1636 -14.1636 -14.1629 -14.1629 -11.9844 -11.9844 -10.5686 -10.5686 -2.3346 -2.3346 -2.3338 -2.3338 -2.3337 -2.3337 -0.9705 -0.9705 -0.9687 -0.9687 -0.9548 -0.9548 1.4742 1.4742 3.7090 3.7090 3.7164 3.7164 3.7175 3.7175 4.0390 4.0390 4.0413 4.0413 4.3917 4.3917 4.5595 4.5595 4.5623 4.5623 6.2110 6.2110 6.2206 6.2206 6.2218 6.2218 9.1087 9.1087 10.0108 10.0108 10.0157 10.0157 10.0618 10.0618 10.0655 10.0655 10.0669 10.0669 10.7731 10.7745 k = 0.0000 0.0536-0.0000 ( 6679 PWs) bands (ev): -33.1899 -33.1899 -33.1706 -33.1706 -33.1705 -33.1705 -33.1705 -33.1705 -15.2852 -15.2852 -14.6501 -14.6501 -14.6476 -14.6476 -14.5422 -14.5422 -14.4187 -14.4187 -14.3136 -14.3136 -14.2939 -14.2939 -14.2920 -14.2920 -14.2078 -14.2078 -14.2075 -14.2075 -14.1647 -14.1647 -14.1631 -14.1631 -11.9773 -11.9773 -10.5736 -10.5736 -2.3305 -2.3305 -2.3297 -2.3297 -2.3295 -2.3295 -0.9791 -0.9791 -0.9748 -0.9748 -0.9617 -0.9617 1.4873 1.4873 3.7059 3.7059 3.7230 3.7230 3.7240 3.7240 4.0409 4.0409 4.0458 4.0458 4.3918 4.3918 4.5571 4.5571 4.5641 4.5641 6.2030 6.2030 6.2125 6.2125 6.2148 6.2148 9.1062 9.1062 10.0033 10.0033 10.0143 10.0143 10.0551 10.0551 10.0582 10.0582 10.0616 10.0616 10.7710 10.7737 k = 0.0000 0.0714-0.0000 ( 6691 PWs) bands (ev): -33.1898 -33.1898 -33.1707 -33.1707 -33.1705 -33.1705 -33.1705 -33.1705 -15.2819 -15.2819 -14.6517 -14.6517 -14.6472 -14.6472 -14.5438 -14.5438 -14.4188 -14.4188 -14.3151 -14.3151 -14.2948 -14.2948 -14.2917 -14.2917 -14.2081 -14.2081 -14.2077 -14.2077 -14.1664 -14.1664 -14.1635 -14.1635 -11.9674 -11.9674 -10.5804 -10.5804 -2.3249 -2.3249 -2.3239 -2.3239 -2.3236 -2.3236 -0.9912 -0.9912 -0.9833 -0.9833 -0.9711 -0.9711 1.5054 1.5054 3.7013 3.7013 3.7321 3.7321 3.7330 3.7330 4.0434 4.0434 4.0521 4.0521 4.3913 4.3913 4.5539 4.5539 4.5674 4.5674 6.1915 6.1915 6.2017 6.2017 6.2052 6.2052 9.1025 9.1025 9.9933 9.9933 10.0126 10.0126 10.0453 10.0453 10.0479 10.0479 10.0545 10.0545 10.7716 10.7731 k = 0.0000 0.0893-0.0000 ( 6699 PWs) bands (ev): -33.1896 -33.1896 -33.1709 -33.1709 -33.1705 -33.1705 -33.1705 -33.1705 -15.2777 -15.2777 -14.6539 -14.6539 -14.6468 -14.6468 -14.5457 -14.5457 -14.4188 -14.4188 -14.3172 -14.3172 -14.2955 -14.2955 -14.2913 -14.2913 -14.2085 -14.2085 -14.2079 -14.2079 -14.1683 -14.1683 -14.1640 -14.1640 -11.9549 -11.9549 -10.5892 -10.5892 -2.3178 -2.3178 -2.3164 -2.3164 -2.3160 -2.3160 -1.0068 -1.0068 -0.9942 -0.9942 -0.9827 -0.9827 1.5283 1.5283 3.6952 3.6952 3.7437 3.7437 3.7445 3.7445 4.0467 4.0467 4.0602 4.0602 4.3895 4.3895 4.5497 4.5497 4.5729 4.5729 6.1761 6.1761 6.1885 6.1885 6.1930 6.1930 9.0976 9.0976 9.9811 9.9811 10.0111 10.0111 10.0323 10.0323 10.0344 10.0344 10.0458 10.0458 10.7708 10.7715 k = 0.0000 0.1071-0.0000 ( 6707 PWs) bands (ev): -33.1895 -33.1895 -33.1710 -33.1710 -33.1705 -33.1705 -33.1705 -33.1705 -15.2725 -15.2725 -14.6566 -14.6566 -14.6462 -14.6462 -14.5480 -14.5480 -14.4188 -14.4188 -14.3202 -14.3202 -14.2961 -14.2961 -14.2908 -14.2908 -14.2090 -14.2090 -14.2081 -14.2081 -14.1705 -14.1705 -14.1646 -14.1646 -11.9397 -11.9397 -10.5999 -10.5999 -2.3092 -2.3092 -2.3072 -2.3072 -2.3068 -2.3068 -1.0256 -1.0256 -1.0073 -1.0073 -0.9964 -0.9964 1.5557 1.5557 3.6874 3.6874 3.7577 3.7577 3.7584 3.7584 4.0507 4.0507 4.0698 4.0698 4.3861 4.3861 4.5447 4.5447 4.5814 4.5814 6.1572 6.1572 6.1733 6.1733 6.1783 6.1783 9.0912 9.0912 9.9671 9.9671 10.0099 10.0099 10.0164 10.0164 10.0180 10.0180 10.0356 10.0356 10.7703 10.7703 k = 0.0000 0.1250-0.0000 ( 6703 PWs) bands (ev): -33.1893 -33.1893 -33.1712 -33.1712 -33.1705 -33.1705 -33.1705 -33.1705 -15.2665 -15.2665 -14.6600 -14.6600 -14.6455 -14.6455 -14.5508 -14.5508 -14.4188 -14.4188 -14.3239 -14.3239 -14.2963 -14.2963 -14.2902 -14.2902 -14.2095 -14.2095 -14.2082 -14.2082 -14.1729 -14.1729 -14.1653 -14.1653 -11.9220 -11.9220 -10.6124 -10.6124 -2.2991 -2.2991 -2.2964 -2.2964 -2.2961 -2.2961 -1.0475 -1.0475 -1.0227 -1.0227 -1.0122 -1.0122 1.5876 1.5876 3.6777 3.6777 3.7739 3.7739 3.7746 3.7746 4.0554 4.0554 4.0809 4.0809 4.3808 4.3808 4.5388 4.5388 4.5931 4.5931 6.1348 6.1348 6.1560 6.1560 6.1613 6.1613 9.0833 9.0833 9.9516 9.9516 9.9972 9.9972 9.9986 9.9986 10.0097 10.0097 10.0242 10.0242 10.7692 10.7692 k = 0.0000 0.1429-0.0000 ( 6711 PWs) bands (ev): -33.1891 -33.1891 -33.1714 -33.1714 -33.1705 -33.1705 -33.1705 -33.1705 -15.2595 -15.2595 -14.6642 -14.6642 -14.6447 -14.6447 -14.5539 -14.5539 -14.4188 -14.4188 -14.3284 -14.3284 -14.2962 -14.2962 -14.2894 -14.2894 -14.2101 -14.2101 -14.2084 -14.2084 -14.1755 -14.1755 -14.1661 -14.1661 -11.9019 -11.9019 -10.6268 -10.6268 -2.2875 -2.2875 -2.2840 -2.2840 -2.2837 -2.2837 -1.0722 -1.0722 -1.0401 -1.0401 -1.0300 -1.0300 1.6235 1.6235 3.6658 3.6658 3.7922 3.7922 3.7928 3.7928 4.0607 4.0607 4.0935 4.0935 4.3738 4.3738 4.5321 4.5321 4.6083 4.6083 6.1094 6.1094 6.1366 6.1366 6.1421 6.1421 9.0738 9.0738 9.9352 9.9352 9.9756 9.9756 9.9765 9.9765 10.0081 10.0081 10.0139 10.0139 10.7673 10.7673 k = 0.0000 0.1607-0.0000 ( 6703 PWs) bands (ev): -33.1888 -33.1888 -33.1717 -33.1717 -33.1705 -33.1705 -33.1705 -33.1705 -15.2516 -15.2516 -14.6692 -14.6692 -14.6438 -14.6438 -14.5572 -14.5572 -14.4188 -14.4188 -14.3334 -14.3334 -14.2959 -14.2959 -14.2887 -14.2887 -14.2108 -14.2108 -14.2086 -14.2086 -14.1780 -14.1780 -14.1670 -14.1670 -11.8796 -11.8796 -10.6430 -10.6430 -2.2744 -2.2744 -2.2700 -2.2700 -2.2698 -2.2698 -1.0992 -1.0992 -1.0594 -1.0594 -1.0498 -1.0498 1.6632 1.6632 3.6516 3.6516 3.8125 3.8125 3.8130 3.8130 4.0668 4.0668 4.1073 4.1073 4.3655 4.3655 4.5246 4.5246 4.6268 4.6268 6.0811 6.0811 6.1153 6.1153 6.1209 6.1209 9.0627 9.0627 9.9181 9.9181 9.9514 9.9514 9.9519 9.9519 9.9961 9.9961 10.0147 10.0147 10.7644 10.7661 k = 0.0000 0.1786-0.0000 ( 6727 PWs) bands (ev): -33.1885 -33.1885 -33.1720 -33.1720 -33.1705 -33.1705 -33.1705 -33.1705 -15.2428 -15.2428 -14.6752 -14.6752 -14.6428 -14.6428 -14.5608 -14.5608 -14.4189 -14.4189 -14.3390 -14.3390 -14.2953 -14.2953 -14.2878 -14.2878 -14.2115 -14.2115 -14.2087 -14.2087 -14.1807 -14.1807 -14.1680 -14.1680 -11.8552 -11.8552 -10.6610 -10.6610 -2.2599 -2.2599 -2.2546 -2.2546 -2.2545 -2.2545 -1.1284 -1.1284 -1.0806 -1.0806 -1.0714 -1.0714 1.7064 1.7064 3.6346 3.6346 3.8345 3.8345 3.8349 3.8349 4.0735 4.0735 4.1222 4.1222 4.3565 4.3565 4.5162 4.5162 4.6485 4.6485 6.0501 6.0501 6.0923 6.0923 6.0979 6.0979 9.0501 9.0501 9.9007 9.9007 9.9252 9.9252 9.9254 9.9254 9.9813 9.9813 10.0192 10.0192 10.6430 10.6430 k = 0.0000 0.1964-0.0000 ( 6711 PWs) bands (ev): -33.1882 -33.1882 -33.1723 -33.1723 -33.1705 -33.1705 -33.1705 -33.1705 -15.2332 -15.2332 -14.6823 -14.6823 -14.6417 -14.6417 -14.5645 -14.5645 -14.4188 -14.4188 -14.3447 -14.3447 -14.2945 -14.2945 -14.2869 -14.2869 -14.2123 -14.2123 -14.2088 -14.2088 -14.1832 -14.1832 -14.1691 -14.1691 -11.8288 -11.8288 -10.6806 -10.6806 -2.2439 -2.2439 -2.2377 -2.2377 -2.2377 -2.2377 -1.1595 -1.1595 -1.1036 -1.1036 -1.0946 -1.0946 1.7527 1.7527 3.6147 3.6147 3.8582 3.8582 3.8584 3.8584 4.0809 4.0809 4.1380 4.1380 4.3472 4.3472 4.5072 4.5072 4.6729 4.6729 6.0169 6.0169 6.0678 6.0678 6.0734 6.0734 9.0362 9.0362 9.8834 9.8834 9.8973 9.8973 9.8974 9.8974 9.9657 9.9657 10.0260 10.0260 10.5172 10.5172 k = 0.0000 0.2143-0.0000 ( 6707 PWs) bands (ev): -33.1879 -33.1879 -33.1726 -33.1726 -33.1705 -33.1705 -33.1705 -33.1705 -15.2227 -15.2227 -14.6906 -14.6906 -14.6405 -14.6405 -14.5683 -14.5683 -14.4188 -14.4188 -14.3507 -14.3507 -14.2935 -14.2935 -14.2859 -14.2859 -14.2131 -14.2131 -14.2090 -14.2090 -14.1855 -14.1855 -14.1702 -14.1702 -11.8006 -11.8006 -10.7020 -10.7020 -2.2265 -2.2265 -2.2196 -2.2196 -2.2194 -2.2194 -1.1922 -1.1922 -1.1280 -1.1280 -1.1195 -1.1195 1.8020 1.8020 3.5914 3.5914 3.8831 3.8831 3.8833 3.8833 4.0890 4.0890 4.1545 4.1545 4.3384 4.3384 4.4975 4.4975 4.6998 4.6998 5.9815 5.9815 6.0420 6.0420 6.0474 6.0474 9.0211 9.0211 9.8658 9.8658 9.8684 9.8684 9.8687 9.8687 9.9495 9.9495 10.0353 10.0353 10.3937 10.3937 k = 0.0000 0.2321-0.0000 ( 6719 PWs) bands (ev): -33.1876 -33.1876 -33.1730 -33.1730 -33.1705 -33.1705 -33.1705 -33.1705 -15.2114 -15.2114 -14.7001 -14.7001 -14.6393 -14.6393 -14.5721 -14.5721 -14.4188 -14.4188 -14.3567 -14.3567 -14.2925 -14.2925 -14.2849 -14.2849 -14.2140 -14.2140 -14.2091 -14.2091 -14.1878 -14.1878 -14.1714 -14.1714 -11.7707 -11.7707 -10.7249 -10.7249 -2.2077 -2.2077 -2.2001 -2.2001 -2.1998 -2.1998 -1.2264 -1.2264 -1.1539 -1.1539 -1.1457 -1.1457 1.8540 1.8540 3.5647 3.5647 3.9092 3.9092 3.9092 3.9092 4.0976 4.0976 4.1715 4.1715 4.3305 4.3305 4.4870 4.4870 4.7289 4.7289 5.9443 5.9443 6.0151 6.0151 6.0204 6.0204 9.0053 9.0053 9.8380 9.8380 9.8388 9.8388 9.8501 9.8501 9.9330 9.9330 10.0469 10.0469 10.2732 10.2732 k = 0.0000 0.2500-0.0000 ( 6719 PWs) bands (ev): -33.1872 -33.1872 -33.1734 -33.1734 -33.1705 -33.1705 -33.1705 -33.1705 -15.1992 -15.1992 -14.7110 -14.7110 -14.6380 -14.6380 -14.5758 -14.5758 -14.4187 -14.4187 -14.3625 -14.3625 -14.2913 -14.2913 -14.2839 -14.2839 -14.2149 -14.2149 -14.2093 -14.2093 -14.1899 -14.1899 -14.1726 -14.1726 -11.7393 -11.7393 -10.7494 -10.7494 -2.1876 -2.1876 -2.1795 -2.1795 -2.1791 -2.1791 -1.2616 -1.2616 -1.1811 -1.1811 -1.1732 -1.1732 1.9083 1.9083 3.5344 3.5344 3.9360 3.9360 3.9361 3.9361 4.1068 4.1068 4.1889 4.1889 4.3238 4.3238 4.4760 4.4760 4.7599 4.7599 5.9055 5.9055 5.9875 5.9875 5.9926 5.9926 8.9892 8.9892 9.8081 9.8081 9.8090 9.8090 9.8342 9.8342 9.9163 9.9163 10.0609 10.0609 10.1559 10.1559 k = 0.0000 0.2679-0.0000 ( 6703 PWs) bands (ev): -33.1868 -33.1868 -33.1738 -33.1738 -33.1705 -33.1705 -33.1705 -33.1705 -15.1862 -15.1862 -14.7231 -14.7231 -14.6366 -14.6366 -14.5793 -14.5793 -14.4186 -14.4186 -14.3681 -14.3681 -14.2900 -14.2900 -14.2828 -14.2828 -14.2159 -14.2159 -14.2095 -14.2095 -14.1918 -14.1918 -14.1739 -14.1739 -11.7065 -11.7065 -10.7754 -10.7754 -2.1662 -2.1662 -2.1577 -2.1577 -2.1572 -2.1572 -1.2978 -1.2978 -1.2092 -1.2092 -1.2017 -1.2017 1.9647 1.9647 3.5003 3.5003 3.9634 3.9634 3.9635 3.9635 4.1166 4.1166 4.2063 4.2063 4.3187 4.3187 4.4644 4.4644 4.7926 4.7926 5.8653 5.8653 5.9593 5.9593 5.9643 5.9643 8.9733 8.9733 9.7785 9.7785 9.7795 9.7795 9.8193 9.8193 9.8996 9.8996 10.0423 10.0423 10.0774 10.0774 k = 0.0000 0.2857-0.0000 ( 6695 PWs) bands (ev): -33.1863 -33.1863 -33.1742 -33.1742 -33.1705 -33.1705 -33.1705 -33.1705 -15.1725 -15.1725 -14.7366 -14.7366 -14.6351 -14.6351 -14.5826 -14.5826 -14.4184 -14.4184 -14.3734 -14.3734 -14.2886 -14.2886 -14.2817 -14.2817 -14.2168 -14.2168 -14.2098 -14.2098 -14.1934 -14.1934 -14.1752 -14.1752 -11.6724 -11.6724 -10.8028 -10.8028 -2.1435 -2.1435 -2.1349 -2.1349 -2.1343 -2.1343 -1.3348 -1.3348 -1.2383 -1.2383 -1.2311 -1.2311 2.0231 2.0231 3.4625 3.4625 3.9910 3.9910 3.9912 3.9912 4.1270 4.1270 4.2235 4.2235 4.3152 4.3152 4.4523 4.4523 4.8268 4.8268 5.8240 5.8240 5.9310 5.9310 5.9357 5.9357 8.9581 8.9581 9.7495 9.7495 9.7506 9.7506 9.8054 9.8054 9.8831 9.8831 9.9328 9.9328 10.0960 10.0960 k = 0.0000 0.3036-0.0000 ( 6691 PWs) bands (ev): -33.1859 -33.1859 -33.1746 -33.1746 -33.1705 -33.1705 -33.1705 -33.1705 -15.1579 -15.1579 -14.7513 -14.7513 -14.6335 -14.6335 -14.5859 -14.5859 -14.4182 -14.4182 -14.3783 -14.3783 -14.2872 -14.2872 -14.2806 -14.2806 -14.2178 -14.2178 -14.2102 -14.2102 -14.1948 -14.1948 -14.1766 -14.1766 -11.6373 -11.6373 -10.8316 -10.8316 -2.1195 -2.1195 -2.1113 -2.1113 -2.1105 -2.1105 -1.3723 -1.3723 -1.2680 -1.2680 -1.2612 -1.2612 2.0831 2.0831 3.4211 3.4211 4.0185 4.0185 4.0188 4.0188 4.1379 4.1379 4.2403 4.2403 4.3134 4.3134 4.4397 4.4397 4.8623 4.8623 5.7817 5.7817 5.9028 5.9028 5.9073 5.9073 8.9442 8.9442 9.7217 9.7217 9.7228 9.7228 9.7925 9.7925 9.8278 9.8278 9.8670 9.8670 10.1167 10.1167 k = 0.0000 0.3214-0.0000 ( 6688 PWs) bands (ev): -33.1854 -33.1854 -33.1751 -33.1751 -33.1705 -33.1705 -33.1705 -33.1705 -15.1427 -15.1427 -14.7671 -14.7671 -14.6319 -14.6319 -14.5889 -14.5889 -14.4180 -14.4180 -14.3830 -14.3830 -14.2858 -14.2858 -14.2795 -14.2795 -14.2187 -14.2187 -14.2109 -14.2109 -14.1958 -14.1958 -14.1780 -14.1780 -11.6012 -11.6012 -10.8617 -10.8617 -2.0943 -2.0943 -2.0870 -2.0870 -2.0860 -2.0860 -1.4103 -1.4103 -1.2981 -1.2981 -1.2917 -1.2917 2.1446 2.1446 3.3763 3.3763 4.0456 4.0456 4.0460 4.0460 4.1493 4.1493 4.2564 4.2564 4.3133 4.3133 4.4267 4.4267 4.8989 4.8989 5.7387 5.7387 5.8751 5.8751 5.8793 5.8793 8.9323 8.9323 9.6952 9.6952 9.6963 9.6963 9.7270 9.7270 9.7813 9.7813 9.8513 9.8513 10.1392 10.1392 k = 0.0000 0.3393-0.0000 ( 6688 PWs) bands (ev): -33.1850 -33.1850 -33.1755 -33.1755 -33.1705 -33.1705 -33.1705 -33.1705 -15.1268 -15.1268 -14.7839 -14.7839 -14.6303 -14.6303 -14.5918 -14.5918 -14.4177 -14.4177 -14.3872 -14.3872 -14.2844 -14.2844 -14.2784 -14.2784 -14.2196 -14.2196 -14.2118 -14.2118 -14.1964 -14.1964 -14.1794 -14.1794 -11.5643 -11.5643 -10.8930 -10.8930 -2.0680 -2.0680 -2.0622 -2.0622 -2.0611 -2.0611 -1.4485 -1.4485 -1.3283 -1.3283 -1.3223 -1.3223 2.2073 2.2073 3.3283 3.3283 4.0719 4.0719 4.0724 4.0724 4.1611 4.1611 4.2716 4.2716 4.3145 4.3145 4.4133 4.4133 4.9365 4.9365 5.6952 5.6952 5.8483 5.8483 5.8522 5.8522 8.9228 8.9228 9.6316 9.6316 9.6705 9.6705 9.6716 9.6716 9.7711 9.7711 9.8363 9.8363 10.1635 10.1635 k = 0.0000 0.3571-0.0000 ( 6688 PWs) bands (ev): -33.1845 -33.1845 -33.1760 -33.1760 -33.1705 -33.1705 -33.1705 -33.1705 -15.1103 -15.1103 -14.8016 -14.8016 -14.6285 -14.6285 -14.5946 -14.5946 -14.4173 -14.4173 -14.3910 -14.3910 -14.2830 -14.2830 -14.2775 -14.2775 -14.2204 -14.2204 -14.2128 -14.2128 -14.1967 -14.1967 -14.1808 -14.1808 -11.5267 -11.5267 -10.9254 -10.9254 -2.0406 -2.0406 -2.0372 -2.0372 -2.0359 -2.0359 -1.4868 -1.4868 -1.3584 -1.3584 -1.3528 -1.3528 2.2710 2.2710 3.2774 3.2774 4.0970 4.0970 4.0975 4.0975 4.1734 4.1734 4.2857 4.2857 4.3169 4.3169 4.3996 4.3996 4.9749 4.9749 5.6514 5.6514 5.8228 5.8228 5.8264 5.8264 8.9165 8.9165 9.5414 9.5414 9.6477 9.6477 9.6488 9.6488 9.7624 9.7624 9.8220 9.8220 10.1892 10.1892 k = 0.0000 0.3750-0.0000 ( 6676 PWs) bands (ev): -33.1840 -33.1840 -33.1765 -33.1765 -33.1705 -33.1705 -33.1705 -33.1705 -15.0931 -15.0931 -14.8200 -14.8200 -14.6268 -14.6268 -14.5972 -14.5972 -14.4168 -14.4168 -14.3945 -14.3945 -14.2816 -14.2816 -14.2766 -14.2766 -14.2211 -14.2211 -14.2140 -14.2140 -14.1967 -14.1967 -14.1822 -14.1822 -11.4885 -11.4885 -10.9589 -10.9589 -2.0125 -2.0125 -2.0123 -2.0123 -2.0103 -2.0103 -1.5251 -1.5251 -1.3878 -1.3878 -1.3827 -1.3827 2.3356 2.3356 3.2238 3.2238 4.1205 4.1205 4.1210 4.1210 4.1862 4.1862 4.2984 4.2984 4.3202 4.3202 4.3855 4.3855 5.0140 5.0140 5.6073 5.6073 5.7990 5.7990 5.8022 5.8022 8.9138 8.9138 9.4568 9.4568 9.6272 9.6272 9.6281 9.6281 9.7552 9.7552 9.8086 9.8086 10.2161 10.2161 k = 0.0000 0.3929-0.0000 ( 6668 PWs) bands (ev): -33.1835 -33.1835 -33.1770 -33.1770 -33.1704 -33.1704 -33.1704 -33.1704 -15.0753 -15.0753 -14.8391 -14.8391 -14.6249 -14.6249 -14.5997 -14.5997 -14.4163 -14.4163 -14.3976 -14.3976 -14.2803 -14.2803 -14.2758 -14.2758 -14.2216 -14.2216 -14.2152 -14.2152 -14.1964 -14.1964 -14.1836 -14.1836 -11.4499 -11.4499 -10.9933 -10.9933 -1.9878 -1.9878 -1.9868 -1.9868 -1.9819 -1.9819 -1.5633 -1.5633 -1.4162 -1.4162 -1.4115 -1.4115 2.4009 2.4009 3.1677 3.1677 4.1421 4.1421 4.1426 4.1426 4.1992 4.1992 4.3097 4.3097 4.3240 4.3240 4.3713 4.3713 5.0538 5.0538 5.5632 5.5632 5.7773 5.7773 5.7801 5.7801 8.9153 8.9153 9.3779 9.3779 9.6090 9.6090 9.6099 9.6099 9.7495 9.7495 9.7962 9.7962 10.2441 10.2441 k = 0.0000 0.4107-0.0000 ( 6656 PWs) bands (ev): -33.1829 -33.1829 -33.1776 -33.1776 -33.1704 -33.1704 -33.1704 -33.1704 -15.0570 -15.0570 -14.8586 -14.8586 -14.6231 -14.6231 -14.6021 -14.6021 -14.4156 -14.4156 -14.4004 -14.4004 -14.2790 -14.2790 -14.2751 -14.2751 -14.2221 -14.2221 -14.2165 -14.2165 -14.1959 -14.1959 -14.1849 -14.1849 -11.4110 -11.4110 -11.0287 -11.0287 -1.9645 -1.9645 -1.9633 -1.9633 -1.9514 -1.9514 -1.6013 -1.6013 -1.4429 -1.4429 -1.4388 -1.4388 2.4667 2.4667 3.1096 3.1096 4.1612 4.1612 4.1616 4.1616 4.2127 4.2127 4.3192 4.3192 4.3281 4.3281 4.3569 4.3569 5.0941 5.0941 5.5191 5.5191 5.7581 5.7581 5.7605 5.7605 8.9215 8.9215 9.3050 9.3050 9.5934 9.5934 9.5941 9.5941 9.7452 9.7452 9.7849 9.7849 10.2729 10.2729 k = 0.0000 0.4286-0.0000 ( 6680 PWs) bands (ev): -33.1824 -33.1824 -33.1781 -33.1781 -33.1704 -33.1704 -33.1704 -33.1704 -15.0383 -15.0383 -14.8785 -14.8785 -14.6212 -14.6212 -14.6045 -14.6045 -14.4149 -14.4149 -14.4030 -14.4030 -14.2779 -14.2779 -14.2747 -14.2747 -14.2224 -14.2224 -14.2178 -14.2178 -14.1952 -14.1952 -14.1864 -14.1864 -11.3719 -11.3719 -11.0648 -11.0648 -1.9430 -1.9430 -1.9418 -1.9418 -1.9198 -1.9198 -1.6390 -1.6390 -1.4671 -1.4671 -1.4636 -1.4636 2.5328 2.5328 3.0497 3.0497 4.1775 4.1775 4.1779 4.1779 4.2264 4.2264 4.3270 4.3270 4.3321 4.3321 4.3424 4.3424 5.1349 5.1349 5.4752 5.4752 5.7417 5.7417 5.7437 5.7437 8.9327 8.9327 9.2383 9.2383 9.5805 9.5805 9.5811 9.5811 9.7425 9.7425 9.7747 9.7747 10.3024 10.3024 k = 0.0000 0.4464-0.0000 ( 6684 PWs) bands (ev): -33.1819 -33.1819 -33.1786 -33.1786 -33.1704 -33.1704 -33.1704 -33.1704 -15.0190 -15.0190 -14.8987 -14.8987 -14.6192 -14.6192 -14.6067 -14.6067 -14.4141 -14.4141 -14.4053 -14.4053 -14.2769 -14.2769 -14.2744 -14.2744 -14.2225 -14.2225 -14.2190 -14.2190 -14.1944 -14.1944 -14.1878 -14.1878 -11.3327 -11.3327 -11.1017 -11.1017 -1.9242 -1.9242 -1.9232 -1.9232 -1.8873 -1.8873 -1.6762 -1.6762 -1.4878 -1.4878 -1.4850 -1.4850 2.5990 2.5990 2.9881 2.9881 4.1906 4.1906 4.1909 4.1909 4.2404 4.2404 4.3271 4.3271 4.3336 4.3336 4.3357 4.3357 5.1761 5.1761 5.4315 5.4315 5.7287 5.7287 5.7302 5.7302 8.9494 8.9494 9.1779 9.1779 9.5703 9.5703 9.5707 9.5707 9.7413 9.7413 9.7658 9.7658 10.3322 10.3322 k = 0.0000 0.4643-0.0000 ( 6672 PWs) bands (ev): -33.1813 -33.1813 -33.1792 -33.1792 -33.1704 -33.1704 -33.1704 -33.1704 -14.9995 -14.9995 -14.9189 -14.9189 -14.6173 -14.6173 -14.6089 -14.6089 -14.4130 -14.4130 -14.4072 -14.4072 -14.2760 -14.2760 -14.2743 -14.2743 -14.2224 -14.2224 -14.2200 -14.2200 -14.1936 -14.1936 -14.1890 -14.1890 -11.2935 -11.2935 -11.1392 -11.1392 -1.9094 -1.9094 -1.9086 -1.9086 -1.8540 -1.8540 -1.7130 -1.7130 -1.5037 -1.5037 -1.5018 -1.5018 2.6652 2.6652 2.9253 2.9253 4.2002 4.2002 4.2004 4.2004 4.2546 4.2546 4.3128 4.3128 4.3376 4.3376 4.3385 4.3385 5.2177 5.2177 5.3881 5.3881 5.7192 5.7192 5.7202 5.7202 8.9719 8.9719 9.1239 9.1239 9.5630 9.5630 9.5633 9.5633 9.7417 9.7417 9.7581 9.7581 10.3623 10.3624 k = 0.0000 0.4821-0.0000 ( 6684 PWs) bands (ev): -33.1808 -33.1808 -33.1797 -33.1797 -33.1704 -33.1704 -33.1704 -33.1704 -14.9796 -14.9796 -14.9393 -14.9393 -14.6153 -14.6153 -14.6111 -14.6111 -14.4118 -14.4118 -14.4089 -14.4089 -14.2752 -14.2752 -14.2744 -14.2744 -14.2221 -14.2221 -14.2209 -14.2209 -14.1926 -14.1926 -14.1903 -14.1903 -11.2545 -11.2545 -11.1772 -11.1772 -1.8998 -1.8998 -1.8993 -1.8993 -1.8198 -1.8198 -1.7493 -1.7493 -1.5138 -1.5138 -1.5128 -1.5128 2.7311 2.7311 2.8613 2.8613 4.2061 4.2061 4.2062 4.2062 4.2690 4.2690 4.2981 4.2981 4.3401 4.3401 4.3404 4.3404 5.2598 5.2598 5.3450 5.3450 5.7135 5.7135 5.7140 5.7140 9.0005 9.0005 9.0764 9.0764 9.5587 9.5587 9.5588 9.5588 9.7436 9.7436 9.7518 9.7518 10.3924 10.3926 k = 0.0000 0.5000-0.0000 ( 6696 PWs) bands (ev): -33.1803 -33.1803 -33.1803 -33.1803 -33.1704 -33.1704 -33.1704 -33.1704 -14.9595 -14.9595 -14.9595 -14.9595 -14.6132 -14.6132 -14.6132 -14.6132 -14.4105 -14.4105 -14.4105 -14.4105 -14.2747 -14.2747 -14.2747 -14.2747 -14.2216 -14.2216 -14.2216 -14.2216 -14.1915 -14.1915 -14.1915 -14.1915 -11.2157 -11.2157 -11.2157 -11.2157 -1.8962 -1.8962 -1.8962 -1.8962 -1.7849 -1.7849 -1.7849 -1.7849 -1.5169 -1.5169 -1.5169 -1.5169 2.7965 2.7965 2.7965 2.7965 4.2081 4.2081 4.2081 4.2081 4.2835 4.2835 4.2835 4.2835 4.3409 4.3409 4.3409 4.3409 5.3022 5.3022 5.3022 5.3022 5.7118 5.7118 5.7118 5.7118 9.0352 9.0352 9.0352 9.0352 9.5573 9.5573 9.5573 9.5573 9.7470 9.7470 9.7470 9.7470 10.4223 10.4223 k = 0.0000 0.5000-0.0000 ( 6696 PWs) bands (ev): -33.1803 -33.1803 -33.1803 -33.1803 -33.1704 -33.1704 -33.1704 -33.1704 -14.9595 -14.9595 -14.9595 -14.9595 -14.6132 -14.6132 -14.6132 -14.6132 -14.4105 -14.4105 -14.4105 -14.4105 -14.2747 -14.2747 -14.2747 -14.2747 -14.2216 -14.2216 -14.2216 -14.2216 -14.1915 -14.1915 -14.1915 -14.1915 -11.2157 -11.2157 -11.2157 -11.2157 -1.8962 -1.8962 -1.8962 -1.8962 -1.7849 -1.7849 -1.7849 -1.7849 -1.5169 -1.5169 -1.5169 -1.5169 2.7965 2.7965 2.7965 2.7965 4.2081 4.2081 4.2081 4.2081 4.2835 4.2835 4.2835 4.2835 4.3409 4.3409 4.3409 4.3409 5.3022 5.3022 5.3022 5.3022 5.7118 5.7118 5.7118 5.7118 9.0352 9.0352 9.0352 9.0352 9.5573 9.5573 9.5573 9.5573 9.7470 9.7470 9.7470 9.7470 10.4223 10.4223 k = 0.0179 0.5000-0.0000 ( 6692 PWs) bands (ev): -33.1803 -33.1803 -33.1803 -33.1803 -33.1704 -33.1704 -33.1704 -33.1704 -14.9603 -14.9603 -14.9588 -14.9588 -14.6148 -14.6148 -14.6117 -14.6117 -14.4116 -14.4116 -14.4093 -14.4093 -14.2768 -14.2768 -14.2727 -14.2727 -14.2219 -14.2219 -14.2215 -14.2215 -14.1917 -14.1917 -14.1913 -14.1913 -11.2158 -11.2158 -11.2156 -11.2156 -1.9005 -1.9005 -1.9003 -1.9003 -1.7822 -1.7822 -1.7812 -1.7812 -1.5162 -1.5162 -1.5149 -1.5149 2.7959 2.7959 2.7962 2.7962 4.2053 4.2053 4.2055 4.2055 4.2839 4.2839 4.2840 4.2840 4.3432 4.3432 4.3436 4.3436 5.3023 5.3023 5.3029 5.3029 5.7120 5.7120 5.7122 5.7122 9.0303 9.0303 9.0306 9.0306 9.5570 9.5570 9.5577 9.5577 9.7510 9.7510 9.7513 9.7513 10.4195 10.4201 k = 0.0357 0.5000-0.0000 ( 6680 PWs) bands (ev): -33.1802 -33.1802 -33.1802 -33.1802 -33.1705 -33.1705 -33.1705 -33.1705 -14.9612 -14.9612 -14.9581 -14.9581 -14.6163 -14.6163 -14.6102 -14.6102 -14.4127 -14.4127 -14.4080 -14.4080 -14.2787 -14.2787 -14.2706 -14.2706 -14.2222 -14.2222 -14.2214 -14.2214 -14.1918 -14.1918 -14.1909 -14.1909 -11.2158 -11.2158 -11.2155 -11.2155 -1.9118 -1.9118 -1.9113 -1.9113 -1.7745 -1.7745 -1.7726 -1.7726 -1.5126 -1.5126 -1.5101 -1.5101 2.7944 2.7944 2.7949 2.7949 4.1974 4.1974 4.1978 4.1978 4.2851 4.2851 4.2853 4.2853 4.3500 4.3500 4.3507 4.3507 5.3033 5.3033 5.3045 5.3045 5.7130 5.7130 5.7134 5.7134 9.0160 9.0160 9.0166 9.0166 9.5570 9.5570 9.5583 9.5583 9.7628 9.7628 9.7634 9.7634 10.4116 10.4120 k = 0.0536 0.5000-0.0000 ( 6676 PWs) bands (ev): -33.1802 -33.1802 -33.1802 -33.1802 -33.1705 -33.1705 -33.1705 -33.1705 -14.9620 -14.9620 -14.9574 -14.9574 -14.6179 -14.6179 -14.6087 -14.6087 -14.4138 -14.4138 -14.4068 -14.4068 -14.2806 -14.2806 -14.2686 -14.2686 -14.2225 -14.2225 -14.2213 -14.2213 -14.1919 -14.1919 -14.1907 -14.1907 -11.2158 -11.2158 -11.2153 -11.2153 -1.9277 -1.9277 -1.9269 -1.9269 -1.7641 -1.7641 -1.7614 -1.7614 -1.5062 -1.5062 -1.5026 -1.5026 2.7920 2.7920 2.7927 2.7927 4.1859 4.1859 4.1866 4.1866 4.2871 4.2871 4.2874 4.2874 4.3599 4.3599 4.3608 4.3608 5.3051 5.3051 5.3070 5.3070 5.7147 5.7147 5.7153 5.7153 8.9932 8.9932 8.9940 8.9940 9.5581 9.5581 9.5597 9.5597 9.7812 9.7812 9.7818 9.7818 10.4001 10.4012 k = 0.0714 0.5000-0.0000 ( 6676 PWs) bands (ev): -33.1801 -33.1801 -33.1801 -33.1801 -33.1706 -33.1706 -33.1706 -33.1706 -14.9628 -14.9628 -14.9568 -14.9568 -14.6195 -14.6195 -14.6074 -14.6074 -14.4148 -14.4148 -14.4056 -14.4056 -14.2823 -14.2823 -14.2665 -14.2665 -14.2229 -14.2229 -14.2214 -14.2214 -14.1920 -14.1920 -14.1904 -14.1904 -11.2157 -11.2157 -11.2151 -11.2151 -1.9463 -1.9463 -1.9452 -1.9452 -1.7529 -1.7529 -1.7495 -1.7495 -1.4971 -1.4971 -1.4926 -1.4926 2.7887 2.7887 2.7897 2.7897 4.1720 4.1720 4.1729 4.1729 4.2898 4.2898 4.2902 4.2902 4.3718 4.3718 4.3729 4.3729 5.3079 5.3079 5.3103 5.3103 5.7170 5.7170 5.7178 5.7178 8.9630 8.9630 8.9640 8.9640 9.5605 9.5605 9.5622 9.5622 9.8046 9.8046 9.8051 9.8051 10.3834 10.3856 k = 0.0893 0.5000-0.0000 ( 6688 PWs) bands (ev): -33.1801 -33.1801 -33.1801 -33.1801 -33.1706 -33.1706 -33.1706 -33.1706 -14.9636 -14.9636 -14.9562 -14.9562 -14.6210 -14.6210 -14.6062 -14.6062 -14.4157 -14.4157 -14.4043 -14.4043 -14.2840 -14.2840 -14.2645 -14.2645 -14.2234 -14.2234 -14.2215 -14.2215 -14.1922 -14.1922 -14.1902 -14.1902 -11.2157 -11.2157 -11.2149 -11.2149 -1.9663 -1.9663 -1.9649 -1.9649 -1.7418 -1.7418 -1.7380 -1.7380 -1.4855 -1.4855 -1.4802 -1.4802 2.7846 2.7846 2.7858 2.7858 4.1566 4.1566 4.1578 4.1578 4.2932 4.2932 4.2937 4.2937 4.3848 4.3848 4.3860 4.3860 5.3116 5.3116 5.3145 5.3145 5.7200 5.7200 5.7210 5.7210 8.9267 8.9267 8.9278 8.9278 9.5645 9.5645 9.5662 9.5662 9.8313 9.8313 9.8317 9.8317 10.3642 10.3670 k = 0.1071 0.5000-0.0000 ( 6686 PWs) bands (ev): -33.1800 -33.1800 -33.1800 -33.1800 -33.1707 -33.1707 -33.1707 -33.1707 -14.9644 -14.9644 -14.9557 -14.9557 -14.6224 -14.6224 -14.6051 -14.6051 -14.4165 -14.4165 -14.4031 -14.4031 -14.2855 -14.2855 -14.2625 -14.2625 -14.2238 -14.2238 -14.2217 -14.2217 -14.1923 -14.1923 -14.1899 -14.1899 -11.2155 -11.2155 -11.2146 -11.2146 -1.9870 -1.9870 -1.9853 -1.9853 -1.7315 -1.7315 -1.7274 -1.7274 -1.4715 -1.4715 -1.4656 -1.4656 2.7797 2.7797 2.7811 2.7811 4.1404 4.1404 4.1418 4.1418 4.2972 4.2972 4.2978 4.2978 4.3982 4.3982 4.3995 4.3995 5.3162 5.3162 5.3196 5.3196 5.7235 5.7235 5.7246 5.7246 8.8854 8.8854 8.8865 8.8865 9.5701 9.5701 9.5718 9.5718 9.8600 9.8600 9.8602 9.8602 10.3431 10.3434 k = 0.1250 0.5000-0.0000 ( 6682 PWs) bands (ev): -33.1799 -33.1799 -33.1799 -33.1799 -33.1708 -33.1708 -33.1708 -33.1708 -14.9652 -14.9652 -14.9553 -14.9553 -14.6237 -14.6237 -14.6041 -14.6041 -14.4172 -14.4172 -14.4020 -14.4020 -14.2868 -14.2868 -14.2606 -14.2606 -14.2244 -14.2244 -14.2219 -14.2219 -14.1924 -14.1924 -14.1896 -14.1896 -11.2154 -11.2154 -11.2143 -11.2143 -2.0080 -2.0080 -2.0061 -2.0061 -1.7221 -1.7221 -1.7178 -1.7178 -1.4556 -1.4556 -1.4492 -1.4492 2.7741 2.7741 2.7757 2.7757 4.1237 4.1237 4.1254 4.1254 4.3018 4.3018 4.3025 4.3025 4.4117 4.4117 4.4131 4.4131 5.3218 5.3218 5.3256 5.3256 5.7276 5.7276 5.7288 5.7288 8.8403 8.8403 8.8414 8.8414 9.5773 9.5773 9.5787 9.5787 9.8896 9.8896 9.8897 9.8897 10.3211 10.3214 k = 0.1429 0.5000-0.0000 ( 6688 PWs) bands (ev): -33.1798 -33.1798 -33.1798 -33.1798 -33.1709 -33.1709 -33.1709 -33.1709 -14.9659 -14.9659 -14.9550 -14.9550 -14.6249 -14.6249 -14.6033 -14.6033 -14.4178 -14.4178 -14.4009 -14.4009 -14.2879 -14.2879 -14.2588 -14.2588 -14.2249 -14.2249 -14.2223 -14.2223 -14.1924 -14.1924 -14.1893 -14.1893 -11.2152 -11.2152 -11.2140 -11.2140 -2.0290 -2.0290 -2.0269 -2.0269 -1.7137 -1.7137 -1.7092 -1.7092 -1.4379 -1.4379 -1.4313 -1.4313 2.7678 2.7678 2.7696 2.7696 4.1069 4.1069 4.1088 4.1088 4.3068 4.3068 4.3077 4.3077 4.4250 4.4250 4.4264 4.4264 5.3284 5.3284 5.3325 5.3325 5.7320 5.7320 5.7333 5.7333 8.7923 8.7923 8.7934 8.7934 9.5857 9.5857 9.5869 9.5869 9.9190 9.9190 9.9194 9.9194 10.2995 10.2996 k = 0.1607 0.5000-0.0000 ( 6686 PWs) bands (ev): -33.1797 -33.1797 -33.1797 -33.1797 -33.1710 -33.1710 -33.1710 -33.1710 -14.9666 -14.9666 -14.9548 -14.9548 -14.6260 -14.6260 -14.6027 -14.6027 -14.4184 -14.4184 -14.4000 -14.4000 -14.2888 -14.2888 -14.2571 -14.2571 -14.2255 -14.2255 -14.2227 -14.2227 -14.1925 -14.1925 -14.1890 -14.1890 -11.2150 -11.2150 -11.2137 -11.2137 -2.0497 -2.0497 -2.0475 -2.0475 -1.7061 -1.7061 -1.7017 -1.7017 -1.4191 -1.4191 -1.4123 -1.4123 2.7610 2.7610 2.7629 2.7629 4.0901 4.0901 4.0922 4.0922 4.3123 4.3123 4.3132 4.3132 4.4380 4.4380 4.4394 4.4394 5.3360 5.3360 5.3402 5.3402 5.7368 5.7368 5.7382 5.7382 8.7421 8.7421 8.7431 8.7431 9.5951 9.5951 9.5960 9.5960 9.9474 9.9474 9.9481 9.9481 10.2795 10.2828 k = 0.1786 0.5000-0.0000 ( 6686 PWs) bands (ev): -33.1796 -33.1796 -33.1796 -33.1796 -33.1711 -33.1711 -33.1711 -33.1711 -14.9672 -14.9672 -14.9547 -14.9547 -14.6269 -14.6269 -14.6022 -14.6022 -14.4188 -14.4188 -14.3992 -14.3992 -14.2894 -14.2894 -14.2555 -14.2555 -14.2260 -14.2260 -14.2232 -14.2232 -14.1925 -14.1925 -14.1887 -14.1887 -11.2148 -11.2148 -11.2134 -11.2134 -2.0699 -2.0699 -2.0676 -2.0676 -1.6993 -1.6993 -1.6950 -1.6950 -1.3993 -1.3993 -1.3926 -1.3926 2.7536 2.7536 2.7557 2.7557 4.0735 4.0735 4.0758 4.0758 4.3180 4.3180 4.3190 4.3190 4.4506 4.4506 4.4518 4.4518 5.3445 5.3445 5.3489 5.3489 5.7418 5.7418 5.7433 5.7433 8.6904 8.6904 8.6915 8.6915 9.6051 9.6051 9.6056 9.6056 9.9739 9.9739 9.9750 9.9750 10.2623 10.2630 k = 0.1964 0.5000-0.0000 ( 6688 PWs) bands (ev): -33.1795 -33.1795 -33.1795 -33.1795 -33.1712 -33.1712 -33.1712 -33.1712 -14.9677 -14.9677 -14.9546 -14.9546 -14.6277 -14.6277 -14.6019 -14.6019 -14.4192 -14.4192 -14.3985 -14.3985 -14.2898 -14.2898 -14.2541 -14.2541 -14.2266 -14.2266 -14.2238 -14.2238 -14.1924 -14.1924 -14.1885 -14.1885 -11.2145 -11.2145 -11.2131 -11.2131 -2.0896 -2.0896 -2.0872 -2.0872 -1.6932 -1.6932 -1.6890 -1.6890 -1.3790 -1.3790 -1.3723 -1.3723 2.7459 2.7459 2.7481 2.7481 4.0574 4.0574 4.0598 4.0598 4.3239 4.3239 4.3250 4.3250 4.4627 4.4627 4.4638 4.4638 5.3539 5.3539 5.3584 5.3584 5.7469 5.7469 5.7485 5.7485 8.6380 8.6380 8.6390 8.6390 9.6153 9.6153 9.6154 9.6154 9.9976 9.9976 9.9992 9.9992 10.2489 10.2492 k = 0.2143 0.5000-0.0000 ( 6682 PWs) bands (ev): -33.1793 -33.1793 -33.1793 -33.1793 -33.1713 -33.1713 -33.1713 -33.1713 -14.9682 -14.9682 -14.9547 -14.9547 -14.6283 -14.6283 -14.6017 -14.6017 -14.4194 -14.4194 -14.3980 -14.3980 -14.2899 -14.2899 -14.2528 -14.2528 -14.2272 -14.2272 -14.2244 -14.2244 -14.1924 -14.1924 -14.1882 -14.1882 -11.2142 -11.2142 -11.2128 -11.2128 -2.1085 -2.1085 -2.1062 -2.1062 -1.6876 -1.6876 -1.6837 -1.6837 -1.3584 -1.3584 -1.3520 -1.3520 2.7379 2.7379 2.7401 2.7401 4.0417 4.0417 4.0442 4.0442 4.3299 4.3299 4.3311 4.3311 4.4742 4.4742 4.4752 4.4752 5.3642 5.3642 5.3687 5.3687 5.7521 5.7521 5.7538 5.7538 8.5853 8.5853 8.5862 8.5862 9.6249 9.6249 9.6251 9.6251 10.0176 10.0176 10.0198 10.0198 10.2415 10.2416 k = 0.2321 0.5000-0.0000 ( 6682 PWs) bands (ev): -33.1792 -33.1792 -33.1792 -33.1792 -33.1715 -33.1715 -33.1715 -33.1715 -14.9686 -14.9686 -14.9549 -14.9549 -14.6288 -14.6288 -14.6017 -14.6017 -14.4196 -14.4196 -14.3977 -14.3977 -14.2897 -14.2897 -14.2517 -14.2517 -14.2277 -14.2277 -14.2251 -14.2251 -14.1922 -14.1922 -14.1879 -14.1879 -11.2139 -11.2139 -11.2124 -11.2124 -2.1267 -2.1267 -2.1243 -2.1243 -1.6826 -1.6826 -1.6789 -1.6789 -1.3379 -1.3379 -1.3317 -1.3317 2.7297 2.7297 2.7320 2.7320 4.0265 4.0265 4.0292 4.0292 4.3360 4.3360 4.3371 4.3371 4.4852 4.4852 4.4860 4.4860 5.3753 5.3753 5.3797 5.3797 5.7573 5.7573 5.7589 5.7589 8.5328 8.5328 8.5337 8.5337 9.6336 9.6336 9.6342 9.6342 10.0336 10.0336 10.0366 10.0366 10.2408 10.2417 k = 0.2500 0.5000-0.0000 ( 6666 PWs) bands (ev): -33.1790 -33.1790 -33.1790 -33.1790 -33.1716 -33.1716 -33.1716 -33.1716 -14.9689 -14.9689 -14.9551 -14.9551 -14.6290 -14.6290 -14.6019 -14.6019 -14.4196 -14.4196 -14.3976 -14.3976 -14.2893 -14.2893 -14.2507 -14.2507 -14.2282 -14.2282 -14.2259 -14.2259 -14.1921 -14.1921 -14.1877 -14.1877 -11.2136 -11.2136 -11.2121 -11.2121 -2.1440 -2.1440 -2.1416 -2.1416 -1.6779 -1.6779 -1.6745 -1.6745 -1.3176 -1.3176 -1.3117 -1.3117 2.7214 2.7214 2.7237 2.7237 4.0121 4.0121 4.0148 4.0148 4.3418 4.3418 4.3430 4.3430 4.4956 4.4956 4.4962 4.4962 5.3871 5.3871 5.3914 5.3914 5.7624 5.7624 5.7640 5.7640 8.4811 8.4811 8.4820 8.4820 9.6410 9.6410 9.6418 9.6418 10.0459 10.0459 10.0498 10.0498 10.2470 10.2471 k = 0.2679 0.5000-0.0000 ( 6678 PWs) bands (ev): -33.1789 -33.1789 -33.1789 -33.1789 -33.1718 -33.1718 -33.1718 -33.1718 -14.9692 -14.9692 -14.9555 -14.9555 -14.6291 -14.6291 -14.6023 -14.6023 -14.4196 -14.4196 -14.3977 -14.3977 -14.2886 -14.2886 -14.2499 -14.2499 -14.2287 -14.2287 -14.2267 -14.2267 -14.1919 -14.1919 -14.1875 -14.1875 -11.2133 -11.2133 -11.2118 -11.2118 -2.1603 -2.1603 -2.1580 -2.1580 -1.6737 -1.6737 -1.6705 -1.6705 -1.2979 -1.2979 -1.2923 -1.2923 2.7132 2.7132 2.7154 2.7154 3.9983 3.9983 4.0011 4.0011 4.3475 4.3475 4.3487 4.3487 4.5054 4.5054 4.5059 4.5059 5.3994 5.3994 5.4036 5.4036 5.7672 5.7672 5.7688 5.7688 8.4306 8.4306 8.4314 8.4314 9.6465 9.6465 9.6477 9.6477 10.0562 10.0562 10.0608 10.0608 10.2590 10.2591 k = 0.2857 0.5000-0.0000 ( 6674 PWs) bands (ev): -33.1787 -33.1787 -33.1787 -33.1787 -33.1719 -33.1719 -33.1719 -33.1719 -14.9693 -14.9693 -14.9559 -14.9559 -14.6290 -14.6290 -14.6027 -14.6027 -14.4195 -14.4195 -14.3980 -14.3980 -14.2875 -14.2875 -14.2494 -14.2494 -14.2292 -14.2292 -14.2275 -14.2275 -14.1916 -14.1916 -14.1873 -14.1873 -11.2130 -11.2130 -11.2115 -11.2115 -2.1756 -2.1756 -2.1735 -2.1735 -1.6698 -1.6698 -1.6668 -1.6668 -1.2788 -1.2788 -1.2736 -1.2736 2.7050 2.7050 2.7072 2.7072 3.9854 3.9854 3.9881 3.9881 4.3529 4.3529 4.3541 4.3541 4.5147 4.5147 4.5150 4.5150 5.4122 5.4122 5.4162 5.4162 5.7718 5.7718 5.7734 5.7734 8.3816 8.3816 8.3824 8.3824 9.6500 9.6500 9.6513 9.6513 10.0663 10.0663 10.0716 10.0716 10.2751 10.2751 k = 0.3036 0.5000-0.0000 ( 6680 PWs) bands (ev): -33.1786 -33.1786 -33.1786 -33.1786 -33.1721 -33.1721 -33.1721 -33.1721 -14.9694 -14.9694 -14.9565 -14.9565 -14.6287 -14.6287 -14.6034 -14.6034 -14.4192 -14.4192 -14.3985 -14.3985 -14.2863 -14.2863 -14.2491 -14.2491 -14.2296 -14.2296 -14.2283 -14.2283 -14.1914 -14.1914 -14.1871 -14.1871 -11.2126 -11.2126 -11.2112 -11.2112 -2.1899 -2.1899 -2.1878 -2.1878 -1.6662 -1.6662 -1.6635 -1.6635 -1.2607 -1.2607 -1.2558 -1.2558 2.6970 2.6970 2.6991 2.6991 3.9733 3.9733 3.9759 3.9759 4.3579 4.3579 4.3590 4.3590 4.5234 4.5234 4.5236 4.5236 5.4252 5.4252 5.4290 5.4290 5.7760 5.7760 5.7775 5.7775 8.3347 8.3347 8.3354 8.3354 9.6512 9.6512 9.6526 9.6526 10.0779 10.0779 10.0837 10.0837 10.2939 10.2939 k = 0.3214 0.5000-0.0000 ( 6682 PWs) bands (ev): -33.1784 -33.1784 -33.1784 -33.1784 -33.1723 -33.1723 -33.1723 -33.1723 -14.9694 -14.9694 -14.9571 -14.9571 -14.6282 -14.6282 -14.6041 -14.6041 -14.4189 -14.4189 -14.3991 -14.3991 -14.2848 -14.2848 -14.2491 -14.2491 -14.2301 -14.2301 -14.2290 -14.2290 -14.1911 -14.1911 -14.1870 -14.1870 -11.2123 -11.2123 -11.2110 -11.2110 -2.2031 -2.2031 -2.2011 -2.2011 -1.6629 -1.6629 -1.6605 -1.6605 -1.2436 -1.2436 -1.2391 -1.2391 2.6894 2.6894 2.6914 2.6914 3.9621 3.9621 3.9646 3.9646 4.3625 4.3625 4.3636 4.3636 4.5315 4.5315 4.5316 4.5316 5.4383 5.4383 5.4418 5.4418 5.7798 5.7798 5.7813 5.7813 8.2902 8.2902 8.2909 8.2909 9.6502 9.6502 9.6517 9.6517 10.0921 10.0921 10.0981 10.0981 10.3140 10.3141 k = 0.3393 0.5000-0.0000 ( 6684 PWs) bands (ev): -33.1782 -33.1782 -33.1782 -33.1782 -33.1724 -33.1724 -33.1724 -33.1724 -14.9693 -14.9693 -14.9577 -14.9577 -14.6276 -14.6276 -14.6051 -14.6051 -14.4185 -14.4185 -14.3999 -14.3999 -14.2831 -14.2831 -14.2494 -14.2494 -14.2304 -14.2304 -14.2297 -14.2297 -14.1907 -14.1907 -14.1869 -14.1869 -11.2120 -11.2120 -11.2107 -11.2107 -2.2151 -2.2151 -2.2133 -2.2133 -1.6599 -1.6599 -1.6577 -1.6577 -1.2277 -1.2277 -1.2236 -1.2236 2.6822 2.6822 2.6840 2.6840 3.9519 3.9519 3.9543 3.9543 4.3667 4.3667 4.3677 4.3677 4.5390 4.5390 4.5391 4.5391 5.4513 5.4513 5.4545 5.4545 5.7832 5.7832 5.7846 5.7846 8.2486 8.2486 8.2492 8.2492 9.6475 9.6475 9.6489 9.6489 10.1094 10.1094 10.1155 10.1155 10.3345 10.3349 k = 0.3571 0.5000-0.0000 ( 6688 PWs) bands (ev): -33.1780 -33.1780 -33.1780 -33.1780 -33.1726 -33.1726 -33.1726 -33.1726 -14.9691 -14.9691 -14.9585 -14.9585 -14.6269 -14.6269 -14.6061 -14.6061 -14.4179 -14.4179 -14.4009 -14.4009 -14.2812 -14.2812 -14.2500 -14.2500 -14.2308 -14.2308 -14.2303 -14.2303 -14.1904 -14.1904 -14.1868 -14.1868 -11.2117 -11.2117 -11.2105 -11.2105 -2.2259 -2.2259 -2.2243 -2.2243 -1.6572 -1.6572 -1.6552 -1.6552 -1.2131 -1.2131 -1.2094 -1.2094 2.6754 2.6754 2.6772 2.6772 3.9426 3.9426 3.9449 3.9449 4.3704 4.3704 4.3713 4.3713 4.5459 4.5459 4.5460 4.5460 5.4639 5.4639 5.4668 5.4668 5.7861 5.7861 5.7874 5.7874 8.2101 8.2101 8.2107 8.2107 9.6433 9.6433 9.6446 9.6446 10.1295 10.1295 10.1355 10.1355 10.3548 10.3554 k = 0.3750 0.5000-0.0000 ( 6688 PWs) bands (ev): -33.1779 -33.1779 -33.1779 -33.1779 -33.1728 -33.1728 -33.1728 -33.1728 -14.9689 -14.9689 -14.9592 -14.9592 -14.6260 -14.6260 -14.6072 -14.6072 -14.4173 -14.4173 -14.4019 -14.4019 -14.2792 -14.2792 -14.2508 -14.2508 -14.2311 -14.2311 -14.2309 -14.2309 -14.1900 -14.1900 -14.1867 -14.1867 -11.2114 -11.2114 -11.2104 -11.2104 -2.2355 -2.2355 -2.2340 -2.2340 -1.6547 -1.6547 -1.6531 -1.6531 -1.1999 -1.1999 -1.1967 -1.1967 2.6693 2.6693 2.6709 2.6709 3.9344 3.9344 3.9364 3.9364 4.3736 4.3736 4.3744 4.3744 4.5521 4.5521 4.5522 4.5522 5.4759 5.4759 5.4785 5.4785 5.7886 5.7886 5.7898 5.7898 8.1753 8.1753 8.1757 8.1757 9.6383 9.6383 9.6395 9.6395 10.1520 10.1520 10.1579 10.1579 10.3745 10.3760 k = 0.3929 0.5000-0.0000 ( 6684 PWs) bands (ev): -33.1777 -33.1777 -33.1777 -33.1777 -33.1729 -33.1729 -33.1729 -33.1729 -14.9685 -14.9685 -14.9600 -14.9600 -14.6249 -14.6249 -14.6084 -14.6084 -14.4165 -14.4165 -14.4030 -14.4030 -14.2770 -14.2770 -14.2519 -14.2519 -14.2314 -14.2314 -14.2313 -14.2313 -14.1896 -14.1896 -14.1867 -14.1867 -11.2111 -11.2111 -11.2102 -11.2102 -2.2439 -2.2439 -2.2426 -2.2426 -1.6526 -1.6526 -1.6512 -1.6512 -1.1882 -1.1882 -1.1854 -1.1854 2.6638 2.6638 2.6652 2.6652 3.9273 3.9273 3.9290 3.9290 4.3764 4.3764 4.3770 4.3770 4.5576 4.5576 4.5578 4.5578 5.4870 5.4870 5.4893 5.4893 5.7905 5.7905 5.7916 5.7916 8.1443 8.1443 8.1447 8.1447 9.6329 9.6329 9.6339 9.6339 10.1762 10.1762 10.1819 10.1819 10.3933 10.3941 k = 0.4107 0.5000-0.0000 ( 6694 PWs) bands (ev): -33.1776 -33.1776 -33.1776 -33.1776 -33.1731 -33.1731 -33.1731 -33.1731 -14.9681 -14.9681 -14.9609 -14.9609 -14.6238 -14.6238 -14.6097 -14.6097 -14.4157 -14.4157 -14.4042 -14.4042 -14.2748 -14.2748 -14.2533 -14.2533 -14.2316 -14.2316 -14.2316 -14.2316 -14.1893 -14.1893 -14.1868 -14.1868 -11.2109 -11.2109 -11.2101 -11.2101 -2.2510 -2.2510 -2.2499 -2.2499 -1.6508 -1.6508 -1.6496 -1.6496 -1.1782 -1.1782 -1.1758 -1.1758 2.6591 2.6591 2.6603 2.6603 3.9212 3.9212 3.9227 3.9227 4.3786 4.3786 4.3792 4.3792 4.5624 4.5624 4.5626 4.5626 5.4970 5.4970 5.4989 5.4989 5.7921 5.7921 5.7930 5.7930 8.1175 8.1175 8.1178 8.1178 9.6276 9.6276 9.6285 9.6285 10.2012 10.2012 10.2064 10.2064 10.4106 10.4116 k = 0.4286 0.5000-0.0000 ( 6696 PWs) bands (ev): -33.1775 -33.1775 -33.1775 -33.1775 -33.1732 -33.1732 -33.1732 -33.1732 -14.9676 -14.9676 -14.9617 -14.9617 -14.6226 -14.6226 -14.6111 -14.6111 -14.4148 -14.4148 -14.4055 -14.4055 -14.2725 -14.2725 -14.2549 -14.2549 -14.2318 -14.2318 -14.2318 -14.2318 -14.1889 -14.1889 -14.1869 -14.1869 -11.2107 -11.2107 -11.2100 -11.2100 -2.2568 -2.2568 -2.2559 -2.2559 -1.6493 -1.6493 -1.6483 -1.6483 -1.1698 -1.1698 -1.1679 -1.1679 2.6552 2.6552 2.6561 2.6561 3.9162 3.9162 3.9175 3.9175 4.3805 4.3805 4.3809 4.3809 4.5664 4.5664 4.5665 4.5665 5.5057 5.5057 5.5072 5.5072 5.7933 5.7933 5.7941 5.7941 8.0951 8.0951 8.0954 8.0954 9.6228 9.6228 9.6235 9.6235 10.2256 10.2256 10.2303 10.2303 10.4269 10.4272 k = 0.4464 0.5000-0.0000 ( 6688 PWs) bands (ev): -33.1773 -33.1773 -33.1773 -33.1773 -33.1733 -33.1733 -33.1733 -33.1733 -14.9670 -14.9670 -14.9625 -14.9625 -14.6212 -14.6212 -14.6125 -14.6125 -14.4138 -14.4138 -14.4067 -14.4067 -14.2701 -14.2701 -14.2567 -14.2567 -14.2320 -14.2320 -14.2320 -14.2320 -14.1885 -14.1885 -14.1870 -14.1870 -11.2105 -11.2105 -11.2100 -11.2100 -2.2613 -2.2613 -2.2606 -2.2606 -1.6480 -1.6480 -1.6473 -1.6473 -1.1632 -1.1632 -1.1617 -1.1617 2.6521 2.6521 2.6528 2.6528 3.9124 3.9124 3.9133 3.9133 4.3819 4.3819 4.3822 4.3822 4.5696 4.5696 4.5697 4.5697 5.5128 5.5128 5.5139 5.5139 5.7942 5.7942 5.7948 5.7948 8.0775 8.0775 8.0777 8.0777 9.6188 9.6188 9.6193 9.6193 10.2480 10.2480 10.2519 10.2519 10.4414 10.4417 k = 0.4643 0.5000-0.0000 ( 6688 PWs) bands (ev): -33.1773 -33.1773 -33.1773 -33.1773 -33.1734 -33.1734 -33.1734 -33.1734 -14.9664 -14.9664 -14.9634 -14.9634 -14.6198 -14.6198 -14.6140 -14.6140 -14.4128 -14.4128 -14.4080 -14.4080 -14.2677 -14.2677 -14.2587 -14.2587 -14.2321 -14.2321 -14.2321 -14.2321 -14.1882 -14.1882 -14.1871 -14.1871 -11.2103 -11.2103 -11.2100 -11.2100 -2.2645 -2.2645 -2.2640 -2.2640 -1.6471 -1.6471 -1.6467 -1.6467 -1.1583 -1.1583 -1.1574 -1.1574 2.6499 2.6499 2.6504 2.6504 3.9097 3.9097 3.9103 3.9103 4.3829 4.3829 4.3831 4.3831 4.5719 4.5719 4.5720 4.5720 5.5180 5.5180 5.5188 5.5188 5.7948 5.7948 5.7952 5.7952 8.0648 8.0648 8.0650 8.0650 9.6158 9.6158 9.6161 9.6161 10.2664 10.2664 10.2692 10.2692 10.4537 10.4541 k = 0.4821 0.5000-0.0000 ( 6692 PWs) bands (ev): -33.1772 -33.1772 -33.1772 -33.1772 -33.1734 -33.1734 -33.1734 -33.1734 -14.9657 -14.9657 -14.9642 -14.9642 -14.6184 -14.6184 -14.6154 -14.6154 -14.4117 -14.4117 -14.4092 -14.4092 -14.2654 -14.2654 -14.2609 -14.2609 -14.2322 -14.2322 -14.2321 -14.2321 -14.1879 -14.1879 -14.1873 -14.1873 -11.2102 -11.2102 -11.2100 -11.2100 -2.2663 -2.2663 -2.2661 -2.2661 -1.6465 -1.6465 -1.6463 -1.6463 -1.1553 -1.1553 -1.1548 -1.1548 2.6486 2.6486 2.6488 2.6488 3.9081 3.9081 3.9084 3.9084 4.3835 4.3835 4.3836 4.3836 4.5733 4.5733 4.5733 4.5733 5.5213 5.5213 5.5217 5.5217 5.7951 5.7951 5.7954 5.7954 8.0571 8.0571 8.0572 8.0572 9.6139 9.6139 9.6141 9.6141 10.2789 10.2789 10.2804 10.2804 10.4627 10.4630 k = 0.5000 0.5000-0.0000 ( 6728 PWs) bands (ev): -33.1772 -33.1772 -33.1772 -33.1772 -33.1735 -33.1735 -33.1735 -33.1735 -14.9650 -14.9650 -14.9650 -14.9650 -14.6170 -14.6170 -14.6170 -14.6170 -14.4105 -14.4105 -14.4105 -14.4105 -14.2631 -14.2631 -14.2631 -14.2631 -14.2322 -14.2322 -14.2322 -14.2322 -14.1877 -14.1877 -14.1877 -14.1877 -11.2101 -11.2101 -11.2101 -11.2101 -2.2669 -2.2669 -2.2669 -2.2669 -1.6463 -1.6463 -1.6463 -1.6463 -1.1542 -1.1542 -1.1542 -1.1542 2.6482 2.6482 2.6482 2.6482 3.9077 3.9077 3.9077 3.9077 4.3838 4.3838 4.3838 4.3838 4.5737 4.5737 4.5737 4.5737 5.5226 5.5226 5.5226 5.5226 5.7953 5.7953 5.7953 5.7953 8.0546 8.0546 8.0546 8.0546 9.6134 9.6134 9.6134 9.6134 10.2838 10.2838 10.2838 10.2838 10.4662 10.4662 k = 0.5000 0.5000-0.0000 ( 6728 PWs) bands (ev): -33.1772 -33.1772 -33.1772 -33.1772 -33.1735 -33.1735 -33.1735 -33.1735 -14.9650 -14.9650 -14.9650 -14.9650 -14.6170 -14.6170 -14.6170 -14.6170 -14.4105 -14.4105 -14.4105 -14.4105 -14.2631 -14.2631 -14.2631 -14.2631 -14.2322 -14.2322 -14.2322 -14.2322 -14.1877 -14.1877 -14.1877 -14.1877 -11.2101 -11.2101 -11.2101 -11.2101 -2.2669 -2.2669 -2.2669 -2.2669 -1.6463 -1.6463 -1.6463 -1.6463 -1.1542 -1.1542 -1.1542 -1.1542 2.6482 2.6482 2.6482 2.6482 3.9077 3.9077 3.9077 3.9077 4.3838 4.3838 4.3838 4.3838 4.5737 4.5737 4.5737 4.5737 5.5226 5.5226 5.5226 5.5226 5.7953 5.7953 5.7953 5.7953 8.0546 8.0546 8.0546 8.0546 9.6134 9.6134 9.6134 9.6134 10.2838 10.2838 10.2838 10.2838 10.4662 10.4662 k = 0.4872 0.4872-0.0000 ( 6696 PWs) bands (ev): -33.1773 -33.1773 -33.1772 -33.1772 -33.1734 -33.1734 -33.1734 -33.1734 -14.9659 -14.9659 -14.9640 -14.9640 -14.6184 -14.6184 -14.6154 -14.6154 -14.4117 -14.4117 -14.4092 -14.4092 -14.2654 -14.2654 -14.2608 -14.2608 -14.2322 -14.2322 -14.2321 -14.2321 -14.1879 -14.1879 -14.1874 -14.1874 -11.2112 -11.2112 -11.2089 -11.2089 -2.2670 -2.2670 -2.2654 -2.2654 -1.6473 -1.6473 -1.6455 -1.6455 -1.1564 -1.1564 -1.1538 -1.1538 2.6465 2.6465 2.6510 2.6510 3.9072 3.9072 3.9094 3.9094 4.3832 4.3832 4.3840 4.3840 4.5728 4.5728 4.5738 4.5738 5.5212 5.5212 5.5217 5.5217 5.7943 5.7943 5.7962 5.7962 8.0570 8.0570 8.0575 8.0575 9.6139 9.6139 9.6142 9.6142 10.2739 10.2739 10.2853 10.2853 10.4620 10.4623 k = 0.4744 0.4744-0.0000 ( 6684 PWs) bands (ev): -33.1774 -33.1774 -33.1772 -33.1772 -33.1734 -33.1734 -33.1733 -33.1733 -14.9677 -14.9677 -14.9621 -14.9621 -14.6199 -14.6199 -14.6139 -14.6139 -14.4128 -14.4128 -14.4079 -14.4079 -14.2678 -14.2678 -14.2587 -14.2587 -14.2322 -14.2322 -14.2319 -14.2319 -14.1882 -14.1882 -14.1871 -14.1871 -11.2146 -11.2146 -11.2057 -11.2057 -2.2673 -2.2673 -2.2610 -2.2610 -1.6505 -1.6505 -1.6433 -1.6433 -1.1630 -1.1630 -1.1529 -1.1529 2.6413 2.6413 2.6591 2.6591 3.9056 3.9056 3.9145 3.9145 4.3813 4.3813 4.3847 4.3847 4.5698 4.5698 4.5740 4.5740 5.5176 5.5176 5.5188 5.5188 5.7912 5.7912 5.7989 5.7989 8.0643 8.0643 8.0662 8.0662 9.6157 9.6157 9.6165 9.6165 10.2475 10.2475 10.2897 10.2897 10.4495 10.4555 k = 0.4615 0.4615-0.0000 ( 6694 PWs) bands (ev): -33.1776 -33.1776 -33.1771 -33.1771 -33.1734 -33.1734 -33.1732 -33.1732 -14.9705 -14.9705 -14.9591 -14.9591 -14.6214 -14.6214 -14.6124 -14.6124 -14.4139 -14.4139 -14.4067 -14.4067 -14.2702 -14.2702 -14.2567 -14.2567 -14.2323 -14.2323 -14.2317 -14.2317 -14.1886 -14.1886 -14.1869 -14.1869 -11.2203 -11.2203 -11.2002 -11.2002 -2.2679 -2.2679 -2.2537 -2.2537 -1.6558 -1.6558 -1.6396 -1.6396 -1.1738 -1.1738 -1.1514 -1.1514 2.6327 2.6327 2.6724 2.6724 3.9031 3.9031 3.9227 3.9227 4.3783 4.3783 4.3858 4.3858 4.5648 4.5648 4.5742 4.5742 5.5117 5.5117 5.5137 5.5137 5.7865 5.7865 5.8033 5.8033 8.0763 8.0763 8.0806 8.0806 9.6186 9.6186 9.6203 9.6203 10.2108 10.2108 10.2970 10.2970 10.4298 10.4307 k = 0.4487 0.4487-0.0000 ( 6682 PWs) bands (ev): -33.1779 -33.1779 -33.1770 -33.1770 -33.1734 -33.1734 -33.1730 -33.1730 -14.9744 -14.9744 -14.9549 -14.9549 -14.6228 -14.6228 -14.6108 -14.6108 -14.4149 -14.4149 -14.4053 -14.4053 -14.2727 -14.2727 -14.2548 -14.2548 -14.2323 -14.2323 -14.2313 -14.2313 -14.1891 -14.1891 -14.1866 -14.1866 -11.2281 -11.2281 -11.1926 -11.1926 -2.2686 -2.2686 -2.2436 -2.2436 -1.6631 -1.6631 -1.6346 -1.6346 -1.1887 -1.1887 -1.1494 -1.1494 2.6207 2.6207 2.6909 2.6909 3.8996 3.8996 3.9339 3.9339 4.3741 4.3741 4.3873 4.3873 4.5579 4.5579 4.5745 4.5745 5.5037 5.5037 5.5060 5.5060 5.7806 5.7806 5.8093 5.8093 8.0929 8.0929 8.1007 8.1007 9.6226 9.6226 9.6257 9.6257 10.1687 10.1687 10.3071 10.3071 10.4047 10.4060 k = 0.4359 0.4359-0.0000 ( 6674 PWs) bands (ev): -33.1782 -33.1782 -33.1769 -33.1769 -33.1733 -33.1733 -33.1729 -33.1729 -14.9793 -14.9793 -14.9495 -14.9495 -14.6241 -14.6241 -14.6093 -14.6093 -14.4158 -14.4158 -14.4040 -14.4040 -14.2750 -14.2750 -14.2533 -14.2533 -14.2323 -14.2323 -14.2308 -14.2308 -14.1895 -14.1895 -14.1864 -14.1864 -11.2382 -11.2382 -11.1830 -11.1830 -2.2696 -2.2696 -2.2307 -2.2307 -1.6721 -1.6721 -1.6283 -1.6283 -1.2073 -1.2073 -1.1467 -1.1467 2.6056 2.6056 2.7143 2.7143 3.8952 3.8952 3.9477 3.9477 4.3687 4.3687 4.3892 4.3892 4.5492 4.5492 4.5748 4.5748 5.4935 5.4935 5.4956 5.4956 5.7744 5.7744 5.8169 5.8169 8.1140 8.1140 8.1265 8.1265 9.6278 9.6278 9.6328 9.6328 10.1245 10.1245 10.3198 10.3198 10.3743 10.3743 k = 0.4231 0.4231-0.0000 ( 6684 PWs) bands (ev): -33.1785 -33.1785 -33.1768 -33.1768 -33.1733 -33.1733 -33.1727 -33.1727 -14.9853 -14.9853 -14.9431 -14.9431 -14.6255 -14.6255 -14.6078 -14.6078 -14.4167 -14.4167 -14.4026 -14.4026 -14.2774 -14.2774 -14.2520 -14.2520 -14.2323 -14.2323 -14.2301 -14.2301 -14.1901 -14.1901 -14.1861 -14.1861 -11.2504 -11.2504 -11.1713 -11.1713 -2.2707 -2.2707 -2.2153 -2.2153 -1.6829 -1.6829 -1.6210 -1.6210 -1.2292 -1.2292 -1.1435 -1.1435 2.5873 2.5873 2.7423 2.7423 3.8899 3.8899 3.9636 3.9636 4.3622 4.3622 4.3914 4.3914 4.5388 4.5388 4.5752 4.5752 5.4794 5.4794 5.4841 5.4841 5.7685 5.7685 5.8260 5.8260 8.1393 8.1393 8.1578 8.1578 9.6341 9.6341 9.6415 9.6415 10.0801 10.0801 10.3348 10.3348 10.3412 10.3413 k = 0.4103 0.4103-0.0000 ( 6682 PWs) bands (ev): -33.1789 -33.1789 -33.1767 -33.1767 -33.1732 -33.1732 -33.1725 -33.1725 -14.9922 -14.9922 -14.9355 -14.9355 -14.6268 -14.6268 -14.6063 -14.6063 -14.4175 -14.4175 -14.4013 -14.4013 -14.2797 -14.2797 -14.2511 -14.2511 -14.2321 -14.2321 -14.2294 -14.2294 -14.1907 -14.1907 -14.1857 -14.1857 -11.2646 -11.2646 -11.1578 -11.1578 -2.2721 -2.2721 -2.1975 -2.1975 -1.6950 -1.6950 -1.6129 -1.6129 -1.2539 -1.2539 -1.1398 -1.1398 2.5662 2.5662 2.7746 2.7746 3.8840 3.8840 3.9812 3.9812 4.3546 4.3546 4.3940 4.3940 4.5268 4.5268 4.5755 4.5755 5.4602 5.4602 5.4726 5.4726 5.7638 5.7638 5.8365 5.8365 8.1687 8.1687 8.1945 8.1945 9.6414 9.6414 9.6518 9.6518 10.0367 10.0367 10.3064 10.3064 10.3521 10.3521 k = 0.3974 0.3974-0.0000 ( 6694 PWs) bands (ev): -33.1793 -33.1793 -33.1765 -33.1765 -33.1732 -33.1732 -33.1723 -33.1723 -15.0001 -15.0001 -14.9270 -14.9270 -14.6281 -14.6281 -14.6049 -14.6049 -14.4182 -14.4182 -14.3999 -14.3999 -14.2819 -14.2819 -14.2505 -14.2505 -14.2319 -14.2319 -14.2286 -14.2286 -14.1913 -14.1913 -14.1853 -14.1853 -11.2809 -11.2809 -11.1425 -11.1425 -2.2736 -2.2736 -2.1775 -2.1775 -1.7082 -1.7082 -1.6044 -1.6044 -1.2808 -1.2808 -1.1356 -1.1356 2.5423 2.5423 2.8108 2.8108 3.8774 3.8774 3.9997 3.9997 4.3459 4.3459 4.3969 4.3969 4.5132 4.5132 4.5758 4.5758 5.4363 5.4363 5.4612 5.4612 5.7610 5.7610 5.8483 5.8483 8.2018 8.2018 8.2365 8.2365 9.6498 9.6498 9.6639 9.6639 9.9951 9.9951 10.2707 10.2707 10.3714 10.3714 k = 0.3846 0.3846-0.0000 ( 6690 PWs) bands (ev): -33.1798 -33.1798 -33.1764 -33.1764 -33.1731 -33.1731 -33.1721 -33.1721 -15.0088 -15.0088 -14.9174 -14.9174 -14.6293 -14.6293 -14.6034 -14.6034 -14.4187 -14.4187 -14.3985 -14.3985 -14.2840 -14.2840 -14.2504 -14.2504 -14.2314 -14.2314 -14.2276 -14.2276 -14.1919 -14.1919 -14.1848 -14.1848 -11.2990 -11.2990 -11.1254 -11.1254 -2.2754 -2.2754 -2.1558 -2.1558 -1.7220 -1.7220 -1.5963 -1.5963 -1.3087 -1.3087 -1.1308 -1.1308 2.5159 2.5159 2.8506 2.8506 3.8703 3.8703 4.0186 4.0186 4.3361 4.3361 4.4001 4.4001 4.4983 4.4983 4.5761 4.5761 5.4074 5.4074 5.4505 5.4505 5.7605 5.7605 5.8612 5.8612 8.2384 8.2384 8.2836 8.2836 9.6591 9.6591 9.6777 9.6777 9.9558 9.9558 10.2352 10.2352 10.3720 10.3720 k = 0.3718 0.3718-0.0000 ( 6684 PWs) bands (ev): -33.1802 -33.1802 -33.1762 -33.1762 -33.1730 -33.1730 -33.1719 -33.1719 -15.0183 -15.0183 -14.9068 -14.9068 -14.6305 -14.6305 -14.6019 -14.6019 -14.4192 -14.4192 -14.3971 -14.3971 -14.2860 -14.2860 -14.2507 -14.2507 -14.2308 -14.2308 -14.2265 -14.2265 -14.1925 -14.1925 -14.1842 -14.1842 -11.3190 -11.3190 -11.1069 -11.1069 -2.2772 -2.2772 -2.1329 -2.1329 -1.7358 -1.7358 -1.5897 -1.5897 -1.3363 -1.3363 -1.1256 -1.1256 2.4870 2.4870 2.8934 2.8934 3.8627 3.8627 4.0372 4.0372 4.3254 4.3254 4.4034 4.4034 4.4821 4.4821 4.5763 4.5763 5.3738 5.3738 5.4413 5.4413 5.7623 5.7623 5.8751 5.8751 8.2782 8.2782 8.3357 8.3357 9.6694 9.6694 9.6931 9.6931 9.9191 9.9191 10.2003 10.2003 10.3643 10.3643 k = 0.3590 0.3590-0.0000 ( 6680 PWs) bands (ev): -33.1807 -33.1807 -33.1760 -33.1760 -33.1729 -33.1729 -33.1718 -33.1718 -15.0285 -15.0285 -14.8955 -14.8955 -14.6316 -14.6316 -14.6005 -14.6005 -14.4196 -14.4196 -14.3957 -14.3957 -14.2879 -14.2879 -14.2515 -14.2515 -14.2300 -14.2300 -14.2253 -14.2253 -14.1931 -14.1931 -14.1835 -14.1835 -11.3406 -11.3406 -11.0869 -11.0869 -2.2793 -2.2793 -2.1095 -2.1095 -1.7490 -1.7490 -1.5865 -1.5865 -1.3613 -1.3613 -1.1199 -1.1199 2.4559 2.4559 2.9390 2.9390 3.8547 3.8547 4.0547 4.0547 4.3138 4.3138 4.4070 4.4070 4.4648 4.4648 4.5764 4.5764 5.3358 5.3358 5.4343 5.4343 5.7667 5.7667 5.8898 5.8898 8.3207 8.3207 8.3926 8.3926 9.6806 9.6806 9.7102 9.7102 9.8855 9.8855 10.1668 10.1668 10.3587 10.3587 k = 0.3462 0.3462-0.0000 ( 6684 PWs) bands (ev): -33.1812 -33.1812 -33.1758 -33.1758 -33.1728 -33.1728 -33.1716 -33.1716 -15.0394 -15.0394 -14.8833 -14.8833 -14.6327 -14.6327 -14.5990 -14.5990 -14.4199 -14.4199 -14.3942 -14.3942 -14.2897 -14.2897 -14.2525 -14.2525 -14.2292 -14.2292 -14.2240 -14.2240 -14.1938 -14.1938 -14.1827 -14.1827 -11.3639 -11.3639 -11.0656 -11.0656 -2.2815 -2.2815 -2.0866 -2.0866 -1.7602 -1.7602 -1.5893 -1.5893 -1.3810 -1.3810 -1.1139 -1.1139 2.4226 2.4226 2.9868 2.9868 3.8466 3.8466 4.0702 4.0702 4.3013 4.3013 4.4106 4.4106 4.4466 4.4466 4.5763 4.5763 5.2940 5.2940 5.4304 5.4304 5.7734 5.7734 5.9053 5.9053 8.3656 8.3656 8.4540 8.4540 9.6926 9.6926 9.7287 9.7287 9.8550 9.8550 10.1350 10.1350 10.3551 10.3551 k = 0.3333 0.3333-0.0000 ( 6708 PWs) bands (ev): -33.1817 -33.1817 -33.1755 -33.1755 -33.1727 -33.1727 -33.1715 -33.1715 -15.0509 -15.0509 -14.8704 -14.8704 -14.6338 -14.6338 -14.5976 -14.5976 -14.4201 -14.4201 -14.3926 -14.3926 -14.2913 -14.2913 -14.2539 -14.2539 -14.2282 -14.2282 -14.2227 -14.2227 -14.1944 -14.1944 -14.1820 -14.1820 -11.3886 -11.3886 -11.0432 -11.0432 -2.2838 -2.2838 -2.0659 -2.0659 -1.7679 -1.7679 -1.6009 -1.6009 -1.3922 -1.3922 -1.1075 -1.1075 2.3874 2.3874 3.0365 3.0365 3.8382 3.8382 4.0831 4.0831 4.2880 4.2880 4.4143 4.4143 4.4275 4.4275 4.5762 4.5762 5.2488 5.2488 5.4303 5.4303 5.7823 5.7823 5.9214 5.9214 8.4124 8.4124 8.5197 8.5197 9.7053 9.7053 9.7486 9.7486 9.8279 9.8279 10.1053 10.1053 10.3538 10.3538 k = 0.3205 0.3205-0.0000 ( 6690 PWs) bands (ev): -33.1821 -33.1821 -33.1753 -33.1753 -33.1726 -33.1726 -33.1713 -33.1713 -15.0628 -15.0628 -14.8569 -14.8569 -14.6348 -14.6348 -14.5961 -14.5961 -14.4202 -14.4202 -14.3910 -14.3910 -14.2928 -14.2928 -14.2555 -14.2555 -14.2272 -14.2272 -14.2213 -14.2213 -14.1949 -14.1949 -14.1810 -14.1810 -11.4147 -11.4147 -11.0198 -11.0198 -2.2863 -2.2863 -2.0493 -2.0493 -1.7702 -1.7702 -1.6222 -1.6222 -1.3938 -1.3938 -1.1007 -1.1007 2.3505 2.3505 3.0875 3.0875 3.8298 3.8298 4.0927 4.0927 4.2742 4.2742 4.4074 4.4074 4.4184 4.4184 4.5760 4.5760 5.2008 5.2008 5.4347 5.4347 5.7933 5.7933 5.9379 5.9379 8.4609 8.4609 8.5896 8.5896 9.7188 9.7188 9.7697 9.7697 9.8044 9.8044 10.0779 10.0779 10.3549 10.3549 k = 0.3077 0.3077-0.0000 ( 6688 PWs) bands (ev): -33.1826 -33.1826 -33.1750 -33.1750 -33.1725 -33.1725 -33.1712 -33.1712 -15.0752 -15.0752 -14.8429 -14.8429 -14.6358 -14.6358 -14.5946 -14.5946 -14.4203 -14.4203 -14.3892 -14.3892 -14.2941 -14.2941 -14.2573 -14.2573 -14.2262 -14.2262 -14.2198 -14.2198 -14.1954 -14.1954 -14.1800 -14.1800 -11.4419 -11.4419 -10.9955 -10.9955 -2.2889 -2.2889 -2.0389 -2.0389 -1.7649 -1.7649 -1.6517 -1.6517 -1.3870 -1.3870 -1.0936 -1.0936 2.3119 2.3119 3.1394 3.1394 3.8214 3.8214 4.0984 4.0984 4.2598 4.2598 4.3872 4.3872 4.4221 4.4221 4.5756 4.5756 5.1506 5.1506 5.4440 5.4440 5.8062 5.8062 5.9548 5.9548 8.5103 8.5103 8.6632 8.6632 9.7329 9.7329 9.7840 9.7840 9.7923 9.7923 10.0530 10.0530 10.3586 10.3586 k = 0.2949 0.2949-0.0000 ( 6682 PWs) bands (ev): -33.1831 -33.1831 -33.1748 -33.1748 -33.1724 -33.1724 -33.1711 -33.1711 -15.0879 -15.0879 -14.8285 -14.8285 -14.6367 -14.6367 -14.5930 -14.5930 -14.4203 -14.4203 -14.3872 -14.3872 -14.2953 -14.2953 -14.2592 -14.2592 -14.2251 -14.2251 -14.2184 -14.2184 -14.1958 -14.1958 -14.1790 -14.1790 -11.4703 -11.4703 -10.9707 -10.9707 -2.2915 -2.2915 -2.0359 -2.0359 -1.7507 -1.7507 -1.6868 -1.6868 -1.3741 -1.3741 -1.0863 -1.0863 2.2718 2.2718 3.1918 3.1918 3.8131 3.8131 4.0997 4.0997 4.2453 4.2453 4.3664 4.3664 4.4258 4.4258 4.5751 4.5751 5.0989 5.0989 5.4587 5.4587 5.8208 5.8208 5.9719 5.9719 8.5604 8.5604 8.7402 8.7402 9.7475 9.7475 9.7681 9.7681 9.8150 9.8150 10.0308 10.0308 10.3649 10.3649 k = 0.2821 0.2821-0.0000 ( 6690 PWs) bands (ev): -33.1836 -33.1836 -33.1745 -33.1745 -33.1723 -33.1723 -33.1710 -33.1710 -15.1008 -15.1008 -14.8139 -14.8139 -14.6376 -14.6376 -14.5914 -14.5914 -14.4203 -14.4203 -14.3850 -14.3850 -14.2964 -14.2964 -14.2612 -14.2612 -14.2240 -14.2240 -14.2170 -14.2170 -14.1961 -14.1961 -14.1780 -14.1780 -11.4995 -11.4995 -10.9453 -10.9453 -2.2942 -2.2942 -2.0401 -2.0401 -1.7290 -1.7290 -1.7245 -1.7245 -1.3571 -1.3571 -1.0788 -1.0788 2.2304 2.2304 3.2442 3.2442 3.8049 3.8049 4.0964 4.0964 4.2308 4.2308 4.3454 4.3454 4.4294 4.4294 4.5745 4.5745 5.0460 5.0460 5.4788 5.4788 5.8371 5.8371 5.9891 5.9891 8.6105 8.6105 8.8203 8.8203 9.7556 9.7556 9.7627 9.7627 9.8384 9.8384 10.0114 10.0114 10.3740 10.3740 k = 0.2692 0.2692-0.0000 ( 6698 PWs) bands (ev): -33.1841 -33.1841 -33.1743 -33.1743 -33.1722 -33.1722 -33.1709 -33.1709 -15.1138 -15.1138 -14.7992 -14.7992 -14.6385 -14.6385 -14.5898 -14.5898 -14.4202 -14.4202 -14.3826 -14.3826 -14.2974 -14.2974 -14.2633 -14.2633 -14.2228 -14.2228 -14.2157 -14.2157 -14.1962 -14.1962 -14.1770 -14.1770 -11.5294 -11.5294 -10.9196 -10.9196 -2.2970 -2.2970 -2.0503 -2.0503 -1.7667 -1.7667 -1.6975 -1.6975 -1.3372 -1.3372 -1.0711 -1.0711 2.1878 2.1878 3.2961 3.2961 3.7969 3.7969 4.0883 4.0883 4.2165 4.2165 4.3241 4.3241 4.4329 4.4329 4.5739 4.5739 4.9928 4.9928 5.5042 5.5042 5.8547 5.8547 6.0062 6.0062 8.6601 8.6601 8.9031 8.9031 9.7474 9.7474 9.7779 9.7779 9.8622 9.8622 9.9949 9.9949 10.3862 10.3862 k = 0.2564 0.2564-0.0000 ( 6695 PWs) bands (ev): -33.1845 -33.1845 -33.1740 -33.1740 -33.1720 -33.1720 -33.1708 -33.1708 -15.1269 -15.1269 -14.7845 -14.7845 -14.6393 -14.6393 -14.5880 -14.5880 -14.4201 -14.4201 -14.3799 -14.3799 -14.2982 -14.2982 -14.2654 -14.2654 -14.2217 -14.2217 -14.2144 -14.2144 -14.1962 -14.1962 -14.1759 -14.1759 -11.5600 -11.5600 -10.8938 -10.8938 -2.2998 -2.2998 -2.0648 -2.0648 -1.8087 -1.8087 -1.6616 -1.6616 -1.3154 -1.3154 -1.0633 -1.0633 2.1442 2.1442 3.3471 3.3471 3.7891 3.7891 4.0757 4.0757 4.2028 4.2028 4.3029 4.3029 4.4361 4.4361 4.5731 4.5731 4.9397 4.9397 5.5346 5.5346 5.8737 5.8737 6.0233 6.0233 8.7087 8.7087 8.9880 8.9880 9.7430 9.7430 9.7936 9.7936 9.8858 9.8858 9.9813 9.9813 10.4015 10.4015 k = 0.2436 0.2436-0.0000 ( 6693 PWs) bands (ev): -33.1850 -33.1850 -33.1737 -33.1737 -33.1719 -33.1719 -33.1708 -33.1708 -15.1400 -15.1400 -14.7700 -14.7700 -14.6401 -14.6401 -14.5861 -14.5861 -14.4199 -14.4199 -14.3769 -14.3769 -14.2990 -14.2990 -14.2676 -14.2676 -14.2206 -14.2206 -14.2133 -14.2133 -14.1959 -14.1959 -14.1748 -14.1748 -11.5909 -11.5909 -10.8679 -10.8679 -2.3027 -2.3027 -2.0820 -2.0820 -1.8511 -1.8511 -1.6216 -1.6216 -1.2922 -1.2922 -1.0555 -1.0555 2.0997 2.0997 3.3966 3.3966 3.7816 3.7816 4.0591 4.0591 4.1895 4.1895 4.2817 4.2817 4.4391 4.4391 4.5723 4.5723 4.8873 4.8873 5.5695 5.5695 5.8939 5.8939 6.0402 6.0402 8.7556 8.7556 9.0746 9.0746 9.7428 9.7428 9.8094 9.8094 9.9089 9.9089 9.9705 9.9705 10.4204 10.4204 k = 0.2308 0.2308-0.0000 ( 6695 PWs) bands (ev): -33.1855 -33.1855 -33.1734 -33.1734 -33.1718 -33.1718 -33.1707 -33.1707 -15.1529 -15.1529 -14.7559 -14.7559 -14.6409 -14.6409 -14.5840 -14.5840 -14.4198 -14.4198 -14.3736 -14.3736 -14.2996 -14.2996 -14.2698 -14.2698 -14.2195 -14.2195 -14.2122 -14.2122 -14.1954 -14.1954 -14.1737 -14.1737 -11.6220 -11.6220 -10.8422 -10.8422 -2.3055 -2.3055 -2.1010 -2.1010 -1.8933 -1.8933 -1.5787 -1.5787 -1.2680 -1.2680 -1.0476 -1.0476 2.0546 2.0546 3.4442 3.4442 3.7745 3.7745 4.0391 4.0391 4.1766 4.1766 4.2607 4.2607 4.4418 4.4418 4.5715 4.5715 4.8364 4.8364 5.6084 5.6084 5.9151 5.9151 6.0567 6.0567 8.8005 8.8005 9.1621 9.1621 9.7465 9.7465 9.8253 9.8253 9.9313 9.9313 9.9626 9.9626 10.4431 10.4431 k = 0.2179 0.2179-0.0000 ( 6703 PWs) bands (ev): -33.1859 -33.1859 -33.1732 -33.1732 -33.1717 -33.1717 -33.1707 -33.1707 -15.1656 -15.1656 -14.7423 -14.7423 -14.6416 -14.6416 -14.5818 -14.5818 -14.4197 -14.4197 -14.3699 -14.3699 -14.3001 -14.3001 -14.2719 -14.2719 -14.2184 -14.2184 -14.2114 -14.2114 -14.1946 -14.1946 -14.1727 -14.1727 -11.6532 -11.6532 -10.8169 -10.8169 -2.3083 -2.3083 -2.1210 -2.1210 -1.9350 -1.9350 -1.5336 -1.5336 -1.2433 -1.2433 -1.0397 -1.0397 2.0090 2.0090 3.4893 3.4893 3.7676 3.7676 4.0165 4.0165 4.1641 4.1641 4.2401 4.2401 4.4439 4.4439 4.5706 4.5706 4.7875 4.7875 5.6505 5.6505 5.9371 5.9371 6.0728 6.0728 8.8427 8.8427 9.2499 9.2499 9.7542 9.7542 9.8411 9.8411 9.9525 9.9525 9.9575 9.9575 10.4699 10.4699 k = 0.2051 0.2051-0.0000 ( 6689 PWs) bands (ev): -33.1863 -33.1863 -33.1729 -33.1729 -33.1716 -33.1716 -33.1706 -33.1706 -15.1781 -15.1781 -14.7294 -14.7294 -14.6423 -14.6423 -14.5793 -14.5793 -14.4196 -14.4196 -14.3659 -14.3659 -14.3005 -14.3005 -14.2740 -14.2740 -14.2173 -14.2173 -14.2107 -14.2107 -14.1935 -14.1935 -14.1716 -14.1716 -11.6841 -11.6841 -10.7920 -10.7920 -2.3111 -2.3111 -2.1413 -2.1413 -1.9757 -1.9757 -1.4871 -1.4871 -1.2183 -1.2183 -1.0320 -1.0320 1.9631 1.9631 3.5315 3.5315 3.7612 3.7612 3.9920 3.9920 4.1519 4.1519 4.2199 4.2199 4.4454 4.4454 4.5697 4.5697 4.7415 4.7415 5.6952 5.6952 5.9599 5.9599 6.0885 6.0885 8.8818 8.8818 9.3372 9.3372 9.7657 9.7657 9.8570 9.8570 9.9550 9.9550 9.9723 9.9723 10.5012 10.5012 k = 0.1923 0.1923-0.0000 ( 6695 PWs) bands (ev): -33.1867 -33.1867 -33.1727 -33.1727 -33.1714 -33.1714 -33.1706 -33.1706 -15.1902 -15.1902 -14.7174 -14.7174 -14.6430 -14.6430 -14.5766 -14.5766 -14.4194 -14.4194 -14.3615 -14.3615 -14.3008 -14.3008 -14.2760 -14.2760 -14.2162 -14.2162 -14.2102 -14.2102 -14.1921 -14.1921 -14.1706 -14.1706 -11.7147 -11.7147 -10.7678 -10.7678 -2.3138 -2.3138 -2.1617 -2.1617 -2.0153 -2.0153 -1.4398 -1.4398 -1.1932 -1.1932 -1.0244 -1.0244 1.9173 1.9173 3.5703 3.5703 3.7551 3.7551 3.9663 3.9663 4.1400 4.1400 4.2003 4.2003 4.4461 4.4461 4.5688 4.5688 4.6992 4.6992 5.7416 5.7416 5.9831 5.9831 6.1036 6.1036 8.9176 8.9176 9.4228 9.4228 9.7807 9.7807 9.8726 9.8726 9.9550 9.9550 9.9904 9.9904 10.5375 10.5375 k = 0.1795 0.1795-0.0000 ( 6699 PWs) bands (ev): -33.1871 -33.1871 -33.1724 -33.1724 -33.1713 -33.1713 -33.1706 -33.1706 -15.2018 -15.2018 -14.7063 -14.7063 -14.6436 -14.6436 -14.5737 -14.5737 -14.4193 -14.4193 -14.3568 -14.3568 -14.3010 -14.3010 -14.2780 -14.2780 -14.2152 -14.2152 -14.2098 -14.2098 -14.1904 -14.1904 -14.1696 -14.1696 -11.7447 -11.7447 -10.7443 -10.7443 -2.3165 -2.3165 -2.1817 -2.1817 -2.0533 -2.0533 -1.3922 -1.3922 -1.1683 -1.1683 -1.0169 -1.0169 1.8716 1.8716 3.6051 3.6051 3.7494 3.7494 3.9400 3.9400 4.1285 4.1285 4.1814 4.1814 4.4457 4.4457 4.5679 4.5679 4.6614 4.6614 5.7891 5.7891 6.0066 6.0066 6.1180 6.1180 8.9498 8.9498 9.5060 9.5060 9.7986 9.7986 9.8881 9.8881 9.9572 9.9572 10.0065 10.0065 10.5790 10.5790 k = 0.1667 0.1667-0.0000 ( 6703 PWs) bands (ev): -33.1875 -33.1875 -33.1722 -33.1722 -33.1712 -33.1712 -33.1705 -33.1705 -15.2130 -15.2130 -14.6963 -14.6963 -14.6442 -14.6442 -14.5707 -14.5707 -14.4192 -14.4192 -14.3518 -14.3518 -14.3011 -14.3011 -14.2798 -14.2798 -14.2142 -14.2142 -14.2095 -14.2095 -14.1885 -14.1885 -14.1687 -14.1687 -11.7740 -11.7740 -10.7217 -10.7217 -2.3191 -2.3191 -2.2010 -2.2010 -2.0897 -2.0897 -1.3448 -1.3448 -1.1439 -1.1439 -1.0098 -1.0098 1.8266 1.8266 3.6356 3.6356 3.7441 3.7441 3.9136 3.9136 4.1173 4.1173 4.1632 4.1632 4.4437 4.4437 4.5670 4.5670 4.6289 4.6289 5.8369 5.8369 6.0301 6.0301 6.1318 6.1318 8.9784 8.9784 9.5855 9.5855 9.8191 9.8191 9.9034 9.9034 9.9614 9.9614 10.0206 10.0206 10.6259 10.6259 k = 0.1538 0.1538-0.0000 ( 6711 PWs) bands (ev): -33.1879 -33.1879 -33.1719 -33.1719 -33.1711 -33.1711 -33.1705 -33.1705 -15.2236 -15.2236 -14.6875 -14.6875 -14.6447 -14.6447 -14.5674 -14.5674 -14.4192 -14.4192 -14.3467 -14.3467 -14.3011 -14.3011 -14.2816 -14.2816 -14.2133 -14.2133 -14.2093 -14.2093 -14.1864 -14.1864 -14.1679 -14.1679 -11.8022 -11.8022 -10.7003 -10.7003 -2.3215 -2.3215 -2.2196 -2.2196 -2.1242 -2.1242 -1.2981 -1.2981 -1.1202 -1.1202 -1.0029 -1.0029 1.7823 1.7823 3.6614 3.6614 3.7392 3.7392 3.8876 3.8876 4.1065 4.1065 4.1460 4.1460 4.4399 4.4399 4.5662 4.5662 4.6026 4.6026 5.8844 5.8844 6.0535 6.0535 6.1448 6.1448 9.0033 9.0033 9.6603 9.6603 9.8412 9.8412 9.9184 9.9184 9.9673 9.9673 10.0325 10.0325 10.6777 10.6777 k = 0.1410 0.1410-0.0000 ( 6705 PWs) bands (ev): -33.1882 -33.1882 -33.1717 -33.1717 -33.1710 -33.1710 -33.1705 -33.1705 -15.2335 -15.2335 -14.6797 -14.6797 -14.6452 -14.6452 -14.5640 -14.5640 -14.4191 -14.4191 -14.3414 -14.3414 -14.3010 -14.3010 -14.2832 -14.2832 -14.2124 -14.2124 -14.2091 -14.2091 -14.1841 -14.1841 -14.1671 -14.1671 -11.8292 -11.8292 -10.6800 -10.6800 -2.3239 -2.3239 -2.2373 -2.2373 -2.1566 -2.1566 -1.2524 -1.2524 -1.0973 -1.0973 -0.9963 -0.9963 1.7393 1.7393 3.6824 3.6824 3.7347 3.7347 3.8624 3.8624 4.0963 4.0963 4.1297 4.1297 4.4342 4.4342 4.5655 4.5655 4.5828 4.5828 5.9309 5.9309 6.0764 6.0764 6.1569 6.1569 9.0249 9.0249 9.7295 9.7295 9.8644 9.8644 9.9331 9.9331 9.9746 9.9746 10.0425 10.0425 10.7324 10.7324 k = 0.1282 0.1282-0.0000 ( 6709 PWs) bands (ev): -33.1885 -33.1885 -33.1715 -33.1715 -33.1709 -33.1709 -33.1705 -33.1705 -15.2428 -15.2428 -14.6731 -14.6731 -14.6457 -14.6457 -14.5606 -14.5606 -14.4190 -14.4190 -14.3363 -14.3363 -14.3008 -14.3008 -14.2848 -14.2848 -14.2116 -14.2116 -14.2089 -14.2089 -14.1817 -14.1817 -14.1663 -14.1663 -11.8548 -11.8548 -10.6610 -10.6610 -2.3261 -2.3261 -2.2538 -2.2538 -2.1867 -2.1867 -1.2083 -1.2083 -1.0755 -1.0755 -0.9901 -0.9901 1.6978 1.6978 3.6984 3.6984 3.7307 3.7307 3.8384 3.8384 4.0867 4.0867 4.1145 4.1145 4.4271 4.4271 4.5647 4.5647 4.5693 4.5693 5.9758 5.9758 6.0986 6.0986 6.1682 6.1682 9.0432 9.0432 9.7924 9.7924 9.8878 9.8878 9.9473 9.9473 9.9832 9.9832 10.0504 10.0504 10.7781 10.7821 k = 0.1154 0.1154-0.0000 ( 6713 PWs) bands (ev): -33.1888 -33.1888 -33.1713 -33.1713 -33.1709 -33.1709 -33.1705 -33.1705 -15.2514 -15.2514 -14.6675 -14.6675 -14.6462 -14.6462 -14.5572 -14.5572 -14.4190 -14.4190 -14.3314 -14.3314 -14.3004 -14.3004 -14.2862 -14.2862 -14.2109 -14.2109 -14.2087 -14.2087 -14.1791 -14.1791 -14.1656 -14.1656 -11.8787 -11.8787 -10.6435 -10.6435 -2.3281 -2.3281 -2.2690 -2.2690 -2.2144 -2.2144 -1.1663 -1.1663 -1.0551 -1.0551 -0.9843 -0.9843 1.6583 1.6583 3.7098 3.7098 3.7270 3.7270 3.8159 3.8159 4.0779 4.0779 4.1005 4.1005 4.4193 4.4193 4.5608 4.5608 4.5641 4.5641 6.0184 6.0184 6.1198 6.1198 6.1786 6.1786 9.0587 9.0587 9.8486 9.8486 9.9106 9.9106 9.9607 9.9607 9.9927 9.9927 10.0566 10.0566 10.7737 10.7742 k = 0.1026 0.1026-0.0000 ( 6709 PWs) bands (ev): -33.1890 -33.1890 -33.1712 -33.1712 -33.1708 -33.1708 -33.1705 -33.1705 -15.2591 -15.2591 -14.6628 -14.6628 -14.6466 -14.6466 -14.5540 -14.5540 -14.4189 -14.4189 -14.3268 -14.3268 -14.2998 -14.2998 -14.2875 -14.2875 -14.2102 -14.2102 -14.2085 -14.2085 -14.1765 -14.1765 -14.1650 -14.1650 -11.9008 -11.9008 -10.6275 -10.6275 -2.3300 -2.3300 -2.2829 -2.2829 -2.2395 -2.2395 -1.1269 -1.1269 -1.0362 -1.0362 -0.9790 -0.9790 1.6213 1.6213 3.7169 3.7169 3.7237 3.7237 3.7951 3.7951 4.0697 4.0697 4.0877 4.0877 4.4120 4.4120 4.5564 4.5564 4.5635 4.5635 6.0583 6.0583 6.1397 6.1397 6.1880 6.1880 9.0715 9.0715 9.8978 9.8978 9.9322 9.9322 9.9730 9.9730 10.0033 10.0033 10.0612 10.0612 10.7759 10.7762 k = 0.0897 0.0897-0.0000 ( 6719 PWs) bands (ev): -33.1893 -33.1893 -33.1710 -33.1710 -33.1707 -33.1707 -33.1705 -33.1705 -15.2661 -15.2661 -14.6589 -14.6589 -14.6470 -14.6470 -14.5509 -14.5509 -14.4189 -14.4189 -14.3229 -14.3229 -14.2990 -14.2990 -14.2887 -14.2887 -14.2096 -14.2096 -14.2083 -14.2083 -14.1738 -14.1738 -14.1644 -14.1644 -11.9208 -11.9208 -10.6132 -10.6132 -2.3317 -2.3317 -2.2954 -2.2954 -2.2620 -2.2620 -1.0905 -1.0905 -1.0191 -1.0191 -0.9741 -0.9741 1.5870 1.5870 3.7205 3.7205 3.7209 3.7209 3.7762 3.7762 4.0624 4.0624 4.0762 4.0762 4.4057 4.4057 4.5547 4.5547 4.5630 4.5630 6.0948 6.0948 6.1581 6.1581 6.1965 6.1965 9.0820 9.0820 9.9400 9.9400 9.9519 9.9519 9.9838 9.9838 10.0146 10.0146 10.0645 10.0645 10.7768 10.7768 k = 0.0769 0.0769-0.0000 ( 6723 PWs) bands (ev): -33.1894 -33.1894 -33.1709 -33.1709 -33.1707 -33.1707 -33.1705 -33.1705 -15.2722 -15.2722 -14.6558 -14.6558 -14.6473 -14.6473 -14.5482 -14.5482 -14.4189 -14.4189 -14.3195 -14.3195 -14.2980 -14.2980 -14.2897 -14.2897 -14.2090 -14.2090 -14.2082 -14.2082 -14.1713 -14.1713 -14.1639 -14.1639 -11.9386 -11.9386 -10.6006 -10.6006 -2.3331 -2.3331 -2.3063 -2.3063 -2.2817 -2.2817 -1.0578 -1.0578 -1.0038 -1.0038 -0.9697 -0.9697 1.5561 1.5561 3.7184 3.7184 3.7214 3.7214 3.7595 3.7595 4.0559 4.0559 4.0661 4.0661 4.4007 4.4007 4.5547 4.5547 4.5626 4.5626 6.1274 6.1274 6.1747 6.1747 6.2039 6.2039 9.0904 9.0904 9.9689 9.9689 9.9761 9.9761 9.9930 9.9930 10.0263 10.0263 10.0668 10.0668 10.7770 10.7773 k = 0.0641 0.0641-0.0000 ( 6717 PWs) bands (ev): -33.1896 -33.1896 -33.1708 -33.1708 -33.1706 -33.1706 -33.1705 -33.1705 -15.2774 -15.2774 -14.6533 -14.6533 -14.6476 -14.6476 -14.5458 -14.5458 -14.4188 -14.4188 -14.3169 -14.3169 -14.2968 -14.2968 -14.2906 -14.2906 -14.2085 -14.2085 -14.2080 -14.2080 -14.1689 -14.1689 -14.1635 -14.1635 -11.9540 -11.9540 -10.5898 -10.5898 -2.3344 -2.3344 -2.3157 -2.3157 -2.2986 -2.2986 -1.0291 -1.0291 -0.9908 -0.9908 -0.9656 -0.9656 1.5290 1.5290 3.7163 3.7163 3.7204 3.7204 3.7451 3.7451 4.0504 4.0504 4.0575 4.0575 4.3971 4.3971 4.5558 4.5558 4.5622 4.5622 6.1558 6.1558 6.1892 6.1892 6.2103 6.2103 9.0971 9.0971 9.9838 9.9838 9.9998 9.9998 10.0061 10.0061 10.0378 10.0378 10.0683 10.0683 10.7757 10.7769 k = 0.0513 0.0513-0.0000 ( 6705 PWs) bands (ev): -33.1898 -33.1898 -33.1707 -33.1707 -33.1706 -33.1706 -33.1705 -33.1705 -15.2817 -15.2817 -14.6513 -14.6513 -14.6478 -14.6478 -14.5439 -14.5439 -14.4188 -14.4188 -14.3150 -14.3150 -14.2955 -14.2955 -14.2912 -14.2912 -14.2081 -14.2081 -14.2078 -14.2078 -14.1668 -14.1668 -14.1632 -14.1632 -11.9668 -11.9668 -10.5808 -10.5808 -2.3355 -2.3355 -2.3234 -2.3234 -2.3124 -2.3124 -1.0052 -1.0052 -0.9801 -0.9801 -0.9619 -0.9619 1.5061 1.5061 3.7146 3.7146 3.7183 3.7183 3.7332 3.7332 4.0458 4.0458 4.0504 4.0504 4.3945 4.3945 4.5573 4.5573 4.5619 4.5619 6.1793 6.1793 6.2014 6.2014 6.2158 6.2158 9.1023 9.1023 9.9959 9.9959 10.0062 10.0062 10.0292 10.0292 10.0484 10.0484 10.0692 10.0692 10.7758 10.7820 k = 0.0385 0.0385-0.0000 ( 6685 PWs) bands (ev): -33.1899 -33.1899 -33.1706 -33.1706 -33.1705 -33.1705 -33.1705 -33.1705 -15.2851 -15.2851 -14.6499 -14.6499 -14.6479 -14.6479 -14.5423 -14.5423 -14.4187 -14.4187 -14.3136 -14.3136 -14.2943 -14.2943 -14.2917 -14.2917 -14.2078 -14.2078 -14.2076 -14.2076 -14.1650 -14.1650 -14.1630 -14.1630 -11.9770 -11.9770 -10.5738 -10.5738 -2.3363 -2.3363 -2.3295 -2.3295 -2.3233 -2.3233 -0.9864 -0.9864 -0.9722 -0.9722 -0.9580 -0.9580 1.4879 1.4879 3.7132 3.7132 3.7159 3.7159 3.7239 3.7239 4.0422 4.0422 4.0448 4.0448 4.3929 4.3929 4.5588 4.5588 4.5616 4.5616 6.1975 6.1975 6.2114 6.2114 6.2203 6.2203 9.1061 9.1061 10.0052 10.0052 10.0110 10.0110 10.0470 10.0470 10.0574 10.0574 10.0698 10.0698 10.7758 10.7789 k = 0.0256 0.0256-0.0000 ( 6685 PWs) bands (ev): -33.1900 -33.1900 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -15.2875 -15.2875 -14.6489 -14.6489 -14.6480 -14.6480 -14.5413 -14.5413 -14.4187 -14.4187 -14.3128 -14.3128 -14.2933 -14.2933 -14.2921 -14.2921 -14.2075 -14.2075 -14.2074 -14.2074 -14.1637 -14.1637 -14.1628 -14.1628 -11.9843 -11.9843 -10.5688 -10.5688 -2.3369 -2.3369 -2.3338 -2.3338 -2.3311 -2.3311 -0.9734 -0.9734 -0.9671 -0.9671 -0.9540 -0.9540 1.4745 1.4745 3.7122 3.7122 3.7137 3.7137 3.7172 3.7172 4.0396 4.0396 4.0408 4.0408 4.3919 4.3919 4.5601 4.5601 4.5615 4.5615 6.2096 6.2096 6.2194 6.2194 6.2239 6.2239 9.1087 9.1087 10.0117 10.0117 10.0143 10.0143 10.0592 10.0592 10.0644 10.0644 10.0702 10.0702 10.7722 10.7737 k = 0.0128 0.0128-0.0000 ( 6675 PWs) bands (ev): -33.1900 -33.1900 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -15.2889 -15.2889 -14.6483 -14.6483 -14.6480 -14.6480 -14.5406 -14.5406 -14.4186 -14.4186 -14.3122 -14.3122 -14.2926 -14.2926 -14.2923 -14.2923 -14.2074 -14.2074 -14.2073 -14.2073 -14.1629 -14.1629 -14.1627 -14.1627 -11.9887 -11.9887 -10.5657 -10.5657 -2.3374 -2.3374 -2.3364 -2.3364 -2.3357 -2.3357 -0.9660 -0.9660 -0.9645 -0.9645 -0.9505 -0.9505 1.4664 1.4664 3.7114 3.7114 3.7120 3.7120 3.7135 3.7135 4.0381 4.0381 4.0384 4.0384 4.3914 4.3914 4.5610 4.5610 4.5614 4.5614 6.2156 6.2156 6.2252 6.2252 6.2264 6.2264 9.1102 9.1102 10.0157 10.0157 10.0163 10.0163 10.0655 10.0655 10.0694 10.0694 10.0709 10.0709 10.7710 10.7715 k = 0.0000 0.0000 0.0000 ( 6667 PWs) bands (ev): -33.1900 -33.1900 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -15.2894 -15.2894 -14.6480 -14.6480 -14.6480 -14.6480 -14.5404 -14.5404 -14.4186 -14.4186 -14.3121 -14.3121 -14.2924 -14.2924 -14.2924 -14.2924 -14.2073 -14.2073 -14.2073 -14.2073 -14.1627 -14.1627 -14.1627 -14.1627 -11.9902 -11.9902 -10.5647 -10.5647 -2.3379 -2.3379 -2.3371 -2.3371 -2.3371 -2.3371 -0.9637 -0.9637 -0.9637 -0.9637 -0.9491 -0.9491 1.4637 1.4637 3.7111 3.7111 3.7111 3.7111 3.7127 3.7127 4.0376 4.0376 4.0376 4.0376 4.3912 4.3912 4.5613 4.5613 4.5613 4.5613 6.2173 6.2173 6.2274 6.2274 6.2274 6.2274 9.1108 9.1108 10.0170 10.0170 10.0170 10.0170 10.0670 10.0670 10.0713 10.0713 10.0713 10.0713 10.7694 10.7698 k = 0.0000 0.0000 0.0000 ( 6667 PWs) bands (ev): -33.1900 -33.1900 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -15.2894 -15.2894 -14.6480 -14.6480 -14.6480 -14.6480 -14.5404 -14.5404 -14.4186 -14.4186 -14.3121 -14.3121 -14.2924 -14.2924 -14.2924 -14.2924 -14.2073 -14.2073 -14.2073 -14.2073 -14.1627 -14.1627 -14.1627 -14.1627 -11.9902 -11.9902 -10.5647 -10.5647 -2.3379 -2.3379 -2.3371 -2.3371 -2.3371 -2.3371 -0.9637 -0.9637 -0.9637 -0.9637 -0.9491 -0.9491 1.4637 1.4637 3.7111 3.7111 3.7111 3.7111 3.7127 3.7127 4.0376 4.0376 4.0376 4.0376 4.3912 4.3912 4.5613 4.5613 4.5613 4.5613 6.2173 6.2173 6.2274 6.2274 6.2274 6.2274 9.1108 9.1108 10.0170 10.0170 10.0170 10.0170 10.0670 10.0670 10.0713 10.0713 10.0713 10.0713 10.7694 10.7697 k = 0.0104 0.0104 0.0104 ( 6670 PWs) bands (ev): -33.1900 -33.1900 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -15.2889 -15.2889 -14.6482 -14.6482 -14.6480 -14.6480 -14.5406 -14.5406 -14.4186 -14.4186 -14.3122 -14.3122 -14.2926 -14.2926 -14.2923 -14.2923 -14.2074 -14.2074 -14.2073 -14.2073 -14.1629 -14.1629 -14.1627 -14.1627 -11.9887 -11.9887 -10.5657 -10.5657 -2.3374 -2.3374 -2.3367 -2.3367 -2.3355 -2.3355 -0.9661 -0.9661 -0.9644 -0.9644 -0.9505 -0.9505 1.4664 1.4664 3.7117 3.7117 3.7119 3.7119 3.7134 3.7134 4.0382 4.0382 4.0382 4.0382 4.3914 4.3914 4.5612 4.5612 4.5612 4.5612 6.2156 6.2156 6.2252 6.2252 6.2265 6.2265 9.1103 9.1103 10.0160 10.0160 10.0160 10.0160 10.0654 10.0654 10.0696 10.0696 10.0708 10.0708 10.7700 10.7713 k = 0.0208 0.0208 0.0208 ( 6682 PWs) bands (ev): -33.1900 -33.1900 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -33.1705 -15.2875 -15.2875 -14.6488 -14.6488 -14.6480 -14.6480 -14.5412 -14.5412 -14.4187 -14.4187 -14.3127 -14.3127 -14.2933 -14.2933 -14.2921 -14.2921 -14.2076 -14.2076 -14.2074 -14.2074 -14.1637 -14.1637 -14.1628 -14.1628 -11.9843 -11.9843 -10.5687 -10.5687 -2.3362 -2.3362 -2.3356 -2.3356 -2.3301 -2.3301 -0.9741 -0.9741 -0.9663 -0.9663 -0.9538 -0.9538 1.4744 1.4744 3.7134 3.7134 3.7140 3.7140 3.7156 3.7156 4.0402 4.0402 4.0402 4.0402 4.3920 4.3920 4.5608 4.5608 4.5608 4.5608 6.2092 6.2092 6.2200 6.2200 6.2239 6.2239 9.1087 9.1087 10.0130 10.0130 10.0131 10.0131 10.0579 10.0579 10.0669 10.0669 10.0693 10.0693 10.7715 10.7731 k = 0.0312 0.0312 0.0312 ( 6688 PWs) bands (ev): -33.1899 -33.1899 -33.1706 -33.1706 -33.1705 -33.1705 -33.1705 -33.1705 -15.2851 -15.2851 -14.6497 -14.6497 -14.6480 -14.6480 -14.5423 -14.5423 -14.4187 -14.4187 -14.3136 -14.3136 -14.2944 -14.2944 -14.2917 -14.2917 -14.2078 -14.2078 -14.2075 -14.2075 -14.1650 -14.1650 -14.1629 -14.1629 -11.9771 -11.9771 -10.5737 -10.5737 -2.3344 -2.3344 -2.3338 -2.3338 -2.3212 -2.3212 -0.9885 -0.9885 -0.9695 -0.9695 -0.9581 -0.9581 1.4876 1.4876 3.7163 3.7163 3.7171 3.7171 3.7193 3.7193 4.0434 4.0434 4.0435 4.0435 4.3932 4.3932 4.5601 4.5601 4.5601 4.5601 6.1958 6.1958 6.2143 6.2143 6.2196 6.2196 9.1062 9.1062 10.0079 10.0079 10.0081 10.0081 10.0441 10.0441 10.0640 10.0640 10.0665 10.0665 10.7733 10.7746 k = 0.0417 0.0417 0.0417 ( 6694 PWs) bands (ev): -33.1898 -33.1898 -33.1706 -33.1706 -33.1705 -33.1705 -33.1705 -33.1705 -15.2818 -15.2818 -14.6511 -14.6511 -14.6479 -14.6479 -14.5438 -14.5438 -14.4188 -14.4188 -14.3148 -14.3148 -14.2957 -14.2957 -14.2911 -14.2911 -14.2081 -14.2081 -14.2077 -14.2077 -14.1668 -14.1668 -14.1631 -14.1631 -11.9671 -11.9671 -10.5807 -10.5807 -2.3318 -2.3318 -2.3312 -2.3312 -2.3088 -2.3088 -1.0091 -1.0091 -0.9740 -0.9740 -0.9632 -0.9632 1.5056 1.5056 3.7203 3.7203 3.7212 3.7212 3.7239 3.7239 4.0480 4.0480 4.0481 4.0481 4.3957 4.3957 4.5592 4.5592 4.5592 4.5592 6.1761 6.1761 6.2077 6.2077 6.2136 6.2136 9.1024 9.1024 10.0005 10.0005 10.0009 10.0009 10.0254 10.0254 10.0599 10.0599 10.0624 10.0624 10.7754 10.7757 k = 0.0521 0.0521 0.0521 ( 6706 PWs) bands (ev): -33.1896 -33.1896 -33.1707 -33.1707 -33.1706 -33.1706 -33.1706 -33.1706 -15.2776 -15.2776 -14.6529 -14.6529 -14.6479 -14.6479 -14.5458 -14.5458 -14.4188 -14.4188 -14.3167 -14.3167 -14.2971 -14.2971 -14.2904 -14.2904 -14.2085 -14.2085 -14.2079 -14.2079 -14.1689 -14.1689 -14.1634 -14.1634 -11.9545 -11.9545 -10.5895 -10.5895 -2.3286 -2.3286 -2.3280 -2.3280 -2.2929 -2.2929 -1.0353 -1.0353 -0.9797 -0.9797 -0.9691 -0.9691 1.5281 1.5281 3.7255 3.7255 3.7263 3.7263 3.7286 3.7286 4.0537 4.0537 4.0539 4.0539 4.3999 4.3999 4.5580 4.5580 4.5581 4.5581 6.1511 6.1511 6.1997 6.1997 6.2058 6.2058 9.0974 9.0974 9.9906 9.9906 9.9913 9.9913 10.0023 10.0023 10.0541 10.0541 10.0566 10.0566 10.7778 10.7784 k = 0.0625 0.0625 0.0625 ( 6706 PWs) bands (ev): -33.1895 -33.1895 -33.1708 -33.1708 -33.1706 -33.1706 -33.1706 -33.1706 -15.2724 -15.2724 -14.6552 -14.6552 -14.6477 -14.6477 -14.5481 -14.5481 -14.4188 -14.4188 -14.3191 -14.3191 -14.2985 -14.2985 -14.2894 -14.2894 -14.2090 -14.2090 -14.2081 -14.2081 -14.1713 -14.1713 -14.1637 -14.1637 -11.9393 -11.9393 -10.6001 -10.6001 -2.3247 -2.3247 -2.3240 -2.3240 -2.2736 -2.2736 -1.0663 -1.0663 -0.9866 -0.9866 -0.9762 -0.9762 1.5546 1.5546 3.7318 3.7318 3.7321 3.7321 3.7328 3.7328 4.0607 4.0607 4.0609 4.0609 4.4066 4.4066 4.5566 4.5566 4.5568 4.5568 6.1215 6.1215 6.1902 6.1902 6.1964 6.1964 9.0909 9.0909 9.9743 9.9743 9.9789 9.9789 9.9794 9.9794 10.0463 10.0463 10.0489 10.0489 10.7806 10.7815 k = 0.0729 0.0729 0.0729 ( 6718 PWs) bands (ev): -33.1893 -33.1893 -33.1709 -33.1709 -33.1706 -33.1706 -33.1706 -33.1706 -15.2665 -15.2665 -14.6581 -14.6581 -14.6476 -14.6476 -14.5508 -14.5508 -14.4189 -14.4189 -14.3222 -14.3222 -14.2999 -14.2999 -14.2884 -14.2884 -14.2096 -14.2096 -14.2083 -14.2083 -14.1740 -14.1740 -14.1641 -14.1641 -11.9218 -11.9218 -10.6125 -10.6125 -2.3201 -2.3201 -2.3194 -2.3194 -2.2511 -2.2511 -1.1015 -1.1015 -0.9946 -0.9946 -0.9843 -0.9843 1.5848 1.5848 3.7338 3.7338 3.7393 3.7393 3.7401 3.7401 4.0689 4.0689 4.0691 4.0691 4.4167 4.4167 4.5551 4.5551 4.5553 4.5553 6.0881 6.0881 6.1790 6.1790 6.1852 6.1852 9.0828 9.0828 9.9452 9.9452 9.9631 9.9631 9.9634 9.9634 10.0362 10.0362 10.0388 10.0388 10.7820 10.7821 k = 0.0833 0.0833 0.0833 ( 6703 PWs) bands (ev): -33.1890 -33.1890 -33.1711 -33.1711 -33.1707 -33.1707 -33.1707 -33.1707 -15.2597 -15.2597 -14.6617 -14.6617 -14.6475 -14.6475 -14.5537 -14.5537 -14.4189 -14.4189 -14.3258 -14.3258 -14.3010 -14.3010 -14.2871 -14.2871 -14.2102 -14.2102 -14.2085 -14.2085 -14.1765 -14.1765 -14.1645 -14.1645 -11.9022 -11.9022 -10.6265 -10.6265 -2.3149 -2.3149 -2.3142 -2.3142 -2.2256 -2.2256 -1.1404 -1.1404 -1.0037 -1.0037 -0.9934 -0.9934 1.6182 1.6182 3.7321 3.7321 3.7478 3.7478 3.7486 3.7486 4.0781 4.0781 4.0784 4.0784 4.4310 4.4310 4.5535 4.5535 4.5537 4.5537 6.0516 6.0516 6.1662 6.1662 6.1723 6.1723 9.0729 9.0729 9.9131 9.9131 9.9439 9.9439 9.9442 9.9442 10.0234 10.0234 10.0261 10.0261 10.7834 10.7836 k = 0.0938 0.0937 0.0937 ( 6709 PWs) bands (ev): -33.1888 -33.1888 -33.1712 -33.1712 -33.1707 -33.1707 -33.1707 -33.1707 -15.2521 -15.2521 -14.6661 -14.6661 -14.6473 -14.6473 -14.5568 -14.5568 -14.4190 -14.4190 -14.3301 -14.3301 -14.3019 -14.3019 -14.2857 -14.2857 -14.2109 -14.2109 -14.2087 -14.2087 -14.1792 -14.1792 -14.1650 -14.1650 -11.8807 -11.8807 -10.6420 -10.6420 -2.3091 -2.3091 -2.3083 -2.3083 -2.1970 -2.1970 -1.1822 -1.1822 -1.0138 -1.0138 -1.0035 -1.0035 1.6542 1.6542 3.7263 3.7263 3.7576 3.7576 3.7582 3.7582 4.0882 4.0882 4.0888 4.0888 4.4501 4.4501 4.5518 4.5518 4.5522 4.5522 6.0127 6.0127 6.1517 6.1517 6.1578 6.1578 9.0611 9.0611 9.8790 9.8790 9.9204 9.9204 9.9206 9.9206 10.0079 10.0079 10.0108 10.0108 10.7842 10.7845 k = 0.1042 0.1042 0.1042 ( 6709 PWs) bands (ev): -33.1885 -33.1885 -33.1714 -33.1714 -33.1708 -33.1708 -33.1708 -33.1708 -15.2439 -15.2439 -14.6713 -14.6713 -14.6471 -14.6471 -14.5601 -14.5601 -14.4190 -14.4190 -14.3347 -14.3347 -14.3026 -14.3026 -14.2842 -14.2842 -14.2116 -14.2116 -14.2089 -14.2089 -14.1818 -14.1818 -14.1655 -14.1655 -11.8576 -11.8576 -10.6589 -10.6589 -2.3027 -2.3027 -2.3019 -2.3019 -2.1658 -2.1658 -1.2265 -1.2265 -1.0248 -1.0248 -1.0145 -1.0145 1.6926 1.6926 3.7155 3.7155 3.7684 3.7684 3.7690 3.7690 4.0993 4.0993 4.0999 4.0999 4.4743 4.4743 4.5502 4.5502 4.5507 4.5507 5.9721 5.9721 6.1356 6.1356 6.1415 6.1415 9.0473 9.0473 9.8434 9.8434 9.8918 9.8918 9.8919 9.8919 9.9899 9.9899 9.9930 9.9930 10.7842 10.7843 k = 0.1146 0.1146 0.1146 ( 6703 PWs) bands (ev): -33.1882 -33.1882 -33.1715 -33.1715 -33.1708 -33.1708 -33.1708 -33.1708 -15.2350 -15.2350 -14.6773 -14.6773 -14.6469 -14.6469 -14.5634 -14.5634 -14.4191 -14.4191 -14.3395 -14.3395 -14.3032 -14.3032 -14.2826 -14.2826 -14.2124 -14.2124 -14.2091 -14.2091 -14.1842 -14.1842 -14.1661 -14.1661 -11.8331 -11.8331 -10.6770 -10.6770 -2.2958 -2.2958 -2.2950 -2.2950 -2.1319 -2.1319 -1.2726 -1.2726 -1.0368 -1.0368 -1.0264 -1.0264 1.7330 1.7330 3.6993 3.6993 3.7803 3.7803 3.7808 3.7808 4.1110 4.1110 4.1119 4.1119 4.5037 4.5037 4.5489 4.5489 4.5496 4.5496 5.9308 5.9308 6.1178 6.1178 6.1236 6.1236 9.0312 9.0312 9.8068 9.8068 9.8573 9.8573 9.8574 9.8574 9.9699 9.9699 9.9732 9.9732 10.7832 10.7833 k = 0.1250 0.1250 0.1250 ( 6727 PWs) bands (ev): -33.1879 -33.1879 -33.1717 -33.1717 -33.1709 -33.1709 -33.1709 -33.1709 -15.2257 -15.2257 -14.6844 -14.6844 -14.6468 -14.6468 -14.5666 -14.5666 -14.4192 -14.4192 -14.3444 -14.3444 -14.3037 -14.3037 -14.2808 -14.2808 -14.2133 -14.2133 -14.2094 -14.2094 -14.1864 -14.1864 -14.1667 -14.1667 -11.8075 -11.8075 -10.6961 -10.6961 -2.2884 -2.2884 -2.2876 -2.2876 -2.0958 -2.0958 -1.3200 -1.3200 -1.0495 -1.0495 -1.0391 -1.0391 1.7750 1.7750 3.6776 3.6776 3.7933 3.7933 3.7937 3.7937 4.1233 4.1233 4.1244 4.1244 4.5376 4.5376 4.5479 4.5479 4.5490 4.5490 5.8894 5.8894 6.0983 6.0983 6.1041 6.1041 9.0128 9.0128 9.7694 9.7694 9.8165 9.8165 9.8168 9.8168 9.9484 9.9484 9.9519 9.9519 10.7814 10.7814 k = 0.1354 0.1354 0.1354 ( 6721 PWs) bands (ev): -33.1876 -33.1876 -33.1719 -33.1719 -33.1710 -33.1710 -33.1710 -33.1710 -15.2160 -15.2160 -14.6923 -14.6923 -14.6466 -14.6466 -14.5696 -14.5696 -14.4192 -14.4192 -14.3492 -14.3492 -14.3040 -14.3040 -14.2790 -14.2790 -14.2142 -14.2142 -14.2096 -14.2096 -14.1884 -14.1884 -14.1673 -14.1673 -11.7812 -11.7812 -10.7160 -10.7160 -2.2806 -2.2806 -2.2798 -2.2798 -2.0576 -2.0576 -1.3681 -1.3681 -1.0629 -1.0629 -1.0524 -1.0524 1.8184 1.8184 3.6507 3.6507 3.8073 3.8073 3.8076 3.8076 4.1358 4.1358 4.1372 4.1372 4.5476 4.5476 4.5485 4.5485 4.5762 4.5762 5.8486 5.8486 6.0774 6.0774 6.0830 6.0830 8.9920 8.9920 9.7316 9.7316 9.7695 9.7695 9.7699 9.7699 9.9257 9.9257 9.9295 9.9295 10.7788 10.7788 k = 0.1458 0.1458 0.1458 ( 6727 PWs) bands (ev): -33.1872 -33.1872 -33.1721 -33.1721 -33.1711 -33.1711 -33.1711 -33.1711 -15.2060 -15.2060 -14.7010 -14.7010 -14.6465 -14.6465 -14.5724 -14.5724 -14.4193 -14.4193 -14.3539 -14.3539 -14.3043 -14.3043 -14.2770 -14.2770 -14.2151 -14.2151 -14.2100 -14.2100 -14.1902 -14.1902 -14.1679 -14.1679 -11.7544 -11.7544 -10.7365 -10.7365 -2.2725 -2.2725 -2.2716 -2.2716 -2.0176 -2.0176 -1.4165 -1.4165 -1.0769 -1.0769 -1.0664 -1.0664 1.8628 1.8628 3.6190 3.6190 3.8224 3.8224 3.8225 3.8225 4.1484 4.1484 4.1500 4.1500 4.5482 4.5482 4.5494 4.5494 4.6174 4.6174 5.8094 5.8094 6.0548 6.0548 6.0603 6.0603 8.9688 8.9688 9.6936 9.6936 9.7167 9.7167 9.7172 9.7172 9.9022 9.9022 9.9061 9.9061 10.7755 10.7755 k = 0.1562 0.1562 0.1562 ( 6724 PWs) bands (ev): -33.1868 -33.1868 -33.1724 -33.1724 -33.1712 -33.1712 -33.1712 -33.1712 -15.1958 -15.1958 -14.7103 -14.7103 -14.6463 -14.6463 -14.5750 -14.5750 -14.4193 -14.4193 -14.3583 -14.3583 -14.3044 -14.3044 -14.2750 -14.2750 -14.2161 -14.2161 -14.2105 -14.2105 -14.1917 -14.1917 -14.1686 -14.1686 -11.7277 -11.7277 -10.7572 -10.7572 -2.2640 -2.2640 -2.2630 -2.2630 -1.9762 -1.9762 -1.4646 -1.4646 -1.0914 -1.0914 -1.0808 -1.0808 1.9082 1.9082 3.5830 3.5830 3.8384 3.8384 3.8385 3.8385 4.1606 4.1606 4.1626 4.1626 4.5500 4.5500 4.5516 4.5516 4.6605 4.6605 5.7724 5.7724 6.0308 6.0308 6.0361 6.0361 8.9432 8.9432 9.6555 9.6555 9.6590 9.6590 9.6595 9.6595 9.8780 9.8780 9.8820 9.8820 10.7716 10.7716 k = 0.1667 0.1667 0.1667 ( 6700 PWs) bands (ev): -33.1864 -33.1864 -33.1726 -33.1726 -33.1712 -33.1712 -33.1712 -33.1712 -15.1857 -15.1857 -14.7201 -14.7201 -14.6462 -14.6462 -14.5772 -14.5772 -14.4193 -14.4193 -14.3623 -14.3623 -14.3044 -14.3044 -14.2729 -14.2729 -14.2170 -14.2170 -14.2110 -14.2110 -14.1928 -14.1928 -14.1692 -14.1692 -11.7013 -11.7013 -10.7778 -10.7778 -2.2552 -2.2552 -2.2542 -2.2542 -1.9339 -1.9339 -1.5120 -1.5120 -1.1064 -1.1064 -1.0957 -1.0957 1.9543 1.9543 3.5435 3.5435 3.8554 3.8554 3.8554 3.8554 4.1721 4.1721 4.1744 4.1744 4.5534 4.5534 4.5554 4.5554 4.7042 4.7042 5.7385 5.7385 6.0054 6.0054 6.0106 6.0106 8.9152 8.9152 9.5972 9.5972 9.5976 9.5976 9.6177 9.6177 9.8530 9.8530 9.8571 9.8571 10.7673 10.7673 k = 0.1771 0.1771 0.1771 ( 6706 PWs) bands (ev): -33.1860 -33.1860 -33.1728 -33.1728 -33.1713 -33.1713 -33.1713 -33.1713 -15.1759 -15.1759 -14.7300 -14.7300 -14.6461 -14.6461 -14.5793 -14.5793 -14.4192 -14.4192 -14.3661 -14.3661 -14.3043 -14.3043 -14.2708 -14.2708 -14.2179 -14.2179 -14.2118 -14.2118 -14.1936 -14.1936 -14.1699 -14.1699 -11.6759 -11.6759 -10.7980 -10.7980 -2.2463 -2.2463 -2.2452 -2.2452 -1.8914 -1.8914 -1.5579 -1.5579 -1.1216 -1.1216 -1.1108 -1.1108 2.0009 2.0009 3.5012 3.5012 3.8732 3.8732 3.8734 3.8734 4.1824 4.1824 4.1852 4.1852 4.5590 4.5590 4.5612 4.5612 4.7470 4.7470 5.7085 5.7085 5.9786 5.9786 5.9836 5.9836 8.8850 8.8850 9.5322 9.5322 9.5327 9.5327 9.5801 9.5801 9.8272 9.8272 9.8315 9.8315 10.7628 10.7628 k = 0.1875 0.1875 0.1875 ( 6703 PWs) bands (ev): -33.1856 -33.1856 -33.1731 -33.1731 -33.1714 -33.1714 -33.1714 -33.1714 -15.1667 -15.1667 -14.7397 -14.7397 -14.6460 -14.6460 -14.5811 -14.5811 -14.4192 -14.4192 -14.3695 -14.3695 -14.3041 -14.3041 -14.2686 -14.2686 -14.2188 -14.2188 -14.2127 -14.2127 -14.1941 -14.1941 -14.1705 -14.1705 -11.6518 -11.6518 -10.8172 -10.8172 -2.2372 -2.2372 -2.2361 -2.2361 -1.8497 -1.8497 -1.6012 -1.6012 -1.1370 -1.1370 -1.1261 -1.1261 2.0479 2.0479 3.4569 3.4569 3.8918 3.8918 3.8921 3.8921 4.1912 4.1912 4.1944 4.1944 4.5670 4.5670 4.5696 4.5696 4.7874 4.7874 5.6831 5.6831 5.9506 5.9506 5.9554 5.9554 8.8526 8.8526 9.4649 9.4649 9.4653 9.4653 9.5430 9.5430 9.8008 9.8008 9.8051 9.8051 10.7583 10.7583 k = 0.1979 0.1979 0.1979 ( 6697 PWs) bands (ev): -33.1851 -33.1851 -33.1733 -33.1733 -33.1715 -33.1715 -33.1715 -33.1715 -15.1582 -15.1582 -14.7488 -14.7488 -14.6459 -14.6459 -14.5827 -14.5827 -14.4190 -14.4190 -14.3725 -14.3725 -14.3038 -14.3038 -14.2664 -14.2664 -14.2197 -14.2197 -14.2138 -14.2138 -14.1943 -14.1943 -14.1712 -14.1712 -11.6297 -11.6297 -10.8350 -10.8350 -2.2280 -2.2280 -2.2269 -2.2269 -1.8118 -1.8118 -1.6391 -1.6391 -1.1525 -1.1525 -1.1416 -1.1416 2.0952 2.0952 3.4114 3.4114 3.9113 3.9113 3.9117 3.9117 4.1982 4.1982 4.2018 4.2018 4.5779 4.5779 4.5808 4.5808 4.8238 4.8238 5.6632 5.6632 5.9214 5.9214 5.9260 5.9260 8.8182 8.8182 9.3960 9.3960 9.3964 9.3964 9.5065 9.5065 9.7736 9.7736 9.7780 9.7780 10.7542 10.7542 k = 0.2083 0.2083 0.2083 ( 6685 PWs) bands (ev): -33.1847 -33.1847 -33.1735 -33.1735 -33.1716 -33.1716 -33.1716 -33.1716 -15.1508 -15.1508 -14.7570 -14.7570 -14.6458 -14.6458 -14.5841 -14.5841 -14.4188 -14.4188 -14.3752 -14.3752 -14.3033 -14.3033 -14.2643 -14.2643 -14.2205 -14.2205 -14.2150 -14.2150 -14.1943 -14.1943 -14.1719 -14.1719 -11.6101 -11.6101 -10.8507 -10.8507 -2.2189 -2.2189 -2.2177 -2.2177 -1.7855 -1.7855 -1.6639 -1.6639 -1.1680 -1.1680 -1.1569 -1.1569 2.1425 2.1425 3.3656 3.3656 3.9314 3.9314 3.9319 3.9319 4.2030 4.2030 4.2070 4.2070 4.5920 4.5920 4.5952 4.5952 4.8550 4.8550 5.6494 5.6494 5.8911 5.8911 5.8956 5.8956 8.7821 8.7821 9.3262 9.3262 9.3265 9.3265 9.4706 9.4706 9.7456 9.7456 9.7501 9.7501 10.7506 10.7506 k = 0.2188 0.2187 0.2187 ( 6679 PWs) bands (ev): -33.1843 -33.1843 -33.1738 -33.1738 -33.1717 -33.1717 -33.1717 -33.1717 -15.1448 -15.1448 -14.7639 -14.7639 -14.6458 -14.6458 -14.5853 -14.5853 -14.4185 -14.4185 -14.3775 -14.3775 -14.3028 -14.3028 -14.2622 -14.2622 -14.2212 -14.2212 -14.2163 -14.2163 -14.1940 -14.1940 -14.1725 -14.1725 -11.5938 -11.5938 -10.8639 -10.8639 -2.2098 -2.2098 -2.2086 -2.2086 -1.7863 -1.7863 -1.6603 -1.6603 -1.1834 -1.1834 -1.1722 -1.1722 2.1897 2.1897 3.3203 3.3203 3.9522 3.9522 3.9528 3.9528 4.2056 4.2056 4.2100 4.2100 4.6094 4.6094 4.6128 4.6128 4.8797 4.8797 5.6418 5.6418 5.8599 5.8599 5.8642 5.8642 8.7444 8.7444 9.2559 9.2559 9.2561 9.2561 9.4355 9.4355 9.7169 9.7169 9.7215 9.7215 10.7478 10.7478 k = 0.2292 0.2292 0.2292 ( 6670 PWs) bands (ev): -33.1838 -33.1838 -33.1740 -33.1740 -33.1718 -33.1718 -33.1718 -33.1718 -15.1405 -15.1405 -14.7691 -14.7691 -14.6458 -14.6458 -14.5864 -14.5864 -14.4182 -14.4182 -14.3795 -14.3795 -14.3020 -14.3020 -14.2602 -14.2602 -14.2218 -14.2218 -14.2177 -14.2177 -14.1935 -14.1935 -14.1731 -14.1731 -11.5812 -11.5812 -10.8740 -10.8740 -2.2009 -2.2009 -2.1996 -2.1996 -1.8106 -1.8106 -1.6322 -1.6322 -1.1985 -1.1985 -1.1872 -1.1872 2.2365 2.2365 3.2763 3.2763 3.9735 3.9735 3.9741 3.9741 4.2060 4.2060 4.2108 4.2108 4.6301 4.6301 4.6338 4.6338 4.8973 4.8973 5.6405 5.6405 5.8278 5.8278 5.8320 5.8320 8.7056 8.7056 9.1855 9.1855 9.1857 9.1857 9.4012 9.4012 9.6873 9.6873 9.6920 9.6920 10.7460 10.7460 k = 0.2396 0.2396 0.2396 ( 6670 PWs) bands (ev): -33.1834 -33.1834 -33.1742 -33.1742 -33.1719 -33.1719 -33.1719 -33.1719 -15.1382 -15.1382 -14.7724 -14.7724 -14.6458 -14.6458 -14.5874 -14.5874 -14.4177 -14.4177 -14.3812 -14.3812 -14.3012 -14.3012 -14.2583 -14.2583 -14.2222 -14.2222 -14.2191 -14.2191 -14.1929 -14.1929 -14.1737 -14.1737 -11.5729 -11.5729 -10.8804 -10.8804 -2.1922 -2.1922 -2.1908 -2.1908 -1.8425 -1.8425 -1.5955 -1.5955 -1.2133 -1.2133 -1.2019 -1.2019 2.2828 2.2828 3.2348 3.2348 3.9952 3.9952 3.9957 3.9957 4.2045 4.2045 4.2096 4.2096 4.6541 4.6541 4.6579 4.6579 4.9078 4.9078 5.6445 5.6445 5.7951 5.7951 5.7990 5.7990 8.6657 8.6657 9.1155 9.1155 9.1156 9.1156 9.3677 9.3677 9.6569 9.6569 9.6617 9.6617 10.7455 10.7455 k = 0.2500 0.2500 0.2500 ( 6658 PWs) bands (ev): -33.1830 -33.1830 -33.1744 -33.1744 -33.1720 -33.1720 -33.1720 -33.1720 -15.1378 -15.1378 -14.7734 -14.7734 -14.6458 -14.6458 -14.5882 -14.5882 -14.4171 -14.4171 -14.3826 -14.3826 -14.3001 -14.3001 -14.2566 -14.2566 -14.2225 -14.2225 -14.2205 -14.2205 -14.1921 -14.1921 -14.1742 -14.1742 -11.5692 -11.5692 -10.8829 -10.8829 -2.1837 -2.1837 -2.1823 -2.1823 -1.8757 -1.8757 -1.5570 -1.5570 -1.2277 -1.2277 -1.2161 -1.2161 2.3280 2.3280 3.1966 3.1966 4.0169 4.0169 4.0174 4.0174 4.2013 4.2013 4.2069 4.2069 4.6812 4.6812 4.6849 4.6849 4.9115 4.9115 5.6528 5.6528 5.7617 5.7617 5.7655 5.7655 8.6253 8.6253 9.0460 9.0460 9.0461 9.0461 9.3353 9.3353 9.6257 9.6257 9.6304 9.6304 10.7465 10.7465 k = 0.2604 0.2604 0.2604 ( 6686 PWs) bands (ev): -33.1826 -33.1826 -33.1747 -33.1747 -33.1721 -33.1721 -33.1721 -33.1721 -15.1397 -15.1397 -14.7723 -14.7723 -14.6460 -14.6460 -14.5890 -14.5890 -14.4164 -14.4164 -14.3837 -14.3837 -14.2989 -14.2989 -14.2551 -14.2551 -14.2227 -14.2227 -14.2219 -14.2219 -14.1913 -14.1913 -14.1748 -14.1748 -11.5704 -11.5704 -10.8813 -10.8813 -2.1756 -2.1756 -2.1742 -2.1742 -1.9080 -1.9080 -1.5190 -1.5190 -1.2415 -1.2415 -1.2299 -1.2299 2.3717 2.3717 3.1629 3.1629 4.0384 4.0384 4.0387 4.0387 4.1971 4.1971 4.2031 4.2031 4.7109 4.7109 4.7147 4.7147 4.9092 4.9092 5.6637 5.6637 5.7280 5.7280 5.7316 5.7316 8.5845 8.5845 8.9773 8.9773 8.9773 8.9773 9.3038 9.3038 9.5934 9.5934 9.5982 9.5982 10.7493 10.7493 k = 0.2708 0.2708 0.2708 ( 6695 PWs) bands (ev): -33.1822 -33.1822 -33.1748 -33.1748 -33.1722 -33.1722 -33.1722 -33.1722 -15.1436 -15.1436 -14.7691 -14.7691 -14.6461 -14.6461 -14.5897 -14.5897 -14.4156 -14.4156 -14.3846 -14.3846 -14.2976 -14.2976 -14.2538 -14.2538 -14.2232 -14.2232 -14.2226 -14.2226 -14.1904 -14.1904 -14.1753 -14.1753 -11.5762 -11.5762 -10.8756 -10.8756 -2.1679 -2.1679 -2.1665 -2.1665 -1.9385 -1.9385 -1.4827 -1.4827 -1.2547 -1.2547 -1.2430 -1.2430 2.4134 2.4134 3.1348 3.1348 4.0589 4.0589 4.0590 4.0590 4.1926 4.1926 4.1992 4.1992 4.7432 4.7432 4.7469 4.7469 4.9019 4.9019 5.6753 5.6753 5.6940 5.6940 5.6973 5.6973 8.5436 8.5436 8.9095 8.9095 8.9096 8.9096 9.2733 9.2733 9.5603 9.5603 9.5650 9.5650 10.7543 10.7543 k = 0.2812 0.2812 0.2812 ( 6701 PWs) bands (ev): -33.1818 -33.1818 -33.1750 -33.1750 -33.1723 -33.1723 -33.1723 -33.1723 -15.1493 -15.1493 -14.7640 -14.7640 -14.6463 -14.6463 -14.5902 -14.5902 -14.4145 -14.4145 -14.3852 -14.3852 -14.2960 -14.2960 -14.2527 -14.2527 -14.2245 -14.2245 -14.2223 -14.2223 -14.1894 -14.1894 -14.1758 -14.1758 -11.5865 -11.5865 -10.8663 -10.8663 -2.1607 -2.1607 -2.1593 -2.1593 -1.9671 -1.9671 -1.4487 -1.4487 -1.2672 -1.2672 -1.2554 -1.2554 2.4523 2.4523 3.1136 3.1136 4.0769 4.0769 4.0775 4.0775 4.1893 4.1893 4.1966 4.1966 4.7776 4.7776 4.7812 4.7812 4.8908 4.8908 5.6596 5.6596 5.6629 5.6629 5.6864 5.6864 8.5030 8.5030 8.8429 8.8429 8.8431 8.8431 9.2440 9.2440 9.5261 9.5261 9.5308 9.5308 10.7617 10.7617 k = 0.2917 0.2917 0.2917 ( 6689 PWs) bands (ev): -33.1815 -33.1815 -33.1751 -33.1751 -33.1723 -33.1723 -33.1723 -33.1723 -15.1566 -15.1566 -14.7572 -14.7572 -14.6464 -14.6464 -14.5906 -14.5906 -14.4133 -14.4133 -14.3855 -14.3855 -14.2942 -14.2942 -14.2518 -14.2518 -14.2257 -14.2257 -14.2218 -14.2218 -14.1884 -14.1884 -14.1761 -14.1761 -11.6007 -11.6007 -10.8537 -10.8537 -2.1540 -2.1540 -2.1525 -2.1525 -1.9933 -1.9933 -1.4175 -1.4175 -1.2790 -1.2790 -1.2671 -1.2671 2.4877 2.4877 3.1004 3.1004 4.0908 4.0908 4.0920 4.0920 4.1893 4.1893 4.1974 4.1974 4.8138 4.8138 4.8173 4.8173 4.8767 4.8767 5.6255 5.6255 5.6286 5.6286 5.6948 5.6948 8.4629 8.4629 8.7776 8.7776 8.7778 8.7778 9.2158 9.2158 9.4911 9.4911 9.4956 9.4956 10.7717 10.7717 k = 0.3021 0.3021 0.3021 ( 6683 PWs) bands (ev): -33.1812 -33.1812 -33.1752 -33.1752 -33.1724 -33.1724 -33.1724 -33.1724 -15.1652 -15.1652 -14.7492 -14.7492 -14.6466 -14.6466 -14.5909 -14.5909 -14.4119 -14.4119 -14.3856 -14.3856 -14.2922 -14.2922 -14.2513 -14.2513 -14.2268 -14.2268 -14.2211 -14.2211 -14.1873 -14.1873 -14.1764 -14.1764 -11.6182 -11.6182 -10.8385 -10.8385 -2.1478 -2.1478 -2.1464 -2.1464 -2.0172 -2.0172 -1.3895 -1.3895 -1.2899 -1.2899 -1.2779 -1.2779 2.5188 2.5188 3.0964 3.0964 4.0985 4.0985 4.1000 4.1000 4.1951 4.1951 4.2037 4.2037 4.8516 4.8516 4.8548 4.8548 4.8605 4.8605 5.5914 5.5914 5.5944 5.5944 5.6995 5.6995 8.4236 8.4236 8.7137 8.7137 8.7140 8.7140 9.1888 9.1888 9.4551 9.4551 9.4595 9.4595 10.7848 10.7848 k = 0.3125 0.3125 0.3125 ( 6689 PWs) bands (ev): -33.1809 -33.1809 -33.1753 -33.1753 -33.1725 -33.1725 -33.1725 -33.1725 -15.1747 -15.1747 -14.7403 -14.7403 -14.6469 -14.6469 -14.5911 -14.5911 -14.4104 -14.4104 -14.3854 -14.3854 -14.2900 -14.2900 -14.2509 -14.2509 -14.2279 -14.2279 -14.2202 -14.2202 -14.1862 -14.1862 -14.1767 -14.1767 -11.6384 -11.6384 -10.8211 -10.8211 -2.1422 -2.1422 -2.1408 -2.1408 -2.0386 -2.0386 -1.3650 -1.3650 -1.3000 -1.3000 -1.2879 -1.2879 2.5452 2.5452 3.1022 3.1022 4.0993 4.0993 4.1007 4.1007 4.2078 4.2078 4.2163 4.2163 4.8425 4.8425 4.8906 4.8906 4.8938 4.8938 5.5577 5.5577 5.5604 5.5604 5.6996 5.6996 8.3851 8.3851 8.6514 8.6514 8.6517 8.6517 9.1629 9.1629 9.4182 9.4182 9.4225 9.4225 10.8012 10.8012 k = 0.3229 0.3229 0.3229 ( 6695 PWs) bands (ev): -33.1808 -33.1808 -33.1753 -33.1753 -33.1726 -33.1726 -33.1726 -33.1726 -15.1850 -15.1850 -14.7310 -14.7310 -14.6471 -14.6471 -14.5912 -14.5912 -14.4088 -14.4088 -14.3848 -14.3848 -14.2876 -14.2876 -14.2506 -14.2506 -14.2288 -14.2288 -14.2192 -14.2192 -14.1852 -14.1852 -14.1769 -14.1769 -11.6607 -11.6607 -10.8022 -10.8022 -2.1372 -2.1372 -2.1358 -2.1358 -2.0575 -2.0575 -1.3443 -1.3443 -1.3092 -1.3092 -1.2968 -1.2968 2.5669 2.5669 3.1181 3.1181 4.0948 4.0948 4.0957 4.0957 4.2257 4.2257 4.2339 4.2339 4.8236 4.8236 4.9305 4.9305 4.9335 4.9335 5.5245 5.5245 5.5270 5.5270 5.6943 5.6943 8.3477 8.3477 8.5907 8.5907 8.5910 8.5910 9.1384 9.1384 9.3807 9.3807 9.3848 9.3848 10.8212 10.8212 k = 0.3333 0.3333 0.3333 ( 6677 PWs) bands (ev): -33.1806 -33.1806 -33.1753 -33.1753 -33.1727 -33.1727 -33.1727 -33.1727 -15.1957 -15.1957 -14.7214 -14.7214 -14.6473 -14.6473 -14.5911 -14.5911 -14.4072 -14.4072 -14.3839 -14.3839 -14.2849 -14.2849 -14.2506 -14.2506 -14.2296 -14.2296 -14.2181 -14.2181 -14.1841 -14.1841 -14.1770 -14.1770 -11.6846 -11.6846 -10.7823 -10.7823 -2.1329 -2.1329 -2.1315 -2.1315 -2.0739 -2.0739 -1.3278 -1.3278 -1.3175 -1.3175 -1.3045 -1.3045 2.5844 2.5844 3.1437 3.1437 4.0870 4.0870 4.0875 4.0875 4.2466 4.2466 4.2546 4.2546 4.8040 4.8040 4.9709 4.9709 4.9737 4.9737 5.4918 5.4918 5.4942 5.4942 5.6831 5.6831 8.3116 8.3116 8.5318 8.5318 8.5321 8.5321 9.1151 9.1151 9.3427 9.3427 9.3465 9.3465 10.8450 10.8450 k = 0.3438 0.3437 0.3437 ( 6698 PWs) bands (ev): -33.1805 -33.1805 -33.1752 -33.1752 -33.1728 -33.1728 -33.1728 -33.1728 -15.2066 -15.2066 -14.7119 -14.7119 -14.6476 -14.6476 -14.5908 -14.5908 -14.4056 -14.4056 -14.3827 -14.3827 -14.2820 -14.2820 -14.2507 -14.2507 -14.2302 -14.2302 -14.2170 -14.2170 -14.1830 -14.1830 -14.1770 -14.1770 -11.7094 -11.7094 -10.7619 -10.7619 -2.1291 -2.1291 -2.1277 -2.1277 -2.0879 -2.0879 -1.3250 -1.3250 -1.3182 -1.3182 -1.3082 -1.3082 2.5986 2.5986 3.1778 3.1778 4.0772 4.0772 4.0774 4.0774 4.2691 4.2691 4.2769 4.2769 4.7840 4.7840 5.0116 5.0116 5.0142 5.0142 5.4601 5.4601 5.4622 5.4622 5.6659 5.6659 8.2767 8.2767 8.4747 8.4747 8.4751 8.4751 9.0930 9.0930 9.3044 9.3044 9.3079 9.3079 10.8729 10.8729 k = 0.3542 0.3542 0.3542 ( 6698 PWs) bands (ev): -33.1804 -33.1804 -33.1751 -33.1751 -33.1729 -33.1729 -33.1729 -33.1729 -15.2175 -15.2175 -14.7029 -14.7029 -14.6479 -14.6479 -14.5904 -14.5904 -14.4040 -14.4040 -14.3811 -14.3811 -14.2789 -14.2789 -14.2508 -14.2508 -14.2306 -14.2306 -14.2159 -14.2159 -14.1820 -14.1820 -14.1770 -14.1770 -11.7348 -11.7348 -10.7413 -10.7413 -2.1259 -2.1259 -2.1246 -2.1246 -2.0995 -2.0995 -1.3315 -1.3315 -1.3211 -1.3211 -1.3022 -1.3022 2.6106 2.6106 3.2194 3.2194 4.0664 4.0664 4.0664 4.0664 4.2923 4.2923 4.3001 4.3001 4.7638 4.7638 5.0521 5.0521 5.0545 5.0545 5.4294 5.4294 5.4313 5.4313 5.6426 5.6426 8.2432 8.2432 8.4197 8.4197 8.4201 8.4201 9.0723 9.0723 9.2660 9.2660 9.2693 9.2693 10.9050 10.9050 k = 0.3646 0.3646 0.3646 ( 6710 PWs) bands (ev): -33.1804 -33.1804 -33.1750 -33.1750 -33.1729 -33.1729 -33.1729 -33.1729 -15.2282 -15.2282 -14.6944 -14.6944 -14.6482 -14.6482 -14.5899 -14.5899 -14.4027 -14.4027 -14.3791 -14.3791 -14.2756 -14.2756 -14.2510 -14.2510 -14.2308 -14.2308 -14.2149 -14.2149 -14.1810 -14.1810 -14.1769 -14.1769 -11.7603 -11.7603 -10.7210 -10.7210 -2.1232 -2.1232 -2.1220 -2.1220 -2.1088 -2.1088 -1.3372 -1.3372 -1.3263 -1.3263 -1.2966 -1.2966 2.6214 2.6214 3.2670 3.2670 4.0550 4.0550 4.0552 4.0552 4.3157 4.3157 4.3236 4.3236 4.7437 4.7437 5.0918 5.0918 5.0940 5.0940 5.4001 5.4001 5.4018 5.4018 5.6135 5.6135 8.2112 8.2112 8.3669 8.3669 8.3673 8.3673 9.0529 9.0529 9.2280 9.2280 9.2311 9.2311 10.9413 10.9413 k = 0.3750 0.3750 0.3750 ( 6686 PWs) bands (ev): -33.1804 -33.1804 -33.1749 -33.1749 -33.1730 -33.1730 -33.1730 -33.1730 -15.2385 -15.2385 -14.6866 -14.6866 -14.6485 -14.6485 -14.5891 -14.5891 -14.4014 -14.4014 -14.3768 -14.3768 -14.2722 -14.2722 -14.2512 -14.2512 -14.2305 -14.2305 -14.2138 -14.2138 -14.1800 -14.1800 -14.1767 -14.1767 -11.7854 -11.7854 -10.7012 -10.7012 -2.1211 -2.1211 -2.1199 -2.1199 -2.1160 -2.1160 -1.3421 -1.3421 -1.3311 -1.3311 -1.2940 -1.2940 2.6316 2.6316 3.3196 3.3196 4.0436 4.0436 4.0438 4.0438 4.3391 4.3391 4.3470 4.3470 4.7236 4.7236 5.1301 5.1301 5.1320 5.1320 5.3727 5.3727 5.3742 5.3742 5.5790 5.5790 8.1807 8.1807 8.3165 8.3165 8.3169 8.3169 9.0350 9.0350 9.1908 9.1908 9.1935 9.1935 10.9818 10.9818 k = 0.3854 0.3854 0.3854 ( 6704 PWs) bands (ev): -33.1804 -33.1804 -33.1747 -33.1747 -33.1731 -33.1731 -33.1731 -33.1731 -15.2484 -15.2484 -14.6797 -14.6797 -14.6488 -14.6488 -14.5883 -14.5883 -14.4004 -14.4004 -14.3742 -14.3742 -14.2689 -14.2689 -14.2516 -14.2516 -14.2300 -14.2300 -14.2129 -14.2129 -14.1791 -14.1791 -14.1765 -14.1765 -11.8098 -11.8098 -10.6822 -10.6822 -2.1212 -2.1212 -2.1194 -2.1194 -2.1183 -2.1183 -1.3463 -1.3463 -1.3353 -1.3353 -1.2942 -1.2942 2.6417 2.6417 3.3760 3.3760 4.0325 4.0325 4.0327 4.0327 4.3620 4.3620 4.3701 4.3701 4.7036 4.7036 5.1658 5.1658 5.1674 5.1674 5.3482 5.3482 5.3494 5.3494 5.5398 5.5398 8.1519 8.1519 8.2686 8.2686 8.2690 8.2690 9.0183 9.0183 9.1545 9.1545 9.1569 9.1569 11.0262 11.0262 k = 0.3958 0.3958 0.3958 ( 6686 PWs) bands (ev): -33.1805 -33.1805 -33.1745 -33.1745 -33.1731 -33.1731 -33.1731 -33.1731 -15.2576 -15.2576 -14.6737 -14.6737 -14.6491 -14.6491 -14.5873 -14.5873 -14.3995 -14.3995 -14.3715 -14.3715 -14.2656 -14.2656 -14.2518 -14.2518 -14.2289 -14.2289 -14.2120 -14.2120 -14.1782 -14.1782 -14.1762 -14.1762 -11.8333 -11.8333 -10.6642 -10.6642 -2.1246 -2.1246 -2.1181 -2.1181 -2.1171 -2.1171 -1.3498 -1.3498 -1.3389 -1.3389 -1.2969 -1.2969 2.6519 2.6519 3.4353 3.4353 4.0217 4.0217 4.0219 4.0219 4.3842 4.3842 4.3926 4.3926 4.6838 4.6838 5.1963 5.1963 5.1976 5.1976 5.3289 5.3289 5.3298 5.3298 5.4966 5.4966 8.1249 8.1249 8.2234 8.2234 8.2238 8.2238 9.0031 9.0031 9.1197 9.1197 9.1219 9.1219 11.0742 11.0742 k = 0.4062 0.4062 0.4062 ( 6701 PWs) bands (ev): -33.1805 -33.1805 -33.1743 -33.1743 -33.1732 -33.1732 -33.1732 -33.1732 -15.2663 -15.2663 -14.6685 -14.6685 -14.6494 -14.6494 -14.5863 -14.5863 -14.3988 -14.3988 -14.3688 -14.3688 -14.2627 -14.2627 -14.2521 -14.2521 -14.2274 -14.2274 -14.2113 -14.2113 -14.1775 -14.1775 -14.1759 -14.1759 -11.8555 -11.8555 -10.6474 -10.6474 -2.1264 -2.1264 -2.1172 -2.1172 -2.1163 -2.1163 -1.3526 -1.3526 -1.3420 -1.3420 -1.3017 -1.3017 2.6623 2.6623 3.4966 3.4966 4.0115 4.0115 4.0117 4.0117 4.4056 4.4056 4.4142 4.4142 4.6641 4.6641 5.2165 5.2165 5.2173 5.2173 5.3198 5.3198 5.3202 5.3202 5.4506 5.4506 8.0998 8.0998 8.1813 8.1813 8.1817 8.1817 8.9892 8.9892 9.0867 9.0867 9.0886 9.0886 11.1254 11.1254 k = 0.4167 0.4167 0.4167 ( 6719 PWs) bands (ev): -33.1806 -33.1806 -33.1742 -33.1742 -33.1732 -33.1732 -33.1732 -33.1732 -15.2742 -15.2742 -14.6642 -14.6642 -14.6496 -14.6496 -14.5852 -14.5852 -14.3982 -14.3982 -14.3663 -14.3663 -14.2602 -14.2602 -14.2524 -14.2524 -14.2253 -14.2253 -14.2107 -14.2107 -14.1767 -14.1767 -14.1756 -14.1756 -11.8761 -11.8761 -10.6320 -10.6320 -2.1269 -2.1269 -2.1166 -2.1166 -2.1158 -2.1158 -1.3550 -1.3550 -1.3446 -1.3446 -1.3079 -1.3079 2.6726 2.6726 3.5590 3.5590 4.0021 4.0021 4.0023 4.0023 4.4258 4.4258 4.4347 4.4347 4.6444 4.6444 5.2204 5.2204 5.2206 5.2206 5.3264 5.3264 5.3266 5.3266 5.4027 5.4027 8.0767 8.0767 8.1424 8.1424 8.1427 8.1427 8.9768 8.9768 9.0560 9.0560 9.0576 9.0576 11.1791 11.1791 k = 0.4271 0.4271 0.4271 ( 6707 PWs) bands (ev): -33.1807 -33.1807 -33.1740 -33.1740 -33.1733 -33.1733 -33.1733 -33.1733 -15.2813 -15.2813 -14.6606 -14.6606 -14.6499 -14.6499 -14.5841 -14.5841 -14.3977 -14.3977 -14.3638 -14.3638 -14.2582 -14.2582 -14.2526 -14.2526 -14.2227 -14.2227 -14.2101 -14.2101 -14.1760 -14.1760 -14.1752 -14.1752 -11.8949 -11.8949 -10.6181 -10.6181 -2.1263 -2.1263 -2.1163 -2.1163 -2.1155 -2.1155 -1.3568 -1.3568 -1.3468 -1.3468 -1.3151 -1.3151 2.6828 2.6828 3.6214 3.6214 3.9935 3.9935 3.9936 3.9936 4.4447 4.4447 4.4539 4.4539 4.6248 4.6248 5.2114 5.2114 5.2114 5.2114 5.3448 5.3448 5.3452 5.3452 5.3545 5.3545 8.0559 8.0559 8.1071 8.1071 8.1074 8.1074 8.9659 8.9659 9.0280 9.0280 9.0293 9.0293 11.2344 11.2344 k = 0.4375 0.4375 0.4375 ( 6725 PWs) bands (ev): -33.1807 -33.1807 -33.1739 -33.1739 -33.1733 -33.1733 -33.1733 -33.1733 -15.2876 -15.2876 -14.6577 -14.6577 -14.6501 -14.6501 -14.5831 -14.5831 -14.3973 -14.3973 -14.3617 -14.3617 -14.2566 -14.2566 -14.2529 -14.2529 -14.2199 -14.2199 -14.2096 -14.2096 -14.1755 -14.1755 -14.1749 -14.1749 -11.9117 -11.9117 -10.6059 -10.6059 -2.1249 -2.1249 -2.1161 -2.1161 -2.1154 -2.1154 -1.3582 -1.3582 -1.3489 -1.3489 -1.3225 -1.3225 2.6924 2.6924 3.6825 3.6825 3.9858 3.9858 3.9859 3.9859 4.4619 4.4619 4.4714 4.4714 4.6052 4.6052 5.1975 5.1975 5.1976 5.1976 5.3074 5.3074 5.3672 5.3672 5.3676 5.3676 8.0374 8.0374 8.0757 8.0757 8.0759 8.0759 8.9563 8.9563 9.0029 9.0029 9.0040 9.0040 11.2901 11.2901 k = 0.4479 0.4479 0.4479 ( 6728 PWs) bands (ev): -33.1808 -33.1808 -33.1738 -33.1738 -33.1734 -33.1734 -33.1734 -33.1734 -15.2930 -15.2930 -14.6554 -14.6554 -14.6503 -14.6503 -14.5822 -14.5822 -14.3970 -14.3970 -14.3598 -14.3598 -14.2555 -14.2555 -14.2531 -14.2531 -14.2170 -14.2170 -14.2093 -14.2093 -14.1750 -14.1750 -14.1746 -14.1746 -11.9263 -11.9263 -10.5953 -10.5953 -2.1230 -2.1230 -2.1160 -2.1160 -2.1154 -2.1154 -1.3593 -1.3593 -1.3510 -1.3510 -1.3296 -1.3296 2.7011 2.7011 3.7409 3.7409 3.9792 3.9792 3.9793 3.9793 4.4771 4.4771 4.4869 4.4869 4.5857 4.5857 5.1831 5.1831 5.1833 5.1833 5.2632 5.2632 5.3890 5.3890 5.3893 5.3893 8.0214 8.0214 8.0484 8.0484 8.0486 8.0486 8.9482 8.9482 8.9811 8.9811 8.9820 8.9820 11.3444 11.3446 k = 0.4583 0.4583 0.4583 ( 6740 PWs) bands (ev): -33.1809 -33.1809 -33.1737 -33.1737 -33.1734 -33.1734 -33.1734 -33.1734 -15.2974 -15.2974 -14.6536 -14.6536 -14.6504 -14.6504 -14.5814 -14.5814 -14.3968 -14.3968 -14.3582 -14.3582 -14.2547 -14.2547 -14.2532 -14.2532 -14.2142 -14.2142 -14.2089 -14.2089 -14.1746 -14.1746 -14.1743 -14.1743 -11.9385 -11.9385 -10.5866 -10.5866 -2.1210 -2.1210 -2.1160 -2.1160 -2.1155 -2.1155 -1.3602 -1.3602 -1.3534 -1.3534 -1.3355 -1.3355 2.7088 2.7088 3.7947 3.7947 3.9737 3.9737 3.9737 3.9737 4.4899 4.4899 4.5002 4.5002 4.5669 4.5669 5.1700 5.1700 5.1704 5.1704 5.2236 5.2236 5.4082 5.4082 5.4085 5.4085 8.0081 8.0081 8.0256 8.0256 8.0258 8.0258 8.9416 8.9416 8.9628 8.9628 8.9636 8.9636 11.3946 11.3954 k = 0.4688 0.4687 0.4687 ( 6740 PWs) bands (ev): -33.1809 -33.1809 -33.1736 -33.1736 -33.1734 -33.1734 -33.1734 -33.1734 -15.3009 -15.3009 -14.6523 -14.6523 -14.6506 -14.6506 -14.5807 -14.5807 -14.3966 -14.3966 -14.3570 -14.3570 -14.2541 -14.2541 -14.2534 -14.2534 -14.2118 -14.2118 -14.2087 -14.2087 -14.1742 -14.1742 -14.1741 -14.1741 -11.9481 -11.9481 -10.5798 -10.5798 -2.1191 -2.1191 -2.1161 -2.1161 -2.1156 -2.1156 -1.3607 -1.3607 -1.3560 -1.3560 -1.3397 -1.3397 2.7150 2.7150 3.8414 3.8414 3.9693 3.9693 3.9693 3.9693 4.5001 4.5001 4.5110 4.5110 4.5496 4.5496 5.1591 5.1591 5.1596 5.1596 5.1905 5.1905 5.4240 5.4240 5.4241 5.4241 7.9976 7.9976 8.0075 8.0075 8.0077 8.0077 8.9364 8.9364 8.9484 8.9484 8.9491 8.9491 11.4377 11.4405 k = 0.4792 0.4792 0.4792 ( 6740 PWs) bands (ev): -33.1809 -33.1809 -33.1735 -33.1735 -33.1734 -33.1734 -33.1734 -33.1734 -15.3034 -15.3034 -14.6514 -14.6514 -14.6507 -14.6507 -14.5803 -14.5803 -14.3964 -14.3964 -14.3561 -14.3561 -14.2538 -14.2538 -14.2535 -14.2535 -14.2100 -14.2100 -14.2085 -14.2085 -14.1740 -14.1740 -14.1739 -14.1739 -11.9550 -11.9550 -10.5748 -10.5748 -2.1175 -2.1175 -2.1161 -2.1161 -2.1157 -2.1157 -1.3611 -1.3611 -1.3587 -1.3587 -1.3422 -1.3422 2.7196 2.7196 3.8781 3.8781 3.9662 3.9662 3.9662 3.9662 4.5070 4.5070 4.5189 4.5189 4.5357 4.5357 5.1509 5.1509 5.1516 5.1516 5.1655 5.1655 5.4356 5.4356 5.4356 5.4356 7.9900 7.9900 7.9944 7.9944 7.9946 7.9946 8.9327 8.9327 8.9380 8.9380 8.9386 8.9386 11.4621 11.4675 k = 0.4896 0.4896 0.4896 ( 6734 PWs) bands (ev): -33.1809 -33.1809 -33.1735 -33.1735 -33.1734 -33.1734 -33.1734 -33.1734 -15.3049 -15.3049 -14.6509 -14.6509 -14.6507 -14.6507 -14.5800 -14.5800 -14.3963 -14.3963 -14.3555 -14.3555 -14.2536 -14.2536 -14.2535 -14.2535 -14.2088 -14.2088 -14.2084 -14.2084 -14.1738 -14.1738 -14.1738 -14.1738 -11.9592 -11.9592 -10.5719 -10.5719 -2.1167 -2.1167 -2.1160 -2.1160 -2.1157 -2.1157 -1.3613 -1.3613 -1.3607 -1.3607 -1.3435 -1.3435 2.7225 2.7225 3.9018 3.9018 3.9643 3.9643 3.9643 3.9643 4.5099 4.5099 4.5237 4.5237 4.5275 4.5275 5.1459 5.1459 5.1466 5.1466 5.1500 5.1500 5.4427 5.4427 5.4427 5.4427 7.9854 7.9854 7.9865 7.9865 7.9866 7.9866 8.9304 8.9304 8.9318 8.9318 8.9322 8.9322 11.4889 11.4944 k = 0.5000 0.5000 0.5000 ( 6704 PWs) bands (ev): -33.1809 -33.1809 -33.1734 -33.1734 -33.1734 -33.1734 -33.1734 -33.1734 -15.3053 -15.3053 -14.6507 -14.6507 -14.6507 -14.6507 -14.5798 -14.5798 -14.3963 -14.3963 -14.3553 -14.3553 -14.2535 -14.2535 -14.2535 -14.2535 -14.2084 -14.2084 -14.2084 -14.2084 -14.1738 -14.1738 -14.1738 -14.1738 -11.9606 -11.9606 -10.5708 -10.5708 -2.1165 -2.1165 -2.1158 -2.1158 -2.1158 -2.1158 -1.3614 -1.3614 -1.3614 -1.3614 -1.3439 -1.3439 2.7235 2.7235 3.9101 3.9101 3.9636 3.9636 3.9636 3.9636 4.5100 4.5100 4.5254 4.5254 4.5254 4.5254 5.1442 5.1442 5.1442 5.1442 5.1454 5.1454 5.4451 5.4451 5.4451 5.4451 7.9838 7.9838 7.9840 7.9840 7.9840 7.9840 8.9293 8.9293 8.9301 8.9301 8.9301 8.9301 11.5062 11.5064 k = 0.5000 0.5000 0.5000 ( 6704 PWs) bands (ev): -33.1809 -33.1809 -33.1734 -33.1734 -33.1734 -33.1734 -33.1734 -33.1734 -15.3053 -15.3053 -14.6507 -14.6507 -14.6507 -14.6507 -14.5798 -14.5798 -14.3963 -14.3963 -14.3553 -14.3553 -14.2535 -14.2535 -14.2535 -14.2535 -14.2084 -14.2084 -14.2084 -14.2084 -14.1738 -14.1738 -14.1738 -14.1738 -11.9606 -11.9606 -10.5708 -10.5708 -2.1165 -2.1165 -2.1158 -2.1158 -2.1158 -2.1158 -1.3614 -1.3614 -1.3614 -1.3614 -1.3439 -1.3439 2.7235 2.7235 3.9101 3.9101 3.9636 3.9636 3.9636 3.9636 4.5100 4.5100 4.5254 4.5254 4.5254 4.5254 5.1442 5.1442 5.1442 5.1442 5.1454 5.1454 5.4451 5.4451 5.4451 5.4451 7.9838 7.9838 7.9840 7.9840 7.9840 7.9840 8.9293 8.9293 8.9301 8.9301 8.9301 8.9301 11.5062 11.5065 k = 0.4872 0.5000 0.4872 ( 6732 PWs) bands (ev): -33.1809 -33.1809 -33.1735 -33.1735 -33.1735 -33.1735 -33.1734 -33.1734 -15.3049 -15.3049 -14.6509 -14.6509 -14.6507 -14.6507 -14.5800 -14.5800 -14.3963 -14.3963 -14.3555 -14.3555 -14.2536 -14.2536 -14.2535 -14.2535 -14.2088 -14.2088 -14.2084 -14.2084 -14.1738 -14.1738 -14.1738 -14.1738 -11.9592 -11.9592 -10.5719 -10.5719 -2.1168 -2.1168 -2.1160 -2.1160 -2.1155 -2.1155 -1.3614 -1.3614 -1.3607 -1.3607 -1.3435 -1.3435 2.7225 2.7225 3.9018 3.9018 3.9642 3.9642 3.9644 3.9644 4.5095 4.5095 4.5233 4.5233 4.5284 4.5284 5.1452 5.1452 5.1482 5.1482 5.1492 5.1492 5.4424 5.4424 5.4429 5.4429 7.9847 7.9847 7.9864 7.9864 7.9875 7.9875 8.9307 8.9307 8.9313 8.9313 8.9325 8.9325 11.4825 11.4966 k = 0.4744 0.5000 0.4744 ( 6734 PWs) bands (ev): -33.1809 -33.1809 -33.1735 -33.1735 -33.1735 -33.1735 -33.1734 -33.1734 -15.3034 -15.3034 -14.6515 -14.6515 -14.6506 -14.6506 -14.5803 -14.5803 -14.3964 -14.3964 -14.3561 -14.3561 -14.2538 -14.2538 -14.2535 -14.2535 -14.2100 -14.2100 -14.2086 -14.2086 -14.1740 -14.1740 -14.1739 -14.1739 -11.9550 -11.9550 -10.5749 -10.5749 -2.1185 -2.1185 -2.1162 -2.1162 -2.1146 -2.1146 -1.3613 -1.3613 -1.3585 -1.3585 -1.3422 -1.3422 2.7196 2.7196 3.8779 3.8779 3.9657 3.9657 3.9667 3.9667 4.5027 4.5027 4.5194 4.5194 4.5395 4.5395 5.1472 5.1472 5.1596 5.1596 5.1615 5.1615 5.4344 5.4344 5.4366 5.4366 7.9870 7.9870 7.9939 7.9939 7.9984 7.9984 8.9343 8.9343 8.9349 8.9349 8.9403 8.9403 11.4415 11.4684 k = 0.4615 0.5000 0.4615 ( 6738 PWs) bands (ev): -33.1809 -33.1809 -33.1736 -33.1736 -33.1735 -33.1735 -33.1734 -33.1734 -15.3008 -15.3008 -14.6525 -14.6525 -14.6504 -14.6504 -14.5807 -14.5807 -14.3966 -14.3966 -14.3570 -14.3570 -14.2541 -14.2541 -14.2534 -14.2534 -14.2118 -14.2118 -14.2088 -14.2088 -14.1742 -14.1742 -14.1741 -14.1741 -11.9479 -11.9479 -10.5799 -10.5799 -2.1214 -2.1214 -2.1164 -2.1164 -2.1130 -2.1130 -1.3617 -1.3617 -1.3549 -1.3549 -1.3398 -1.3398 2.7149 2.7149 3.8410 3.8410 3.9684 3.9684 3.9705 3.9705 4.4872 4.4872 4.5157 4.5157 4.5578 4.5578 5.1504 5.1504 5.1781 5.1781 5.1810 5.1810 5.4214 5.4214 5.4263 5.4263 7.9909 7.9909 8.0062 8.0062 8.0162 8.0162 8.9401 8.9401 8.9411 8.9411 8.9533 8.9533 11.4161 11.4491 k = 0.4487 0.5000 0.4487 ( 6738 PWs) bands (ev): -33.1809 -33.1809 -33.1736 -33.1736 -33.1735 -33.1735 -33.1734 -33.1734 -15.2973 -15.2973 -14.6539 -14.6539 -14.6502 -14.6502 -14.5814 -14.5814 -14.3968 -14.3968 -14.3582 -14.3582 -14.2546 -14.2546 -14.2533 -14.2533 -14.2142 -14.2142 -14.2090 -14.2090 -14.1746 -14.1746 -14.1744 -14.1744 -11.9382 -11.9382 -10.5868 -10.5868 -2.1253 -2.1253 -2.1166 -2.1166 -2.1106 -2.1106 -1.3627 -1.3627 -1.3500 -1.3500 -1.3360 -1.3360 2.7086 2.7086 3.7944 3.7944 3.9720 3.9720 3.9757 3.9757 4.4656 4.4656 4.5115 4.5115 4.5797 4.5797 5.1547 5.1547 5.2035 5.2035 5.2062 5.2062 5.4038 5.4038 5.4123 5.4123 7.9963 7.9963 8.0234 8.0234 8.0406 8.0406 8.9481 8.9481 8.9500 8.9500 8.9711 8.9711 11.3712 11.4102 k = 0.4359 0.5000 0.4359 ( 6726 PWs) bands (ev): -33.1808 -33.1808 -33.1737 -33.1737 -33.1734 -33.1734 -33.1733 -33.1733 -15.2928 -15.2928 -14.6558 -14.6558 -14.6499 -14.6499 -14.5822 -14.5822 -14.3970 -14.3970 -14.3598 -14.3598 -14.2554 -14.2554 -14.2531 -14.2531 -14.2170 -14.2170 -14.2094 -14.2094 -14.1750 -14.1750 -14.1747 -14.1747 -11.9259 -11.9259 -10.5956 -10.5956 -2.1301 -2.1301 -2.1168 -2.1168 -2.1077 -2.1077 -1.3644 -1.3644 -1.3441 -1.3441 -1.3310 -1.3310 2.7008 2.7008 3.7408 3.7408 3.9767 3.9767 3.9824 3.9824 4.4400 4.4400 4.5065 4.5065 4.6029 4.6029 5.1597 5.1597 5.2341 5.2341 5.2359 5.2359 5.3822 5.3822 5.3956 5.3956 8.0031 8.0031 8.0451 8.0451 8.0710 8.0710 8.9583 8.9583 8.9616 8.9616 8.9935 8.9935 11.3180 11.3582 k = 0.4231 0.5000 0.4231 ( 6722 PWs) bands (ev): -33.1807 -33.1807 -33.1738 -33.1738 -33.1734 -33.1734 -33.1733 -33.1733 -15.2874 -15.2874 -14.6583 -14.6583 -14.6496 -14.6496 -14.5832 -14.5832 -14.3973 -14.3973 -14.3618 -14.3618 -14.2564 -14.2564 -14.2529 -14.2529 -14.2199 -14.2199 -14.2098 -14.2098 -14.1755 -14.1755 -14.1750 -14.1750 -11.9111 -11.9111 -10.6063 -10.6063 -2.1356 -2.1356 -2.1168 -2.1168 -2.1041 -2.1041 -1.3668 -1.3668 -1.3374 -1.3374 -1.3248 -1.3248 2.6918 2.6918 3.6826 3.6826 3.9823 3.9823 3.9904 3.9904 4.4117 4.4117 4.5004 4.5004 4.6258 4.6258 5.1650 5.1650 5.2637 5.2637 5.2725 5.2725 5.3576 5.3576 5.3779 5.3779 8.0114 8.0114 8.0712 8.0712 8.1070 8.1070 8.9706 8.9706 8.9760 8.9760 9.0200 9.0200 11.3109 11.3159 k = 0.4103 0.5000 0.4103 ( 6710 PWs) bands (ev): -33.1807 -33.1807 -33.1740 -33.1740 -33.1734 -33.1734 -33.1732 -33.1732 -15.2810 -15.2810 -14.6614 -14.6614 -14.6492 -14.6492 -14.5842 -14.5842 -14.3977 -14.3977 -14.3641 -14.3641 -14.2579 -14.2579 -14.2527 -14.2527 -14.2228 -14.2228 -14.2103 -14.2103 -14.1760 -14.1760 -14.1754 -14.1754 -11.8939 -11.8939 -10.6188 -10.6188 -2.1417 -2.1417 -2.1166 -2.1166 -2.0998 -2.0998 -1.3698 -1.3698 -1.3301 -1.3301 -1.3179 -1.3179 2.6820 2.6820 3.6216 3.6216 3.9888 3.9888 3.9996 3.9996 4.3816 4.3816 4.4935 4.4935 4.6478 4.6478 5.1696 5.1696 5.2861 5.2861 5.3137 5.3137 5.3313 5.3313 5.3659 5.3659 8.0210 8.0210 8.1014 8.1014 8.1478 8.1478 8.9851 8.9851 8.9934 8.9934 9.0503 9.0503 11.2623 11.2629 k = 0.3974 0.5000 0.3974 ( 6706 PWs) bands (ev): -33.1806 -33.1806 -33.1741 -33.1741 -33.1734 -33.1734 -33.1731 -33.1731 -15.2737 -15.2737 -14.6653 -14.6653 -14.6487 -14.6487 -14.5854 -14.5854 -14.3982 -14.3982 -14.3666 -14.3666 -14.2597 -14.2597 -14.2525 -14.2525 -14.2254 -14.2254 -14.2109 -14.2109 -14.1766 -14.1766 -14.1759 -14.1759 -11.8747 -11.8747 -10.6330 -10.6330 -2.1481 -2.1481 -2.1161 -2.1161 -2.0950 -2.0950 -1.3733 -1.3733 -1.3226 -1.3226 -1.3104 -1.3104 2.6716 2.6716 3.5591 3.5591 3.9962 3.9962 4.0100 4.0100 4.3505 4.3505 4.4856 4.4856 4.6686 4.6686 5.1713 5.1713 5.2861 5.2861 5.3060 5.3060 5.3582 5.3582 5.3744 5.3744 8.0319 8.0319 8.1354 8.1354 8.1927 8.1927 9.0015 9.0015 9.0140 9.0140 9.0837 9.0837 11.2079 11.2081 k = 0.3846 0.5000 0.3846 ( 6698 PWs) bands (ev): -33.1805 -33.1805 -33.1743 -33.1743 -33.1734 -33.1734 -33.1731 -33.1731 -15.2656 -15.2656 -14.6700 -14.6700 -14.6482 -14.6482 -14.5866 -14.5866 -14.3987 -14.3987 -14.3694 -14.3694 -14.2620 -14.2620 -14.2522 -14.2522 -14.2277 -14.2277 -14.2115 -14.2115 -14.1773 -14.1773 -14.1764 -14.1764 -11.8534 -11.8534 -10.6489 -10.6489 -2.1546 -2.1546 -2.1151 -2.1151 -2.0897 -2.0897 -1.3774 -1.3774 -1.3152 -1.3152 -1.3025 -1.3025 2.6611 2.6611 3.4962 3.4962 4.0045 4.0045 4.0215 4.0215 4.3190 4.3190 4.4769 4.4769 4.6883 4.6883 5.1661 5.1661 5.2651 5.2651 5.2862 5.2862 5.4011 5.4011 5.4051 5.4051 8.0441 8.0441 8.1730 8.1730 8.2409 8.2409 9.0198 9.0198 9.0379 9.0379 9.1198 9.1198 11.1530 11.1530 k = 0.3718 0.5000 0.3718 ( 6692 PWs) bands (ev): -33.1804 -33.1804 -33.1745 -33.1745 -33.1734 -33.1734 -33.1730 -33.1730 -15.2566 -15.2566 -14.6756 -14.6756 -14.6476 -14.6476 -14.5878 -14.5878 -14.3994 -14.3994 -14.3723 -14.3723 -14.2646 -14.2646 -14.2519 -14.2519 -14.2294 -14.2294 -14.2122 -14.2122 -14.1780 -14.1780 -14.1770 -14.1770 -11.8304 -11.8304 -10.6663 -10.6663 -2.1612 -2.1612 -2.1137 -2.1137 -2.0838 -2.0838 -1.3819 -1.3819 -1.3082 -1.3082 -1.2944 -1.2944 2.6506 2.6506 3.4339 3.4339 4.0135 4.0135 4.0338 4.0338 4.2876 4.2876 4.4675 4.4675 4.7072 4.7072 5.1494 5.1494 5.2356 5.2356 5.2768 5.2768 5.4342 5.4342 5.4523 5.4523 8.0574 8.0574 8.2138 8.2138 8.2916 8.2916 9.0400 9.0400 9.0655 9.0655 9.1581 9.1581 11.0982 11.0982 k = 0.3590 0.5000 0.3590 ( 6694 PWs) bands (ev): -33.1803 -33.1803 -33.1747 -33.1747 -33.1733 -33.1733 -33.1729 -33.1729 -15.2469 -15.2469 -14.6822 -14.6822 -14.6470 -14.6470 -14.5890 -14.5890 -14.4002 -14.4002 -14.3753 -14.3753 -14.2676 -14.2676 -14.2516 -14.2516 -14.2306 -14.2306 -14.2130 -14.2130 -14.1788 -14.1788 -14.1775 -14.1775 -11.8058 -11.8058 -10.6851 -10.6851 -2.1675 -2.1675 -2.1116 -2.1116 -2.0774 -2.0774 -1.3867 -1.3867 -1.3020 -1.3020 -1.2865 -1.2865 2.6407 2.6407 3.3727 3.3727 4.0233 4.0233 4.0469 4.0469 4.2566 4.2566 4.4574 4.4574 4.7256 4.7256 5.1211 5.1211 5.2022 5.2022 5.2783 5.2783 5.4678 5.4678 5.4998 5.4998 8.0720 8.0720 8.2574 8.2574 8.3440 8.3440 9.0618 9.0618 9.0968 9.0968 9.1979 9.1979 11.0444 11.0444 k = 0.3462 0.5000 0.3462 ( 6698 PWs) bands (ev): -33.1803 -33.1803 -33.1749 -33.1749 -33.1733 -33.1733 -33.1728 -33.1728 -15.2364 -15.2364 -14.6899 -14.6899 -14.6464 -14.6464 -14.5901 -14.5901 -14.4013 -14.4013 -14.3782 -14.3782 -14.2706 -14.2706 -14.2513 -14.2513 -14.2314 -14.2314 -14.2139 -14.2139 -14.1797 -14.1797 -14.1782 -14.1782 -11.7799 -11.7799 -10.7053 -10.7053 -2.1734 -2.1734 -2.1089 -2.1089 -2.0705 -2.0705 -1.3920 -1.3920 -1.2968 -1.2968 -1.2789 -1.2789 2.6316 2.6316 3.3133 3.3133 4.0337 4.0337 4.0606 4.0606 4.2264 4.2264 4.4466 4.4466 4.7439 4.7439 5.0853 5.0853 5.1665 5.1665 5.2870 5.2870 5.5004 5.5004 5.5464 5.5464 8.0877 8.0877 8.3034 8.3034 8.3973 8.3973 9.0853 9.0853 9.1323 9.1323 9.2388 9.2388 10.9921 10.9921 k = 0.3333 0.5000 0.3333 ( 6696 PWs) bands (ev): -33.1802 -33.1802 -33.1751 -33.1751 -33.1733 -33.1733 -33.1727 -33.1727 -15.2253 -15.2253 -14.6986 -14.6986 -14.6457 -14.6457 -14.5911 -14.5911 -14.4024 -14.4024 -14.3809 -14.3809 -14.2736 -14.2736 -14.2509 -14.2509 -14.2318 -14.2318 -14.2148 -14.2148 -14.1805 -14.1805 -14.1788 -14.1788 -11.7528 -11.7528 -10.7266 -10.7266 -2.1788 -2.1788 -2.1054 -2.1054 -2.0633 -2.0633 -1.3975 -1.3975 -1.2929 -1.2929 -1.2720 -1.2720 2.6236 2.6236 3.2562 3.2562 4.0447 4.0447 4.0749 4.0749 4.1971 4.1971 4.4354 4.4354 4.7622 4.7622 5.0451 5.0451 5.1293 5.1293 5.3000 5.3000 5.5309 5.5309 5.5914 5.5914 8.1047 8.1047 8.3515 8.3515 8.4508 8.4508 9.1102 9.1102 9.1719 9.1719 9.2803 9.2803 10.9416 10.9416 k = 0.3205 0.5000 0.3205 ( 6694 PWs) bands (ev): -33.1801 -33.1801 -33.1754 -33.1754 -33.1732 -33.1732 -33.1726 -33.1726 -15.2136 -15.2136 -14.7084 -14.7084 -14.6449 -14.6449 -14.5920 -14.5920 -14.4038 -14.4038 -14.3834 -14.3834 -14.2765 -14.2765 -14.2505 -14.2505 -14.2320 -14.2320 -14.2158 -14.2158 -14.1814 -14.1814 -14.1795 -14.1795 -11.7248 -11.7248 -10.7491 -10.7491 -2.1835 -2.1835 -2.1011 -2.1011 -2.0556 -2.0556 -1.4033 -1.4033 -1.2906 -1.2906 -1.2659 -1.2659 2.6171 2.6171 3.2017 3.2017 4.0562 4.0562 4.0894 4.0894 4.1692 4.1692 4.4237 4.4237 4.7810 4.7810 5.0026 5.0026 5.0910 5.0910 5.3158 5.3158 5.5588 5.5588 5.6341 5.6341 8.1228 8.1228 8.4012 8.4012 8.5038 8.5038 9.1365 9.1365 9.2159 9.2159 9.3219 9.3219 10.8931 10.8931 k = 0.3077 0.5000 0.3077 ( 6686 PWs) bands (ev): -33.1801 -33.1801 -33.1756 -33.1756 -33.1731 -33.1731 -33.1725 -33.1725 -15.2013 -15.2013 -14.7192 -14.7192 -14.6441 -14.6441 -14.5928 -14.5928 -14.4053 -14.4053 -14.3855 -14.3855 -14.2792 -14.2792 -14.2501 -14.2501 -14.2319 -14.2319 -14.2168 -14.2168 -14.1822 -14.1822 -14.1802 -14.1802 -11.6960 -11.6960 -10.7724 -10.7724 -2.1873 -2.1873 -2.0960 -2.0960 -2.0477 -2.0477 -1.4093 -1.4093 -1.2900 -1.2900 -1.2610 -1.2610 2.6122 2.6122 3.1502 3.1502 4.0681 4.0681 4.1042 4.1042 4.1427 4.1427 4.4117 4.4117 4.8003 4.8003 4.9587 4.9587 5.0520 5.0520 5.3333 5.3333 5.5835 5.5835 5.6740 5.6740 8.1422 8.1422 8.4520 8.4520 8.5560 8.5560 9.1641 9.1641 9.2641 9.2641 9.3635 9.3635 10.8468 10.8468 k = 0.2949 0.5000 0.2949 ( 6686 PWs) bands (ev): -33.1800 -33.1800 -33.1759 -33.1759 -33.1730 -33.1730 -33.1724 -33.1724 -15.1886 -15.1886 -14.7308 -14.7308 -14.6433 -14.6433 -14.5935 -14.5935 -14.4070 -14.4070 -14.3872 -14.3872 -14.2817 -14.2817 -14.2498 -14.2498 -14.2317 -14.2317 -14.2178 -14.2178 -14.1831 -14.1831 -14.1809 -14.1809 -11.6667 -11.6667 -10.7966 -10.7966 -2.1902 -2.1902 -2.0899 -2.0899 -2.0394 -2.0394 -1.4155 -1.4155 -1.2913 -1.2913 -1.2575 -1.2575 2.6092 2.6092 3.1021 3.1021 4.0803 4.0803 4.1174 4.1174 4.1195 4.1195 4.3994 4.3994 4.8205 4.8205 4.9142 4.9142 5.0127 5.0127 5.3522 5.3522 5.6045 5.6045 5.7106 5.7106 8.1630 8.1630 8.5035 8.5035 8.6068 8.6068 9.1927 9.1927 9.3162 9.3162 9.4048 9.4048 10.8027 10.8027 k = 0.2821 0.5000 0.2821 ( 6688 PWs) bands (ev): -33.1799 -33.1799 -33.1761 -33.1761 -33.1730 -33.1730 -33.1723 -33.1723 -15.1755 -15.1755 -14.7433 -14.7433 -14.6425 -14.6425 -14.5942 -14.5942 -14.4087 -14.4087 -14.3887 -14.3887 -14.2839 -14.2839 -14.2494 -14.2494 -14.2313 -14.2313 -14.2189 -14.2189 -14.1840 -14.1840 -14.1816 -14.1816 -11.6370 -11.6370 -10.8214 -10.8214 -2.1919 -2.1919 -2.0829 -2.0829 -2.0310 -2.0310 -1.4219 -1.4219 -1.2947 -1.2947 -1.2555 -1.2555 2.6082 2.6082 3.0574 3.0574 4.0919 4.0919 4.0956 4.0956 4.1339 4.1339 4.3870 4.3870 4.8415 4.8415 4.8696 4.8696 4.9733 4.9733 5.3721 5.3721 5.6216 5.6216 5.7436 5.7436 8.1854 8.1854 8.5550 8.5550 8.6561 8.6561 9.2223 9.2223 9.3718 9.3718 9.4458 9.4458 10.7609 10.7609 k = 0.2692 0.5000 0.2692 ( 6688 PWs) bands (ev): -33.1799 -33.1799 -33.1764 -33.1764 -33.1728 -33.1728 -33.1721 -33.1721 -15.1620 -15.1620 -14.7564 -14.7564 -14.6416 -14.6416 -14.5947 -14.5947 -14.4104 -14.4104 -14.3899 -14.3899 -14.2859 -14.2859 -14.2491 -14.2491 -14.2309 -14.2309 -14.2199 -14.2199 -14.1848 -14.1848 -14.1823 -14.1823 -11.6072 -11.6072 -10.8467 -10.8467 -2.1925 -2.1925 -2.0750 -2.0750 -2.0223 -2.0223 -1.4283 -1.4283 -1.3003 -1.3003 -1.2551 -1.2551 2.6092 2.6092 3.0164 3.0164 4.0735 4.0735 4.1057 4.1057 4.1485 4.1485 4.3745 4.3745 4.8252 4.8252 4.8634 4.8634 4.9341 4.9341 5.3928 5.3928 5.6345 5.6345 5.7725 5.7725 8.2093 8.2093 8.6060 8.6060 8.7038 8.7038 9.2527 9.2527 9.4303 9.4303 9.4866 9.4866 10.7213 10.7213 k = 0.2564 0.5000 0.2564 ( 6694 PWs) bands (ev): -33.1799 -33.1799 -33.1767 -33.1767 -33.1727 -33.1727 -33.1720 -33.1720 -15.1483 -15.1483 -14.7700 -14.7700 -14.6406 -14.6406 -14.5952 -14.5952 -14.4120 -14.4120 -14.3909 -14.3909 -14.2876 -14.2876 -14.2488 -14.2488 -14.2304 -14.2304 -14.2209 -14.2209 -14.1857 -14.1857 -14.1830 -14.1830 -11.5774 -11.5774 -10.8724 -10.8724 -2.1917 -2.1917 -2.0660 -2.0660 -2.0135 -2.0135 -1.4348 -1.4348 -1.3083 -1.3083 -1.2566 -1.2566 2.6123 2.6123 2.9792 2.9792 4.0547 4.0547 4.1185 4.1185 4.1629 4.1629 4.3619 4.3619 4.7814 4.7814 4.8863 4.8863 4.8954 4.8954 5.4140 5.4140 5.6431 5.6431 5.7973 5.7973 8.2350 8.2350 8.6558 8.6558 8.7500 8.7500 9.2837 9.2837 9.4908 9.4908 9.5276 9.5276 10.6837 10.6837 k = 0.2436 0.5000 0.2436 ( 6694 PWs) bands (ev): -33.1799 -33.1799 -33.1770 -33.1770 -33.1726 -33.1726 -33.1719 -33.1719 -15.1344 -15.1344 -14.7840 -14.7840 -14.6397 -14.6397 -14.5957 -14.5957 -14.4135 -14.4135 -14.3918 -14.3918 -14.2890 -14.2890 -14.2486 -14.2486 -14.2299 -14.2299 -14.2218 -14.2218 -14.1865 -14.1865 -14.1837 -14.1837 -11.5479 -11.5479 -10.8983 -10.8983 -2.1896 -2.1896 -2.0560 -2.0560 -2.0047 -2.0047 -1.4413 -1.4413 -1.3186 -1.3186 -1.2599 -1.2599 2.6175 2.6175 2.9458 2.9458 4.0382 4.0382 4.1313 4.1313 4.1770 4.1770 4.3495 4.3495 4.7384 4.7384 4.8570 4.8570 4.9103 4.9103 5.4356 5.4356 5.6471 5.6471 5.8177 5.8177 8.2626 8.2626 8.7039 8.7039 8.7950 8.7950 9.3153 9.3153 9.5524 9.5524 9.5691 9.5691 10.6478 10.6478 k = 0.2308 0.5000 0.2308 ( 6694 PWs) bands (ev): -33.1798 -33.1798 -33.1772 -33.1772 -33.1725 -33.1725 -33.1718 -33.1718 -15.1205 -15.1205 -14.7982 -14.7982 -14.6386 -14.6386 -14.5961 -14.5961 -14.4147 -14.4147 -14.3925 -14.3925 -14.2902 -14.2902 -14.2485 -14.2485 -14.2293 -14.2293 -14.2226 -14.2226 -14.1873 -14.1873 -14.1843 -14.1843 -11.5188 -11.5188 -10.9241 -10.9241 -2.1860 -2.1860 -2.0451 -2.0451 -1.9959 -1.9959 -1.4477 -1.4477 -1.3313 -1.3313 -1.2651 -1.2651 2.6246 2.6246 2.9162 2.9162 4.0243 4.0243 4.1441 4.1441 4.1908 4.1908 4.3372 4.3372 4.6964 4.6964 4.8195 4.8195 4.9351 4.9351 5.4574 5.4574 5.6467 5.6467 5.8337 5.8337 8.2923 8.2923 8.7495 8.7495 8.8388 8.8388 9.3472 9.3472 9.6116 9.6116 9.6137 9.6137 10.6133 10.6133 k = 0.2179 0.5000 0.2179 ( 6694 PWs) bands (ev): -33.1799 -33.1799 -33.1775 -33.1775 -33.1723 -33.1723 -33.1717 -33.1717 -15.1066 -15.1066 -14.8125 -14.8125 -14.6376 -14.6376 -14.5965 -14.5965 -14.4158 -14.4158 -14.3932 -14.3932 -14.2911 -14.2911 -14.2485 -14.2485 -14.2289 -14.2289 -14.2233 -14.2233 -14.1880 -14.1880 -14.1850 -14.1850 -11.4902 -11.4902 -10.9498 -10.9498 -2.1809 -2.1809 -2.0331 -2.0331 -1.9871 -1.9871 -1.4541 -1.4541 -1.3464 -1.3464 -1.2722 -1.2722 2.6335 2.6335 2.8904 2.8904 4.0131 4.0131 4.1566 4.1566 4.2041 4.2041 4.3252 4.3252 4.6557 4.6557 4.7829 4.7829 4.9607 4.9607 5.4793 5.4793 5.6418 5.6418 5.8453 5.8453 8.3241 8.3241 8.7922 8.7922 8.8818 8.8818 9.3792 9.3792 9.6556 9.6556 9.6736 9.6736 10.5793 10.5793 k = 0.2051 0.5000 0.2051 ( 6686 PWs) bands (ev): -33.1799 -33.1799 -33.1778 -33.1778 -33.1722 -33.1722 -33.1715 -33.1715 -15.0928 -15.0928 -14.8266 -14.8266 -14.6365 -14.6365 -14.5970 -14.5970 -14.4167 -14.4167 -14.3939 -14.3939 -14.2917 -14.2917 -14.2487 -14.2487 -14.2284 -14.2284 -14.2237 -14.2237 -14.1887 -14.1887 -14.1856 -14.1856 -11.4623 -11.4623 -10.9752 -10.9752 -2.1742 -2.1742 -2.0202 -2.0202 -1.9784 -1.9784 -1.4603 -1.4603 -1.3639 -1.3639 -1.2812 -1.2812 2.6440 2.6440 2.8682 2.8682 4.0048 4.0048 4.1690 4.1690 4.2170 4.2170 4.3134 4.3134 4.6164 4.6164 4.7472 4.7472 4.9869 4.9869 5.5010 5.5010 5.6327 5.6327 5.8527 5.8527 8.3582 8.3582 8.8314 8.8314 8.9243 8.9243 9.4113 9.4113 9.7014 9.7014 9.7305 9.7305 10.5446 10.5446 k = 0.1923 0.5000 0.1923 ( 6676 PWs) bands (ev): -33.1799 -33.1799 -33.1780 -33.1780 -33.1720 -33.1720 -33.1714 -33.1714 -15.0792 -15.0792 -14.8406 -14.8406 -14.6353 -14.6353 -14.5974 -14.5974 -14.4173 -14.4173 -14.3945 -14.3945 -14.2921 -14.2921 -14.2492 -14.2492 -14.2281 -14.2281 -14.2238 -14.2238 -14.1893 -14.1893 -14.1862 -14.1862 -11.4354 -11.4354 -11.0002 -11.0002 -2.1659 -2.1659 -2.0064 -2.0064 -1.9698 -1.9698 -1.4664 -1.4664 -1.3836 -1.3836 -1.2920 -1.2920 2.6557 2.6557 2.8494 2.8494 3.9996 3.9996 4.1810 4.1810 4.2295 4.2295 4.3021 4.3021 4.5788 4.5788 4.7126 4.7126 5.0137 5.0137 5.5224 5.5224 5.6195 5.6195 5.8559 5.8559 8.3947 8.3947 8.8667 8.8667 8.9664 8.9664 9.4432 9.4432 9.7494 9.7494 9.7831 9.7831 10.5065 10.5065 k = 0.1795 0.5000 0.1795 ( 6666 PWs) bands (ev): -33.1799 -33.1799 -33.1783 -33.1783 -33.1718 -33.1718 -33.1713 -33.1713 -15.0659 -15.0659 -14.8541 -14.8541 -14.6341 -14.6341 -14.5979 -14.5979 -14.4178 -14.4178 -14.3952 -14.3952 -14.2923 -14.2923 -14.2498 -14.2498 -14.2277 -14.2277 -14.2238 -14.2238 -14.1898 -14.1898 -14.1867 -14.1867 -11.4094 -11.4094 -11.0244 -11.0244 -2.1559 -2.1559 -1.9916 -1.9916 -1.9615 -1.9615 -1.4723 -1.4723 -1.4055 -1.4055 -1.3045 -1.3045 2.6685 2.6685 2.8339 2.8339 3.9976 3.9976 4.1926 4.1926 4.2415 4.2415 4.2912 4.2912 4.5429 4.5429 4.6791 4.6791 5.0407 5.0407 5.5434 5.5434 5.6025 5.6025 5.8554 5.8554 8.4334 8.4334 8.8980 8.8980 9.0084 9.0084 9.4747 9.4747 9.7998 9.7998 9.8298 9.8298 10.4608 10.4608 k = 0.1667 0.5000 0.1667 ( 6666 PWs) bands (ev): -33.1799 -33.1799 -33.1785 -33.1785 -33.1717 -33.1717 -33.1712 -33.1712 -15.0531 -15.0531 -14.8673 -14.8673 -14.6329 -14.6329 -14.5985 -14.5985 -14.4182 -14.4182 -14.3960 -14.3960 -14.2922 -14.2922 -14.2507 -14.2507 -14.2274 -14.2274 -14.2236 -14.2236 -14.1904 -14.1904 -14.1872 -14.1872 -11.3846 -11.3846 -11.0479 -11.0479 -2.1443 -2.1443 -1.9760 -1.9760 -1.9535 -1.9535 -1.4780 -1.4780 -1.4293 -1.4293 -1.3186 -1.3186 2.6819 2.6819 2.8215 2.8215 3.9988 3.9988 4.2037 4.2037 4.2531 4.2531 4.2809 4.2809 4.5089 4.5089 4.6467 4.6467 5.0679 5.0679 5.5638 5.5638 5.5821 5.5821 5.8513 5.8513 8.4745 8.4745 8.9252 8.9252 9.0505 9.0505 9.5056 9.5056 9.8523 9.8523 9.8693 9.8693 10.4028 10.4028 k = 0.1538 0.5000 0.1538 ( 6670 PWs) bands (ev): -33.1799 -33.1799 -33.1788 -33.1788 -33.1715 -33.1715 -33.1711 -33.1711 -15.0407 -15.0407 -14.8798 -14.8798 -14.6316 -14.6316 -14.5991 -14.5991 -14.4184 -14.4184 -14.3968 -14.3968 -14.2919 -14.2919 -14.2519 -14.2519 -14.2271 -14.2271 -14.2233 -14.2233 -14.1908 -14.1908 -14.1877 -14.1877 -11.3612 -11.3612 -11.0704 -11.0704 -2.1311 -2.1311 -1.9597 -1.9597 -1.9458 -1.9458 -1.4835 -1.4835 -1.4549 -1.4549 -1.3342 -1.3342 2.6957 2.6957 2.8117 2.8117 4.0034 4.0034 4.2142 4.2142 4.2641 4.2641 4.2713 4.2713 4.4769 4.4769 4.6155 4.6155 5.0949 5.0949 5.5587 5.5587 5.5834 5.5834 5.8441 5.8441 8.5179 8.5179 8.9484 8.9484 9.0928 9.0928 9.5358 9.5358 9.9003 9.9003 9.9072 9.9072 10.3322 10.3322 k = 0.1410 0.5000 0.1410 ( 6682 PWs) bands (ev): -33.1800 -33.1800 -33.1790 -33.1790 -33.1714 -33.1714 -33.1710 -33.1710 -15.0289 -15.0289 -14.8917 -14.8917 -14.6303 -14.6303 -14.5998 -14.5998 -14.4184 -14.4184 -14.3977 -14.3977 -14.2914 -14.2914 -14.2532 -14.2532 -14.2267 -14.2267 -14.2230 -14.2230 -14.1912 -14.1912 -14.1881 -14.1881 -11.3391 -11.3391 -11.0918 -11.0918 -2.1161 -2.1161 -1.9427 -1.9427 -1.9385 -1.9385 -1.4895 -1.4895 -1.4814 -1.4814 -1.3510 -1.3510 2.7095 2.7095 2.8044 2.8044 4.0114 4.0114 4.2238 4.2238 4.2624 4.2624 4.2748 4.2748 4.4471 4.4471 4.5855 4.5855 5.1215 5.1215 5.5330 5.5330 5.6021 5.6021 5.8343 5.8343 8.5634 8.5634 8.9679 8.9679 9.1354 9.1354 9.5649 9.5649 9.9225 9.9225 9.9633 9.9633 10.2533 10.2533 k = 0.1282 0.5000 0.1282 ( 6688 PWs) bands (ev): -33.1800 -33.1800 -33.1792 -33.1792 -33.1712 -33.1712 -33.1709 -33.1709 -15.0178 -15.0178 -14.9028 -14.9028 -14.6289 -14.6289 -14.6006 -14.6006 -14.4183 -14.4183 -14.3986 -14.3986 -14.2907 -14.2907 -14.2548 -14.2548 -14.2262 -14.2262 -14.2226 -14.2226 -14.1915 -14.1915 -14.1886 -14.1886 -11.3186 -11.3186 -11.1119 -11.1119 -2.0996 -2.0996 -1.9316 -1.9316 -1.9250 -1.9250 -1.5117 -1.5117 -1.4927 -1.4927 -1.3689 -1.3689 2.7230 2.7230 2.7992 2.7992 4.0226 4.0226 4.2320 4.2320 4.2550 4.2550 4.2849 4.2849 4.4195 4.4195 4.5566 4.5566 5.1474 5.1474 5.5055 5.5055 5.6198 5.6198 5.8224 5.8224 8.6109 8.6109 8.9839 8.9839 9.1784 9.1784 9.5928 9.5928 9.9350 9.9350 10.0206 10.0206 10.1708 10.1708 k = 0.1154 0.5000 0.1154 ( 6692 PWs) bands (ev): -33.1801 -33.1801 -33.1794 -33.1794 -33.1711 -33.1711 -33.1708 -33.1708 -15.0075 -15.0075 -14.9131 -14.9131 -14.6275 -14.6275 -14.6015 -14.6015 -14.4180 -14.4180 -14.3996 -14.3996 -14.2897 -14.2897 -14.2565 -14.2565 -14.2257 -14.2257 -14.2223 -14.2223 -14.1918 -14.1918 -14.1889 -14.1889 -11.2997 -11.2997 -11.1306 -11.1306 -2.0814 -2.0814 -1.9253 -1.9253 -1.9070 -1.9070 -1.5414 -1.5414 -1.4973 -1.4973 -1.3875 -1.3875 2.7359 2.7359 2.7958 2.7958 4.0370 4.0370 4.2365 4.2365 4.2513 4.2513 4.2944 4.2944 4.3942 4.3942 4.5288 4.5288 5.1723 5.1723 5.4769 5.4769 5.6362 5.6362 5.8088 5.8088 8.6601 8.6601 8.9969 8.9969 9.2219 9.2219 9.6192 9.6192 9.9382 9.9382 10.0781 10.0781 10.0876 10.0876 k = 0.1026 0.5000 0.1026 ( 6678 PWs) bands (ev): -33.1801 -33.1801 -33.1796 -33.1796 -33.1710 -33.1710 -33.1708 -33.1708 -14.9979 -14.9979 -14.9224 -14.9224 -14.6260 -14.6260 -14.6025 -14.6025 -14.4176 -14.4176 -14.4007 -14.4007 -14.2886 -14.2886 -14.2583 -14.2583 -14.2251 -14.2251 -14.2220 -14.2220 -14.1919 -14.1919 -14.1893 -14.1893 -11.2825 -11.2825 -11.1477 -11.1477 -2.0617 -2.0617 -1.9194 -1.9194 -1.8887 -1.8887 -1.5722 -1.5722 -1.5014 -1.5014 -1.4066 -1.4066 2.7480 2.7480 2.7938 2.7938 4.0542 4.0542 4.2339 4.2339 4.2546 4.2546 4.3032 4.3032 4.3714 4.3714 4.5019 4.5019 5.1961 5.1961 5.4479 5.4479 5.6513 5.6513 5.7942 5.7942 8.7108 8.7108 9.0073 9.0073 9.2657 9.2657 9.6438 9.6438 9.9325 9.9325 10.0053 10.0053 10.1351 10.1351 k = 0.0897 0.5000 0.0897 ( 6682 PWs) bands (ev): -33.1801 -33.1801 -33.1797 -33.1797 -33.1709 -33.1709 -33.1707 -33.1707 -14.9894 -14.9894 -14.9308 -14.9308 -14.6245 -14.6245 -14.6035 -14.6035 -14.4171 -14.4171 -14.4018 -14.4018 -14.2873 -14.2873 -14.2602 -14.2602 -14.2245 -14.2245 -14.2218 -14.2218 -14.1921 -14.1921 -14.1896 -14.1896 -11.2672 -11.2672 -11.1631 -11.1631 -2.0405 -2.0405 -1.9142 -1.9142 -1.8705 -1.8705 -1.6036 -1.6036 -1.5050 -1.5050 -1.4260 -1.4260 2.7589 2.7589 2.7930 2.7930 4.0739 4.0739 4.2287 4.2287 4.2605 4.2605 4.3114 4.3114 4.3511 4.3511 4.4759 4.4759 5.2183 5.2183 5.4193 5.4193 5.6650 5.6650 5.7791 5.7791 8.7625 8.7625 9.0154 9.0154 9.3098 9.3098 9.6664 9.6664 9.9188 9.9188 9.9251 9.9251 10.1905 10.1905 k = 0.0769 0.5000 0.0769 ( 6682 PWs) bands (ev): -33.1802 -33.1802 -33.1799 -33.1799 -33.1708 -33.1708 -33.1706 -33.1706 -14.9818 -14.9818 -14.9382 -14.9382 -14.6229 -14.6229 -14.6047 -14.6047 -14.4164 -14.4164 -14.4030 -14.4030 -14.2858 -14.2858 -14.2622 -14.2622 -14.2240 -14.2240 -14.2216 -14.2216 -14.1921 -14.1921 -14.1899 -14.1899 -11.2537 -11.2537 -11.1767 -11.1767 -2.0181 -2.0181 -1.9095 -1.9095 -1.8525 -1.8525 -1.6353 -1.6353 -1.5081 -1.5081 -1.4450 -1.4450 2.7687 2.7687 2.7930 2.7930 4.0956 4.0956 4.2236 4.2236 4.2662 4.2662 4.3188 4.3188 4.3333 4.3333 4.4507 4.4507 5.2386 5.2386 5.3921 5.3921 5.6771 5.6771 5.7642 5.7642 8.8146 8.8146 9.0217 9.0217 9.3540 9.3540 9.6868 9.6868 9.8480 9.8480 9.8984 9.8984 10.2432 10.2432 k = 0.0641 0.5000 0.0641 ( 6684 PWs) bands (ev): -33.1802 -33.1802 -33.1800 -33.1800 -33.1707 -33.1707 -33.1706 -33.1706 -14.9753 -14.9753 -14.9445 -14.9445 -14.6213 -14.6213 -14.6059 -14.6059 -14.4156 -14.4156 -14.4043 -14.4043 -14.2842 -14.2842 -14.2643 -14.2643 -14.2234 -14.2234 -14.2214 -14.2214 -14.1921 -14.1921 -14.1902 -14.1902 -11.2422 -11.2422 -11.1884 -11.1884 -1.9946 -1.9946 -1.9055 -1.9055 -1.8353 -1.8353 -1.6670 -1.6670 -1.5109 -1.5109 -1.4633 -1.4633 2.7771 2.7771 2.7935 2.7935 4.1188 4.1188 4.2190 4.2190 4.2714 4.2714 4.3182 4.3182 4.3253 4.3253 4.4263 4.4263 5.2568 5.2568 5.3671 5.3671 5.6875 5.6875 5.7501 5.7501 8.8661 8.8661 9.0264 9.0264 9.3978 9.3978 9.7045 9.7045 9.7751 9.7751 9.8726 9.8726 10.2919 10.2919 k = 0.0513 0.5000 0.0513 ( 6684 PWs) bands (ev): -33.1802 -33.1802 -33.1801 -33.1801 -33.1706 -33.1706 -33.1705 -33.1705 -14.9698 -14.9698 -14.9497 -14.9497 -14.6197 -14.6197 -14.6072 -14.6072 -14.4148 -14.4148 -14.4055 -14.4055 -14.2825 -14.2825 -14.2663 -14.2663 -14.2230 -14.2230 -14.2213 -14.2213 -14.1920 -14.1920 -14.1904 -14.1904 -11.2327 -11.2327 -11.1981 -11.1981 -1.9703 -1.9703 -1.9022 -1.9022 -1.8194 -1.8194 -1.6981 -1.6981 -1.5131 -1.5131 -1.4803 -1.4803 2.7840 2.7840 2.7943 2.7943 4.1425 4.1425 4.2151 4.2151 4.2757 4.2757 4.3058 4.3058 4.3307 4.3307 4.4028 4.4028 5.2724 5.2724 5.3451 5.3451 5.6961 5.6961 5.7374 5.7374 8.9158 8.9158 9.0299 9.0299 9.4408 9.4408 9.7079 9.7079 9.7195 9.7195 9.8429 9.8429 10.3352 10.3353 k = 0.0385 0.5000 0.0385 ( 6688 PWs) bands (ev): -33.1802 -33.1802 -33.1802 -33.1802 -33.1705 -33.1705 -33.1705 -33.1705 -14.9656 -14.9656 -14.9538 -14.9538 -14.6181 -14.6181 -14.6086 -14.6086 -14.4138 -14.4138 -14.4068 -14.4068 -14.2807 -14.2807 -14.2685 -14.2685 -14.2225 -14.2225 -14.2213 -14.2213 -14.1919 -14.1919 -14.1907 -14.1907 -11.2253 -11.2253 -11.2058 -11.2058 -1.9459 -1.9459 -1.8996 -1.8996 -1.8055 -1.8055 -1.7280 -1.7280 -1.5148 -1.5148 -1.4950 -1.4950 2.7894 2.7894 2.7951 2.7951 4.1657 4.1657 4.2121 4.2121 4.2791 4.2791 4.2961 4.2961 4.3351 4.3351 4.3807 4.3807 5.2851 5.2851 5.3269 5.3269 5.7029 5.7029 5.7267 5.7267 8.9613 8.9613 9.0324 9.0324 9.4818 9.4818 9.6487 9.6487 9.7314 9.7314 9.8114 9.8114 10.3716 10.3718 k = 0.0256 0.5000 0.0256 ( 6680 PWs) bands (ev): -33.1802 -33.1802 -33.1802 -33.1802 -33.1705 -33.1705 -33.1705 -33.1705 -14.9625 -14.9625 -14.9567 -14.9567 -14.6164 -14.6164 -14.6101 -14.6101 -14.4128 -14.4128 -14.4080 -14.4080 -14.2788 -14.2788 -14.2705 -14.2705 -14.2222 -14.2222 -14.2213 -14.2213 -14.1918 -14.1918 -14.1910 -14.1910 -11.2200 -11.2200 -11.2113 -11.2113 -1.9228 -1.9228 -1.8977 -1.8977 -1.7945 -1.7945 -1.7551 -1.7551 -1.5161 -1.5161 -1.5066 -1.5066 2.7933 2.7933 2.7959 2.7959 4.1866 4.1866 4.2099 4.2099 4.2815 4.2815 4.2891 4.2891 4.3383 4.3383 4.3611 4.3611 5.2944 5.2944 5.3134 5.3134 5.7078 5.7078 5.7186 5.7186 8.9995 8.9995 9.0340 9.0340 9.5185 9.5185 9.6008 9.6008 9.7400 9.7400 9.7810 9.7810 10.3992 10.3995 k = 0.0128 0.5000 0.0128 ( 6688 PWs) bands (ev): -33.1803 -33.1803 -33.1803 -33.1803 -33.1704 -33.1704 -33.1704 -33.1704 -14.9606 -14.9606 -14.9586 -14.9586 -14.6148 -14.6148 -14.6116 -14.6116 -14.4117 -14.4117 -14.4093 -14.4093 -14.2768 -14.2768 -14.2727 -14.2727 -14.2219 -14.2219 -14.2215 -14.2215 -14.1916 -14.1916 -14.1912 -14.1912 -11.2168 -11.2168 -11.2146 -11.2146 -1.9041 -1.9041 -1.8966 -1.8966 -1.7874 -1.7874 -1.7762 -1.7762 -1.5169 -1.5169 -1.5142 -1.5142 2.7957 2.7957 2.7964 2.7964 4.2021 4.2021 4.2086 4.2086 4.2830 4.2830 4.2849 4.2849 4.3403 4.3403 4.3466 4.3466 5.3002 5.3002 5.3050 5.3050 5.7108 5.7108 5.7135 5.7135 9.0258 9.0258 9.0349 9.0349 9.5463 9.5463 9.5687 9.5687 9.7452 9.7452 9.7568 9.7568 10.4167 10.4210 k = 0.0000 0.5000-0.0000 ( 6696 PWs) bands (ev): -33.1803 -33.1803 -33.1803 -33.1803 -33.1704 -33.1704 -33.1704 -33.1704 -14.9595 -14.9595 -14.9595 -14.9595 -14.6132 -14.6132 -14.6132 -14.6132 -14.4105 -14.4105 -14.4105 -14.4105 -14.2747 -14.2747 -14.2747 -14.2747 -14.2216 -14.2216 -14.2216 -14.2216 -14.1915 -14.1915 -14.1915 -14.1915 -11.2157 -11.2157 -11.2157 -11.2157 -1.8962 -1.8962 -1.8962 -1.8962 -1.7849 -1.7849 -1.7849 -1.7849 -1.5169 -1.5169 -1.5169 -1.5169 2.7965 2.7965 2.7965 2.7965 4.2081 4.2081 4.2081 4.2081 4.2835 4.2835 4.2835 4.2835 4.3409 4.3409 4.3409 4.3409 5.3022 5.3022 5.3022 5.3022 5.7118 5.7118 5.7118 5.7118 9.0352 9.0352 9.0352 9.0352 9.5573 9.5573 9.5573 9.5573 9.7470 9.7470 9.7470 9.7470 10.4223 10.4223 k = 0.5000 0.5000-0.0000 ( 6728 PWs) bands (ev): -33.1772 -33.1772 -33.1772 -33.1772 -33.1735 -33.1735 -33.1735 -33.1735 -14.9650 -14.9650 -14.9650 -14.9650 -14.6170 -14.6170 -14.6170 -14.6170 -14.4105 -14.4105 -14.4105 -14.4105 -14.2631 -14.2631 -14.2631 -14.2631 -14.2322 -14.2322 -14.2322 -14.2322 -14.1877 -14.1877 -14.1877 -14.1877 -11.2101 -11.2101 -11.2101 -11.2101 -2.2669 -2.2669 -2.2669 -2.2669 -1.6463 -1.6463 -1.6463 -1.6463 -1.1542 -1.1542 -1.1542 -1.1542 2.6482 2.6482 2.6482 2.6482 3.9077 3.9077 3.9077 3.9077 4.3838 4.3838 4.3838 4.3838 4.5737 4.5737 4.5737 4.5737 5.5226 5.5226 5.5226 5.5226 5.7953 5.7953 5.7953 5.7953 8.0546 8.0546 8.0546 8.0546 9.6134 9.6134 9.6134 9.6134 10.2838 10.2838 10.2838 10.2838 10.4662 10.4662 k = 0.5000 0.5000 0.0179 ( 6696 PWs) bands (ev): -33.1774 -33.1774 -33.1770 -33.1770 -33.1735 -33.1735 -33.1735 -33.1735 -14.9855 -14.9855 -14.9443 -14.9443 -14.6185 -14.6185 -14.6153 -14.6153 -14.4107 -14.4107 -14.4101 -14.4101 -14.2641 -14.2641 -14.2620 -14.2620 -14.2327 -14.2327 -14.2316 -14.2316 -14.1876 -14.1876 -14.1876 -14.1876 -11.2479 -11.2479 -11.1725 -11.1725 -2.2665 -2.2665 -2.2665 -2.2665 -1.6680 -1.6680 -1.6251 -1.6251 -1.1550 -1.1550 -1.1544 -1.1544 2.6281 2.6281 2.6714 2.6714 3.9088 3.9088 3.9093 3.9093 4.3508 4.3508 4.4183 4.4183 4.5350 4.5350 4.6133 4.6133 5.5136 5.5136 5.5285 5.5285 5.7936 5.7936 5.7939 5.7939 8.0548 8.0548 8.0551 8.0551 9.6090 9.6090 9.6098 9.6098 10.1859 10.1859 10.3781 10.3781 10.3811 10.3811 k = 0.5000 0.5000 0.0357 ( 6680 PWs) bands (ev): -33.1776 -33.1776 -33.1768 -33.1768 -33.1734 -33.1734 -33.1734 -33.1734 -15.0058 -15.0058 -14.9237 -14.9237 -14.6201 -14.6201 -14.6138 -14.6138 -14.4107 -14.4107 -14.4096 -14.4096 -14.2651 -14.2651 -14.2610 -14.2610 -14.2331 -14.2331 -14.2310 -14.2310 -14.1874 -14.1874 -14.1874 -14.1874 -11.2859 -11.2859 -11.1354 -11.1354 -2.2654 -2.2654 -2.2652 -2.2652 -1.6902 -1.6902 -1.6046 -1.6046 -1.1570 -1.1570 -1.1558 -1.1558 2.6109 2.6109 2.6975 2.6975 3.9126 3.9126 3.9135 3.9135 4.3192 4.3192 4.4541 4.4541 4.4970 4.4970 4.6534 4.6534 5.5016 5.5016 5.5314 5.5314 5.7888 5.7888 5.7892 5.7892 8.0555 8.0555 8.0562 8.0562 9.5970 9.5970 9.5985 9.5985 10.0851 10.0851 10.2961 10.2961 10.4694 10.4694 k = 0.5000 0.5000 0.0536 ( 6680 PWs) bands (ev): -33.1778 -33.1778 -33.1766 -33.1766 -33.1734 -33.1734 -33.1734 -33.1734 -15.0258 -15.0258 -14.9031 -14.9031 -14.6218 -14.6218 -14.6122 -14.6122 -14.4106 -14.4106 -14.4091 -14.4091 -14.2660 -14.2660 -14.2600 -14.2600 -14.2335 -14.2335 -14.2304 -14.2304 -14.1872 -14.1872 -14.1871 -14.1871 -11.3241 -11.3241 -11.0987 -11.0987 -2.2635 -2.2635 -2.2632 -2.2632 -1.7129 -1.7129 -1.5848 -1.5848 -1.1601 -1.1601 -1.1582 -1.1582 2.5967 2.5967 2.7265 2.7265 3.9190 3.9190 3.9204 3.9204 4.2892 4.2892 4.4598 4.4598 4.4915 4.4915 4.6941 4.6941 5.4865 5.4865 5.5315 5.5315 5.7808 5.7808 5.7815 5.7815 8.0569 8.0569 8.0578 8.0578 9.5778 9.5778 9.5800 9.5800 9.9818 9.9818 10.2124 10.2124 10.5565 10.5565 k = 0.5000 0.5000 0.0714 ( 6672 PWs) bands (ev): -33.1780 -33.1780 -33.1764 -33.1764 -33.1734 -33.1734 -33.1734 -33.1734 -15.0455 -15.0455 -14.8826 -14.8826 -14.6234 -14.6234 -14.6107 -14.6107 -14.4102 -14.4102 -14.4084 -14.4084 -14.2669 -14.2669 -14.2590 -14.2590 -14.2338 -14.2338 -14.2296 -14.2296 -14.1869 -14.1869 -14.1868 -14.1868 -11.3622 -11.3622 -11.0627 -11.0627 -2.2608 -2.2608 -2.2604 -2.2604 -1.7359 -1.7359 -1.5658 -1.5658 -1.1643 -1.1643 -1.1618 -1.1618 2.5852 2.5852 2.7586 2.7586 3.9281 3.9281 3.9299 3.9299 4.2607 4.2607 4.4237 4.4237 4.5302 4.5302 4.7352 4.7352 5.4683 5.4683 5.5288 5.5288 5.7698 5.7698 5.7707 5.7707 8.0586 8.0586 8.0598 8.0598 9.5523 9.5523 9.5552 9.5552 9.8765 9.8765 10.1298 10.1298 10.6391 10.6391 k = 0.5000 0.5000 0.0893 ( 6676 PWs) bands (ev): -33.1782 -33.1782 -33.1762 -33.1762 -33.1734 -33.1734 -33.1734 -33.1734 -15.0647 -15.0647 -14.8625 -14.8625 -14.6251 -14.6251 -14.6092 -14.6092 -14.4096 -14.4096 -14.4078 -14.4078 -14.2676 -14.2676 -14.2581 -14.2581 -14.2342 -14.2342 -14.2288 -14.2288 -14.1865 -14.1865 -14.1864 -14.1864 -11.4003 -11.4003 -11.0273 -11.0273 -2.2573 -2.2573 -2.2569 -2.2569 -1.7591 -1.7591 -1.5476 -1.5476 -1.1695 -1.1695 -1.1664 -1.1664 2.5766 2.5766 2.7935 2.7935 3.9397 3.9397 3.9419 3.9419 4.2336 4.2336 4.3885 4.3885 4.5701 4.5701 4.7766 4.7766 5.4470 5.4470 5.5234 5.5234 5.7559 5.7559 5.7570 5.7570 8.0607 8.0607 8.0621 8.0621 9.5216 9.5216 9.5249 9.5249 9.7696 9.7696 10.0485 10.0485 10.6869 10.6912 k = 0.5000 0.5000 0.1071 ( 6676 PWs) bands (ev): -33.1784 -33.1784 -33.1760 -33.1760 -33.1734 -33.1734 -33.1734 -33.1734 -15.0835 -15.0835 -14.8428 -14.8428 -14.6268 -14.6268 -14.6077 -14.6077 -14.4086 -14.4086 -14.4070 -14.4070 -14.2682 -14.2682 -14.2573 -14.2573 -14.2344 -14.2344 -14.2279 -14.2279 -14.1861 -14.1861 -14.1859 -14.1859 -11.4381 -11.4381 -10.9927 -10.9927 -2.2532 -2.2532 -2.2527 -2.2527 -1.7825 -1.7825 -1.5302 -1.5302 -1.1757 -1.1757 -1.1720 -1.1720 2.5706 2.5706 2.8312 2.8312 3.9537 3.9537 3.9564 3.9564 4.2080 4.2080 4.3545 4.3545 4.6113 4.6113 4.8182 4.8182 5.4227 5.4227 5.5155 5.5155 5.7391 5.7391 5.7404 5.7404 8.0629 8.0629 8.0645 8.0645 9.4867 9.4867 9.4904 9.4904 9.6615 9.6615 9.9686 9.9686 10.7032 10.7033 k = 0.5000 0.5000 0.1250 ( 6668 PWs) bands (ev): -33.1786 -33.1786 -33.1758 -33.1758 -33.1734 -33.1734 -33.1734 -33.1734 -15.1018 -15.1018 -14.8235 -14.8235 -14.6284 -14.6284 -14.6062 -14.6062 -14.4074 -14.4074 -14.4063 -14.4063 -14.2687 -14.2687 -14.2565 -14.2565 -14.2347 -14.2347 -14.2269 -14.2269 -14.1855 -14.1855 -14.1853 -14.1853 -11.4756 -11.4756 -10.9589 -10.9589 -2.2483 -2.2483 -2.2477 -2.2477 -1.8059 -1.8059 -1.5137 -1.5137 -1.1829 -1.1829 -1.1785 -1.1785 2.5672 2.5672 2.8717 2.8717 3.9703 3.9703 3.9734 3.9734 4.1840 4.1840 4.3215 4.3215 4.6536 4.6536 4.8599 4.8599 5.3954 5.3954 5.5052 5.5052 5.7198 5.7198 5.7213 5.7213 8.0650 8.0650 8.0668 8.0668 9.4488 9.4488 9.4527 9.4527 9.5529 9.5529 9.8902 9.8902 10.7218 10.7220 k = 0.5000 0.5000 0.1429 ( 6664 PWs) bands (ev): -33.1788 -33.1788 -33.1756 -33.1756 -33.1734 -33.1734 -33.1734 -33.1734 -15.1195 -15.1195 -14.8050 -14.8050 -14.6301 -14.6301 -14.6047 -14.6047 -14.4058 -14.4058 -14.4055 -14.4055 -14.2690 -14.2690 -14.2559 -14.2559 -14.2349 -14.2349 -14.2259 -14.2259 -14.1849 -14.1849 -14.1847 -14.1847 -11.5126 -11.5126 -10.9261 -10.9261 -2.2428 -2.2428 -2.2422 -2.2422 -1.8292 -1.8292 -1.4981 -1.4981 -1.1909 -1.1909 -1.1859 -1.1859 2.5662 2.5662 2.9149 2.9149 3.9891 3.9891 3.9927 3.9927 4.1613 4.1613 4.2898 4.2898 4.6970 4.6970 4.9015 4.9015 5.3653 5.3653 5.4928 5.4928 5.6980 5.6980 5.6996 5.6996 8.0668 8.0668 8.0688 8.0688 9.4088 9.4088 9.4128 9.4128 9.4440 9.4440 9.8136 9.8136 10.7423 10.7426 k = 0.5000 0.5000 0.1607 ( 6688 PWs) bands (ev): -33.1790 -33.1790 -33.1754 -33.1754 -33.1734 -33.1734 -33.1734 -33.1734 -15.1366 -15.1366 -14.7872 -14.7872 -14.6317 -14.6317 -14.6032 -14.6032 -14.4048 -14.4048 -14.4039 -14.4039 -14.2691 -14.2691 -14.2553 -14.2553 -14.2351 -14.2351 -14.2248 -14.2248 -14.1843 -14.1843 -14.1841 -14.1841 -11.5491 -11.5491 -10.8943 -10.8943 -2.2367 -2.2367 -2.2360 -2.2360 -1.8524 -1.8524 -1.4833 -1.4833 -1.1997 -1.1997 -1.1942 -1.1942 2.5674 2.5674 2.9605 2.9605 4.0102 4.0102 4.0142 4.0142 4.1401 4.1401 4.2593 4.2593 4.7412 4.7412 4.9430 4.9430 5.3323 5.3323 5.4784 5.4784 5.6738 5.6738 5.6756 5.6756 8.0681 8.0681 8.0702 8.0702 9.3353 9.3353 9.3676 9.3676 9.3717 9.3717 9.7388 9.7388 10.7650 10.7654 k = 0.5000 0.5000 0.1786 ( 6688 PWs) bands (ev): -33.1792 -33.1792 -33.1752 -33.1752 -33.1734 -33.1734 -33.1734 -33.1734 -15.1530 -15.1530 -14.7703 -14.7703 -14.6334 -14.6334 -14.6017 -14.6017 -14.4040 -14.4040 -14.4016 -14.4016 -14.2689 -14.2689 -14.2549 -14.2549 -14.2352 -14.2352 -14.2236 -14.2236 -14.1836 -14.1836 -14.1834 -14.1834 -11.5849 -11.5849 -10.8636 -10.8636 -2.2301 -2.2301 -2.2293 -2.2293 -1.8753 -1.8753 -1.4694 -1.4694 -1.2091 -1.2091 -1.2031 -1.2031 2.5707 2.5707 3.0086 3.0086 4.0334 4.0334 4.0378 4.0378 4.1204 4.1204 4.2301 4.2301 4.7862 4.7862 4.9841 4.9841 5.2966 5.2966 5.4624 5.4624 5.6476 5.6476 5.6496 5.6496 8.0688 8.0688 8.0709 8.0709 9.2273 9.2273 9.3261 9.3261 9.3301 9.3301 9.6661 9.6661 10.7899 10.7901 k = 0.5000 0.5000 0.1964 ( 6692 PWs) bands (ev): -33.1794 -33.1794 -33.1750 -33.1750 -33.1734 -33.1734 -33.1734 -33.1734 -15.1687 -15.1687 -14.7545 -14.7545 -14.6350 -14.6350 -14.6001 -14.6001 -14.4033 -14.4033 -14.3989 -14.3989 -14.2686 -14.2686 -14.2545 -14.2545 -14.2351 -14.2351 -14.2224 -14.2224 -14.1829 -14.1829 -14.1827 -14.1827 -11.6199 -11.6199 -10.8340 -10.8340 -2.2229 -2.2229 -2.2221 -2.2221 -1.8977 -1.8977 -1.4564 -1.4564 -1.2192 -1.2192 -1.2126 -1.2126 2.5759 2.5759 3.0589 3.0589 4.0585 4.0585 4.0634 4.0634 4.1020 4.1020 4.2022 4.2022 4.8317 4.8317 5.0247 5.0247 5.2582 5.2582 5.4449 5.4449 5.6195 5.6195 5.6216 5.6216 8.0687 8.0687 8.0708 8.0708 9.1205 9.1205 9.2850 9.2850 9.2889 9.2889 9.5957 9.5957 10.8170 10.8172 k = 0.5000 0.5000 0.2143 ( 6684 PWs) bands (ev): -33.1795 -33.1795 -33.1749 -33.1749 -33.1734 -33.1734 -33.1734 -33.1734 -15.1837 -15.1837 -14.7398 -14.7398 -14.6365 -14.6365 -14.5985 -14.5985 -14.4025 -14.4025 -14.3958 -14.3958 -14.2679 -14.2679 -14.2542 -14.2542 -14.2350 -14.2350 -14.2211 -14.2211 -14.1821 -14.1821 -14.1819 -14.1819 -11.6539 -11.6539 -10.8057 -10.8057 -2.2153 -2.2153 -2.2145 -2.2145 -1.9196 -1.9196 -1.4443 -1.4443 -1.2299 -1.2299 -1.2227 -1.2227 2.5829 2.5829 3.1113 3.1113 4.0821 4.0821 4.0883 4.0883 4.0908 4.0908 4.1758 4.1758 4.8776 4.8776 5.0646 5.0646 5.2175 5.2175 5.4263 5.4263 5.5897 5.5897 5.5918 5.5918 8.0675 8.0675 8.0696 8.0696 9.0154 9.0154 9.2449 9.2449 9.2487 9.2487 9.5276 9.5276 10.8463 10.8472 k = 0.5000 0.5000 0.2321 ( 6680 PWs) bands (ev): -33.1797 -33.1797 -33.1747 -33.1747 -33.1734 -33.1734 -33.1734 -33.1734 -15.1980 -15.1980 -14.7263 -14.7263 -14.6380 -14.6380 -14.5969 -14.5969 -14.4018 -14.4018 -14.3925 -14.3925 -14.2671 -14.2671 -14.2539 -14.2539 -14.2347 -14.2347 -14.2199 -14.2199 -14.1813 -14.1813 -14.1811 -14.1811 -11.6869 -11.6869 -10.7787 -10.7787 -2.2074 -2.2074 -2.2065 -2.2065 -1.9408 -1.9408 -1.4330 -1.4330 -1.2409 -1.2409 -1.2332 -1.2332 2.5913 2.5913 3.1656 3.1656 4.0687 4.0687 4.1147 4.1147 4.1199 4.1199 4.1507 4.1507 4.9234 4.9234 5.1036 5.1036 5.1744 5.1744 5.4070 5.4070 5.5584 5.5584 5.5606 5.5606 8.0653 8.0653 8.0673 8.0673 8.9123 8.9123 9.2064 9.2064 9.2100 9.2100 9.4621 9.4621 10.8780 10.8787 k = 0.5000 0.5000 0.2500 ( 6696 PWs) bands (ev): -33.1798 -33.1798 -33.1745 -33.1745 -33.1734 -33.1734 -33.1734 -33.1734 -15.2114 -15.2114 -14.7141 -14.7141 -14.6395 -14.6395 -14.5953 -14.5953 -14.4012 -14.4012 -14.3889 -14.3889 -14.2660 -14.2660 -14.2538 -14.2538 -14.2343 -14.2343 -14.2186 -14.2186 -14.1805 -14.1805 -14.1804 -14.1804 -11.7186 -11.7186 -10.7532 -10.7532 -2.1992 -2.1992 -2.1983 -2.1983 -1.9613 -1.9613 -1.4226 -1.4226 -1.2521 -1.2521 -1.2440 -1.2440 2.6009 2.6009 3.2215 3.2215 4.0543 4.0543 4.1271 4.1271 4.1447 4.1447 4.1505 4.1505 4.9689 4.9689 5.1291 5.1291 5.1416 5.1416 5.3873 5.3873 5.5258 5.5258 5.5281 5.5281 8.0619 8.0619 8.0639 8.0639 8.8117 8.8117 9.1698 9.1698 9.1731 9.1731 9.3994 9.3994 10.9121 10.9131 k = 0.5000 0.5000 0.2679 ( 6688 PWs) bands (ev): -33.1800 -33.1800 -33.1744 -33.1744 -33.1734 -33.1734 -33.1734 -33.1734 -15.2240 -15.2240 -14.7031 -14.7031 -14.6409 -14.6409 -14.5936 -14.5936 -14.4005 -14.4005 -14.3851 -14.3851 -14.2647 -14.2647 -14.2536 -14.2536 -14.2336 -14.2336 -14.2174 -14.2174 -14.1798 -14.1798 -14.1796 -14.1796 -11.7490 -11.7490 -10.7290 -10.7290 -2.1908 -2.1908 -2.1899 -2.1899 -1.9809 -1.9809 -1.4131 -1.4131 -1.2636 -1.2636 -1.2549 -1.2549 2.6116 2.6116 3.2790 3.2790 4.0410 4.0410 4.1050 4.1050 4.1762 4.1762 4.1823 4.1823 5.0135 5.0135 5.0819 5.0819 5.1783 5.1783 5.3679 5.3679 5.4923 5.4923 5.4946 5.4946 8.0575 8.0575 8.0593 8.0593 8.7142 8.7142 9.1355 9.1355 9.1386 9.1386 9.3397 9.3397 10.9487 10.9490 k = 0.5000 0.5000 0.2857 ( 6684 PWs) bands (ev): -33.1801 -33.1801 -33.1743 -33.1743 -33.1734 -33.1734 -33.1734 -33.1734 -15.2358 -15.2358 -14.6935 -14.6935 -14.6422 -14.6422 -14.5919 -14.5919 -14.3999 -14.3999 -14.3812 -14.3812 -14.2632 -14.2632 -14.2535 -14.2535 -14.2326 -14.2326 -14.2162 -14.2162 -14.1790 -14.1790 -14.1789 -14.1789 -11.7778 -11.7778 -10.7064 -10.7064 -2.1823 -2.1823 -2.1815 -2.1815 -1.9996 -1.9996 -1.4043 -1.4043 -1.2750 -1.2750 -1.2658 -1.2658 2.6230 2.6230 3.3376 3.3376 4.0289 4.0289 4.0844 4.0844 4.2087 4.2087 4.2152 4.2152 5.0329 5.0329 5.0564 5.0564 5.2136 5.2136 5.3495 5.3495 5.4579 5.4579 5.4602 5.4602 8.0520 8.0520 8.0537 8.0537 8.6202 8.6202 9.1037 9.1037 9.1065 9.1065 9.2832 9.2832 10.9876 10.9885 k = 0.5000 0.5000 0.3036 ( 6700 PWs) bands (ev): -33.1802 -33.1802 -33.1741 -33.1741 -33.1734 -33.1734 -33.1734 -33.1734 -15.2467 -15.2467 -14.6852 -14.6852 -14.6435 -14.6435 -14.5903 -14.5903 -14.3993 -14.3993 -14.3774 -14.3774 -14.2616 -14.2616 -14.2535 -14.2535 -14.2312 -14.2312 -14.2151 -14.2151 -14.1783 -14.1783 -14.1782 -14.1782 -11.8051 -11.8051 -10.6854 -10.6854 -2.1739 -2.1739 -2.1730 -2.1730 -2.0171 -2.0171 -1.3964 -1.3964 -1.2864 -1.2864 -1.2767 -1.2767 2.6348 2.6348 3.3971 3.3971 4.0180 4.0180 4.0654 4.0654 4.2419 4.2419 4.2488 4.2488 4.9824 4.9824 5.0966 5.0966 5.2471 5.2471 5.3331 5.3331 5.4230 5.4230 5.4253 5.4253 8.0457 8.0457 8.0471 8.0471 8.5303 8.5303 9.0746 9.0746 9.0771 9.0771 9.2301 9.2301 11.0287 11.0292 k = 0.5000 0.5000 0.3214 ( 6700 PWs) bands (ev): -33.1804 -33.1804 -33.1740 -33.1740 -33.1734 -33.1734 -33.1734 -33.1734 -15.2568 -15.2568 -14.6780 -14.6780 -14.6447 -14.6447 -14.5887 -14.5887 -14.3988 -14.3988 -14.3737 -14.3737 -14.2601 -14.2601 -14.2534 -14.2534 -14.2295 -14.2295 -14.2140 -14.2140 -14.1775 -14.1775 -14.1775 -14.1775 -11.8306 -11.8306 -10.6659 -10.6659 -2.1656 -2.1656 -2.1648 -2.1648 -2.0335 -2.0335 -1.3893 -1.3893 -1.2974 -1.2974 -1.2873 -1.2873 2.6469 2.6469 3.4573 3.4573 4.0081 4.0081 4.0479 4.0479 4.2757 4.2757 4.2829 4.2829 4.9307 4.9307 5.1321 5.1321 5.2788 5.2788 5.3206 5.3206 5.3879 5.3879 5.3902 5.3902 8.0386 8.0386 8.0399 8.0399 8.4450 8.4450 9.0483 9.0483 9.0505 9.0505 9.1806 9.1806 11.0720 11.0724 k = 0.5000 0.5000 0.3393 ( 6696 PWs) bands (ev): -33.1805 -33.1805 -33.1739 -33.1739 -33.1734 -33.1734 -33.1734 -33.1734 -15.2659 -15.2659 -14.6719 -14.6719 -14.6458 -14.6458 -14.5871 -14.5871 -14.3983 -14.3983 -14.3702 -14.3702 -14.2586 -14.2586 -14.2534 -14.2534 -14.2274 -14.2274 -14.2130 -14.2130 -14.1769 -14.1769 -14.1768 -14.1768 -11.8541 -11.8541 -10.6482 -10.6482 -2.1575 -2.1575 -2.1567 -2.1567 -2.0486 -2.0486 -1.3830 -1.3830 -1.3081 -1.3081 -1.2974 -1.2974 2.6590 2.6590 3.5176 3.5176 3.9994 3.9994 4.0320 4.0320 4.3096 4.3096 4.3172 4.3172 4.8781 4.8781 5.1597 5.1597 5.3084 5.3084 5.3152 5.3152 5.3529 5.3529 5.3551 5.3551 8.0310 8.0310 8.0321 8.0321 8.3649 8.3649 9.0248 9.0248 9.0267 9.0267 9.1350 9.1350 11.1156 11.1165 k = 0.5000 0.5000 0.3571 ( 6696 PWs) bands (ev): -33.1806 -33.1806 -33.1738 -33.1738 -33.1734 -33.1734 -33.1734 -33.1734 -15.2741 -15.2741 -14.6668 -14.6668 -14.6468 -14.6468 -14.5857 -14.5857 -14.3979 -14.3979 -14.3671 -14.3671 -14.2574 -14.2574 -14.2534 -14.2534 -14.2248 -14.2248 -14.2120 -14.2120 -14.1763 -14.1763 -14.1762 -14.1762 -11.8756 -11.8756 -10.6322 -10.6322 -2.1498 -2.1498 -2.1491 -2.1491 -2.0623 -2.0623 -1.3774 -1.3774 -1.3181 -1.3181 -1.3070 -1.3070 2.6707 2.6707 3.5777 3.5777 3.9916 3.9916 4.0178 4.0178 4.3431 4.3431 4.3511 4.3511 4.8252 4.8252 5.1757 5.1757 5.3185 5.3185 5.3200 5.3200 5.3207 5.3207 5.3356 5.3356 8.0232 8.0232 8.0241 8.0241 8.2907 8.2907 9.0040 9.0040 9.0057 9.0057 9.0934 9.0934 11.1617 11.1621 k = 0.5000 0.5000 0.3750 ( 6712 PWs) bands (ev): -33.1807 -33.1807 -33.1737 -33.1737 -33.1734 -33.1734 -33.1734 -33.1734 -15.2814 -15.2814 -14.6626 -14.6626 -14.6477 -14.6477 -14.5844 -14.5844 -14.3975 -14.3975 -14.3643 -14.3643 -14.2563 -14.2563 -14.2534 -14.2534 -14.2221 -14.2221 -14.2112 -14.2112 -14.1757 -14.1757 -14.1757 -14.1757 -11.8950 -11.8950 -10.6180 -10.6180 -2.1427 -2.1427 -2.1420 -2.1420 -2.0746 -2.0746 -1.3727 -1.3727 -1.3275 -1.3275 -1.3158 -1.3158 2.6817 2.6817 3.6369 3.6369 3.9849 3.9849 4.0051 4.0051 4.3758 4.3758 4.3842 4.3842 4.7723 4.7723 5.1799 5.1799 5.2850 5.2850 5.2870 5.2870 5.3356 5.3356 5.3602 5.3602 8.0155 8.0155 8.0162 8.0162 8.2229 8.2229 8.9860 8.9860 8.9874 8.9874 9.0561 9.0561 11.2084 11.2093 k = 0.5000 0.5000 0.3929 ( 6728 PWs) bands (ev): -33.1807 -33.1807 -33.1737 -33.1737 -33.1735 -33.1735 -33.1735 -33.1735 -15.2878 -15.2878 -14.6592 -14.6592 -14.6485 -14.6485 -14.5832 -14.5832 -14.3972 -14.3972 -14.3619 -14.3619 -14.2555 -14.2555 -14.2534 -14.2534 -14.2192 -14.2192 -14.2105 -14.2105 -14.1752 -14.1752 -14.1752 -14.1752 -11.9120 -11.9120 -10.6056 -10.6056 -2.1361 -2.1361 -2.1355 -2.1355 -2.0854 -2.0854 -1.3687 -1.3687 -1.3360 -1.3360 -1.3236 -1.3236 2.6920 2.6920 3.6943 3.6943 3.9791 3.9791 3.9942 3.9942 4.4071 4.4071 4.4158 4.4158 4.7204 4.7204 5.1763 5.1763 5.2532 5.2532 5.2551 5.2551 5.3572 5.3572 5.3820 5.3820 8.0081 8.0081 8.0086 8.0086 8.1623 8.1623 8.9707 8.9707 8.9718 8.9718 9.0232 9.0232 11.2560 11.2570 k = 0.5000 0.5000 0.4107 ( 6728 PWs) bands (ev): -33.1808 -33.1808 -33.1736 -33.1736 -33.1735 -33.1735 -33.1735 -33.1735 -15.2931 -15.2931 -14.6564 -14.6564 -14.6492 -14.6492 -14.5822 -14.5822 -14.3970 -14.3970 -14.3598 -14.3598 -14.2548 -14.2548 -14.2535 -14.2535 -14.2164 -14.2164 -14.2099 -14.2099 -14.1748 -14.1748 -14.1748 -14.1748 -11.9267 -11.9267 -10.5950 -10.5950 -2.1304 -2.1304 -2.1297 -2.1297 -2.0946 -2.0946 -1.3656 -1.3656 -1.3434 -1.3434 -1.3303 -1.3303 2.7011 2.7011 3.7491 3.7491 3.9743 3.9743 3.9849 3.9849 4.4361 4.4361 4.4453 4.4453 4.6705 4.6705 5.1692 5.1692 5.2237 5.2237 5.2254 5.2254 5.3804 5.3804 5.4009 5.4009 8.0012 8.0012 8.0017 8.0017 8.1096 8.1096 8.9579 8.9579 8.9588 8.9588 8.9951 8.9951 11.3036 11.3039 k = 0.5000 0.5000 0.4286 ( 6740 PWs) bands (ev): -33.1809 -33.1809 -33.1735 -33.1735 -33.1735 -33.1735 -33.1735 -33.1735 -15.2975 -15.2975 -14.6543 -14.6543 -14.6497 -14.6497 -14.5814 -14.5814 -14.3967 -14.3967 -14.3582 -14.3582 -14.2543 -14.2543 -14.2535 -14.2535 -14.2138 -14.2138 -14.2094 -14.2094 -14.1745 -14.1745 -14.1745 -14.1745 -11.9388 -11.9388 -10.5864 -10.5864 -2.1254 -2.1254 -2.1249 -2.1249 -2.1023 -2.1023 -1.3634 -1.3634 -1.3497 -1.3497 -1.3358 -1.3358 2.7089 2.7089 3.7996 3.7996 3.9704 3.9704 3.9772 3.9772 4.4620 4.4620 4.4717 4.4717 4.6240 4.6240 5.1615 5.1615 5.1974 5.1974 5.1988 5.1988 5.4019 5.4019 5.4166 5.4166 7.9953 7.9953 7.9956 7.9956 8.0653 8.0653 8.9475 8.9475 8.9483 8.9483 8.9718 8.9718 11.3502 11.3505 k = 0.5000 0.5000 0.4464 ( 6740 PWs) bands (ev): -33.1809 -33.1809 -33.1735 -33.1735 -33.1735 -33.1735 -33.1735 -33.1735 -15.3010 -15.3010 -14.6527 -14.6527 -14.6502 -14.6502 -14.5807 -14.5807 -14.3966 -14.3966 -14.3569 -14.3569 -14.2540 -14.2540 -14.2535 -14.2535 -14.2115 -14.2115 -14.2090 -14.2090 -14.1742 -14.1742 -14.1742 -14.1742 -11.9483 -11.9483 -10.5796 -10.5796 -2.1215 -2.1215 -2.1210 -2.1210 -2.1083 -2.1083 -1.3621 -1.3621 -1.3547 -1.3547 -1.3397 -1.3397 2.7151 2.7151 3.8438 3.8438 3.9674 3.9674 3.9713 3.9713 4.4838 4.4838 4.4940 4.4940 4.5831 4.5831 5.1545 5.1545 5.1753 5.1753 5.1765 5.1765 5.4201 5.4201 5.4289 5.4289 7.9904 7.9904 7.9907 7.9907 8.0301 8.0301 8.9396 8.9396 8.9403 8.9403 8.9535 8.9535 11.3958 11.3970 k = 0.5000 0.5000 0.4643 ( 6732 PWs) bands (ev): -33.1809 -33.1809 -33.1735 -33.1735 -33.1735 -33.1735 -33.1735 -33.1735 -15.3034 -15.3034 -14.6516 -14.6516 -14.6505 -14.6505 -14.5802 -14.5802 -14.3964 -14.3964 -14.3560 -14.3560 -14.2537 -14.2537 -14.2535 -14.2535 -14.2098 -14.2098 -14.2086 -14.2086 -14.1740 -14.1740 -14.1740 -14.1740 -11.9551 -11.9551 -10.5748 -10.5748 -2.1186 -2.1186 -2.1181 -2.1181 -2.1126 -2.1126 -1.3615 -1.3615 -1.3584 -1.3584 -1.3422 -1.3422 2.7197 2.7197 3.8790 3.8790 3.9653 3.9653 3.9670 3.9670 4.5000 4.5000 4.5110 4.5110 4.5506 4.5506 5.1491 5.1491 5.1585 5.1585 5.1595 5.1595 5.4338 5.4338 5.4379 5.4379 7.9868 7.9868 7.9870 7.9870 8.0046 8.0046 8.9340 8.9340 8.9346 8.9346 8.9404 8.9404 11.4387 11.4488 k = 0.5000 0.5000 0.4821 ( 6724 PWs) bands (ev): -33.1809 -33.1809 -33.1735 -33.1735 -33.1734 -33.1734 -33.1734 -33.1734 -15.3049 -15.3049 -14.6509 -14.6509 -14.6506 -14.6506 -14.5800 -14.5800 -14.3963 -14.3963 -14.3555 -14.3555 -14.2535 -14.2535 -14.2535 -14.2535 -14.2088 -14.2088 -14.2084 -14.2084 -14.1738 -14.1738 -14.1738 -14.1738 -11.9593 -11.9593 -10.5718 -10.5718 -2.1169 -2.1169 -2.1163 -2.1163 -2.1151 -2.1151 -1.3614 -1.3614 -1.3607 -1.3607 -1.3435 -1.3435 2.7225 2.7225 3.9020 3.9020 3.9640 3.9640 3.9645 3.9645 4.5088 4.5088 4.5217 4.5217 4.5306 4.5306 5.1457 5.1457 5.1478 5.1478 5.1488 5.1488 5.4422 5.4422 5.4433 5.4433 7.9846 7.9846 7.9847 7.9847 7.9891 7.9891 8.9306 8.9306 8.9312 8.9312 8.9325 8.9325 11.4790 11.4804 k = 0.5000 0.5000 0.5000 ( 6704 PWs) bands (ev): -33.1809 -33.1809 -33.1734 -33.1734 -33.1734 -33.1734 -33.1734 -33.1734 -15.3053 -15.3053 -14.6507 -14.6507 -14.6507 -14.6507 -14.5798 -14.5798 -14.3963 -14.3963 -14.3553 -14.3553 -14.2535 -14.2535 -14.2535 -14.2535 -14.2084 -14.2084 -14.2084 -14.2084 -14.1738 -14.1738 -14.1738 -14.1738 -11.9606 -11.9606 -10.5708 -10.5708 -2.1165 -2.1165 -2.1158 -2.1158 -2.1158 -2.1158 -1.3614 -1.3614 -1.3614 -1.3614 -1.3439 -1.3439 2.7235 2.7235 3.9101 3.9101 3.9636 3.9636 3.9636 3.9636 4.5100 4.5100 4.5254 4.5254 4.5254 4.5254 5.1442 5.1442 5.1442 5.1442 5.1454 5.1454 5.4451 5.4451 5.4451 5.4451 7.9838 7.9838 7.9840 7.9840 7.9840 7.9840 8.9293 8.9293 8.9301 8.9301 8.9301 8.9301 11.5062 11.5063 Writing output data file CaC2.save init_run : 0.28s CPU 0.49s WALL ( 1 calls) electrons : 632.12s CPU 641.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 632.10s CPU 641.85s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.11s WALL ( 216 calls) cegterg : 608.77s CPU 615.62s WALL ( 1027 calls) Called by sum_band: Called by *egterg: h_psi : 249.46s CPU 252.68s WALL ( 20323 calls) s_psi : 25.34s CPU 25.48s WALL ( 20323 calls) g_psi : 0.76s CPU 0.78s WALL ( 19080 calls) cdiaghg : 271.31s CPU 274.59s WALL ( 19296 calls) cegterg:over : 28.32s CPU 28.33s WALL ( 19080 calls) cegterg:upda : 30.66s CPU 30.98s WALL ( 19080 calls) cegterg:last : 10.34s CPU 10.29s WALL ( 1689 calls) cdiaghg:chol : 15.88s CPU 15.99s WALL ( 19296 calls) cdiaghg:inve : 11.40s CPU 11.74s WALL ( 19296 calls) cdiaghg:para : 20.22s CPU 20.19s WALL ( 38592 calls) Called by h_psi: h_psi:vloc : 196.19s CPU 199.04s WALL ( 20323 calls) h_psi:vnl : 52.21s CPU 52.63s WALL ( 20323 calls) add_vuspsi : 26.94s CPU 27.18s WALL ( 20323 calls) General routines calbec : 25.18s CPU 25.39s WALL ( 20323 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 181.72s CPU 184.16s WALL ( 1705380 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 1.68s WALL ( 432 calls) Parallel routines fft_scatter : 63.74s CPU 65.18s WALL ( 1705403 calls) PWSCF : 10m54.48s CPU 11m32.09s WALL This run was terminated on: 16:20:42 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=