Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 21:19:18 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./F2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 55 35 9 2651 1321 193 Max 56 36 10 2658 1335 202 Sum 4001 2537 717 191063 95577 14243 bravais-lattice index = 14 lattice parameter (alat) = 12.6045 a.u. unit-cell volume = 2002.5068 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 1 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.604472 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 F 7.00 18.99840 F( 1.00) 48 Sym. Ops., with inversion, found (24 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 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 =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( 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 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) f =( -0.5000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) 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 ) ( -0.5000000 ) 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 ) ( -0.5000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( 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 =( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 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 ) f =( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) 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 ) ( -0.5000000 ) 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 ) ( -0.5000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.5000000 ) ( 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 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) 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 ) ( -0.5000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(30) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 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 =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( -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 ) ( 0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( -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 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.5000000 ) ( -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 =( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 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 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.5000000 ) ( 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 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 187 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 2) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0053476 k( 3) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0053476 k( 4) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0053476 k( 5) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0053476 k( 6) = ( 0.0000000 0.1041667 -0.0000000), wk = 0.0053476 k( 7) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0053476 k( 8) = ( 0.0000000 0.1458333 -0.0000000), wk = 0.0053476 k( 9) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0053476 k( 10) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0053476 k( 11) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0053476 k( 12) = ( 0.0000000 0.2291667 -0.0000000), wk = 0.0053476 k( 13) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0053476 k( 14) = ( 0.0000000 0.2708333 -0.0000000), wk = 0.0053476 k( 15) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0053476 k( 16) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0053476 k( 17) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0053476 k( 18) = ( 0.0000000 0.3541667 -0.0000000), wk = 0.0053476 k( 19) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0053476 k( 20) = ( 0.0000000 0.3958333 -0.0000000), wk = 0.0053476 k( 21) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0053476 k( 22) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0053476 k( 23) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0053476 k( 24) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0053476 k( 25) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0053476 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0053476 k( 27) = ( 0.0208333 0.5000000 -0.0000000), wk = 0.0053476 k( 28) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0053476 k( 29) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0053476 k( 30) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0053476 k( 31) = ( 0.1041667 0.5000000 -0.0000000), wk = 0.0053476 k( 32) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0053476 k( 33) = ( 0.1458333 0.5000000 -0.0000000), wk = 0.0053476 k( 34) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0053476 k( 35) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0053476 k( 36) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0053476 k( 37) = ( 0.2291667 0.5000000 -0.0000000), wk = 0.0053476 k( 38) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0053476 k( 39) = ( 0.2708333 0.5000000 -0.0000000), wk = 0.0053476 k( 40) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0053476 k( 41) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0053476 k( 42) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0053476 k( 43) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0053476 k( 44) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0053476 k( 45) = ( 0.3958333 0.5000000 -0.0000000), wk = 0.0053476 k( 46) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0053476 k( 47) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0053476 k( 48) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0053476 k( 49) = ( 0.4791667 0.5000000 -0.0000000), wk = 0.0053476 k( 50) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053476 k( 51) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053476 k( 52) = ( 0.4852941 0.4852941 -0.0000000), wk = 0.0053476 k( 53) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0053476 k( 54) = ( 0.4558823 0.4558823 -0.0000000), wk = 0.0053476 k( 55) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0053476 k( 56) = ( 0.4264706 0.4264706 -0.0000000), wk = 0.0053476 k( 57) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0053476 k( 58) = ( 0.3970588 0.3970588 -0.0000000), wk = 0.0053476 k( 59) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0053476 k( 60) = ( 0.3676471 0.3676471 -0.0000000), wk = 0.0053476 k( 61) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0053476 k( 62) = ( 0.3382353 0.3382353 -0.0000000), wk = 0.0053476 k( 63) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0053476 k( 64) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0053476 k( 65) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0053476 k( 66) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0053476 k( 67) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0053476 k( 68) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0053476 k( 69) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0053476 k( 70) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0053476 k( 71) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0053476 k( 72) = ( 0.1911765 0.1911765 -0.0000000), wk = 0.0053476 k( 73) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0053476 k( 74) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0053476 k( 75) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0053476 k( 76) = ( 0.1323529 0.1323529 -0.0000000), wk = 0.0053476 k( 77) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0053476 k( 78) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0053476 k( 79) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0053476 k( 80) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0053476 k( 81) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0053476 k( 82) = ( 0.0441177 0.0441176 -0.0000000), wk = 0.0053476 k( 83) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0053476 k( 84) = ( 0.0147059 0.0147059 -0.0000000), wk = 0.0053476 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 87) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0053476 k( 88) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0053476 k( 89) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0053476 k( 90) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0053476 k( 91) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0053476 k( 92) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0053476 k( 93) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0053476 k( 94) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0053476 k( 95) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0053476 k( 96) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0053476 k( 97) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0053476 k( 98) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0053476 k( 99) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0053476 k( 100) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0053476 k( 101) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0053476 k( 102) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0053476 k( 103) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0053476 k( 104) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0053476 k( 105) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0053476 k( 106) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0053476 k( 107) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0053476 k( 108) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0053476 k( 109) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0053476 k( 110) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0053476 k( 111) = ( 0.3048781 0.3048780 0.3048780), wk = 0.0053476 k( 112) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0053476 k( 113) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0053476 k( 114) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0053476 k( 115) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0053476 k( 116) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0053476 k( 117) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0053476 k( 118) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0053476 k( 119) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0053476 k( 120) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0053476 k( 121) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0053476 k( 122) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0053476 k( 123) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0053476 k( 124) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0053476 k( 125) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0053476 k( 126) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0053476 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 129) = ( 0.4852941 0.5000000 0.4852941), wk = 0.0053476 k( 130) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0053476 k( 131) = ( 0.4558823 0.5000000 0.4558823), wk = 0.0053476 k( 132) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0053476 k( 133) = ( 0.4264706 0.5000000 0.4264706), wk = 0.0053476 k( 134) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0053476 k( 135) = ( 0.3970588 0.5000000 0.3970588), wk = 0.0053476 k( 136) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0053476 k( 137) = ( 0.3676471 0.5000000 0.3676471), wk = 0.0053476 k( 138) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0053476 k( 139) = ( 0.3382353 0.5000000 0.3382353), wk = 0.0053476 k( 140) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0053476 k( 141) = ( 0.3088235 0.5000000 0.3088235), wk = 0.0053476 k( 142) = ( 0.2941177 0.5000000 0.2941176), wk = 0.0053476 k( 143) = ( 0.2794118 0.5000000 0.2794118), wk = 0.0053476 k( 144) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0053476 k( 145) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0053476 k( 146) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0053476 k( 147) = ( 0.2205882 0.5000000 0.2205882), wk = 0.0053476 k( 148) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0053476 k( 149) = ( 0.1911765 0.5000000 0.1911765), wk = 0.0053476 k( 150) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0053476 k( 151) = ( 0.1617647 0.5000000 0.1617647), wk = 0.0053476 k( 152) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0053476 k( 153) = ( 0.1323529 0.5000000 0.1323529), wk = 0.0053476 k( 154) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0053476 k( 155) = ( 0.1029412 0.5000000 0.1029412), wk = 0.0053476 k( 156) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0053476 k( 157) = ( 0.0735294 0.5000000 0.0735294), wk = 0.0053476 k( 158) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0053476 k( 159) = ( 0.0441177 0.5000000 0.0441176), wk = 0.0053476 k( 160) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0053476 k( 161) = ( 0.0147059 0.5000000 0.0147059), wk = 0.0053476 k( 162) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0053476 k( 163) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0053476 k( 164) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0053476 k( 165) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0053476 k( 166) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0053476 k( 167) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0053476 k( 168) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0053476 k( 169) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0053476 k( 170) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0053476 k( 171) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0053476 k( 172) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0053476 k( 173) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0053476 k( 174) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0053476 k( 175) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0053476 k( 176) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0053476 k( 177) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0053476 k( 178) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0053476 k( 179) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0053476 k( 180) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0053476 k( 181) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0053476 k( 182) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0053476 k( 183) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0053476 k( 184) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0053476 k( 185) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0053476 k( 186) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0053476 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 2) = ( 0.0000000 0.0208333 0.0000000), wk = 0.0053476 k( 3) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0053476 k( 4) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0053476 k( 5) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0053476 k( 6) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0053476 k( 7) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0053476 k( 8) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0053476 k( 9) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0053476 k( 10) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0053476 k( 11) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0053476 k( 12) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0053476 k( 13) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0053476 k( 14) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0053476 k( 15) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0053476 k( 16) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0053476 k( 17) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0053476 k( 18) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0053476 k( 19) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0053476 k( 20) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0053476 k( 21) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0053476 k( 22) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0053476 k( 23) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0053476 k( 24) = ( 0.0000000 0.4791667 0.0000000), wk = 0.0053476 k( 25) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0053476 k( 26) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0053476 k( 27) = ( 0.0208333 0.5000000 0.0000000), wk = 0.0053476 k( 28) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0053476 k( 29) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0053476 k( 30) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0053476 k( 31) = ( 0.1041667 0.5000000 0.0000000), wk = 0.0053476 k( 32) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0053476 k( 33) = ( 0.1458333 0.5000000 0.0000000), wk = 0.0053476 k( 34) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0053476 k( 35) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0053476 k( 36) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0053476 k( 37) = ( 0.2291667 0.5000000 0.0000000), wk = 0.0053476 k( 38) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0053476 k( 39) = ( 0.2708333 0.5000000 0.0000000), wk = 0.0053476 k( 40) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0053476 k( 41) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0053476 k( 42) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0053476 k( 43) = ( 0.3541667 0.5000000 0.0000000), wk = 0.0053476 k( 44) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0053476 k( 45) = ( 0.3958333 0.5000000 0.0000000), wk = 0.0053476 k( 46) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0053476 k( 47) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0053476 k( 48) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0053476 k( 49) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0053476 k( 50) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0053476 k( 51) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0053476 k( 52) = ( 0.4852941 0.4852941 0.0000000), wk = 0.0053476 k( 53) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0053476 k( 54) = ( 0.4558823 0.4558823 0.0000000), wk = 0.0053476 k( 55) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0053476 k( 56) = ( 0.4264706 0.4264706 -0.0000000), wk = 0.0053476 k( 57) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0053476 k( 58) = ( 0.3970588 0.3970588 0.0000000), wk = 0.0053476 k( 59) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0053476 k( 60) = ( 0.3676471 0.3676471 0.0000000), wk = 0.0053476 k( 61) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0053476 k( 62) = ( 0.3382353 0.3382353 -0.0000000), wk = 0.0053476 k( 63) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0053476 k( 64) = ( 0.3088235 0.3088235 0.0000000), wk = 0.0053476 k( 65) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0053476 k( 66) = ( 0.2794118 0.2794118 0.0000000), wk = 0.0053476 k( 67) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0053476 k( 68) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0053476 k( 69) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0053476 k( 70) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0053476 k( 71) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0053476 k( 72) = ( 0.1911765 0.1911765 0.0000000), wk = 0.0053476 k( 73) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0053476 k( 74) = ( 0.1617647 0.1617647 0.0000000), wk = 0.0053476 k( 75) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0053476 k( 76) = ( 0.1323529 0.1323529 0.0000000), wk = 0.0053476 k( 77) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0053476 k( 78) = ( 0.1029412 0.1029412 0.0000000), wk = 0.0053476 k( 79) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0053476 k( 80) = ( 0.0735294 0.0735294 0.0000000), wk = 0.0053476 k( 81) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0053476 k( 82) = ( 0.0441177 0.0441177 0.0000000), wk = 0.0053476 k( 83) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0053476 k( 84) = ( 0.0147059 0.0147059 0.0000000), wk = 0.0053476 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0053476 k( 87) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0053476 k( 88) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0053476 k( 89) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0053476 k( 90) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0053476 k( 91) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0053476 k( 92) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0053476 k( 93) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0053476 k( 94) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0053476 k( 95) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0053476 k( 96) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0053476 k( 97) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0053476 k( 98) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0053476 k( 99) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0053476 k( 100) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0053476 k( 101) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0053476 k( 102) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0053476 k( 103) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0053476 k( 104) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0053476 k( 105) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0053476 k( 106) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0053476 k( 107) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0053476 k( 108) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0053476 k( 109) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0053476 k( 110) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0053476 k( 111) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0053476 k( 112) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0053476 k( 113) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0053476 k( 114) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0053476 k( 115) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0053476 k( 116) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0053476 k( 117) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0053476 k( 118) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0053476 k( 119) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0053476 k( 120) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0053476 k( 121) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0053476 k( 122) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0053476 k( 123) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0053476 k( 124) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0053476 k( 125) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0053476 k( 126) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0053476 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 k( 129) = ( 0.4852941 0.5000000 0.4852941), wk = 0.0053476 k( 130) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0053476 k( 131) = ( 0.4558823 0.5000000 0.4558823), wk = 0.0053476 k( 132) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0053476 k( 133) = ( 0.4264706 0.5000000 0.4264706), wk = 0.0053476 k( 134) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0053476 k( 135) = ( 0.3970588 0.5000000 0.3970588), wk = 0.0053476 k( 136) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0053476 k( 137) = ( 0.3676471 0.5000000 0.3676471), wk = 0.0053476 k( 138) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0053476 k( 139) = ( 0.3382353 0.5000000 0.3382353), wk = 0.0053476 k( 140) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0053476 k( 141) = ( 0.3088235 0.5000000 0.3088235), wk = 0.0053476 k( 142) = ( 0.2941177 0.5000000 0.2941177), wk = 0.0053476 k( 143) = ( 0.2794118 0.5000000 0.2794118), wk = 0.0053476 k( 144) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0053476 k( 145) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0053476 k( 146) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0053476 k( 147) = ( 0.2205882 0.5000000 0.2205882), wk = 0.0053476 k( 148) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0053476 k( 149) = ( 0.1911765 0.5000000 0.1911765), wk = 0.0053476 k( 150) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0053476 k( 151) = ( 0.1617647 0.5000000 0.1617647), wk = 0.0053476 k( 152) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0053476 k( 153) = ( 0.1323529 0.5000000 0.1323529), wk = 0.0053476 k( 154) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0053476 k( 155) = ( 0.1029412 0.5000000 0.1029412), wk = 0.0053476 k( 156) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0053476 k( 157) = ( 0.0735294 0.5000000 0.0735294), wk = 0.0053476 k( 158) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0053476 k( 159) = ( 0.0441177 0.5000000 0.0441177), wk = 0.0053476 k( 160) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0053476 k( 161) = ( 0.0147059 0.5000000 0.0147059), wk = 0.0053476 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0053476 k( 163) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0053476 k( 164) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0053476 k( 165) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0053476 k( 166) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0053476 k( 167) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0053476 k( 168) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0053476 k( 169) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0053476 k( 170) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0053476 k( 171) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0053476 k( 172) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0053476 k( 173) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0053476 k( 174) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0053476 k( 175) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0053476 k( 176) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0053476 k( 177) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0053476 k( 178) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0053476 k( 179) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0053476 k( 180) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0053476 k( 181) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0053476 k( 182) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0053476 k( 183) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0053476 k( 184) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0053476 k( 185) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0053476 k( 186) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0053476 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0053476 Dense grid: 191063 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 95577 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 340, 68) NL pseudopotentials 0.29 Mb ( 170, 112) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.02 Mb ( 2654) G-vector shells 0.01 Mb ( 710) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.41 Mb ( 340, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.23 Mb ( 112, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./F2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.6 secs Computing kpt #: 10 total cpu time spent up to now is 8.1 secs Computing kpt #: 11 total cpu time spent up to now is 8.7 secs Computing kpt #: 12 total cpu time spent up to now is 9.2 secs Computing kpt #: 13 total cpu time spent up to now is 9.8 secs Computing kpt #: 14 total cpu time spent up to now is 10.3 secs Computing kpt #: 15 total cpu time spent up to now is 10.9 secs Computing kpt #: 16 total cpu time spent up to now is 11.4 secs Computing kpt #: 17 total cpu time spent up to now is 12.0 secs Computing kpt #: 18 total cpu time spent up to now is 12.5 secs Computing kpt #: 19 total cpu time spent up to now is 13.0 secs Computing kpt #: 20 total cpu time spent up to now is 13.6 secs Computing kpt #: 21 total cpu time spent up to now is 14.1 secs Computing kpt #: 22 total cpu time spent up to now is 14.6 secs Computing kpt #: 23 total cpu time spent up to now is 15.1 secs Computing kpt #: 24 total cpu time spent up to now is 15.6 secs Computing kpt #: 25 total cpu time spent up to now is 16.1 secs Computing kpt #: 26 total cpu time spent up to now is 16.6 secs Computing kpt #: 27 total cpu time spent up to now is 17.1 secs Computing kpt #: 28 total cpu time spent up to now is 17.7 secs Computing kpt #: 29 total cpu time spent up to now is 18.2 secs Computing kpt #: 30 total cpu time spent up to now is 18.7 secs Computing kpt #: 31 total cpu time spent up to now is 19.2 secs Computing kpt #: 32 total cpu time spent up to now is 19.7 secs Computing kpt #: 33 total cpu time spent up to now is 20.3 secs Computing kpt #: 34 total cpu time spent up to now is 20.8 secs Computing kpt #: 35 total cpu time spent up to now is 21.3 secs Computing kpt #: 36 total cpu time spent up to now is 21.9 secs Computing kpt #: 37 total cpu time spent up to now is 22.5 secs Computing kpt #: 38 total cpu time spent up to now is 23.0 secs Computing kpt #: 39 total cpu time spent up to now is 23.6 secs Computing kpt #: 40 total cpu time spent up to now is 24.1 secs Computing kpt #: 41 total cpu time spent up to now is 24.7 secs Computing kpt #: 42 total cpu time spent up to now is 25.2 secs Computing kpt #: 43 total cpu time spent up to now is 25.8 secs Computing kpt #: 44 total cpu time spent up to now is 26.4 secs Computing kpt #: 45 total cpu time spent up to now is 27.0 secs Computing kpt #: 46 total cpu time spent up to now is 27.6 secs Computing kpt #: 47 total cpu time spent up to now is 28.2 secs Computing kpt #: 48 total cpu time spent up to now is 28.8 secs Computing kpt #: 49 total cpu time spent up to now is 29.4 secs Computing kpt #: 50 total cpu time spent up to now is 30.2 secs Computing kpt #: 51 total cpu time spent up to now is 31.1 secs Computing kpt #: 52 total cpu time spent up to now is 31.7 secs Computing kpt #: 53 total cpu time spent up to now is 32.8 secs Computing kpt #: 54 total cpu time spent up to now is 33.4 secs Computing kpt #: 55 total cpu time spent up to now is 34.2 secs Computing kpt #: 56 total cpu time spent up to now is 34.9 secs Computing kpt #: 57 total cpu time spent up to now is 35.5 secs Computing kpt #: 58 total cpu time spent up to now is 36.2 secs Computing kpt #: 59 total cpu time spent up to now is 36.8 secs Computing kpt #: 60 total cpu time spent up to now is 37.5 secs Computing kpt #: 61 total cpu time spent up to now is 38.2 secs Computing kpt #: 62 total cpu time spent up to now is 39.0 secs Computing kpt #: 63 total cpu time spent up to now is 39.8 secs Computing kpt #: 64 total cpu time spent up to now is 40.6 secs Computing kpt #: 65 total cpu time spent up to now is 41.5 secs Computing kpt #: 66 total cpu time spent up to now is 42.3 secs Computing kpt #: 67 total cpu time spent up to now is 43.1 secs Computing kpt #: 68 total cpu time spent up to now is 43.9 secs Computing kpt #: 69 total cpu time spent up to now is 44.7 secs Computing kpt #: 70 total cpu time spent up to now is 45.9 secs Computing kpt #: 71 total cpu time spent up to now is 46.9 secs Computing kpt #: 72 total cpu time spent up to now is 47.8 secs Computing kpt #: 73 total cpu time spent up to now is 48.6 secs Computing kpt #: 74 total cpu time spent up to now is 49.8 secs Computing kpt #: 75 total cpu time spent up to now is 50.7 secs Computing kpt #: 76 total cpu time spent up to now is 51.9 secs Computing kpt #: 77 total cpu time spent up to now is 52.7 secs Computing kpt #: 78 total cpu time spent up to now is 53.9 secs Computing kpt #: 79 total cpu time spent up to now is 55.7 secs Computing kpt #: 80 total cpu time spent up to now is 56.5 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.1 secs Computing kpt #: 82 total cpu time spent up to now is 60.0 secs Computing kpt #: 83 total cpu time spent up to now is 60.8 secs Computing kpt #: 84 total cpu time spent up to now is 62.0 secs Computing kpt #: 85 total cpu time spent up to now is 62.8 secs Computing kpt #: 86 total cpu time spent up to now is 63.5 secs Computing kpt #: 87 total cpu time spent up to now is 64.1 secs Computing kpt #: 88 total cpu time spent up to now is 64.8 secs Computing kpt #: 89 total cpu time spent up to now is 66.1 secs Computing kpt #: 90 total cpu time spent up to now is 67.3 secs Computing kpt #: 91 total cpu time spent up to now is 68.5 secs Computing kpt #: 92 total cpu time spent up to now is 69.7 secs Computing kpt #: 93 total cpu time spent up to now is 70.9 secs Computing kpt #: 94 total cpu time spent up to now is 72.1 secs Computing kpt #: 95 total cpu time spent up to now is 73.1 secs Computing kpt #: 96 total cpu time spent up to now is 74.3 secs Computing kpt #: 97 total cpu time spent up to now is 75.5 secs Computing kpt #: 98 total cpu time spent up to now is 76.5 secs Computing kpt #: 99 total cpu time spent up to now is 77.7 secs Computing kpt #: 100 total cpu time spent up to now is 78.7 secs Computing kpt #: 101 total cpu time spent up to now is 79.9 secs Computing kpt #: 102 total cpu time spent up to now is 80.9 secs Computing kpt #: 103 total cpu time spent up to now is 81.7 secs Computing kpt #: 104 total cpu time spent up to now is 82.7 secs Computing kpt #: 105 total cpu time spent up to now is 83.6 secs Computing kpt #: 106 total cpu time spent up to now is 84.4 secs Computing kpt #: 107 total cpu time spent up to now is 85.2 secs Computing kpt #: 108 total cpu time spent up to now is 85.8 secs Computing kpt #: 109 total cpu time spent up to now is 86.4 secs Computing kpt #: 110 total cpu time spent up to now is 87.2 secs Computing kpt #: 111 total cpu time spent up to now is 88.1 secs Computing kpt #: 112 total cpu time spent up to now is 88.9 secs Computing kpt #: 113 total cpu time spent up to now is 89.7 secs Computing kpt #: 114 total cpu time spent up to now is 90.6 secs Computing kpt #: 115 total cpu time spent up to now is 91.4 secs Computing kpt #: 116 total cpu time spent up to now is 92.3 secs Computing kpt #: 117 total cpu time spent up to now is 93.2 secs Computing kpt #: 118 total cpu time spent up to now is 94.0 secs Computing kpt #: 119 total cpu time spent up to now is 94.9 secs Computing kpt #: 120 total cpu time spent up to now is 95.7 secs Computing kpt #: 121 total cpu time spent up to now is 96.5 secs Computing kpt #: 122 total cpu time spent up to now is 97.4 secs Computing kpt #: 123 total cpu time spent up to now is 98.3 secs Computing kpt #: 124 total cpu time spent up to now is 99.2 secs Computing kpt #: 125 total cpu time spent up to now is 100.1 secs Computing kpt #: 126 total cpu time spent up to now is 101.1 secs Computing kpt #: 127 total cpu time spent up to now is 101.7 secs Computing kpt #: 128 total cpu time spent up to now is 102.3 secs Computing kpt #: 129 total cpu time spent up to now is 103.2 secs Computing kpt #: 130 total cpu time spent up to now is 104.0 secs Computing kpt #: 131 total cpu time spent up to now is 104.6 secs Computing kpt #: 132 total cpu time spent up to now is 105.2 secs Computing kpt #: 133 total cpu time spent up to now is 106.0 secs Computing kpt #: 134 total cpu time spent up to now is 106.7 secs Computing kpt #: 135 total cpu time spent up to now is 107.5 secs Computing kpt #: 136 total cpu time spent up to now is 108.2 secs Computing kpt #: 137 total cpu time spent up to now is 108.8 secs Computing kpt #: 138 total cpu time spent up to now is 109.3 secs Computing kpt #: 139 total cpu time spent up to now is 109.9 secs Computing kpt #: 140 total cpu time spent up to now is 110.5 secs Computing kpt #: 141 total cpu time spent up to now is 111.1 secs Computing kpt #: 142 total cpu time spent up to now is 111.6 secs Computing kpt #: 143 total cpu time spent up to now is 112.2 secs Computing kpt #: 144 total cpu time spent up to now is 112.8 secs Computing kpt #: 145 total cpu time spent up to now is 113.3 secs Computing kpt #: 146 total cpu time spent up to now is 113.9 secs Computing kpt #: 147 total cpu time spent up to now is 114.4 secs Computing kpt #: 148 total cpu time spent up to now is 115.0 secs Computing kpt #: 149 total cpu time spent up to now is 115.5 secs Computing kpt #: 150 total cpu time spent up to now is 116.0 secs Computing kpt #: 151 total cpu time spent up to now is 116.6 secs Computing kpt #: 152 total cpu time spent up to now is 117.1 secs Computing kpt #: 153 total cpu time spent up to now is 117.6 secs Computing kpt #: 154 total cpu time spent up to now is 118.1 secs Computing kpt #: 155 total cpu time spent up to now is 118.7 secs Computing kpt #: 156 total cpu time spent up to now is 119.2 secs Computing kpt #: 157 total cpu time spent up to now is 119.7 secs Computing kpt #: 158 total cpu time spent up to now is 120.2 secs Computing kpt #: 159 total cpu time spent up to now is 120.8 secs Computing kpt #: 160 total cpu time spent up to now is 121.3 secs Computing kpt #: 161 total cpu time spent up to now is 121.8 secs Computing kpt #: 162 total cpu time spent up to now is 122.3 secs Computing kpt #: 163 total cpu time spent up to now is 123.1 secs Computing kpt #: 164 total cpu time spent up to now is 124.0 secs Computing kpt #: 165 total cpu time spent up to now is 125.0 secs Computing kpt #: 166 total cpu time spent up to now is 125.9 secs Computing kpt #: 167 total cpu time spent up to now is 126.9 secs Computing kpt #: 168 total cpu time spent up to now is 128.2 secs Computing kpt #: 169 total cpu time spent up to now is 129.3 secs Computing kpt #: 170 total cpu time spent up to now is 130.1 secs Computing kpt #: 171 total cpu time spent up to now is 131.2 secs Computing kpt #: 172 total cpu time spent up to now is 132.3 secs Computing kpt #: 173 total cpu time spent up to now is 133.6 secs Computing kpt #: 174 total cpu time spent up to now is 134.5 secs Computing kpt #: 175 total cpu time spent up to now is 135.5 secs Computing kpt #: 176 total cpu time spent up to now is 136.6 secs Computing kpt #: 177 total cpu time spent up to now is 137.7 secs Computing kpt #: 178 total cpu time spent up to now is 138.7 secs Computing kpt #: 179 total cpu time spent up to now is 139.6 secs Computing kpt #: 180 total cpu time spent up to now is 140.5 secs Computing kpt #: 181 total cpu time spent up to now is 141.6 secs Computing kpt #: 182 total cpu time spent up to now is 142.5 secs Computing kpt #: 183 total cpu time spent up to now is 143.7 secs Computing kpt #: 184 total cpu time spent up to now is 144.8 secs Computing kpt #: 185 total cpu time spent up to now is 146.0 secs Computing kpt #: 186 total cpu time spent up to now is 147.3 secs Computing kpt #: 187 total cpu time spent up to now is 147.9 secs ethr = 1.79E-08, avg # of iterations = 23.8 total cpu time spent up to now is 147.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11981 PWs) bands (ev): -27.6288 -27.6288 -27.6063 -27.6063 -27.6063 -27.6063 -27.5938 -27.5938 -27.5830 -27.5830 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -9.0824 -9.0824 -9.0824 -9.0824 -9.0300 -9.0300 -8.9706 -8.9706 -8.9661 -8.9661 -8.9661 -8.9661 -8.8980 -8.8980 -8.8422 -8.8422 -8.8422 -8.8422 -8.7701 -8.7701 -8.7516 -8.7516 -8.7516 -8.7516 -8.7135 -8.7135 -8.7126 -8.7126 -8.7126 -8.7126 -8.7011 -8.7011 -8.7011 -8.7011 -8.6998 -8.6998 -8.6930 -8.6930 -8.6679 -8.6679 -8.6679 -8.6679 -8.6401 -8.6401 -8.6162 -8.6162 -8.6162 -8.6162 0.7181 0.7181 4.1590 4.1591 k = 0.0000 0.0208-0.0000 ( 11945 PWs) bands (ev): -27.6288 -27.6288 -27.6063 -27.6063 -27.6063 -27.6063 -27.5938 -27.5938 -27.5831 -27.5831 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -9.0824 -9.0824 -9.0821 -9.0821 -9.0300 -9.0300 -8.9705 -8.9705 -8.9660 -8.9660 -8.9658 -8.9658 -8.8980 -8.8980 -8.8425 -8.8425 -8.8421 -8.8421 -8.7699 -8.7699 -8.7516 -8.7516 -8.7514 -8.7514 -8.7143 -8.7143 -8.7129 -8.7129 -8.7118 -8.7118 -8.7014 -8.7014 -8.7010 -8.7010 -8.6999 -8.6999 -8.6927 -8.6927 -8.6679 -8.6679 -8.6679 -8.6679 -8.6402 -8.6402 -8.6164 -8.6164 -8.6162 -8.6162 0.7198 0.7198 4.0959 4.0959 k = 0.0000 0.0417-0.0000 ( 11941 PWs) bands (ev): -27.6287 -27.6287 -27.6063 -27.6063 -27.6062 -27.6062 -27.5938 -27.5938 -27.5831 -27.5831 -27.5741 -27.5741 -27.5740 -27.5740 -27.5740 -27.5740 -9.0826 -9.0826 -9.0813 -9.0813 -9.0298 -9.0298 -8.9702 -8.9702 -8.9658 -8.9658 -8.9652 -8.9652 -8.8981 -8.8981 -8.8432 -8.8432 -8.8418 -8.8418 -8.7694 -8.7694 -8.7517 -8.7517 -8.7510 -8.7510 -8.7155 -8.7155 -8.7137 -8.7137 -8.7109 -8.7109 -8.7021 -8.7021 -8.7007 -8.7007 -8.7001 -8.7001 -8.6921 -8.6921 -8.6681 -8.6681 -8.6680 -8.6680 -8.6407 -8.6407 -8.6173 -8.6173 -8.6162 -8.6162 0.7252 0.7252 3.9831 3.9831 k = 0.0000 0.0625-0.0000 ( 11929 PWs) bands (ev): -27.6286 -27.6286 -27.6064 -27.6064 -27.6060 -27.6060 -27.5938 -27.5938 -27.5831 -27.5831 -27.5743 -27.5743 -27.5740 -27.5740 -27.5740 -27.5740 -9.0829 -9.0829 -9.0801 -9.0801 -9.0295 -9.0295 -8.9697 -8.9697 -8.9655 -8.9655 -8.9639 -8.9639 -8.8981 -8.8981 -8.8443 -8.8443 -8.8412 -8.8412 -8.7686 -8.7686 -8.7519 -8.7519 -8.7504 -8.7504 -8.7165 -8.7165 -8.7150 -8.7150 -8.7102 -8.7102 -8.7031 -8.7031 -8.7005 -8.7005 -8.7001 -8.7001 -8.6914 -8.6914 -8.6683 -8.6683 -8.6680 -8.6680 -8.6414 -8.6414 -8.6187 -8.6187 -8.6164 -8.6164 0.7340 0.7340 3.8622 3.8622 k = 0.0000 0.0833-0.0000 ( 11937 PWs) bands (ev): -27.6284 -27.6284 -27.6064 -27.6064 -27.6058 -27.6058 -27.5939 -27.5939 -27.5832 -27.5832 -27.5745 -27.5745 -27.5740 -27.5740 -27.5740 -27.5740 -9.0833 -9.0833 -9.0785 -9.0785 -9.0289 -9.0289 -8.9692 -8.9692 -8.9651 -8.9651 -8.9621 -8.9621 -8.8982 -8.8982 -8.8458 -8.8458 -8.8403 -8.8403 -8.7675 -8.7675 -8.7522 -8.7522 -8.7495 -8.7495 -8.7174 -8.7174 -8.7167 -8.7167 -8.7098 -8.7098 -8.7042 -8.7042 -8.7010 -8.7010 -8.6993 -8.6993 -8.6909 -8.6909 -8.6685 -8.6685 -8.6681 -8.6681 -8.6425 -8.6425 -8.6205 -8.6205 -8.6165 -8.6165 0.7464 0.7464 3.7401 3.7401 k = 0.0000 0.1042-0.0000 ( 11929 PWs) bands (ev): -27.6281 -27.6281 -27.6065 -27.6065 -27.6056 -27.6056 -27.5939 -27.5939 -27.5833 -27.5833 -27.5748 -27.5748 -27.5740 -27.5740 -27.5740 -27.5740 -9.0837 -9.0837 -9.0766 -9.0766 -9.0280 -9.0280 -8.9687 -8.9687 -8.9647 -8.9647 -8.9596 -8.9596 -8.8984 -8.8984 -8.8476 -8.8476 -8.8391 -8.8391 -8.7662 -8.7662 -8.7526 -8.7526 -8.7484 -8.7484 -8.7189 -8.7189 -8.7180 -8.7180 -8.7098 -8.7098 -8.7055 -8.7055 -8.7016 -8.7016 -8.6982 -8.6982 -8.6909 -8.6909 -8.6686 -8.6686 -8.6682 -8.6682 -8.6440 -8.6440 -8.6225 -8.6225 -8.6167 -8.6167 0.7623 0.7623 3.6186 3.6186 k = 0.0000 0.1250-0.0000 ( 11917 PWs) bands (ev): -27.6277 -27.6277 -27.6066 -27.6066 -27.6053 -27.6053 -27.5940 -27.5940 -27.5834 -27.5834 -27.5751 -27.5751 -27.5740 -27.5740 -27.5740 -27.5740 -9.0842 -9.0842 -9.0745 -9.0745 -9.0266 -9.0266 -8.9683 -8.9683 -8.9641 -8.9641 -8.9566 -8.9566 -8.8988 -8.8988 -8.8497 -8.8497 -8.8375 -8.8375 -8.7647 -8.7647 -8.7531 -8.7531 -8.7472 -8.7472 -8.7215 -8.7215 -8.7184 -8.7184 -8.7102 -8.7102 -8.7071 -8.7071 -8.7022 -8.7022 -8.6968 -8.6968 -8.6913 -8.6913 -8.6685 -8.6685 -8.6683 -8.6683 -8.6460 -8.6460 -8.6247 -8.6247 -8.6170 -8.6170 0.7817 0.7817 3.4984 3.4984 k = 0.0000 0.1458-0.0000 ( 11937 PWs) bands (ev): -27.6274 -27.6274 -27.6068 -27.6068 -27.6050 -27.6050 -27.5941 -27.5941 -27.5835 -27.5835 -27.5755 -27.5755 -27.5740 -27.5740 -27.5740 -27.5740 -9.0848 -9.0848 -9.0725 -9.0725 -9.0245 -9.0245 -8.9678 -8.9678 -8.9634 -8.9634 -8.9529 -8.9529 -8.8992 -8.8992 -8.8520 -8.8520 -8.8355 -8.8355 -8.7632 -8.7632 -8.7538 -8.7538 -8.7460 -8.7460 -8.7243 -8.7243 -8.7186 -8.7186 -8.7109 -8.7109 -8.7092 -8.7092 -8.7027 -8.7027 -8.6953 -8.6953 -8.6925 -8.6925 -8.6684 -8.6684 -8.6683 -8.6683 -8.6485 -8.6485 -8.6268 -8.6268 -8.6173 -8.6173 0.8046 0.8046 3.3797 3.3797 k = 0.0000 0.1667-0.0000 ( 11941 PWs) bands (ev): -27.6269 -27.6269 -27.6070 -27.6070 -27.6047 -27.6047 -27.5941 -27.5941 -27.5836 -27.5836 -27.5759 -27.5759 -27.5740 -27.5740 -27.5740 -27.5740 -9.0853 -9.0853 -9.0708 -9.0708 -9.0216 -9.0216 -8.9672 -8.9672 -8.9627 -8.9627 -8.9487 -8.9487 -8.8998 -8.8998 -8.8544 -8.8544 -8.8332 -8.8332 -8.7616 -8.7616 -8.7545 -8.7545 -8.7447 -8.7447 -8.7274 -8.7274 -8.7184 -8.7184 -8.7119 -8.7119 -8.7117 -8.7117 -8.7031 -8.7031 -8.6942 -8.6942 -8.6938 -8.6938 -8.6685 -8.6685 -8.6680 -8.6680 -8.6514 -8.6514 -8.6286 -8.6286 -8.6176 -8.6176 0.8310 0.8310 3.2629 3.2629 k = 0.0000 0.1875-0.0000 ( 11948 PWs) bands (ev): -27.6264 -27.6264 -27.6072 -27.6072 -27.6042 -27.6042 -27.5942 -27.5942 -27.5838 -27.5838 -27.5764 -27.5764 -27.5740 -27.5740 -27.5740 -27.5740 -9.0859 -9.0859 -9.0694 -9.0694 -9.0177 -9.0177 -8.9667 -8.9667 -8.9620 -8.9620 -8.9439 -8.9439 -8.9005 -8.9005 -8.8569 -8.8569 -8.8304 -8.8304 -8.7600 -8.7600 -8.7553 -8.7553 -8.7434 -8.7434 -8.7308 -8.7308 -8.7180 -8.7180 -8.7149 -8.7149 -8.7131 -8.7131 -8.7035 -8.7035 -8.6966 -8.6966 -8.6921 -8.6921 -8.6687 -8.6687 -8.6676 -8.6676 -8.6546 -8.6546 -8.6300 -8.6300 -8.6180 -8.6180 0.8607 0.8607 3.1479 3.1479 k = 0.0000 0.2083-0.0000 ( 11948 PWs) bands (ev): -27.6259 -27.6259 -27.6074 -27.6074 -27.6038 -27.6038 -27.5943 -27.5943 -27.5839 -27.5839 -27.5769 -27.5769 -27.5740 -27.5740 -27.5740 -27.5740 -9.0864 -9.0864 -9.0686 -9.0686 -9.0128 -9.0128 -8.9661 -8.9661 -8.9612 -8.9612 -8.9387 -8.9387 -8.9012 -8.9012 -8.8594 -8.8594 -8.8272 -8.8272 -8.7585 -8.7585 -8.7562 -8.7562 -8.7422 -8.7422 -8.7345 -8.7345 -8.7186 -8.7186 -8.7174 -8.7174 -8.7146 -8.7146 -8.7043 -8.7043 -8.6993 -8.6993 -8.6905 -8.6905 -8.6687 -8.6687 -8.6674 -8.6674 -8.6578 -8.6578 -8.6311 -8.6311 -8.6184 -8.6184 0.8939 0.8939 3.0349 3.0349 k = 0.0000 0.2292-0.0000 ( 11940 PWs) bands (ev): -27.6253 -27.6253 -27.6077 -27.6077 -27.6033 -27.6033 -27.5943 -27.5943 -27.5841 -27.5841 -27.5775 -27.5775 -27.5740 -27.5740 -27.5740 -27.5740 -9.0869 -9.0869 -9.0682 -9.0682 -9.0068 -9.0068 -8.9656 -8.9656 -8.9604 -8.9604 -8.9330 -8.9330 -8.9020 -8.9020 -8.8619 -8.8619 -8.8237 -8.8237 -8.7576 -8.7576 -8.7565 -8.7565 -8.7413 -8.7413 -8.7384 -8.7384 -8.7228 -8.7228 -8.7166 -8.7166 -8.7163 -8.7163 -8.7065 -8.7065 -8.7014 -8.7014 -8.6889 -8.6889 -8.6688 -8.6688 -8.6677 -8.6677 -8.6603 -8.6603 -8.6319 -8.6319 -8.6189 -8.6189 0.9305 0.9305 2.9240 2.9240 k = 0.0000 0.2500-0.0000 ( 11932 PWs) bands (ev): -27.6247 -27.6247 -27.6081 -27.6081 -27.6028 -27.6028 -27.5944 -27.5944 -27.5843 -27.5843 -27.5781 -27.5781 -27.5740 -27.5740 -27.5740 -27.5740 -9.0873 -9.0873 -9.0683 -9.0683 -8.9998 -8.9998 -8.9649 -8.9649 -8.9596 -8.9596 -8.9268 -8.9268 -8.9029 -8.9029 -8.8644 -8.8644 -8.8199 -8.8199 -8.7583 -8.7583 -8.7552 -8.7552 -8.7432 -8.7432 -8.7401 -8.7401 -8.7273 -8.7273 -8.7184 -8.7184 -8.7154 -8.7154 -8.7109 -8.7109 -8.7021 -8.7021 -8.6873 -8.6873 -8.6688 -8.6688 -8.6687 -8.6687 -8.6617 -8.6617 -8.6324 -8.6324 -8.6194 -8.6194 0.9704 0.9704 2.8152 2.8152 k = 0.0000 0.2708-0.0000 ( 11944 PWs) bands (ev): -27.6240 -27.6240 -27.6085 -27.6085 -27.6022 -27.6022 -27.5944 -27.5944 -27.5844 -27.5844 -27.5787 -27.5787 -27.5740 -27.5740 -27.5740 -27.5740 -9.0876 -9.0876 -9.0688 -9.0688 -8.9919 -8.9919 -8.9643 -8.9643 -8.9589 -8.9589 -8.9203 -8.9203 -8.9036 -8.9036 -8.8667 -8.8667 -8.8158 -8.8158 -8.7592 -8.7592 -8.7538 -8.7538 -8.7484 -8.7484 -8.7397 -8.7397 -8.7320 -8.7320 -8.7206 -8.7206 -8.7165 -8.7165 -8.7143 -8.7143 -8.7022 -8.7022 -8.6858 -8.6858 -8.6704 -8.6704 -8.6688 -8.6688 -8.6622 -8.6622 -8.6327 -8.6327 -8.6199 -8.6199 1.0135 1.0135 2.7086 2.7086 k = 0.0000 0.2917-0.0000 ( 11932 PWs) bands (ev): -27.6233 -27.6233 -27.6089 -27.6089 -27.6017 -27.6017 -27.5945 -27.5945 -27.5846 -27.5846 -27.5793 -27.5793 -27.5740 -27.5740 -27.5740 -27.5740 -9.0879 -9.0879 -9.0696 -9.0696 -8.9832 -8.9832 -8.9637 -8.9637 -8.9582 -8.9582 -8.9134 -8.9134 -8.9043 -8.9043 -8.8689 -8.8689 -8.8115 -8.8115 -8.7601 -8.7601 -8.7543 -8.7543 -8.7523 -8.7523 -8.7400 -8.7400 -8.7366 -8.7366 -8.7231 -8.7231 -8.7226 -8.7226 -8.7130 -8.7130 -8.7021 -8.7021 -8.6844 -8.6844 -8.6721 -8.6721 -8.6688 -8.6688 -8.6622 -8.6622 -8.6327 -8.6327 -8.6205 -8.6205 1.0600 1.0600 2.6042 2.6042 k = 0.0000 0.3125-0.0000 ( 11912 PWs) bands (ev): -27.6226 -27.6226 -27.6094 -27.6094 -27.6011 -27.6011 -27.5945 -27.5945 -27.5847 -27.5847 -27.5800 -27.5800 -27.5740 -27.5740 -27.5740 -27.5740 -9.0880 -9.0880 -9.0706 -9.0706 -8.9739 -8.9739 -8.9630 -8.9630 -8.9576 -8.9576 -8.9063 -8.9063 -8.9049 -8.9049 -8.8708 -8.8708 -8.8071 -8.8071 -8.7612 -8.7612 -8.7608 -8.7608 -8.7509 -8.7509 -8.7436 -8.7436 -8.7391 -8.7391 -8.7281 -8.7281 -8.7259 -8.7259 -8.7117 -8.7117 -8.7019 -8.7019 -8.6831 -8.6831 -8.6736 -8.6736 -8.6687 -8.6687 -8.6621 -8.6621 -8.6326 -8.6326 -8.6211 -8.6211 1.1096 1.1096 2.5022 2.5022 k = 0.0000 0.3333-0.0000 ( 11940 PWs) bands (ev): -27.6219 -27.6219 -27.6099 -27.6099 -27.6004 -27.6004 -27.5946 -27.5946 -27.5849 -27.5849 -27.5806 -27.5806 -27.5740 -27.5740 -27.5740 -27.5740 -9.0879 -9.0879 -9.0718 -9.0718 -8.9645 -8.9645 -8.9619 -8.9619 -8.9572 -8.9572 -8.9054 -8.9054 -8.8990 -8.8990 -8.8722 -8.8722 -8.8028 -8.8028 -8.7688 -8.7688 -8.7615 -8.7615 -8.7500 -8.7500 -8.7496 -8.7496 -8.7408 -8.7408 -8.7320 -8.7320 -8.7288 -8.7288 -8.7104 -8.7104 -8.7017 -8.7017 -8.6819 -8.6819 -8.6747 -8.6747 -8.6685 -8.6685 -8.6620 -8.6620 -8.6324 -8.6324 -8.6217 -8.6217 1.1625 1.1625 2.4024 2.4024 k = 0.0000 0.3542-0.0000 ( 11952 PWs) bands (ev): -27.6211 -27.6211 -27.6105 -27.6105 -27.5998 -27.5998 -27.5946 -27.5946 -27.5850 -27.5850 -27.5813 -27.5813 -27.5740 -27.5740 -27.5740 -27.5740 -9.0878 -9.0878 -9.0732 -9.0732 -8.9619 -8.9619 -8.9568 -8.9568 -8.9537 -8.9537 -8.9056 -8.9056 -8.8921 -8.8921 -8.8728 -8.8728 -8.7989 -8.7989 -8.7766 -8.7766 -8.7619 -8.7619 -8.7578 -8.7578 -8.7483 -8.7483 -8.7434 -8.7434 -8.7340 -8.7340 -8.7320 -8.7320 -8.7092 -8.7092 -8.7015 -8.7015 -8.6809 -8.6809 -8.6757 -8.6757 -8.6682 -8.6682 -8.6620 -8.6620 -8.6320 -8.6320 -8.6223 -8.6223 1.2185 1.2185 2.3051 2.3051 k = 0.0000 0.3750-0.0000 ( 11948 PWs) bands (ev): -27.6203 -27.6203 -27.6111 -27.6111 -27.5992 -27.5992 -27.5947 -27.5947 -27.5851 -27.5851 -27.5819 -27.5819 -27.5740 -27.5740 -27.5740 -27.5740 -9.0875 -9.0875 -9.0746 -9.0746 -8.9612 -8.9612 -8.9566 -8.9566 -8.9434 -8.9434 -8.9057 -8.9057 -8.8864 -8.8864 -8.8714 -8.8714 -8.7973 -8.7973 -8.7830 -8.7830 -8.7664 -8.7664 -8.7622 -8.7622 -8.7470 -8.7470 -8.7461 -8.7461 -8.7354 -8.7354 -8.7351 -8.7351 -8.7079 -8.7079 -8.7013 -8.7013 -8.6801 -8.6801 -8.6763 -8.6763 -8.6678 -8.6678 -8.6621 -8.6621 -8.6315 -8.6315 -8.6230 -8.6230 1.2775 1.2775 2.2101 2.2101 k = 0.0000 0.3958-0.0000 ( 11952 PWs) bands (ev): -27.6195 -27.6195 -27.6117 -27.6117 -27.5986 -27.5986 -27.5948 -27.5948 -27.5852 -27.5852 -27.5825 -27.5825 -27.5740 -27.5740 -27.5740 -27.5740 -9.0870 -9.0870 -9.0760 -9.0760 -8.9605 -8.9605 -8.9565 -8.9565 -8.9332 -8.9332 -8.9056 -8.9056 -8.8830 -8.8830 -8.8667 -8.8667 -8.8022 -8.8022 -8.7838 -8.7838 -8.7753 -8.7753 -8.7624 -8.7624 -8.7488 -8.7488 -8.7458 -8.7458 -8.7390 -8.7390 -8.7359 -8.7359 -8.7067 -8.7067 -8.7012 -8.7012 -8.6794 -8.6794 -8.6769 -8.6769 -8.6674 -8.6674 -8.6622 -8.6622 -8.6309 -8.6309 -8.6237 -8.6237 1.3396 1.3396 2.1177 2.1177 k = 0.0000 0.4167-0.0000 ( 11984 PWs) bands (ev): -27.6187 -27.6187 -27.6124 -27.6124 -27.5980 -27.5980 -27.5950 -27.5950 -27.5852 -27.5852 -27.5831 -27.5831 -27.5740 -27.5740 -27.5740 -27.5740 -9.0865 -9.0865 -9.0775 -9.0775 -8.9599 -8.9599 -8.9565 -8.9565 -8.9236 -8.9236 -8.9054 -8.9054 -8.8808 -8.8808 -8.8596 -8.8596 -8.8115 -8.8115 -8.7862 -8.7862 -8.7790 -8.7790 -8.7623 -8.7623 -8.7511 -8.7511 -8.7450 -8.7450 -8.7424 -8.7424 -8.7366 -8.7366 -8.7056 -8.7056 -8.7011 -8.7011 -8.6788 -8.6788 -8.6772 -8.6772 -8.6669 -8.6669 -8.6625 -8.6625 -8.6303 -8.6303 -8.6244 -8.6244 1.4047 1.4047 2.0277 2.0277 k = 0.0000 0.4375-0.0000 ( 11980 PWs) bands (ev): -27.6179 -27.6179 -27.6131 -27.6131 -27.5974 -27.5974 -27.5951 -27.5951 -27.5852 -27.5852 -27.5836 -27.5836 -27.5740 -27.5740 -27.5740 -27.5740 -9.0857 -9.0857 -9.0789 -9.0789 -8.9593 -8.9593 -8.9566 -8.9566 -8.9155 -8.9155 -8.9051 -8.9051 -8.8778 -8.8778 -8.8512 -8.8512 -8.8221 -8.8221 -8.7952 -8.7952 -8.7752 -8.7752 -8.7621 -8.7621 -8.7531 -8.7531 -8.7471 -8.7471 -8.7430 -8.7430 -8.7373 -8.7373 -8.7046 -8.7046 -8.7012 -8.7012 -8.6784 -8.6784 -8.6775 -8.6775 -8.6663 -8.6663 -8.6629 -8.6629 -8.6296 -8.6296 -8.6252 -8.6252 1.4728 1.4728 1.9404 1.9404 k = 0.0000 0.4583-0.0000 ( 11984 PWs) bands (ev): -27.6171 -27.6171 -27.6139 -27.6139 -27.5969 -27.5969 -27.5954 -27.5954 -27.5851 -27.5851 -27.5840 -27.5840 -27.5740 -27.5740 -27.5740 -27.5740 -9.0849 -9.0849 -9.0803 -9.0803 -8.9587 -8.9587 -8.9569 -8.9569 -8.9098 -8.9098 -8.9048 -8.9048 -8.8725 -8.8725 -8.8424 -8.8424 -8.8332 -8.8332 -8.8048 -8.8048 -8.7709 -8.7709 -8.7618 -8.7618 -8.7548 -8.7548 -8.7509 -8.7509 -8.7420 -8.7420 -8.7381 -8.7381 -8.7037 -8.7037 -8.7015 -8.7015 -8.6782 -8.6782 -8.6776 -8.6776 -8.6657 -8.6657 -8.6633 -8.6633 -8.6289 -8.6289 -8.6259 -8.6259 1.5437 1.5437 1.8556 1.8556 k = 0.0000 0.4792-0.0000 ( 11980 PWs) bands (ev): -27.6162 -27.6162 -27.6147 -27.6147 -27.5965 -27.5965 -27.5957 -27.5957 -27.5849 -27.5849 -27.5844 -27.5844 -27.5740 -27.5740 -27.5740 -27.5740 -9.0839 -9.0839 -9.0816 -9.0816 -8.9582 -8.9582 -8.9572 -8.9572 -8.9066 -8.9066 -8.9048 -8.9048 -8.8647 -8.8647 -8.8443 -8.8443 -8.8332 -8.8332 -8.8143 -8.8143 -8.7667 -8.7667 -8.7618 -8.7618 -8.7560 -8.7560 -8.7543 -8.7543 -8.7410 -8.7410 -8.7390 -8.7390 -8.7030 -8.7030 -8.7018 -8.7018 -8.6780 -8.6780 -8.6778 -8.6778 -8.6651 -8.6651 -8.6639 -8.6639 -8.6282 -8.6282 -8.6267 -8.6267 1.6176 1.6176 1.7735 1.7735 k = 0.0000 0.5000-0.0000 ( 11948 PWs) bands (ev): -27.6154 -27.6154 -27.6154 -27.6154 -27.5960 -27.5960 -27.5960 -27.5960 -27.5847 -27.5847 -27.5847 -27.5847 -27.5740 -27.5740 -27.5740 -27.5740 -9.0828 -9.0828 -9.0828 -9.0828 -8.9577 -8.9577 -8.9577 -8.9577 -8.9052 -8.9052 -8.9052 -8.9052 -8.8550 -8.8550 -8.8550 -8.8550 -8.8238 -8.8238 -8.8238 -8.8238 -8.7633 -8.7633 -8.7633 -8.7633 -8.7562 -8.7562 -8.7562 -8.7562 -8.7400 -8.7400 -8.7400 -8.7400 -8.7023 -8.7023 -8.7023 -8.7023 -8.6779 -8.6779 -8.6779 -8.6779 -8.6644 -8.6644 -8.6644 -8.6644 -8.6274 -8.6274 -8.6274 -8.6274 1.6942 1.6942 1.6942 1.6942 k = 0.0000 0.5000-0.0000 ( 11948 PWs) bands (ev): -27.6154 -27.6154 -27.6154 -27.6154 -27.5960 -27.5960 -27.5960 -27.5960 -27.5847 -27.5847 -27.5847 -27.5847 -27.5740 -27.5740 -27.5740 -27.5740 -9.0828 -9.0828 -9.0828 -9.0828 -8.9577 -8.9577 -8.9577 -8.9577 -8.9052 -8.9052 -8.9052 -8.9052 -8.8550 -8.8550 -8.8550 -8.8550 -8.8238 -8.8238 -8.8238 -8.8238 -8.7633 -8.7633 -8.7633 -8.7633 -8.7562 -8.7562 -8.7562 -8.7562 -8.7400 -8.7400 -8.7400 -8.7400 -8.7023 -8.7023 -8.7023 -8.7023 -8.6779 -8.6779 -8.6779 -8.6779 -8.6644 -8.6644 -8.6644 -8.6644 -8.6274 -8.6274 -8.6274 -8.6274 1.6942 1.6942 1.6942 1.6942 k = 0.0208 0.5000-0.0000 ( 11980 PWs) bands (ev): -27.6154 -27.6154 -27.6154 -27.6154 -27.5961 -27.5961 -27.5960 -27.5960 -27.5847 -27.5847 -27.5847 -27.5847 -27.5740 -27.5740 -27.5740 -27.5740 -9.0829 -9.0829 -9.0824 -9.0824 -8.9576 -8.9576 -8.9574 -8.9574 -8.9062 -8.9062 -8.9042 -8.9042 -8.8563 -8.8563 -8.8536 -8.8536 -8.8239 -8.8239 -8.8238 -8.8238 -8.7642 -8.7642 -8.7628 -8.7628 -8.7569 -8.7569 -8.7557 -8.7557 -8.7404 -8.7404 -8.7389 -8.7389 -8.7024 -8.7024 -8.7022 -8.7022 -8.6781 -8.6781 -8.6778 -8.6778 -8.6648 -8.6648 -8.6643 -8.6643 -8.6279 -8.6279 -8.6273 -8.6273 1.6958 1.6958 1.6958 1.6958 k = 0.0417 0.5000-0.0000 ( 11968 PWs) bands (ev): -27.6154 -27.6154 -27.6153 -27.6153 -27.5961 -27.5961 -27.5960 -27.5960 -27.5848 -27.5848 -27.5847 -27.5847 -27.5741 -27.5741 -27.5740 -27.5740 -9.0831 -9.0831 -9.0811 -9.0811 -8.9573 -8.9573 -8.9568 -8.9568 -8.9072 -8.9072 -8.9034 -8.9034 -8.8574 -8.8574 -8.8521 -8.8521 -8.8240 -8.8240 -8.8238 -8.8238 -8.7652 -8.7652 -8.7625 -8.7625 -8.7586 -8.7586 -8.7549 -8.7549 -8.7403 -8.7403 -8.7373 -8.7373 -8.7025 -8.7025 -8.7020 -8.7020 -8.6785 -8.6785 -8.6778 -8.6778 -8.6654 -8.6654 -8.6643 -8.6643 -8.6288 -8.6288 -8.6274 -8.6274 1.7006 1.7006 1.7007 1.7007 k = 0.0625 0.5000-0.0000 ( 11976 PWs) bands (ev): -27.6153 -27.6153 -27.6151 -27.6151 -27.5962 -27.5962 -27.5959 -27.5959 -27.5849 -27.5849 -27.5847 -27.5847 -27.5743 -27.5743 -27.5740 -27.5740 -9.0836 -9.0836 -9.0791 -9.0791 -8.9568 -8.9568 -8.9557 -8.9557 -8.9084 -8.9084 -8.9027 -8.9027 -8.8584 -8.8584 -8.8504 -8.8504 -8.8242 -8.8242 -8.8239 -8.8239 -8.7665 -8.7665 -8.7625 -8.7625 -8.7609 -8.7609 -8.7536 -8.7536 -8.7399 -8.7399 -8.7354 -8.7354 -8.7026 -8.7026 -8.7018 -8.7018 -8.6791 -8.6791 -8.6781 -8.6781 -8.6662 -8.6662 -8.6645 -8.6645 -8.6304 -8.6304 -8.6277 -8.6277 1.7087 1.7087 1.7088 1.7088 k = 0.0833 0.5000-0.0000 ( 11966 PWs) bands (ev): -27.6152 -27.6152 -27.6148 -27.6148 -27.5963 -27.5963 -27.5957 -27.5957 -27.5851 -27.5851 -27.5847 -27.5847 -27.5745 -27.5745 -27.5740 -27.5740 -9.0841 -9.0841 -9.0763 -9.0763 -8.9561 -8.9561 -8.9543 -8.9543 -8.9096 -8.9096 -8.9021 -8.9021 -8.8594 -8.8594 -8.8487 -8.8487 -8.8245 -8.8245 -8.8241 -8.8241 -8.7680 -8.7680 -8.7636 -8.7636 -8.7625 -8.7625 -8.7522 -8.7522 -8.7393 -8.7393 -8.7333 -8.7333 -8.7026 -8.7026 -8.7015 -8.7015 -8.6799 -8.6799 -8.6785 -8.6785 -8.6673 -8.6673 -8.6648 -8.6648 -8.6324 -8.6324 -8.6280 -8.6280 1.7200 1.7200 1.7202 1.7202 k = 0.1042 0.5000-0.0000 ( 11954 PWs) bands (ev): -27.6150 -27.6150 -27.6145 -27.6145 -27.5964 -27.5964 -27.5956 -27.5956 -27.5853 -27.5853 -27.5848 -27.5848 -27.5748 -27.5748 -27.5740 -27.5740 -9.0849 -9.0849 -9.0726 -9.0726 -8.9552 -8.9552 -8.9526 -8.9526 -8.9108 -8.9108 -8.9016 -8.9016 -8.8602 -8.8602 -8.8469 -8.8469 -8.8248 -8.8248 -8.8243 -8.8243 -8.7698 -8.7698 -8.7660 -8.7660 -8.7627 -8.7627 -8.7506 -8.7506 -8.7385 -8.7385 -8.7311 -8.7311 -8.7026 -8.7026 -8.7012 -8.7012 -8.6809 -8.6809 -8.6792 -8.6792 -8.6686 -8.6686 -8.6651 -8.6651 -8.6349 -8.6349 -8.6284 -8.6284 1.7346 1.7346 1.7348 1.7348 k = 0.1250 0.5000-0.0000 ( 11948 PWs) bands (ev): -27.6149 -27.6149 -27.6141 -27.6141 -27.5966 -27.5966 -27.5954 -27.5954 -27.5856 -27.5856 -27.5848 -27.5848 -27.5751 -27.5751 -27.5740 -27.5740 -9.0857 -9.0857 -9.0682 -9.0682 -8.9542 -8.9542 -8.9505 -8.9505 -8.9121 -8.9121 -8.9011 -8.9011 -8.8609 -8.8609 -8.8451 -8.8451 -8.8251 -8.8251 -8.8244 -8.8244 -8.7724 -8.7724 -8.7679 -8.7679 -8.7629 -8.7629 -8.7490 -8.7490 -8.7375 -8.7375 -8.7291 -8.7291 -8.7026 -8.7026 -8.7009 -8.7009 -8.6822 -8.6822 -8.6802 -8.6802 -8.6701 -8.6701 -8.6654 -8.6654 -8.6376 -8.6376 -8.6289 -8.6289 1.7523 1.7523 1.7527 1.7527 k = 0.1458 0.5000-0.0000 ( 11964 PWs) bands (ev): -27.6146 -27.6146 -27.6137 -27.6137 -27.5968 -27.5968 -27.5951 -27.5951 -27.5859 -27.5859 -27.5848 -27.5848 -27.5755 -27.5755 -27.5740 -27.5740 -9.0866 -9.0866 -9.0631 -9.0631 -8.9529 -8.9529 -8.9480 -8.9480 -8.9134 -8.9134 -8.9008 -8.9008 -8.8615 -8.8615 -8.8435 -8.8435 -8.8256 -8.8256 -8.8243 -8.8243 -8.7756 -8.7756 -8.7692 -8.7692 -8.7631 -8.7631 -8.7474 -8.7474 -8.7365 -8.7365 -8.7271 -8.7271 -8.7026 -8.7026 -8.7006 -8.7006 -8.6840 -8.6840 -8.6815 -8.6815 -8.6718 -8.6718 -8.6657 -8.6657 -8.6406 -8.6406 -8.6294 -8.6294 1.7732 1.7732 1.7737 1.7737 k = 0.1667 0.5000-0.0000 ( 11960 PWs) bands (ev): -27.6144 -27.6144 -27.6132 -27.6132 -27.5970 -27.5970 -27.5949 -27.5949 -27.5862 -27.5862 -27.5848 -27.5848 -27.5759 -27.5759 -27.5740 -27.5740 -9.0877 -9.0877 -9.0572 -9.0572 -8.9516 -8.9516 -8.9453 -8.9453 -8.9147 -8.9147 -8.9005 -8.9005 -8.8620 -8.8620 -8.8421 -8.8421 -8.8261 -8.8261 -8.8237 -8.8237 -8.7790 -8.7790 -8.7703 -8.7703 -8.7634 -8.7634 -8.7459 -8.7459 -8.7354 -8.7354 -8.7253 -8.7253 -8.7025 -8.7025 -8.7003 -8.7003 -8.6864 -8.6864 -8.6832 -8.6832 -8.6737 -8.6737 -8.6658 -8.6658 -8.6436 -8.6436 -8.6300 -8.6300 1.7973 1.7973 1.7979 1.7979 k = 0.1875 0.5000-0.0000 ( 11974 PWs) bands (ev): -27.6142 -27.6142 -27.6126 -27.6126 -27.5972 -27.5972 -27.5946 -27.5946 -27.5866 -27.5866 -27.5848 -27.5848 -27.5764 -27.5764 -27.5740 -27.5740 -9.0888 -9.0888 -9.0506 -9.0506 -8.9500 -8.9500 -8.9424 -8.9424 -8.9160 -8.9160 -8.9002 -8.9002 -8.8625 -8.8625 -8.8412 -8.8412 -8.8268 -8.8268 -8.8227 -8.8227 -8.7825 -8.7825 -8.7713 -8.7713 -8.7637 -8.7637 -8.7444 -8.7444 -8.7343 -8.7343 -8.7237 -8.7237 -8.7025 -8.7025 -8.7001 -8.7001 -8.6894 -8.6894 -8.6849 -8.6849 -8.6758 -8.6758 -8.6657 -8.6657 -8.6465 -8.6465 -8.6306 -8.6306 1.8246 1.8246 1.8253 1.8253 k = 0.2083 0.5000-0.0000 ( 11966 PWs) bands (ev): -27.6139 -27.6139 -27.6119 -27.6119 -27.5975 -27.5975 -27.5942 -27.5942 -27.5871 -27.5871 -27.5848 -27.5848 -27.5769 -27.5769 -27.5740 -27.5740 -9.0899 -9.0899 -9.0433 -9.0433 -8.9484 -8.9484 -8.9393 -8.9393 -8.9173 -8.9173 -8.8999 -8.8999 -8.8629 -8.8629 -8.8409 -8.8409 -8.8275 -8.8275 -8.8210 -8.8210 -8.7860 -8.7860 -8.7722 -8.7722 -8.7639 -8.7639 -8.7430 -8.7430 -8.7333 -8.7333 -8.7223 -8.7223 -8.7026 -8.7026 -8.7001 -8.7001 -8.6931 -8.6931 -8.6868 -8.6868 -8.6779 -8.6779 -8.6656 -8.6656 -8.6491 -8.6491 -8.6312 -8.6312 1.8550 1.8550 1.8559 1.8559 k = 0.2292 0.5000-0.0000 ( 11962 PWs) bands (ev): -27.6136 -27.6136 -27.6112 -27.6112 -27.5977 -27.5977 -27.5939 -27.5939 -27.5876 -27.5876 -27.5849 -27.5849 -27.5775 -27.5775 -27.5740 -27.5740 -9.0910 -9.0910 -9.0354 -9.0354 -8.9466 -8.9466 -8.9360 -8.9360 -8.9185 -8.9185 -8.8997 -8.8997 -8.8633 -8.8633 -8.8411 -8.8411 -8.8284 -8.8284 -8.8188 -8.8188 -8.7895 -8.7895 -8.7731 -8.7731 -8.7641 -8.7641 -8.7417 -8.7417 -8.7324 -8.7324 -8.7211 -8.7211 -8.7028 -8.7028 -8.7009 -8.7009 -8.6970 -8.6970 -8.6884 -8.6884 -8.6802 -8.6802 -8.6653 -8.6653 -8.6514 -8.6514 -8.6319 -8.6319 1.8885 1.8885 1.8896 1.8896 k = 0.2500 0.5000-0.0000 ( 11946 PWs) bands (ev): -27.6133 -27.6133 -27.6105 -27.6105 -27.5980 -27.5980 -27.5935 -27.5935 -27.5881 -27.5881 -27.5849 -27.5849 -27.5781 -27.5781 -27.5740 -27.5740 -9.0922 -9.0922 -9.0269 -9.0269 -8.9447 -8.9447 -8.9326 -8.9326 -8.9197 -8.9197 -8.8994 -8.8994 -8.8638 -8.8638 -8.8417 -8.8417 -8.8295 -8.8295 -8.8162 -8.8162 -8.7928 -8.7928 -8.7741 -8.7741 -8.7642 -8.7642 -8.7406 -8.7406 -8.7316 -8.7316 -8.7202 -8.7202 -8.7038 -8.7038 -8.7031 -8.7031 -8.6995 -8.6995 -8.6898 -8.6898 -8.6825 -8.6825 -8.6649 -8.6649 -8.6532 -8.6532 -8.6325 -8.6325 1.9250 1.9250 1.9264 1.9264 k = 0.2708 0.5000-0.0000 ( 11968 PWs) bands (ev): -27.6129 -27.6129 -27.6097 -27.6097 -27.5984 -27.5984 -27.5931 -27.5931 -27.5887 -27.5887 -27.5849 -27.5849 -27.5787 -27.5787 -27.5740 -27.5740 -9.0933 -9.0933 -9.0179 -9.0179 -8.9428 -8.9428 -8.9294 -8.9294 -8.9206 -8.9206 -8.8990 -8.8990 -8.8643 -8.8643 -8.8426 -8.8426 -8.8308 -8.8308 -8.8133 -8.8133 -8.7959 -8.7959 -8.7753 -8.7753 -8.7642 -8.7642 -8.7396 -8.7396 -8.7310 -8.7310 -8.7200 -8.7200 -8.7080 -8.7080 -8.7038 -8.7038 -8.7010 -8.7010 -8.6907 -8.6907 -8.6846 -8.6846 -8.6644 -8.6644 -8.6547 -8.6547 -8.6332 -8.6332 1.9647 1.9647 1.9662 1.9662 k = 0.2917 0.5000-0.0000 ( 11976 PWs) bands (ev): -27.6126 -27.6126 -27.6089 -27.6089 -27.5987 -27.5987 -27.5926 -27.5926 -27.5894 -27.5894 -27.5849 -27.5849 -27.5794 -27.5794 -27.5740 -27.5740 -9.0944 -9.0944 -9.0084 -9.0084 -8.9408 -8.9408 -8.9268 -8.9268 -8.9207 -8.9207 -8.8986 -8.8986 -8.8650 -8.8650 -8.8437 -8.8437 -8.8324 -8.8324 -8.8102 -8.8102 -8.7987 -8.7987 -8.7767 -8.7767 -8.7641 -8.7641 -8.7389 -8.7389 -8.7309 -8.7309 -8.7211 -8.7211 -8.7113 -8.7113 -8.7049 -8.7049 -8.7026 -8.7026 -8.6911 -8.6911 -8.6866 -8.6866 -8.6639 -8.6639 -8.6559 -8.6559 -8.6339 -8.6339 2.0074 2.0074 2.0091 2.0091 k = 0.3125 0.5000-0.0000 ( 11976 PWs) bands (ev): -27.6123 -27.6123 -27.6080 -27.6080 -27.5990 -27.5990 -27.5922 -27.5922 -27.5900 -27.5900 -27.5849 -27.5849 -27.5801 -27.5801 -27.5740 -27.5740 -9.0954 -9.0954 -8.9984 -8.9984 -8.9388 -8.9388 -8.9259 -8.9259 -8.9190 -8.9190 -8.8982 -8.8982 -8.8660 -8.8660 -8.8450 -8.8450 -8.8343 -8.8343 -8.8072 -8.8072 -8.8010 -8.8010 -8.7783 -8.7783 -8.7638 -8.7638 -8.7383 -8.7383 -8.7318 -8.7318 -8.7233 -8.7233 -8.7128 -8.7128 -8.7064 -8.7064 -8.7044 -8.7044 -8.6913 -8.6913 -8.6881 -8.6881 -8.6634 -8.6634 -8.6568 -8.6568 -8.6345 -8.6345 2.0530 2.0530 2.0550 2.0550 k = 0.3333 0.5000-0.0000 ( 11976 PWs) bands (ev): -27.6119 -27.6119 -27.6071 -27.6071 -27.5993 -27.5993 -27.5917 -27.5917 -27.5908 -27.5908 -27.5849 -27.5849 -27.5807 -27.5807 -27.5740 -27.5740 -9.0964 -9.0964 -8.9881 -8.9881 -8.9368 -8.9368 -8.9263 -8.9263 -8.9159 -8.9159 -8.8976 -8.8976 -8.8671 -8.8671 -8.8464 -8.8464 -8.8368 -8.8368 -8.8050 -8.8050 -8.8023 -8.8023 -8.7803 -8.7803 -8.7632 -8.7632 -8.7379 -8.7379 -8.7344 -8.7344 -8.7250 -8.7250 -8.7135 -8.7135 -8.7084 -8.7084 -8.7062 -8.7062 -8.6913 -8.6913 -8.6890 -8.6890 -8.6628 -8.6628 -8.6575 -8.6575 -8.6351 -8.6351 2.1017 2.1017 2.1039 2.1039 k = 0.3542 0.5000-0.0000 ( 11984 PWs) bands (ev): -27.6116 -27.6116 -27.6062 -27.6062 -27.5997 -27.5997 -27.5916 -27.5916 -27.5912 -27.5912 -27.5850 -27.5850 -27.5814 -27.5814 -27.5740 -27.5740 -9.0973 -9.0973 -8.9775 -8.9775 -8.9349 -8.9349 -8.9270 -8.9270 -8.9124 -8.9124 -8.8971 -8.8971 -8.8686 -8.8686 -8.8479 -8.8479 -8.8399 -8.8399 -8.8054 -8.8054 -8.8006 -8.8006 -8.7827 -8.7827 -8.7625 -8.7625 -8.7381 -8.7381 -8.7375 -8.7375 -8.7257 -8.7257 -8.7145 -8.7145 -8.7107 -8.7107 -8.7075 -8.7075 -8.6914 -8.6914 -8.6894 -8.6894 -8.6622 -8.6622 -8.6580 -8.6580 -8.6357 -8.6357 2.1533 2.1533 2.1557 2.1557 k = 0.3750 0.5000-0.0000 ( 11992 PWs) bands (ev): -27.6113 -27.6113 -27.6052 -27.6052 -27.6000 -27.6000 -27.5923 -27.5923 -27.5907 -27.5907 -27.5850 -27.5850 -27.5821 -27.5821 -27.5740 -27.5740 -9.0981 -9.0981 -8.9668 -8.9668 -8.9330 -8.9330 -8.9278 -8.9278 -8.9087 -8.9087 -8.8964 -8.8964 -8.8704 -8.8704 -8.8499 -8.8499 -8.8433 -8.8433 -8.8064 -8.8064 -8.7982 -8.7982 -8.7852 -8.7852 -8.7616 -8.7616 -8.7414 -8.7414 -8.7374 -8.7374 -8.7260 -8.7260 -8.7162 -8.7162 -8.7130 -8.7130 -8.7080 -8.7080 -8.6916 -8.6916 -8.6893 -8.6893 -8.6617 -8.6617 -8.6583 -8.6583 -8.6363 -8.6363 2.2077 2.2077 2.2105 2.2105 k = 0.3958 0.5000-0.0000 ( 11990 PWs) bands (ev): -27.6110 -27.6110 -27.6043 -27.6043 -27.6002 -27.6002 -27.5931 -27.5931 -27.5902 -27.5902 -27.5850 -27.5850 -27.5827 -27.5827 -27.5740 -27.5740 -9.0988 -9.0988 -8.9562 -8.9562 -8.9311 -8.9311 -8.9285 -8.9285 -8.9051 -8.9051 -8.8958 -8.8958 -8.8725 -8.8725 -8.8530 -8.8530 -8.8465 -8.8465 -8.8072 -8.8072 -8.7961 -8.7961 -8.7877 -8.7877 -8.7607 -8.7607 -8.7439 -8.7439 -8.7374 -8.7374 -8.7264 -8.7264 -8.7189 -8.7189 -8.7147 -8.7147 -8.7081 -8.7081 -8.6917 -8.6917 -8.6891 -8.6891 -8.6613 -8.6613 -8.6585 -8.6585 -8.6368 -8.6368 2.2651 2.2651 2.2680 2.2680 k = 0.4167 0.5000-0.0000 ( 11978 PWs) bands (ev): -27.6107 -27.6107 -27.6034 -27.6034 -27.6005 -27.6005 -27.5939 -27.5939 -27.5896 -27.5896 -27.5850 -27.5850 -27.5834 -27.5834 -27.5740 -27.5740 -9.0993 -9.0993 -8.9461 -8.9461 -8.9293 -8.9293 -8.9287 -8.9287 -8.9015 -8.9015 -8.8950 -8.8950 -8.8748 -8.8748 -8.8581 -8.8581 -8.8486 -8.8486 -8.8078 -8.8078 -8.7943 -8.7943 -8.7899 -8.7899 -8.7599 -8.7599 -8.7452 -8.7452 -8.7374 -8.7374 -8.7268 -8.7268 -8.7223 -8.7223 -8.7159 -8.7159 -8.7079 -8.7079 -8.6918 -8.6918 -8.6889 -8.6889 -8.6609 -8.6609 -8.6586 -8.6586 -8.6372 -8.6372 2.3253 2.3253 2.3285 2.3285 k = 0.4375 0.5000-0.0000 ( 11978 PWs) bands (ev): -27.6105 -27.6105 -27.6025 -27.6025 -27.6007 -27.6007 -27.5947 -27.5947 -27.5891 -27.5891 -27.5850 -27.5850 -27.5840 -27.5840 -27.5740 -27.5740 -9.0998 -9.0998 -8.9378 -8.9378 -8.9296 -8.9296 -8.9254 -8.9254 -8.8981 -8.8981 -8.8942 -8.8942 -8.8773 -8.8773 -8.8647 -8.8647 -8.8499 -8.8499 -8.8083 -8.8083 -8.7932 -8.7932 -8.7914 -8.7914 -8.7595 -8.7595 -8.7451 -8.7451 -8.7375 -8.7375 -8.7273 -8.7273 -8.7258 -8.7258 -8.7167 -8.7167 -8.7077 -8.7077 -8.6918 -8.6918 -8.6886 -8.6886 -8.6607 -8.6607 -8.6585 -8.6585 -8.6375 -8.6375 2.3883 2.3883 2.3917 2.3917 k = 0.4583 0.5000-0.0000 ( 11964 PWs) bands (ev): -27.6103 -27.6103 -27.6018 -27.6018 -27.6009 -27.6009 -27.5954 -27.5954 -27.5887 -27.5887 -27.5850 -27.5850 -27.5845 -27.5845 -27.5740 -27.5740 -9.1001 -9.1001 -8.9334 -8.9334 -8.9298 -8.9298 -8.9193 -8.9193 -8.8951 -8.8951 -8.8930 -8.8930 -8.8800 -8.8800 -8.8721 -8.8721 -8.8508 -8.8508 -8.8087 -8.8087 -8.7930 -8.7930 -8.7917 -8.7917 -8.7595 -8.7595 -8.7438 -8.7438 -8.7376 -8.7376 -8.7293 -8.7293 -8.7278 -8.7278 -8.7172 -8.7172 -8.7075 -8.7075 -8.6918 -8.6918 -8.6885 -8.6885 -8.6605 -8.6605 -8.6585 -8.6585 -8.6378 -8.6378 2.4540 2.4540 2.4576 2.4576 k = 0.4792 0.5000-0.0000 ( 11944 PWs) bands (ev): -27.6102 -27.6102 -27.6012 -27.6012 -27.6010 -27.6010 -27.5959 -27.5959 -27.5883 -27.5883 -27.5850 -27.5850 -27.5849 -27.5849 -27.5740 -27.5740 -9.1003 -9.1003 -8.9320 -8.9320 -8.9297 -8.9297 -8.9126 -8.9126 -8.8926 -8.8926 -8.8911 -8.8911 -8.8831 -8.8831 -8.8790 -8.8790 -8.8513 -8.8513 -8.8089 -8.8089 -8.7934 -8.7934 -8.7914 -8.7914 -8.7596 -8.7596 -8.7417 -8.7417 -8.7380 -8.7380 -8.7323 -8.7323 -8.7281 -8.7281 -8.7174 -8.7174 -8.7073 -8.7073 -8.6918 -8.6918 -8.6884 -8.6884 -8.6605 -8.6605 -8.6584 -8.6584 -8.6380 -8.6380 2.5225 2.5225 2.5263 2.5263 k = 0.5000 0.5000-0.0000 ( 11920 PWs) bands (ev): -27.6102 -27.6102 -27.6010 -27.6010 -27.6010 -27.6010 -27.5961 -27.5961 -27.5882 -27.5882 -27.5850 -27.5850 -27.5850 -27.5850 -27.5740 -27.5740 -9.1004 -9.1004 -8.9317 -8.9317 -8.9296 -8.9296 -8.9096 -8.9096 -8.8905 -8.8905 -8.8897 -8.8897 -8.8863 -8.8863 -8.8819 -8.8819 -8.8515 -8.8515 -8.8091 -8.8091 -8.7936 -8.7936 -8.7912 -8.7912 -8.7597 -8.7597 -8.7399 -8.7399 -8.7389 -8.7389 -8.7336 -8.7336 -8.7282 -8.7282 -8.7175 -8.7175 -8.7073 -8.7073 -8.6918 -8.6918 -8.6883 -8.6883 -8.6604 -8.6604 -8.6584 -8.6584 -8.6380 -8.6380 2.5923 2.5923 2.5950 2.5951 k = 0.5000 0.5000-0.0000 ( 11920 PWs) bands (ev): -27.6102 -27.6102 -27.6010 -27.6010 -27.6010 -27.6010 -27.5961 -27.5961 -27.5882 -27.5882 -27.5850 -27.5850 -27.5850 -27.5850 -27.5740 -27.5740 -9.1004 -9.1004 -8.9317 -8.9317 -8.9296 -8.9296 -8.9096 -8.9096 -8.8905 -8.8905 -8.8897 -8.8897 -8.8863 -8.8863 -8.8819 -8.8819 -8.8515 -8.8515 -8.8091 -8.8091 -8.7936 -8.7936 -8.7912 -8.7912 -8.7597 -8.7597 -8.7399 -8.7399 -8.7389 -8.7389 -8.7336 -8.7336 -8.7282 -8.7282 -8.7175 -8.7175 -8.7073 -8.7073 -8.6918 -8.6918 -8.6883 -8.6883 -8.6604 -8.6604 -8.6584 -8.6584 -8.6380 -8.6380 2.5923 2.5924 2.5950 2.5951 k = 0.4853 0.4853-0.0000 ( 11940 PWs) bands (ev): -27.6102 -27.6102 -27.6012 -27.6012 -27.6010 -27.6010 -27.5959 -27.5959 -27.5883 -27.5883 -27.5850 -27.5850 -27.5849 -27.5849 -27.5740 -27.5740 -9.1003 -9.1003 -8.9319 -8.9319 -8.9298 -8.9298 -8.9125 -8.9125 -8.8941 -8.8941 -8.8898 -8.8898 -8.8826 -8.8826 -8.8795 -8.8795 -8.8513 -8.8513 -8.8089 -8.8089 -8.7934 -8.7934 -8.7914 -8.7914 -8.7596 -8.7596 -8.7418 -8.7418 -8.7379 -8.7379 -8.7323 -8.7323 -8.7281 -8.7281 -8.7174 -8.7174 -8.7073 -8.7073 -8.6918 -8.6918 -8.6884 -8.6884 -8.6605 -8.6605 -8.6584 -8.6584 -8.6380 -8.6380 2.4943 2.4943 2.5966 2.5966 k = 0.4706 0.4706-0.0000 ( 11950 PWs) bands (ev): -27.6104 -27.6104 -27.6016 -27.6016 -27.6010 -27.6010 -27.5954 -27.5954 -27.5887 -27.5887 -27.5849 -27.5849 -27.5845 -27.5845 -27.5740 -27.5740 -9.1001 -9.1001 -8.9327 -8.9327 -8.9302 -8.9302 -8.9188 -8.9188 -8.8997 -8.8997 -8.8903 -8.8903 -8.8766 -8.8766 -8.8747 -8.8747 -8.8506 -8.8506 -8.8086 -8.8086 -8.7930 -8.7930 -8.7918 -8.7918 -8.7594 -8.7594 -8.7445 -8.7445 -8.7367 -8.7367 -8.7298 -8.7298 -8.7277 -8.7277 -8.7172 -8.7172 -8.7075 -8.7075 -8.6918 -8.6918 -8.6885 -8.6885 -8.6605 -8.6605 -8.6585 -8.6585 -8.6378 -8.6378 2.3952 2.3952 2.6011 2.6011 k = 0.4559 0.4559-0.0000 ( 11972 PWs) bands (ev): -27.6105 -27.6105 -27.6023 -27.6023 -27.6010 -27.6010 -27.5946 -27.5946 -27.5891 -27.5891 -27.5849 -27.5849 -27.5841 -27.5841 -27.5740 -27.5740 -9.0998 -9.0998 -8.9341 -8.9341 -8.9318 -8.9318 -8.9252 -8.9252 -8.9051 -8.9051 -8.8916 -8.8916 -8.8722 -8.8722 -8.8679 -8.8679 -8.8491 -8.8491 -8.8082 -8.8082 -8.7925 -8.7925 -8.7921 -8.7921 -8.7589 -8.7589 -8.7471 -8.7471 -8.7352 -8.7352 -8.7280 -8.7280 -8.7261 -8.7261 -8.7167 -8.7167 -8.7077 -8.7077 -8.6918 -8.6918 -8.6887 -8.6887 -8.6606 -8.6606 -8.6586 -8.6586 -8.6375 -8.6375 2.2985 2.2985 2.6087 2.6087 k = 0.4412 0.4412-0.0000 ( 11968 PWs) bands (ev): -27.6108 -27.6108 -27.6029 -27.6029 -27.6010 -27.6010 -27.5938 -27.5938 -27.5897 -27.5897 -27.5847 -27.5847 -27.5836 -27.5836 -27.5740 -27.5740 -9.0994 -9.0994 -8.9374 -8.9374 -8.9360 -8.9360 -8.9285 -8.9285 -8.9100 -8.9100 -8.8935 -8.8935 -8.8700 -8.8700 -8.8607 -8.8607 -8.8460 -8.8460 -8.8076 -8.8076 -8.7931 -8.7931 -8.7910 -8.7910 -8.7582 -8.7582 -8.7495 -8.7495 -8.7335 -8.7335 -8.7272 -8.7272 -8.7234 -8.7234 -8.7157 -8.7157 -8.7080 -8.7080 -8.6918 -8.6918 -8.6889 -8.6889 -8.6608 -8.6608 -8.6587 -8.6587 -8.6372 -8.6372 2.2042 2.2042 2.6193 2.6193 k = 0.4265 0.4265-0.0000 ( 11980 PWs) bands (ev): -27.6112 -27.6112 -27.6035 -27.6035 -27.6010 -27.6010 -27.5930 -27.5930 -27.5902 -27.5902 -27.5846 -27.5846 -27.5830 -27.5830 -27.5740 -27.5740 -9.0988 -9.0988 -8.9449 -8.9449 -8.9391 -8.9391 -8.9299 -8.9299 -8.9138 -8.9138 -8.8957 -8.8957 -8.8697 -8.8697 -8.8544 -8.8544 -8.8409 -8.8409 -8.8070 -8.8070 -8.7937 -8.7937 -8.7894 -8.7894 -8.7573 -8.7573 -8.7513 -8.7513 -8.7318 -8.7318 -8.7266 -8.7266 -8.7210 -8.7210 -8.7141 -8.7141 -8.7083 -8.7083 -8.6919 -8.6919 -8.6892 -8.6892 -8.6610 -8.6610 -8.6589 -8.6589 -8.6367 -8.6367 2.1122 2.1122 2.6328 2.6328 k = 0.4118 0.4118-0.0000 ( 11978 PWs) bands (ev): -27.6116 -27.6116 -27.6041 -27.6041 -27.6010 -27.6010 -27.5921 -27.5921 -27.5908 -27.5908 -27.5844 -27.5844 -27.5825 -27.5825 -27.5740 -27.5740 -9.0981 -9.0981 -8.9530 -8.9530 -8.9431 -8.9431 -8.9315 -8.9315 -8.9162 -8.9162 -8.8983 -8.8983 -8.8710 -8.8710 -8.8496 -8.8496 -8.8340 -8.8340 -8.8064 -8.8064 -8.7943 -8.7943 -8.7875 -8.7875 -8.7564 -8.7564 -8.7522 -8.7522 -8.7302 -8.7302 -8.7259 -8.7259 -8.7192 -8.7192 -8.7117 -8.7117 -8.7086 -8.7086 -8.6919 -8.6919 -8.6896 -8.6896 -8.6612 -8.6612 -8.6591 -8.6591 -8.6362 -8.6362 2.0228 2.0228 2.6494 2.6494 k = 0.3971 0.3971-0.0000 ( 11966 PWs) bands (ev): -27.6122 -27.6122 -27.6046 -27.6046 -27.6010 -27.6010 -27.5913 -27.5913 -27.5913 -27.5913 -27.5842 -27.5842 -27.5819 -27.5819 -27.5740 -27.5740 -9.0973 -9.0973 -8.9611 -8.9611 -8.9478 -8.9478 -8.9333 -8.9333 -8.9174 -8.9174 -8.9010 -8.9010 -8.8734 -8.8734 -8.8461 -8.8461 -8.8262 -8.8262 -8.8058 -8.8058 -8.7947 -8.7947 -8.7850 -8.7850 -8.7558 -8.7558 -8.7516 -8.7516 -8.7291 -8.7291 -8.7247 -8.7247 -8.7178 -8.7178 -8.7094 -8.7094 -8.7083 -8.7083 -8.6919 -8.6919 -8.6899 -8.6899 -8.6614 -8.6614 -8.6592 -8.6592 -8.6356 -8.6356 1.9359 1.9359 2.6690 2.6690 k = 0.3824 0.3824-0.0000 ( 11986 PWs) bands (ev): -27.6129 -27.6129 -27.6050 -27.6050 -27.6010 -27.6010 -27.5918 -27.5918 -27.5905 -27.5905 -27.5839 -27.5839 -27.5814 -27.5814 -27.5740 -27.5740 -9.0964 -9.0964 -8.9690 -8.9690 -8.9531 -8.9531 -8.9354 -8.9354 -8.9177 -8.9177 -8.9038 -8.9038 -8.8766 -8.8766 -8.8440 -8.8440 -8.8180 -8.8180 -8.8050 -8.8050 -8.7952 -8.7952 -8.7821 -8.7821 -8.7554 -8.7554 -8.7498 -8.7498 -8.7288 -8.7288 -8.7232 -8.7232 -8.7167 -8.7167 -8.7094 -8.7094 -8.7054 -8.7054 -8.6919 -8.6919 -8.6902 -8.6902 -8.6616 -8.6616 -8.6594 -8.6594 -8.6350 -8.6350 1.8515 1.8515 2.6916 2.6916 k = 0.3676 0.3676-0.0000 ( 11988 PWs) bands (ev): -27.6136 -27.6136 -27.6053 -27.6053 -27.6010 -27.6010 -27.5923 -27.5923 -27.5897 -27.5897 -27.5836 -27.5836 -27.5808 -27.5808 -27.5740 -27.5740 -9.0955 -9.0955 -8.9769 -8.9769 -8.9587 -8.9587 -8.9376 -8.9376 -8.9175 -8.9175 -8.9066 -8.9066 -8.8804 -8.8804 -8.8431 -8.8431 -8.8102 -8.8102 -8.8036 -8.8036 -8.7957 -8.7957 -8.7786 -8.7786 -8.7547 -8.7547 -8.7473 -8.7473 -8.7289 -8.7289 -8.7215 -8.7215 -8.7159 -8.7159 -8.7095 -8.7095 -8.7022 -8.7022 -8.6920 -8.6920 -8.6903 -8.6903 -8.6619 -8.6619 -8.6595 -8.6595 -8.6343 -8.6343 1.7698 1.7698 2.7172 2.7172 k = 0.3529 0.3529-0.0000 ( 11952 PWs) bands (ev): -27.6145 -27.6145 -27.6056 -27.6056 -27.6011 -27.6011 -27.5928 -27.5928 -27.5890 -27.5890 -27.5832 -27.5832 -27.5803 -27.5803 -27.5740 -27.5740 -9.0944 -9.0944 -8.9845 -8.9845 -8.9644 -8.9644 -8.9398 -8.9398 -8.9171 -8.9171 -8.9093 -8.9093 -8.8847 -8.8847 -8.8433 -8.8433 -8.8049 -8.8049 -8.8008 -8.8008 -8.7949 -8.7949 -8.7748 -8.7748 -8.7535 -8.7535 -8.7444 -8.7444 -8.7292 -8.7292 -8.7199 -8.7199 -8.7151 -8.7151 -8.7094 -8.7094 -8.6993 -8.6993 -8.6921 -8.6921 -8.6901 -8.6901 -8.6621 -8.6621 -8.6596 -8.6596 -8.6336 -8.6336 1.6908 1.6908 2.7457 2.7457 k = 0.3382 0.3382-0.0000 ( 11954 PWs) bands (ev): -27.6153 -27.6153 -27.6058 -27.6058 -27.6012 -27.6012 -27.5932 -27.5932 -27.5884 -27.5884 -27.5828 -27.5828 -27.5798 -27.5798 -27.5740 -27.5740 -9.0933 -9.0933 -8.9920 -8.9920 -8.9701 -8.9701 -8.9420 -8.9420 -8.9171 -8.9171 -8.9113 -8.9113 -8.8892 -8.8892 -8.8443 -8.8443 -8.8041 -8.8041 -8.7980 -8.7980 -8.7898 -8.7898 -8.7708 -8.7708 -8.7518 -8.7518 -8.7413 -8.7413 -8.7295 -8.7295 -8.7188 -8.7188 -8.7141 -8.7141 -8.7091 -8.7091 -8.6971 -8.6971 -8.6921 -8.6921 -8.6891 -8.6891 -8.6622 -8.6622 -8.6596 -8.6596 -8.6328 -8.6328 1.6145 1.6145 2.7771 2.7771 k = 0.3235 0.3235-0.0000 ( 11960 PWs) bands (ev): -27.6162 -27.6162 -27.6059 -27.6059 -27.6013 -27.6013 -27.5936 -27.5936 -27.5878 -27.5878 -27.5823 -27.5823 -27.5793 -27.5793 -27.5740 -27.5740 -9.0922 -9.0922 -8.9992 -8.9992 -8.9758 -8.9758 -8.9441 -8.9441 -8.9185 -8.9185 -8.9119 -8.9119 -8.8940 -8.8940 -8.8459 -8.8459 -8.8055 -8.8055 -8.7954 -8.7954 -8.7825 -8.7825 -8.7669 -8.7669 -8.7497 -8.7497 -8.7385 -8.7385 -8.7296 -8.7296 -8.7183 -8.7183 -8.7127 -8.7127 -8.7088 -8.7088 -8.6960 -8.6960 -8.6918 -8.6918 -8.6873 -8.6873 -8.6624 -8.6624 -8.6596 -8.6596 -8.6321 -8.6321 1.5409 1.5409 2.8115 2.8115 k = 0.3088 0.3088-0.0000 ( 11972 PWs) bands (ev): -27.6171 -27.6171 -27.6060 -27.6060 -27.6015 -27.6015 -27.5939 -27.5939 -27.5873 -27.5873 -27.5818 -27.5818 -27.5788 -27.5788 -27.5740 -27.5740 -9.0911 -9.0911 -9.0062 -9.0062 -8.9812 -8.9812 -8.9462 -8.9462 -8.9209 -8.9209 -8.9113 -8.9113 -8.8989 -8.8989 -8.8478 -8.8478 -8.8077 -8.8077 -8.7924 -8.7924 -8.7750 -8.7750 -8.7631 -8.7631 -8.7472 -8.7472 -8.7366 -8.7366 -8.7290 -8.7290 -8.7183 -8.7183 -8.7109 -8.7109 -8.7083 -8.7083 -8.6959 -8.6959 -8.6914 -8.6914 -8.6846 -8.6846 -8.6626 -8.6626 -8.6595 -8.6595 -8.6313 -8.6313 1.4703 1.4703 2.8487 2.8487 k = 0.2941 0.2941-0.0000 ( 11962 PWs) bands (ev): -27.6180 -27.6180 -27.6061 -27.6061 -27.6017 -27.6017 -27.5941 -27.5941 -27.5868 -27.5868 -27.5813 -27.5813 -27.5783 -27.5783 -27.5740 -27.5740 -9.0899 -9.0899 -9.0129 -9.0129 -8.9865 -8.9865 -8.9483 -8.9483 -8.9237 -8.9237 -8.9103 -8.9103 -8.9039 -8.9039 -8.8497 -8.8497 -8.8103 -8.8103 -8.7891 -8.7891 -8.7678 -8.7678 -8.7596 -8.7596 -8.7444 -8.7444 -8.7361 -8.7361 -8.7275 -8.7275 -8.7181 -8.7181 -8.7097 -8.7097 -8.7071 -8.7071 -8.6962 -8.6962 -8.6909 -8.6909 -8.6815 -8.6815 -8.6627 -8.6627 -8.6591 -8.6591 -8.6304 -8.6304 1.4024 1.4024 2.8889 2.8889 k = 0.2794 0.2794-0.0000 ( 11954 PWs) bands (ev): -27.6189 -27.6189 -27.6062 -27.6062 -27.6019 -27.6019 -27.5943 -27.5943 -27.5864 -27.5864 -27.5807 -27.5807 -27.5779 -27.5779 -27.5740 -27.5740 -9.0888 -9.0888 -9.0194 -9.0194 -8.9915 -8.9915 -8.9502 -8.9502 -8.9267 -8.9267 -8.9102 -8.9102 -8.9077 -8.9077 -8.8516 -8.8516 -8.8131 -8.8131 -8.7857 -8.7857 -8.7613 -8.7613 -8.7562 -8.7562 -8.7418 -8.7418 -8.7361 -8.7361 -8.7261 -8.7261 -8.7175 -8.7175 -8.7094 -8.7094 -8.7046 -8.7046 -8.6967 -8.6967 -8.6904 -8.6904 -8.6784 -8.6784 -8.6629 -8.6629 -8.6586 -8.6586 -8.6296 -8.6296 1.3376 1.3376 2.9319 2.9319 k = 0.2647 0.2647-0.0000 ( 11964 PWs) bands (ev): -27.6198 -27.6198 -27.6062 -27.6062 -27.6022 -27.6022 -27.5945 -27.5945 -27.5860 -27.5860 -27.5801 -27.5801 -27.5775 -27.5775 -27.5740 -27.5740 -9.0877 -9.0877 -9.0256 -9.0256 -8.9963 -8.9963 -8.9521 -8.9521 -8.9297 -8.9297 -8.9144 -8.9144 -8.9072 -8.9072 -8.8533 -8.8533 -8.8159 -8.8159 -8.7824 -8.7824 -8.7560 -8.7560 -8.7523 -8.7523 -8.7404 -8.7404 -8.7355 -8.7355 -8.7252 -8.7252 -8.7162 -8.7162 -8.7094 -8.7094 -8.7015 -8.7015 -8.6972 -8.6972 -8.6898 -8.6898 -8.6752 -8.6752 -8.6632 -8.6632 -8.6577 -8.6577 -8.6287 -8.6287 1.2757 1.2757 2.9777 2.9777 k = 0.2500 0.2500-0.0000 ( 11972 PWs) bands (ev): -27.6207 -27.6207 -27.6063 -27.6063 -27.6025 -27.6025 -27.5946 -27.5946 -27.5857 -27.5857 -27.5796 -27.5796 -27.5771 -27.5771 -27.5740 -27.5740 -9.0866 -9.0866 -9.0315 -9.0315 -9.0007 -9.0007 -8.9539 -8.9539 -8.9327 -8.9327 -8.9192 -8.9192 -8.9060 -8.9060 -8.8547 -8.8547 -8.8187 -8.8187 -8.7791 -8.7791 -8.7524 -8.7524 -8.7475 -8.7475 -8.7408 -8.7408 -8.7336 -8.7336 -8.7247 -8.7247 -8.7145 -8.7145 -8.7095 -8.7095 -8.6981 -8.6981 -8.6978 -8.6978 -8.6892 -8.6892 -8.6723 -8.6723 -8.6634 -8.6634 -8.6565 -8.6565 -8.6279 -8.6279 1.2168 1.2168 3.0263 3.0263 k = 0.2353 0.2353-0.0000 ( 11962 PWs) bands (ev): -27.6216 -27.6216 -27.6063 -27.6063 -27.6028 -27.6028 -27.5946 -27.5946 -27.5854 -27.5854 -27.5790 -27.5790 -27.5767 -27.5767 -27.5740 -27.5740 -9.0857 -9.0857 -9.0371 -9.0371 -9.0049 -9.0049 -8.9556 -8.9556 -8.9358 -8.9358 -8.9240 -8.9240 -8.9048 -8.9048 -8.8558 -8.8558 -8.8214 -8.8214 -8.7759 -8.7759 -8.7496 -8.7496 -8.7430 -8.7430 -8.7419 -8.7419 -8.7316 -8.7316 -8.7242 -8.7242 -8.7126 -8.7126 -8.7096 -8.7096 -8.6983 -8.6983 -8.6950 -8.6950 -8.6881 -8.6881 -8.6696 -8.6696 -8.6637 -8.6637 -8.6548 -8.6548 -8.6270 -8.6270 1.1610 1.1610 3.0777 3.0777 k = 0.2206 0.2206-0.0000 ( 11956 PWs) bands (ev): -27.6224 -27.6224 -27.6063 -27.6063 -27.6031 -27.6031 -27.5946 -27.5946 -27.5851 -27.5851 -27.5784 -27.5784 -27.5764 -27.5764 -27.5740 -27.5740 -9.0848 -9.0848 -9.0425 -9.0425 -9.0087 -9.0087 -8.9572 -8.9572 -8.9389 -8.9389 -8.9287 -8.9287 -8.9036 -8.9036 -8.8564 -8.8564 -8.8241 -8.8241 -8.7730 -8.7730 -8.7472 -8.7472 -8.7433 -8.7433 -8.7396 -8.7396 -8.7296 -8.7296 -8.7233 -8.7233 -8.7109 -8.7109 -8.7094 -8.7094 -8.6987 -8.6987 -8.6930 -8.6930 -8.6860 -8.6860 -8.6673 -8.6673 -8.6638 -8.6638 -8.6527 -8.6527 -8.6261 -8.6261 1.1084 1.1084 3.1319 3.1319 k = 0.2059 0.2059-0.0000 ( 11970 PWs) bands (ev): -27.6232 -27.6232 -27.6063 -27.6063 -27.6034 -27.6034 -27.5946 -27.5946 -27.5849 -27.5849 -27.5779 -27.5779 -27.5761 -27.5761 -27.5740 -27.5740 -9.0840 -9.0840 -9.0475 -9.0475 -9.0121 -9.0121 -8.9586 -8.9586 -8.9419 -8.9419 -8.9332 -8.9332 -8.9026 -8.9026 -8.8566 -8.8566 -8.8266 -8.8266 -8.7702 -8.7702 -8.7457 -8.7457 -8.7441 -8.7441 -8.7377 -8.7377 -8.7271 -8.7271 -8.7224 -8.7224 -8.7100 -8.7100 -8.7082 -8.7082 -8.6989 -8.6989 -8.6922 -8.6922 -8.6831 -8.6831 -8.6659 -8.6659 -8.6632 -8.6632 -8.6501 -8.6501 -8.6253 -8.6253 1.0589 1.0589 3.1887 3.1887 k = 0.1912 0.1912-0.0000 ( 11970 PWs) bands (ev): -27.6239 -27.6239 -27.6063 -27.6063 -27.6037 -27.6037 -27.5946 -27.5946 -27.5846 -27.5846 -27.5774 -27.5774 -27.5758 -27.5758 -27.5740 -27.5740 -9.0833 -9.0833 -9.0522 -9.0522 -9.0153 -9.0153 -8.9600 -8.9600 -8.9448 -8.9448 -8.9375 -8.9375 -8.9016 -8.9016 -8.8565 -8.8565 -8.8289 -8.8289 -8.7678 -8.7678 -8.7468 -8.7468 -8.7428 -8.7428 -8.7365 -8.7365 -8.7246 -8.7246 -8.7211 -8.7211 -8.7097 -8.7097 -8.7066 -8.7066 -8.6988 -8.6988 -8.6920 -8.6920 -8.6800 -8.6800 -8.6658 -8.6658 -8.6614 -8.6614 -8.6471 -8.6471 -8.6244 -8.6244 1.0126 1.0126 3.2482 3.2482 k = 0.1765 0.1765-0.0000 ( 11964 PWs) bands (ev): -27.6246 -27.6246 -27.6063 -27.6063 -27.6041 -27.6041 -27.5945 -27.5945 -27.5844 -27.5844 -27.5769 -27.5769 -27.5755 -27.5755 -27.5740 -27.5740 -9.0828 -9.0828 -9.0566 -9.0566 -9.0180 -9.0180 -8.9613 -8.9613 -8.9477 -8.9477 -8.9416 -8.9416 -8.9008 -8.9008 -8.8559 -8.8559 -8.8311 -8.8311 -8.7657 -8.7657 -8.7483 -8.7483 -8.7422 -8.7422 -8.7351 -8.7351 -8.7231 -8.7231 -8.7190 -8.7190 -8.7094 -8.7094 -8.7054 -8.7054 -8.6982 -8.6982 -8.6921 -8.6921 -8.6773 -8.6773 -8.6661 -8.6661 -8.6592 -8.6592 -8.6438 -8.6438 -8.6235 -8.6235 0.9695 0.9695 3.3104 3.3104 k = 0.1618 0.1618-0.0000 ( 11956 PWs) bands (ev): -27.6252 -27.6252 -27.6063 -27.6063 -27.6044 -27.6044 -27.5944 -27.5944 -27.5842 -27.5842 -27.5765 -27.5765 -27.5753 -27.5753 -27.5740 -27.5740 -9.0824 -9.0824 -9.0606 -9.0606 -9.0204 -9.0204 -8.9625 -8.9625 -8.9505 -8.9505 -8.9454 -8.9454 -8.9002 -8.9002 -8.8550 -8.8550 -8.8331 -8.8331 -8.7640 -8.7640 -8.7497 -8.7497 -8.7426 -8.7426 -8.7330 -8.7330 -8.7225 -8.7225 -8.7163 -8.7163 -8.7090 -8.7090 -8.7047 -8.7047 -8.6973 -8.6973 -8.6922 -8.6922 -8.6751 -8.6751 -8.6665 -8.6665 -8.6568 -8.6568 -8.6404 -8.6404 -8.6226 -8.6226 0.9298 0.9298 3.3752 3.3752 k = 0.1471 0.1471-0.0000 ( 11966 PWs) bands (ev): -27.6259 -27.6259 -27.6063 -27.6063 -27.6047 -27.6047 -27.5943 -27.5943 -27.5840 -27.5840 -27.5760 -27.5760 -27.5750 -27.5750 -27.5740 -27.5740 -9.0821 -9.0821 -9.0644 -9.0644 -9.0225 -9.0225 -8.9636 -8.9636 -8.9532 -8.9532 -8.9489 -8.9489 -8.8996 -8.8996 -8.8538 -8.8538 -8.8349 -8.8349 -8.7630 -8.7630 -8.7509 -8.7509 -8.7435 -8.7435 -8.7305 -8.7305 -8.7222 -8.7222 -8.7137 -8.7137 -8.7086 -8.7086 -8.7045 -8.7045 -8.6964 -8.6964 -8.6922 -8.6922 -8.6734 -8.6734 -8.6669 -8.6669 -8.6543 -8.6543 -8.6370 -8.6370 -8.6217 -8.6217 0.8933 0.8933 3.4424 3.4424 k = 0.1324 0.1324-0.0000 ( 11964 PWs) bands (ev): -27.6264 -27.6264 -27.6063 -27.6063 -27.6050 -27.6050 -27.5943 -27.5943 -27.5838 -27.5838 -27.5757 -27.5757 -27.5748 -27.5748 -27.5740 -27.5740 -9.0819 -9.0819 -9.0678 -9.0678 -9.0243 -9.0243 -8.9646 -8.9646 -8.9557 -8.9557 -8.9522 -8.9522 -8.8992 -8.8992 -8.8525 -8.8525 -8.8365 -8.8365 -8.7626 -8.7626 -8.7516 -8.7516 -8.7446 -8.7446 -8.7278 -8.7278 -8.7219 -8.7219 -8.7115 -8.7115 -8.7080 -8.7080 -8.7044 -8.7044 -8.6961 -8.6961 -8.6918 -8.6918 -8.6721 -8.6721 -8.6673 -8.6673 -8.6518 -8.6518 -8.6336 -8.6336 -8.6209 -8.6209 0.8603 0.8603 3.5122 3.5122 k = 0.1176 0.1176-0.0000 ( 11956 PWs) bands (ev): -27.6269 -27.6269 -27.6063 -27.6063 -27.6052 -27.6052 -27.5942 -27.5942 -27.5837 -27.5837 -27.5753 -27.5753 -27.5747 -27.5747 -27.5740 -27.5740 -9.0818 -9.0818 -9.0708 -9.0708 -9.0257 -9.0257 -8.9655 -8.9655 -8.9580 -8.9580 -8.9551 -8.9551 -8.8988 -8.8988 -8.8510 -8.8510 -8.8379 -8.8379 -8.7629 -8.7629 -8.7520 -8.7520 -8.7458 -8.7458 -8.7251 -8.7251 -8.7215 -8.7215 -8.7102 -8.7102 -8.7070 -8.7070 -8.7045 -8.7045 -8.6964 -8.6964 -8.6911 -8.6911 -8.6711 -8.6711 -8.6676 -8.6676 -8.6494 -8.6494 -8.6303 -8.6303 -8.6200 -8.6200 0.8306 0.8306 3.5843 3.5845 k = 0.1029 0.1029-0.0000 ( 11948 PWs) bands (ev): -27.6274 -27.6274 -27.6063 -27.6063 -27.6055 -27.6055 -27.5941 -27.5941 -27.5835 -27.5835 -27.5750 -27.5750 -27.5745 -27.5745 -27.5740 -27.5740 -9.0818 -9.0818 -9.0735 -9.0735 -9.0269 -9.0269 -8.9664 -8.9664 -8.9600 -8.9600 -8.9576 -8.9576 -8.8986 -8.8986 -8.8494 -8.8494 -8.8390 -8.8390 -8.7638 -8.7638 -8.7520 -8.7520 -8.7470 -8.7470 -8.7225 -8.7225 -8.7209 -8.7209 -8.7096 -8.7096 -8.7055 -8.7055 -8.7044 -8.7044 -8.6970 -8.6970 -8.6905 -8.6905 -8.6703 -8.6703 -8.6678 -8.6678 -8.6473 -8.6473 -8.6273 -8.6273 -8.6192 -8.6192 0.8043 0.8043 3.6588 3.6588 k = 0.0882 0.0882-0.0000 ( 11944 PWs) bands (ev): -27.6278 -27.6278 -27.6063 -27.6063 -27.6057 -27.6057 -27.5940 -27.5940 -27.5834 -27.5834 -27.5747 -27.5747 -27.5744 -27.5744 -27.5740 -27.5740 -9.0819 -9.0819 -9.0758 -9.0758 -9.0278 -9.0278 -8.9672 -8.9672 -8.9618 -8.9618 -8.9599 -8.9599 -8.8984 -8.8984 -8.8478 -8.8478 -8.8399 -8.8399 -8.7650 -8.7650 -8.7519 -8.7519 -8.7481 -8.7481 -8.7202 -8.7202 -8.7199 -8.7199 -8.7094 -8.7094 -8.7043 -8.7043 -8.7041 -8.7041 -8.6978 -8.6978 -8.6902 -8.6902 -8.6697 -8.6697 -8.6679 -8.6679 -8.6454 -8.6454 -8.6245 -8.6245 -8.6185 -8.6185 0.7815 0.7815 3.7354 3.7354 k = 0.0735 0.0735-0.0000 ( 11932 PWs) bands (ev): -27.6281 -27.6281 -27.6063 -27.6063 -27.6058 -27.6058 -27.5939 -27.5939 -27.5833 -27.5833 -27.5745 -27.5745 -27.5742 -27.5742 -27.5740 -27.5740 -9.0820 -9.0820 -9.0778 -9.0778 -9.0286 -9.0286 -8.9681 -8.9681 -8.9632 -8.9632 -8.9617 -8.9617 -8.8982 -8.8982 -8.8463 -8.8463 -8.8407 -8.8407 -8.7663 -8.7663 -8.7518 -8.7518 -8.7491 -8.7491 -8.7192 -8.7192 -8.7178 -8.7178 -8.7095 -8.7095 -8.7040 -8.7040 -8.7028 -8.7028 -8.6986 -8.6986 -8.6902 -8.6902 -8.6692 -8.6692 -8.6680 -8.6680 -8.6438 -8.6438 -8.6220 -8.6220 -8.6178 -8.6178 0.7622 0.7622 3.8140 3.8151 k = 0.0588 0.0588-0.0000 ( 11934 PWs) bands (ev): -27.6284 -27.6284 -27.6063 -27.6063 -27.6060 -27.6060 -27.5939 -27.5939 -27.5832 -27.5832 -27.5743 -27.5743 -27.5741 -27.5741 -27.5740 -27.5740 -9.0821 -9.0821 -9.0795 -9.0795 -9.0291 -9.0291 -8.9688 -8.9688 -8.9643 -8.9643 -8.9633 -8.9633 -8.8982 -8.8982 -8.8449 -8.8449 -8.8413 -8.8413 -8.7675 -8.7675 -8.7517 -8.7517 -8.7500 -8.7500 -8.7181 -8.7181 -8.7159 -8.7159 -8.7098 -8.7098 -8.7036 -8.7036 -8.7017 -8.7017 -8.6994 -8.6994 -8.6906 -8.6906 -8.6688 -8.6688 -8.6680 -8.6680 -8.6424 -8.6424 -8.6200 -8.6200 -8.6173 -8.6173 0.7463 0.7463 3.8940 3.8942 k = 0.0441 0.0441-0.0000 ( 11924 PWs) bands (ev): -27.6286 -27.6286 -27.6063 -27.6063 -27.6061 -27.6061 -27.5938 -27.5938 -27.5831 -27.5831 -27.5742 -27.5742 -27.5741 -27.5741 -27.5740 -27.5740 -9.0822 -9.0822 -9.0807 -9.0807 -9.0295 -9.0295 -8.9695 -8.9695 -8.9651 -8.9651 -8.9645 -8.9645 -8.8981 -8.8981 -8.8438 -8.8438 -8.8417 -8.8417 -8.7686 -8.7686 -8.7516 -8.7516 -8.7507 -8.7507 -8.7169 -8.7169 -8.7144 -8.7144 -8.7103 -8.7103 -8.7029 -8.7029 -8.7010 -8.7010 -8.7000 -8.7000 -8.6913 -8.6913 -8.6684 -8.6684 -8.6679 -8.6679 -8.6414 -8.6414 -8.6183 -8.6183 -8.6168 -8.6168 0.7340 0.7340 3.9747 3.9749 k = 0.0294 0.0294-0.0000 ( 11935 PWs) bands (ev): -27.6287 -27.6287 -27.6063 -27.6063 -27.6062 -27.6062 -27.5938 -27.5938 -27.5831 -27.5831 -27.5741 -27.5741 -27.5740 -27.5740 -27.5740 -27.5740 -9.0823 -9.0823 -9.0816 -9.0816 -9.0298 -9.0298 -8.9701 -8.9701 -8.9657 -8.9657 -8.9654 -8.9654 -8.8981 -8.8981 -8.8430 -8.8430 -8.8420 -8.8420 -8.7694 -8.7694 -8.7516 -8.7516 -8.7512 -8.7512 -8.7156 -8.7156 -8.7134 -8.7134 -8.7110 -8.7110 -8.7021 -8.7021 -8.7008 -8.7008 -8.7001 -8.7001 -8.6920 -8.6920 -8.6681 -8.6681 -8.6679 -8.6679 -8.6407 -8.6407 -8.6171 -8.6171 -8.6164 -8.6164 0.7251 0.7251 4.0539 4.0542 k = 0.0147 0.0147-0.0000 ( 11933 PWs) bands (ev): -27.6288 -27.6288 -27.6063 -27.6063 -27.6063 -27.6063 -27.5938 -27.5938 -27.5831 -27.5831 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -9.0823 -9.0823 -9.0822 -9.0822 -9.0300 -9.0300 -8.9705 -8.9705 -8.9660 -8.9660 -8.9659 -8.9659 -8.8980 -8.8980 -8.8424 -8.8424 -8.8422 -8.8422 -8.7699 -8.7699 -8.7516 -8.7516 -8.7515 -8.7515 -8.7144 -8.7144 -8.7128 -8.7128 -8.7119 -8.7119 -8.7014 -8.7014 -8.7010 -8.7010 -8.6999 -8.6999 -8.6927 -8.6927 -8.6680 -8.6680 -8.6679 -8.6679 -8.6402 -8.6402 -8.6164 -8.6164 -8.6162 -8.6162 0.7198 0.7198 4.1243 4.1244 k = 0.0000 0.0000 0.0000 ( 11981 PWs) bands (ev): -27.6288 -27.6288 -27.6063 -27.6063 -27.6063 -27.6063 -27.5938 -27.5938 -27.5830 -27.5830 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -9.0824 -9.0824 -9.0824 -9.0824 -9.0300 -9.0300 -8.9706 -8.9706 -8.9661 -8.9661 -8.9661 -8.9661 -8.8980 -8.8980 -8.8422 -8.8422 -8.8422 -8.8422 -8.7701 -8.7701 -8.7516 -8.7516 -8.7516 -8.7516 -8.7135 -8.7135 -8.7126 -8.7126 -8.7126 -8.7126 -8.7011 -8.7011 -8.7011 -8.7011 -8.6998 -8.6998 -8.6930 -8.6930 -8.6679 -8.6679 -8.6679 -8.6679 -8.6401 -8.6401 -8.6162 -8.6162 -8.6162 -8.6162 0.7181 0.7181 4.1590 4.1590 k = 0.0000 0.0000 0.0000 ( 11981 PWs) bands (ev): -27.6288 -27.6288 -27.6063 -27.6063 -27.6063 -27.6063 -27.5938 -27.5938 -27.5830 -27.5830 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -9.0824 -9.0824 -9.0824 -9.0824 -9.0300 -9.0300 -8.9706 -8.9706 -8.9661 -8.9661 -8.9661 -8.9661 -8.8980 -8.8980 -8.8422 -8.8422 -8.8422 -8.8422 -8.7701 -8.7701 -8.7516 -8.7516 -8.7516 -8.7516 -8.7135 -8.7135 -8.7126 -8.7126 -8.7126 -8.7126 -8.7011 -8.7011 -8.7011 -8.7011 -8.6998 -8.6998 -8.6930 -8.6930 -8.6679 -8.6679 -8.6679 -8.6679 -8.6401 -8.6401 -8.6162 -8.6162 -8.6162 -8.6162 0.7181 0.7181 4.1590 4.1590 k = 0.0122 0.0122 0.0122 ( 11930 PWs) bands (ev): -27.6288 -27.6288 -27.6063 -27.6063 -27.6063 -27.6063 -27.5938 -27.5938 -27.5831 -27.5831 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -9.0823 -9.0823 -9.0823 -9.0823 -9.0300 -9.0300 -8.9705 -8.9705 -8.9659 -8.9659 -8.9659 -8.9659 -8.8980 -8.8980 -8.8424 -8.8424 -8.8422 -8.8422 -8.7699 -8.7699 -8.7515 -8.7515 -8.7515 -8.7515 -8.7144 -8.7144 -8.7128 -8.7128 -8.7119 -8.7119 -8.7014 -8.7014 -8.7010 -8.7010 -8.6999 -8.6999 -8.6927 -8.6927 -8.6680 -8.6680 -8.6679 -8.6679 -8.6402 -8.6402 -8.6164 -8.6164 -8.6163 -8.6163 0.7199 0.7199 4.1345 4.1346 k = 0.0244 0.0244 0.0244 ( 11933 PWs) bands (ev): -27.6287 -27.6287 -27.6062 -27.6062 -27.6062 -27.6062 -27.5938 -27.5938 -27.5831 -27.5831 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -27.5740 -9.0819 -9.0819 -9.0819 -9.0819 -9.0298 -9.0298 -8.9701 -8.9701 -8.9655 -8.9655 -8.9654 -8.9654 -8.8981 -8.8981 -8.8429 -8.8429 -8.8421 -8.8421 -8.7694 -8.7694 -8.7515 -8.7515 -8.7512 -8.7512 -8.7157 -8.7157 -8.7133 -8.7133 -8.7111 -8.7111 -8.7021 -8.7021 -8.7007 -8.7007 -8.7002 -8.7002 -8.6920 -8.6920 -8.6682 -8.6682 -8.6679 -8.6679 -8.6407 -8.6407 -8.6171 -8.6171 -8.6166 -8.6166 0.7254 0.7254 4.0814 4.0816 k = 0.0366 0.0366 0.0366 ( 11930 PWs) bands (ev): -27.6286 -27.6286 -27.6062 -27.6062 -27.6062 -27.6062 -27.5938 -27.5938 -27.5831 -27.5831 -27.5741 -27.5741 -27.5741 -27.5741 -27.5740 -27.5740 -9.0814 -9.0814 -9.0814 -9.0814 -9.0295 -9.0295 -8.9694 -8.9694 -8.9649 -8.9649 -8.9647 -8.9647 -8.8981 -8.8981 -8.8436 -8.8436 -8.8419 -8.8419 -8.7685 -8.7685 -8.7514 -8.7514 -8.7508 -8.7508 -8.7172 -8.7172 -8.7140 -8.7140 -8.7106 -8.7106 -8.7028 -8.7028 -8.7008 -8.7008 -8.7003 -8.7003 -8.6912 -8.6912 -8.6685 -8.6685 -8.6679 -8.6679 -8.6414 -8.6414 -8.6182 -8.6182 -8.6171 -8.6171 0.7345 0.7345 4.0194 4.0194 k = 0.0488 0.0488 0.0488 ( 11942 PWs) bands (ev): -27.6283 -27.6283 -27.6061 -27.6061 -27.6061 -27.6061 -27.5939 -27.5939 -27.5832 -27.5832 -27.5742 -27.5742 -27.5742 -27.5742 -27.5740 -27.5740 -9.0807 -9.0807 -9.0807 -9.0807 -9.0292 -9.0292 -8.9686 -8.9686 -8.9641 -8.9641 -8.9637 -8.9637 -8.8981 -8.8981 -8.8446 -8.8446 -8.8417 -8.8417 -8.7674 -8.7674 -8.7513 -8.7513 -8.7503 -8.7503 -8.7187 -8.7187 -8.7149 -8.7149 -8.7105 -8.7105 -8.7032 -8.7032 -8.7015 -8.7015 -8.6998 -8.6998 -8.6905 -8.6905 -8.6689 -8.6689 -8.6679 -8.6679 -8.6425 -8.6425 -8.6197 -8.6197 -8.6178 -8.6178 0.7472 0.7472 3.9560 3.9560 k = 0.0610 0.0610 0.0610 ( 11942 PWs) bands (ev): -27.6281 -27.6281 -27.6061 -27.6061 -27.6061 -27.6061 -27.5940 -27.5940 -27.5833 -27.5833 -27.5743 -27.5743 -27.5743 -27.5743 -27.5741 -27.5741 -9.0798 -9.0798 -9.0797 -9.0797 -9.0287 -9.0287 -8.9674 -8.9674 -8.9630 -8.9630 -8.9623 -8.9623 -8.8982 -8.8982 -8.8458 -8.8458 -8.8414 -8.8414 -8.7662 -8.7662 -8.7513 -8.7513 -8.7496 -8.7496 -8.7204 -8.7204 -8.7159 -8.7159 -8.7110 -8.7110 -8.7033 -8.7033 -8.7022 -8.7022 -8.6994 -8.6994 -8.6900 -8.6900 -8.6694 -8.6694 -8.6679 -8.6679 -8.6438 -8.6438 -8.6216 -8.6216 -8.6186 -8.6186 0.7636 0.7636 3.8932 3.8932 k = 0.0732 0.0732 0.0732 ( 11939 PWs) bands (ev): -27.6277 -27.6277 -27.6060 -27.6060 -27.6060 -27.6060 -27.5940 -27.5940 -27.5834 -27.5834 -27.5745 -27.5745 -27.5745 -27.5745 -27.5741 -27.5741 -9.0786 -9.0786 -9.0785 -9.0785 -9.0281 -9.0281 -8.9661 -8.9661 -8.9617 -8.9617 -8.9607 -8.9607 -8.8982 -8.8982 -8.8470 -8.8470 -8.8410 -8.8410 -8.7648 -8.7648 -8.7512 -8.7512 -8.7488 -8.7488 -8.7222 -8.7222 -8.7169 -8.7169 -8.7117 -8.7117 -8.7041 -8.7041 -8.7022 -8.7022 -8.6990 -8.6990 -8.6897 -8.6897 -8.6700 -8.6700 -8.6679 -8.6679 -8.6454 -8.6454 -8.6240 -8.6240 -8.6197 -8.6197 0.7835 0.7835 3.8320 3.8321 k = 0.0854 0.0854 0.0854 ( 11945 PWs) bands (ev): -27.6273 -27.6273 -27.6058 -27.6058 -27.6058 -27.6058 -27.5941 -27.5941 -27.5835 -27.5835 -27.5747 -27.5747 -27.5747 -27.5747 -27.5742 -27.5742 -9.0773 -9.0773 -9.0772 -9.0772 -9.0275 -9.0275 -8.9645 -8.9645 -8.9601 -8.9601 -8.9588 -8.9588 -8.8983 -8.8983 -8.8483 -8.8483 -8.8405 -8.8405 -8.7635 -8.7635 -8.7511 -8.7511 -8.7479 -8.7479 -8.7240 -8.7240 -8.7179 -8.7179 -8.7124 -8.7124 -8.7055 -8.7055 -8.7016 -8.7016 -8.6988 -8.6988 -8.6898 -8.6898 -8.6707 -8.6707 -8.6678 -8.6678 -8.6474 -8.6474 -8.6266 -8.6266 -8.6210 -8.6210 0.8070 0.8070 3.7730 3.7730 k = 0.0976 0.0976 0.0976 ( 11927 PWs) bands (ev): -27.6268 -27.6268 -27.6057 -27.6057 -27.6057 -27.6057 -27.5942 -27.5942 -27.5837 -27.5837 -27.5749 -27.5749 -27.5749 -27.5749 -27.5743 -27.5743 -9.0757 -9.0757 -9.0756 -9.0756 -9.0267 -9.0267 -8.9628 -8.9628 -8.9583 -8.9583 -8.9566 -8.9566 -8.8984 -8.8984 -8.8496 -8.8496 -8.8399 -8.8399 -8.7624 -8.7624 -8.7510 -8.7510 -8.7471 -8.7471 -8.7259 -8.7259 -8.7189 -8.7189 -8.7130 -8.7130 -8.7071 -8.7071 -8.7009 -8.7009 -8.6987 -8.6987 -8.6901 -8.6901 -8.6714 -8.6714 -8.6678 -8.6678 -8.6495 -8.6495 -8.6296 -8.6296 -8.6224 -8.6224 0.8341 0.8341 3.7162 3.7162 k = 0.1098 0.1098 0.1098 ( 11942 PWs) bands (ev): -27.6263 -27.6263 -27.6056 -27.6056 -27.6056 -27.6056 -27.5943 -27.5943 -27.5838 -27.5838 -27.5751 -27.5751 -27.5751 -27.5751 -27.5743 -27.5743 -9.0740 -9.0740 -9.0738 -9.0738 -9.0258 -9.0258 -8.9608 -8.9608 -8.9564 -8.9564 -8.9542 -8.9542 -8.8985 -8.8985 -8.8508 -8.8508 -8.8391 -8.8391 -8.7617 -8.7617 -8.7509 -8.7509 -8.7462 -8.7462 -8.7277 -8.7277 -8.7199 -8.7199 -8.7138 -8.7138 -8.7087 -8.7087 -8.7002 -8.7002 -8.6989 -8.6989 -8.6908 -8.6908 -8.6722 -8.6722 -8.6677 -8.6677 -8.6520 -8.6520 -8.6329 -8.6329 -8.6241 -8.6241 0.8647 0.8647 3.6619 3.6619 k = 0.1220 0.1220 0.1220 ( 11942 PWs) bands (ev): -27.6257 -27.6257 -27.6054 -27.6054 -27.6054 -27.6054 -27.5944 -27.5944 -27.5840 -27.5840 -27.5754 -27.5754 -27.5754 -27.5754 -27.5744 -27.5744 -9.0720 -9.0720 -9.0718 -9.0718 -9.0248 -9.0248 -8.9587 -8.9587 -8.9542 -8.9542 -8.9515 -8.9515 -8.8987 -8.8987 -8.8519 -8.8519 -8.8383 -8.8383 -8.7613 -8.7613 -8.7506 -8.7506 -8.7454 -8.7454 -8.7294 -8.7294 -8.7207 -8.7207 -8.7148 -8.7148 -8.7100 -8.7100 -8.6996 -8.6996 -8.6993 -8.6993 -8.6917 -8.6917 -8.6729 -8.6729 -8.6677 -8.6677 -8.6547 -8.6547 -8.6364 -8.6364 -8.6258 -8.6258 0.8988 0.8988 3.6101 3.6101 k = 0.1341 0.1341 0.1341 ( 11924 PWs) bands (ev): -27.6251 -27.6251 -27.6052 -27.6052 -27.6052 -27.6052 -27.5945 -27.5945 -27.5842 -27.5842 -27.5757 -27.5757 -27.5757 -27.5757 -27.5746 -27.5746 -9.0698 -9.0698 -9.0695 -9.0695 -9.0237 -9.0237 -8.9564 -8.9564 -8.9519 -8.9519 -8.9485 -8.9485 -8.8988 -8.8988 -8.8527 -8.8527 -8.8372 -8.8372 -8.7616 -8.7616 -8.7503 -8.7503 -8.7447 -8.7447 -8.7311 -8.7311 -8.7214 -8.7214 -8.7166 -8.7166 -8.7106 -8.7106 -8.6999 -8.6999 -8.6990 -8.6990 -8.6928 -8.6928 -8.6736 -8.6736 -8.6677 -8.6677 -8.6577 -8.6577 -8.6400 -8.6400 -8.6278 -8.6278 0.9364 0.9364 3.5610 3.5610 k = 0.1463 0.1463 0.1463 ( 11927 PWs) bands (ev): -27.6244 -27.6244 -27.6050 -27.6050 -27.6050 -27.6050 -27.5946 -27.5946 -27.5844 -27.5844 -27.5760 -27.5760 -27.5760 -27.5760 -27.5747 -27.5747 -9.0674 -9.0674 -9.0671 -9.0671 -9.0225 -9.0225 -8.9539 -8.9539 -8.9494 -8.9494 -8.9453 -8.9453 -8.8990 -8.8990 -8.8534 -8.8534 -8.8361 -8.8361 -8.7623 -8.7623 -8.7499 -8.7499 -8.7442 -8.7442 -8.7326 -8.7326 -8.7219 -8.7219 -8.7191 -8.7191 -8.7107 -8.7107 -8.7008 -8.7008 -8.6984 -8.6984 -8.6941 -8.6941 -8.6742 -8.6742 -8.6679 -8.6679 -8.6608 -8.6608 -8.6438 -8.6438 -8.6298 -8.6298 0.9774 0.9774 3.5147 3.5147 k = 0.1585 0.1585 0.1585 ( 11924 PWs) bands (ev): -27.6237 -27.6237 -27.6048 -27.6048 -27.6048 -27.6048 -27.5947 -27.5947 -27.5847 -27.5847 -27.5763 -27.5763 -27.5763 -27.5763 -27.5748 -27.5748 -9.0649 -9.0649 -9.0645 -9.0645 -9.0212 -9.0212 -8.9514 -8.9514 -8.9467 -8.9467 -8.9420 -8.9420 -8.8992 -8.8992 -8.8537 -8.8537 -8.8348 -8.8348 -8.7635 -8.7635 -8.7495 -8.7495 -8.7439 -8.7439 -8.7342 -8.7342 -8.7223 -8.7223 -8.7218 -8.7218 -8.7104 -8.7104 -8.7019 -8.7019 -8.6981 -8.6981 -8.6955 -8.6955 -8.6748 -8.6748 -8.6682 -8.6682 -8.6642 -8.6642 -8.6477 -8.6477 -8.6320 -8.6320 1.0217 1.0217 3.4711 3.4711 k = 0.1707 0.1707 0.1707 ( 11903 PWs) bands (ev): -27.6229 -27.6229 -27.6046 -27.6046 -27.6046 -27.6046 -27.5948 -27.5948 -27.5849 -27.5849 -27.5767 -27.5767 -27.5767 -27.5767 -27.5750 -27.5750 -9.0621 -9.0621 -9.0617 -9.0617 -9.0198 -9.0198 -8.9487 -8.9487 -8.9439 -8.9439 -8.9384 -8.9384 -8.8994 -8.8994 -8.8538 -8.8538 -8.8333 -8.8333 -8.7649 -8.7649 -8.7493 -8.7493 -8.7437 -8.7437 -8.7361 -8.7361 -8.7245 -8.7245 -8.7227 -8.7227 -8.7100 -8.7100 -8.7032 -8.7032 -8.6982 -8.6982 -8.6965 -8.6965 -8.6753 -8.6753 -8.6686 -8.6686 -8.6676 -8.6676 -8.6516 -8.6516 -8.6344 -8.6344 1.0694 1.0694 3.4303 3.4303 k = 0.1829 0.1829 0.1829 ( 11906 PWs) bands (ev): -27.6221 -27.6221 -27.6043 -27.6043 -27.6043 -27.6043 -27.5950 -27.5950 -27.5852 -27.5852 -27.5771 -27.5771 -27.5771 -27.5771 -27.5752 -27.5752 -9.0591 -9.0591 -9.0586 -9.0586 -9.0183 -9.0183 -8.9459 -8.9459 -8.9410 -8.9410 -8.9346 -8.9346 -8.8996 -8.8996 -8.8536 -8.8536 -8.8317 -8.8317 -8.7666 -8.7666 -8.7494 -8.7494 -8.7438 -8.7438 -8.7385 -8.7385 -8.7268 -8.7268 -8.7229 -8.7229 -8.7097 -8.7097 -8.7046 -8.7046 -8.6994 -8.6994 -8.6966 -8.6966 -8.6758 -8.6758 -8.6713 -8.6713 -8.6691 -8.6691 -8.6555 -8.6555 -8.6368 -8.6368 1.1204 1.1204 3.3923 3.3923 k = 0.1951 0.1951 0.1951 ( 11929 PWs) bands (ev): -27.6212 -27.6212 -27.6041 -27.6041 -27.6041 -27.6041 -27.5951 -27.5951 -27.5854 -27.5854 -27.5775 -27.5775 -27.5775 -27.5775 -27.5755 -27.5755 -9.0559 -9.0559 -9.0554 -9.0554 -9.0166 -9.0166 -8.9431 -8.9431 -8.9381 -8.9381 -8.9308 -8.9308 -8.8998 -8.8998 -8.8531 -8.8531 -8.8299 -8.8299 -8.7685 -8.7685 -8.7497 -8.7497 -8.7441 -8.7441 -8.7418 -8.7418 -8.7285 -8.7285 -8.7233 -8.7233 -8.7094 -8.7094 -8.7061 -8.7061 -8.7010 -8.7010 -8.6963 -8.6963 -8.6763 -8.6763 -8.6750 -8.6750 -8.6700 -8.6700 -8.6593 -8.6593 -8.6394 -8.6394 1.1747 1.1747 3.3572 3.3572 k = 0.2073 0.2073 0.2073 ( 11938 PWs) bands (ev): -27.6203 -27.6203 -27.6038 -27.6038 -27.6038 -27.6038 -27.5952 -27.5952 -27.5857 -27.5857 -27.5779 -27.5779 -27.5779 -27.5779 -27.5757 -27.5757 -9.0525 -9.0525 -9.0520 -9.0520 -9.0149 -9.0149 -8.9402 -8.9402 -8.9350 -8.9350 -8.9268 -8.9268 -8.9000 -8.9000 -8.8523 -8.8523 -8.8279 -8.8279 -8.7703 -8.7703 -8.7507 -8.7507 -8.7454 -8.7454 -8.7446 -8.7446 -8.7297 -8.7297 -8.7237 -8.7237 -8.7093 -8.7093 -8.7074 -8.7074 -8.7027 -8.7027 -8.6959 -8.6959 -8.6786 -8.6786 -8.6768 -8.6768 -8.6713 -8.6713 -8.6628 -8.6628 -8.6420 -8.6420 1.2322 1.2322 3.3250 3.3252 k = 0.2195 0.2195 0.2195 ( 11950 PWs) bands (ev): -27.6193 -27.6193 -27.6035 -27.6035 -27.6035 -27.6035 -27.5953 -27.5953 -27.5860 -27.5860 -27.5784 -27.5784 -27.5784 -27.5784 -27.5760 -27.5760 -9.0490 -9.0490 -9.0483 -9.0483 -9.0131 -9.0131 -8.9373 -8.9373 -8.9319 -8.9319 -8.9227 -8.9227 -8.9001 -8.9001 -8.8513 -8.8513 -8.8258 -8.8258 -8.7722 -8.7722 -8.7537 -8.7537 -8.7479 -8.7479 -8.7452 -8.7452 -8.7306 -8.7306 -8.7245 -8.7245 -8.7094 -8.7094 -8.7086 -8.7086 -8.7044 -8.7044 -8.6957 -8.6957 -8.6822 -8.6822 -8.6774 -8.6774 -8.6733 -8.6733 -8.6657 -8.6657 -8.6448 -8.6448 1.2928 1.2928 3.2957 3.2957 k = 0.2317 0.2317 0.2317 ( 11944 PWs) bands (ev): -27.6183 -27.6183 -27.6032 -27.6032 -27.6032 -27.6032 -27.5954 -27.5954 -27.5863 -27.5863 -27.5789 -27.5789 -27.5789 -27.5789 -27.5763 -27.5763 -9.0452 -9.0452 -9.0445 -9.0445 -9.0111 -9.0111 -8.9344 -8.9344 -8.9288 -8.9288 -8.9185 -8.9185 -8.9002 -8.9002 -8.8499 -8.8499 -8.8235 -8.8235 -8.7741 -8.7741 -8.7587 -8.7587 -8.7489 -8.7489 -8.7460 -8.7460 -8.7315 -8.7315 -8.7255 -8.7255 -8.7098 -8.7098 -8.7094 -8.7094 -8.7060 -8.7060 -8.6956 -8.6956 -8.6855 -8.6855 -8.6779 -8.6779 -8.6760 -8.6760 -8.6679 -8.6679 -8.6476 -8.6476 1.3566 1.3566 3.2694 3.2699 k = 0.2439 0.2439 0.2439 ( 11965 PWs) bands (ev): -27.6173 -27.6173 -27.6028 -27.6028 -27.6028 -27.6028 -27.5954 -27.5954 -27.5866 -27.5866 -27.5794 -27.5794 -27.5794 -27.5794 -27.5767 -27.5767 -9.0413 -9.0413 -9.0406 -9.0406 -9.0091 -9.0091 -8.9315 -8.9315 -8.9257 -8.9257 -8.9143 -8.9143 -8.9002 -8.9002 -8.8483 -8.8483 -8.8211 -8.8211 -8.7759 -8.7759 -8.7646 -8.7646 -8.7495 -8.7495 -8.7470 -8.7470 -8.7325 -8.7325 -8.7269 -8.7269 -8.7105 -8.7105 -8.7101 -8.7101 -8.7076 -8.7076 -8.6961 -8.6961 -8.6881 -8.6881 -8.6793 -8.6793 -8.6785 -8.6785 -8.6696 -8.6696 -8.6505 -8.6505 1.4234 1.4234 3.2459 3.2464 k = 0.2561 0.2561 0.2561 ( 11953 PWs) bands (ev): -27.6162 -27.6162 -27.6025 -27.6025 -27.6025 -27.6025 -27.5955 -27.5955 -27.5869 -27.5869 -27.5799 -27.5799 -27.5799 -27.5799 -27.5771 -27.5771 -9.0372 -9.0372 -9.0364 -9.0364 -9.0069 -9.0069 -8.9286 -8.9286 -8.9226 -8.9226 -8.9101 -8.9101 -8.9000 -8.9000 -8.8464 -8.8464 -8.8185 -8.8185 -8.7776 -8.7776 -8.7711 -8.7711 -8.7500 -8.7500 -8.7481 -8.7481 -8.7336 -8.7336 -8.7284 -8.7284 -8.7114 -8.7114 -8.7105 -8.7105 -8.7091 -8.7091 -8.6976 -8.6976 -8.6897 -8.6897 -8.6830 -8.6830 -8.6791 -8.6791 -8.6709 -8.6709 -8.6534 -8.6534 1.4932 1.4932 3.2255 3.2256 k = 0.2683 0.2683 0.2683 ( 11959 PWs) bands (ev): -27.6151 -27.6151 -27.6021 -27.6021 -27.6021 -27.6021 -27.5956 -27.5956 -27.5873 -27.5873 -27.5804 -27.5804 -27.5804 -27.5804 -27.5775 -27.5775 -9.0329 -9.0329 -9.0320 -9.0320 -9.0047 -9.0047 -8.9259 -8.9259 -8.9196 -8.9196 -8.9060 -8.9060 -8.8997 -8.8997 -8.8444 -8.8444 -8.8158 -8.8158 -8.7792 -8.7792 -8.7777 -8.7777 -8.7504 -8.7504 -8.7495 -8.7495 -8.7348 -8.7348 -8.7300 -8.7300 -8.7126 -8.7126 -8.7107 -8.7107 -8.7106 -8.7106 -8.7001 -8.7001 -8.6903 -8.6903 -8.6866 -8.6866 -8.6798 -8.6798 -8.6722 -8.6722 -8.6563 -8.6563 1.5659 1.5659 3.2080 3.2080 k = 0.2805 0.2805 0.2805 ( 11959 PWs) bands (ev): -27.6140 -27.6140 -27.6017 -27.6017 -27.6017 -27.6017 -27.5956 -27.5956 -27.5876 -27.5876 -27.5809 -27.5809 -27.5809 -27.5809 -27.5779 -27.5779 -9.0284 -9.0284 -9.0275 -9.0275 -9.0023 -9.0023 -8.9233 -8.9233 -8.9168 -8.9168 -8.9023 -8.9023 -8.8990 -8.8990 -8.8421 -8.8421 -8.8130 -8.8130 -8.7848 -8.7848 -8.7806 -8.7806 -8.7510 -8.7510 -8.7509 -8.7509 -8.7362 -8.7362 -8.7316 -8.7316 -8.7140 -8.7140 -8.7121 -8.7121 -8.7109 -8.7109 -8.7030 -8.7030 -8.6910 -8.6910 -8.6896 -8.6896 -8.6806 -8.6806 -8.6734 -8.6734 -8.6593 -8.6593 1.6416 1.6416 3.1932 3.1933 k = 0.2927 0.2927 0.2927 ( 11935 PWs) bands (ev): -27.6128 -27.6128 -27.6013 -27.6013 -27.6013 -27.6013 -27.5956 -27.5956 -27.5880 -27.5880 -27.5815 -27.5815 -27.5815 -27.5815 -27.5784 -27.5784 -9.0238 -9.0238 -9.0229 -9.0229 -8.9997 -8.9997 -8.9208 -8.9208 -8.9141 -8.9141 -8.9002 -8.9002 -8.8965 -8.8965 -8.8397 -8.8397 -8.8101 -8.8101 -8.7918 -8.7918 -8.7820 -8.7820 -8.7528 -8.7528 -8.7515 -8.7515 -8.7375 -8.7375 -8.7329 -8.7329 -8.7155 -8.7155 -8.7139 -8.7139 -8.7111 -8.7111 -8.7058 -8.7058 -8.6941 -8.6941 -8.6900 -8.6900 -8.6814 -8.6814 -8.6746 -8.6746 -8.6623 -8.6623 1.7201 1.7201 3.1814 3.1814 k = 0.3049 0.3049 0.3049 ( 11944 PWs) bands (ev): -27.6117 -27.6117 -27.6009 -27.6009 -27.6009 -27.6009 -27.5956 -27.5956 -27.5883 -27.5883 -27.5821 -27.5821 -27.5821 -27.5821 -27.5789 -27.5789 -9.0190 -9.0190 -9.0181 -9.0181 -8.9971 -8.9971 -8.9185 -8.9185 -8.9117 -8.9117 -8.8995 -8.8995 -8.8928 -8.8928 -8.8372 -8.8372 -8.8072 -8.8072 -8.7989 -8.7989 -8.7834 -8.7834 -8.7547 -8.7547 -8.7521 -8.7521 -8.7389 -8.7389 -8.7341 -8.7341 -8.7173 -8.7173 -8.7159 -8.7159 -8.7114 -8.7114 -8.7084 -8.7084 -8.6975 -8.6975 -8.6899 -8.6899 -8.6823 -8.6823 -8.6758 -8.6758 -8.6653 -8.6653 1.8014 1.8014 3.1726 3.1726 k = 0.3171 0.3171 0.3171 ( 11962 PWs) bands (ev): -27.6105 -27.6105 -27.6005 -27.6005 -27.6005 -27.6005 -27.5956 -27.5956 -27.5887 -27.5887 -27.5827 -27.5827 -27.5827 -27.5827 -27.5795 -27.5795 -9.0141 -9.0141 -9.0131 -9.0131 -8.9943 -8.9943 -8.9165 -8.9165 -8.9095 -8.9095 -8.8989 -8.8989 -8.8890 -8.8890 -8.8347 -8.8347 -8.8058 -8.8058 -8.8041 -8.8041 -8.7846 -8.7846 -8.7568 -8.7568 -8.7529 -8.7529 -8.7401 -8.7401 -8.7350 -8.7350 -8.7193 -8.7193 -8.7181 -8.7181 -8.7117 -8.7117 -8.7107 -8.7107 -8.7007 -8.7007 -8.6900 -8.6900 -8.6833 -8.6833 -8.6771 -8.6771 -8.6682 -8.6682 1.8854 1.8854 3.1667 3.1667 k = 0.3293 0.3293 0.3293 ( 11983 PWs) bands (ev): -27.6093 -27.6093 -27.6000 -27.6000 -27.6000 -27.6000 -27.5956 -27.5956 -27.5890 -27.5890 -27.5833 -27.5833 -27.5833 -27.5833 -27.5801 -27.5801 -9.0091 -9.0091 -9.0081 -9.0081 -8.9914 -8.9914 -8.9147 -8.9147 -8.9077 -8.9077 -8.8984 -8.8984 -8.8853 -8.8853 -8.8325 -8.8325 -8.8122 -8.8122 -8.8011 -8.8011 -8.7858 -8.7858 -8.7589 -8.7589 -8.7539 -8.7539 -8.7412 -8.7412 -8.7357 -8.7357 -8.7217 -8.7217 -8.7200 -8.7200 -8.7128 -8.7128 -8.7121 -8.7121 -8.7036 -8.7036 -8.6901 -8.6901 -8.6844 -8.6844 -8.6784 -8.6784 -8.6711 -8.6711 1.9721 1.9721 3.1639 3.1639 k = 0.3415 0.3415 0.3415 ( 11971 PWs) bands (ev): -27.6081 -27.6081 -27.5995 -27.5995 -27.5995 -27.5995 -27.5956 -27.5956 -27.5894 -27.5894 -27.5839 -27.5839 -27.5839 -27.5839 -27.5808 -27.5808 -9.0039 -9.0039 -9.0029 -9.0029 -8.9883 -8.9883 -8.9132 -8.9132 -8.9062 -8.9062 -8.8979 -8.8979 -8.8817 -8.8817 -8.8314 -8.8314 -8.8173 -8.8173 -8.7980 -8.7980 -8.7870 -8.7870 -8.7610 -8.7610 -8.7550 -8.7550 -8.7423 -8.7423 -8.7362 -8.7362 -8.7243 -8.7243 -8.7218 -8.7218 -8.7149 -8.7149 -8.7126 -8.7126 -8.7062 -8.7062 -8.6904 -8.6904 -8.6855 -8.6855 -8.6797 -8.6797 -8.6739 -8.6739 2.0614 2.0614 3.1640 3.1640 k = 0.3537 0.3537 0.3537 ( 11959 PWs) bands (ev): -27.6068 -27.6068 -27.5990 -27.5990 -27.5990 -27.5990 -27.5955 -27.5955 -27.5897 -27.5897 -27.5845 -27.5845 -27.5845 -27.5845 -27.5814 -27.5814 -8.9986 -8.9986 -8.9976 -8.9976 -8.9851 -8.9851 -8.9121 -8.9121 -8.9052 -8.9052 -8.8975 -8.8975 -8.8784 -8.8784 -8.8329 -8.8329 -8.8193 -8.8193 -8.7950 -8.7950 -8.7882 -8.7882 -8.7630 -8.7630 -8.7563 -8.7563 -8.7435 -8.7435 -8.7365 -8.7365 -8.7266 -8.7266 -8.7234 -8.7234 -8.7169 -8.7169 -8.7133 -8.7133 -8.7085 -8.7085 -8.6908 -8.6908 -8.6867 -8.6867 -8.6810 -8.6810 -8.6767 -8.6767 2.1533 2.1533 3.1671 3.1672 k = 0.3659 0.3659 0.3659 ( 11974 PWs) bands (ev): -27.6056 -27.6056 -27.5985 -27.5985 -27.5985 -27.5985 -27.5955 -27.5955 -27.5901 -27.5901 -27.5851 -27.5851 -27.5851 -27.5851 -27.5822 -27.5822 -8.9932 -8.9932 -8.9923 -8.9923 -8.9818 -8.9818 -8.9114 -8.9114 -8.9047 -8.9047 -8.8974 -8.8974 -8.8753 -8.8753 -8.8372 -8.8372 -8.8182 -8.8182 -8.7920 -8.7920 -8.7893 -8.7893 -8.7647 -8.7647 -8.7576 -8.7576 -8.7450 -8.7450 -8.7366 -8.7366 -8.7285 -8.7285 -8.7248 -8.7248 -8.7188 -8.7188 -8.7140 -8.7140 -8.7106 -8.7106 -8.6913 -8.6913 -8.6881 -8.6881 -8.6824 -8.6824 -8.6793 -8.6793 2.2478 2.2478 3.1733 3.1733 k = 0.3780 0.3780 0.3780 ( 11956 PWs) bands (ev): -27.6044 -27.6044 -27.5980 -27.5980 -27.5980 -27.5980 -27.5954 -27.5954 -27.5904 -27.5904 -27.5857 -27.5857 -27.5857 -27.5857 -27.5829 -27.5829 -8.9877 -8.9877 -8.9868 -8.9868 -8.9782 -8.9782 -8.9111 -8.9111 -8.9046 -8.9046 -8.8976 -8.8976 -8.8725 -8.8725 -8.8421 -8.8421 -8.8159 -8.8159 -8.7904 -8.7904 -8.7891 -8.7891 -8.7661 -8.7661 -8.7591 -8.7591 -8.7469 -8.7469 -8.7366 -8.7366 -8.7297 -8.7297 -8.7260 -8.7260 -8.7206 -8.7206 -8.7148 -8.7148 -8.7125 -8.7125 -8.6920 -8.6920 -8.6895 -8.6895 -8.6839 -8.6839 -8.6817 -8.6817 2.3447 2.3447 3.1824 3.1824 k = 0.3902 0.3902 0.3902 ( 11962 PWs) bands (ev): -27.6032 -27.6032 -27.5975 -27.5975 -27.5975 -27.5975 -27.5953 -27.5953 -27.5907 -27.5907 -27.5864 -27.5864 -27.5864 -27.5864 -27.5837 -27.5837 -8.9822 -8.9822 -8.9814 -8.9814 -8.9745 -8.9745 -8.9113 -8.9113 -8.9052 -8.9052 -8.8983 -8.8983 -8.8700 -8.8700 -8.8466 -8.8466 -8.8131 -8.8131 -8.7914 -8.7914 -8.7864 -8.7864 -8.7673 -8.7673 -8.7606 -8.7606 -8.7493 -8.7493 -8.7365 -8.7365 -8.7303 -8.7303 -8.7270 -8.7270 -8.7222 -8.7222 -8.7157 -8.7157 -8.7143 -8.7143 -8.6928 -8.6928 -8.6910 -8.6910 -8.6853 -8.6853 -8.6840 -8.6840 2.4440 2.4440 3.1945 3.1945 k = 0.4024 0.4024 0.4024 ( 11953 PWs) bands (ev): -27.6019 -27.6019 -27.5969 -27.5969 -27.5969 -27.5969 -27.5951 -27.5951 -27.5911 -27.5911 -27.5870 -27.5870 -27.5870 -27.5870 -27.5845 -27.5845 -8.9766 -8.9766 -8.9759 -8.9759 -8.9706 -8.9706 -8.9120 -8.9120 -8.9063 -8.9063 -8.8997 -8.8997 -8.8679 -8.8679 -8.8504 -8.8504 -8.8102 -8.8102 -8.7922 -8.7922 -8.7839 -8.7839 -8.7681 -8.7681 -8.7621 -8.7621 -8.7520 -8.7520 -8.7363 -8.7363 -8.7305 -8.7305 -8.7277 -8.7277 -8.7235 -8.7235 -8.7167 -8.7167 -8.7160 -8.7160 -8.6936 -8.6936 -8.6925 -8.6925 -8.6868 -8.6868 -8.6861 -8.6861 2.5457 2.5457 3.2096 3.2096 k = 0.4146 0.4146 0.4146 ( 11935 PWs) bands (ev): -27.6007 -27.6007 -27.5964 -27.5964 -27.5964 -27.5964 -27.5950 -27.5950 -27.5914 -27.5914 -27.5876 -27.5876 -27.5876 -27.5876 -27.5854 -27.5854 -8.9710 -8.9710 -8.9704 -8.9704 -8.9666 -8.9666 -8.9131 -8.9131 -8.9080 -8.9080 -8.9020 -8.9020 -8.8662 -8.8662 -8.8533 -8.8533 -8.8073 -8.8073 -8.7929 -8.7929 -8.7816 -8.7816 -8.7686 -8.7686 -8.7637 -8.7637 -8.7549 -8.7549 -8.7359 -8.7359 -8.7305 -8.7305 -8.7281 -8.7281 -8.7244 -8.7244 -8.7178 -8.7178 -8.7177 -8.7177 -8.6945 -8.6945 -8.6939 -8.6939 -8.6883 -8.6883 -8.6880 -8.6880 2.6497 2.6497 3.2276 3.2276 k = 0.4268 0.4268 0.4268 ( 11917 PWs) bands (ev): -27.5995 -27.5995 -27.5958 -27.5958 -27.5958 -27.5958 -27.5948 -27.5948 -27.5917 -27.5917 -27.5883 -27.5883 -27.5883 -27.5883 -27.5863 -27.5863 -8.9654 -8.9654 -8.9649 -8.9649 -8.9623 -8.9623 -8.9148 -8.9148 -8.9102 -8.9102 -8.9051 -8.9051 -8.8649 -8.8649 -8.8551 -8.8551 -8.8044 -8.8044 -8.7933 -8.7933 -8.7795 -8.7795 -8.7689 -8.7689 -8.7654 -8.7654 -8.7579 -8.7579 -8.7353 -8.7353 -8.7305 -8.7305 -8.7280 -8.7280 -8.7249 -8.7249 -8.7194 -8.7194 -8.7190 -8.7190 -8.6953 -8.6953 -8.6952 -8.6952 -8.6898 -8.6898 -8.6897 -8.6897 2.7559 2.7559 3.2486 3.2486 k = 0.4390 0.4390 0.4390 ( 11923 PWs) bands (ev): -27.5983 -27.5983 -27.5952 -27.5952 -27.5952 -27.5952 -27.5947 -27.5947 -27.5920 -27.5920 -27.5889 -27.5889 -27.5889 -27.5889 -27.5872 -27.5872 -8.9598 -8.9598 -8.9596 -8.9596 -8.9579 -8.9579 -8.9170 -8.9170 -8.9130 -8.9130 -8.9090 -8.9090 -8.8638 -8.8638 -8.8562 -8.8562 -8.8017 -8.8017 -8.7935 -8.7935 -8.7776 -8.7776 -8.7690 -8.7690 -8.7671 -8.7671 -8.7608 -8.7608 -8.7346 -8.7346 -8.7305 -8.7305 -8.7275 -8.7275 -8.7251 -8.7251 -8.7210 -8.7210 -8.7203 -8.7203 -8.6963 -8.6963 -8.6961 -8.6961 -8.6914 -8.6914 -8.6913 -8.6913 2.8643 2.8643 3.2725 3.2725 k = 0.4512 0.4512 0.4512 ( 11935 PWs) bands (ev): -27.5971 -27.5971 -27.5946 -27.5946 -27.5946 -27.5946 -27.5945 -27.5945 -27.5923 -27.5923 -27.5896 -27.5896 -27.5896 -27.5896 -27.5882 -27.5882 -8.9543 -8.9543 -8.9543 -8.9543 -8.9533 -8.9533 -8.9196 -8.9196 -8.9163 -8.9163 -8.9134 -8.9134 -8.8629 -8.8629 -8.8568 -8.8568 -8.7992 -8.7992 -8.7934 -8.7934 -8.7760 -8.7760 -8.7691 -8.7691 -8.7687 -8.7687 -8.7636 -8.7636 -8.7337 -8.7337 -8.7305 -8.7305 -8.7268 -8.7268 -8.7251 -8.7251 -8.7225 -8.7225 -8.7217 -8.7217 -8.6971 -8.6971 -8.6968 -8.6968 -8.6928 -8.6928 -8.6928 -8.6928 2.9749 2.9749 3.2993 3.2993 k = 0.4634 0.4634 0.4634 ( 11917 PWs) bands (ev): -27.5960 -27.5960 -27.5943 -27.5943 -27.5940 -27.5940 -27.5940 -27.5940 -27.5926 -27.5926 -27.5902 -27.5902 -27.5902 -27.5902 -27.5892 -27.5892 -8.9491 -8.9491 -8.9488 -8.9488 -8.9486 -8.9486 -8.9227 -8.9227 -8.9200 -8.9200 -8.9182 -8.9182 -8.8619 -8.8619 -8.8573 -8.8573 -8.7970 -8.7970 -8.7932 -8.7932 -8.7745 -8.7745 -8.7701 -8.7701 -8.7693 -8.7693 -8.7661 -8.7661 -8.7326 -8.7326 -8.7303 -8.7303 -8.7263 -8.7263 -8.7251 -8.7251 -8.7238 -8.7238 -8.7233 -8.7233 -8.6975 -8.6975 -8.6973 -8.6973 -8.6941 -8.6941 -8.6941 -8.6941 3.0876 3.0876 3.3291 3.3291 k = 0.4756 0.4756 0.4756 ( 11926 PWs) bands (ev): -27.5949 -27.5949 -27.5941 -27.5941 -27.5934 -27.5934 -27.5934 -27.5934 -27.5928 -27.5928 -27.5909 -27.5909 -27.5909 -27.5909 -27.5902 -27.5902 -8.9440 -8.9440 -8.9438 -8.9438 -8.9435 -8.9435 -8.9263 -8.9263 -8.9241 -8.9241 -8.9233 -8.9233 -8.8610 -8.8610 -8.8578 -8.8578 -8.7952 -8.7952 -8.7930 -8.7930 -8.7732 -8.7732 -8.7710 -8.7710 -8.7697 -8.7697 -8.7683 -8.7683 -8.7313 -8.7313 -8.7298 -8.7298 -8.7263 -8.7263 -8.7250 -8.7250 -8.7249 -8.7249 -8.7243 -8.7243 -8.6977 -8.6977 -8.6975 -8.6975 -8.6953 -8.6953 -8.6953 -8.6953 3.2024 3.2024 3.3617 3.3617 k = 0.4878 0.4878 0.4878 ( 11956 PWs) bands (ev): -27.5941 -27.5941 -27.5940 -27.5940 -27.5928 -27.5928 -27.5928 -27.5928 -27.5927 -27.5927 -27.5915 -27.5915 -27.5915 -27.5915 -27.5912 -27.5912 -8.9391 -8.9391 -8.9389 -8.9389 -8.9383 -8.9383 -8.9302 -8.9302 -8.9286 -8.9286 -8.9284 -8.9284 -8.8601 -8.8601 -8.8585 -8.8585 -8.7939 -8.7939 -8.7929 -8.7929 -8.7720 -8.7720 -8.7714 -8.7714 -8.7703 -8.7703 -8.7700 -8.7700 -8.7298 -8.7298 -8.7291 -8.7291 -8.7272 -8.7272 -8.7266 -8.7266 -8.7248 -8.7248 -8.7244 -8.7244 -8.6975 -8.6975 -8.6974 -8.6974 -8.6963 -8.6963 -8.6963 -8.6963 3.3191 3.3191 3.3971 3.3971 k = 0.5000 0.5000 0.5000 ( 11992 PWs) bands (ev): -27.5939 -27.5939 -27.5939 -27.5939 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -8.9349 -8.9349 -8.9349 -8.9349 -8.9333 -8.9333 -8.9333 -8.9333 -8.9333 -8.9333 -8.9333 -8.9333 -8.8592 -8.8592 -8.8592 -8.8592 -8.7931 -8.7931 -8.7931 -8.7931 -8.7710 -8.7710 -8.7710 -8.7710 -8.7710 -8.7710 -8.7710 -8.7710 -8.7282 -8.7282 -8.7282 -8.7282 -8.7282 -8.7282 -8.7282 -8.7282 -8.7245 -8.7245 -8.7245 -8.7245 -8.6970 -8.6970 -8.6970 -8.6970 -8.6970 -8.6970 -8.6970 -8.6970 3.4355 3.4355 3.4355 3.4355 k = 0.5000 0.5000 0.5000 ( 11992 PWs) bands (ev): -27.5939 -27.5939 -27.5939 -27.5939 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -8.9349 -8.9349 -8.9349 -8.9349 -8.9333 -8.9333 -8.9333 -8.9333 -8.9333 -8.9333 -8.9333 -8.9333 -8.8592 -8.8592 -8.8592 -8.8592 -8.7931 -8.7931 -8.7931 -8.7931 -8.7710 -8.7710 -8.7710 -8.7710 -8.7710 -8.7710 -8.7710 -8.7710 -8.7282 -8.7282 -8.7282 -8.7282 -8.7282 -8.7282 -8.7282 -8.7282 -8.7245 -8.7245 -8.7245 -8.7245 -8.6970 -8.6970 -8.6970 -8.6970 -8.6970 -8.6970 -8.6970 -8.6970 3.4354 3.4355 3.4355 3.4355 k = 0.4853 0.5000 0.4853 ( 11964 PWs) bands (ev): -27.5940 -27.5940 -27.5940 -27.5940 -27.5929 -27.5929 -27.5929 -27.5929 -27.5921 -27.5921 -27.5921 -27.5921 -27.5913 -27.5913 -27.5913 -27.5913 -8.9400 -8.9400 -8.9397 -8.9397 -8.9342 -8.9342 -8.9335 -8.9335 -8.9285 -8.9285 -8.9276 -8.9276 -8.8601 -8.8601 -8.8585 -8.8585 -8.7938 -8.7938 -8.7929 -8.7929 -8.7720 -8.7720 -8.7714 -8.7714 -8.7702 -8.7702 -8.7701 -8.7701 -8.7299 -8.7299 -8.7289 -8.7289 -8.7274 -8.7274 -8.7265 -8.7265 -8.7248 -8.7248 -8.7244 -8.7244 -8.6975 -8.6975 -8.6973 -8.6973 -8.6964 -8.6964 -8.6962 -8.6962 3.3426 3.3426 3.3427 3.3427 k = 0.4706 0.5000 0.4706 ( 11912 PWs) bands (ev): -27.5946 -27.5946 -27.5946 -27.5946 -27.5934 -27.5934 -27.5934 -27.5934 -27.5920 -27.5920 -27.5920 -27.5920 -27.5903 -27.5903 -27.5903 -27.5903 -8.9460 -8.9460 -8.9459 -8.9459 -8.9344 -8.9344 -8.9331 -8.9331 -8.9234 -8.9234 -8.9220 -8.9220 -8.8610 -8.8610 -8.8578 -8.8578 -8.7950 -8.7950 -8.7931 -8.7931 -8.7729 -8.7729 -8.7715 -8.7715 -8.7689 -8.7689 -8.7688 -8.7688 -8.7314 -8.7314 -8.7295 -8.7295 -8.7266 -8.7266 -8.7251 -8.7251 -8.7250 -8.7250 -8.7242 -8.7242 -8.6978 -8.6978 -8.6973 -8.6973 -8.6954 -8.6954 -8.6953 -8.6953 3.2498 3.2498 3.2499 3.2499 k = 0.4559 0.5000 0.4559 ( 11916 PWs) bands (ev): -27.5955 -27.5955 -27.5955 -27.5955 -27.5936 -27.5936 -27.5936 -27.5936 -27.5918 -27.5918 -27.5918 -27.5918 -27.5894 -27.5894 -27.5894 -27.5894 -8.9524 -8.9524 -8.9521 -8.9521 -8.9345 -8.9345 -8.9326 -8.9326 -8.9187 -8.9187 -8.9168 -8.9168 -8.8619 -8.8619 -8.8574 -8.8574 -8.7965 -8.7965 -8.7937 -8.7937 -8.7739 -8.7739 -8.7715 -8.7715 -8.7675 -8.7675 -8.7671 -8.7671 -8.7327 -8.7327 -8.7298 -8.7298 -8.7265 -8.7265 -8.7250 -8.7250 -8.7245 -8.7245 -8.7227 -8.7227 -8.6978 -8.6978 -8.6970 -8.6970 -8.6942 -8.6942 -8.6941 -8.6941 3.1592 3.1592 3.1593 3.1593 k = 0.4412 0.5000 0.4412 ( 11914 PWs) bands (ev): -27.5964 -27.5964 -27.5964 -27.5964 -27.5938 -27.5938 -27.5938 -27.5938 -27.5916 -27.5916 -27.5916 -27.5916 -27.5885 -27.5885 -27.5885 -27.5885 -8.9590 -8.9590 -8.9584 -8.9584 -8.9345 -8.9345 -8.9320 -8.9320 -8.9145 -8.9145 -8.9122 -8.9122 -8.8628 -8.8628 -8.8570 -8.8570 -8.7984 -8.7984 -8.7945 -8.7945 -8.7748 -8.7748 -8.7718 -8.7718 -8.7655 -8.7655 -8.7651 -8.7651 -8.7339 -8.7339 -8.7300 -8.7300 -8.7269 -8.7269 -8.7252 -8.7252 -8.7234 -8.7234 -8.7211 -8.7211 -8.6976 -8.6976 -8.6963 -8.6963 -8.6929 -8.6929 -8.6928 -8.6928 3.0709 3.0709 3.0710 3.0710 k = 0.4265 0.5000 0.4265 ( 11922 PWs) bands (ev): -27.5974 -27.5974 -27.5974 -27.5974 -27.5940 -27.5940 -27.5940 -27.5940 -27.5913 -27.5913 -27.5913 -27.5913 -27.5876 -27.5876 -27.5876 -27.5876 -8.9656 -8.9656 -8.9648 -8.9648 -8.9345 -8.9345 -8.9314 -8.9314 -8.9107 -8.9107 -8.9081 -8.9081 -8.8635 -8.8635 -8.8568 -8.8568 -8.8005 -8.8005 -8.7955 -8.7955 -8.7756 -8.7756 -8.7725 -8.7725 -8.7631 -8.7631 -8.7629 -8.7629 -8.7349 -8.7349 -8.7299 -8.7299 -8.7273 -8.7273 -8.7254 -8.7254 -8.7221 -8.7221 -8.7196 -8.7196 -8.6970 -8.6970 -8.6955 -8.6955 -8.6916 -8.6916 -8.6913 -8.6913 2.9850 2.9850 2.9850 2.9850 k = 0.4118 0.5000 0.4118 ( 11926 PWs) bands (ev): -27.5983 -27.5983 -27.5983 -27.5983 -27.5942 -27.5942 -27.5942 -27.5942 -27.5911 -27.5911 -27.5911 -27.5911 -27.5867 -27.5867 -27.5867 -27.5867 -8.9723 -8.9723 -8.9713 -8.9713 -8.9344 -8.9344 -8.9307 -8.9307 -8.9076 -8.9076 -8.9048 -8.9048 -8.8640 -8.8640 -8.8566 -8.8566 -8.8028 -8.8028 -8.7964 -8.7964 -8.7764 -8.7764 -8.7735 -8.7735 -8.7607 -8.7607 -8.7603 -8.7603 -8.7359 -8.7359 -8.7297 -8.7297 -8.7274 -8.7274 -8.7254 -8.7254 -8.7206 -8.7206 -8.7181 -8.7181 -8.6962 -8.6962 -8.6945 -8.6945 -8.6902 -8.6902 -8.6895 -8.6895 2.9014 2.9014 2.9015 2.9015 k = 0.3971 0.5000 0.3971 ( 11942 PWs) bands (ev): -27.5993 -27.5993 -27.5993 -27.5993 -27.5943 -27.5943 -27.5943 -27.5943 -27.5908 -27.5908 -27.5908 -27.5908 -27.5858 -27.5858 -27.5858 -27.5858 -8.9789 -8.9789 -8.9778 -8.9778 -8.9343 -8.9343 -8.9300 -8.9300 -8.9051 -8.9051 -8.9023 -8.9023 -8.8641 -8.8641 -8.8564 -8.8564 -8.8053 -8.8053 -8.7974 -8.7974 -8.7770 -8.7770 -8.7749 -8.7749 -8.7586 -8.7586 -8.7573 -8.7573 -8.7370 -8.7370 -8.7293 -8.7293 -8.7272 -8.7272 -8.7252 -8.7252 -8.7190 -8.7190 -8.7168 -8.7168 -8.6953 -8.6953 -8.6934 -8.6934 -8.6886 -8.6886 -8.6877 -8.6877 2.8203 2.8203 2.8204 2.8204 k = 0.3824 0.5000 0.3824 ( 11950 PWs) bands (ev): -27.6003 -27.6003 -27.6003 -27.6003 -27.5945 -27.5945 -27.5945 -27.5945 -27.5905 -27.5905 -27.5905 -27.5905 -27.5850 -27.5850 -27.5850 -27.5850 -8.9855 -8.9855 -8.9842 -8.9842 -8.9341 -8.9341 -8.9292 -8.9292 -8.9032 -8.9032 -8.9007 -8.9007 -8.8638 -8.8638 -8.8561 -8.8561 -8.8078 -8.8078 -8.7983 -8.7983 -8.7776 -8.7776 -8.7764 -8.7764 -8.7567 -8.7567 -8.7542 -8.7542 -8.7380 -8.7380 -8.7287 -8.7287 -8.7264 -8.7264 -8.7247 -8.7247 -8.7174 -8.7174 -8.7156 -8.7156 -8.6942 -8.6942 -8.6923 -8.6923 -8.6870 -8.6870 -8.6857 -8.6857 2.7417 2.7417 2.7418 2.7418 k = 0.3676 0.5000 0.3676 ( 11954 PWs) bands (ev): -27.6013 -27.6013 -27.6013 -27.6013 -27.5946 -27.5946 -27.5946 -27.5946 -27.5902 -27.5902 -27.5902 -27.5902 -27.5842 -27.5842 -27.5842 -27.5842 -8.9920 -8.9920 -8.9907 -8.9907 -8.9338 -8.9338 -8.9284 -8.9284 -8.9022 -8.9022 -8.9000 -8.9000 -8.8631 -8.8631 -8.8557 -8.8557 -8.8104 -8.8104 -8.7992 -8.7992 -8.7781 -8.7781 -8.7780 -8.7780 -8.7550 -8.7550 -8.7512 -8.7512 -8.7388 -8.7388 -8.7278 -8.7278 -8.7253 -8.7253 -8.7239 -8.7239 -8.7157 -8.7157 -8.7144 -8.7144 -8.6932 -8.6932 -8.6912 -8.6912 -8.6853 -8.6853 -8.6835 -8.6835 2.6656 2.6656 2.6657 2.6657 k = 0.3529 0.5000 0.3529 ( 11950 PWs) bands (ev): -27.6022 -27.6022 -27.6022 -27.6022 -27.5947 -27.5947 -27.5947 -27.5947 -27.5899 -27.5899 -27.5899 -27.5899 -27.5834 -27.5834 -27.5834 -27.5834 -8.9984 -8.9984 -8.9970 -8.9970 -8.9335 -8.9335 -8.9275 -8.9275 -8.9018 -8.9018 -8.9002 -8.9002 -8.8619 -8.8619 -8.8552 -8.8552 -8.8130 -8.8130 -8.8002 -8.8002 -8.7797 -8.7797 -8.7786 -8.7786 -8.7538 -8.7538 -8.7489 -8.7489 -8.7392 -8.7392 -8.7266 -8.7266 -8.7236 -8.7236 -8.7228 -8.7228 -8.7140 -8.7140 -8.7131 -8.7131 -8.6921 -8.6921 -8.6902 -8.6902 -8.6834 -8.6834 -8.6813 -8.6813 2.5921 2.5921 2.5921 2.5921 k = 0.3382 0.5000 0.3382 ( 11966 PWs) bands (ev): -27.6032 -27.6032 -27.6032 -27.6032 -27.5949 -27.5949 -27.5949 -27.5949 -27.5896 -27.5896 -27.5896 -27.5896 -27.5826 -27.5826 -27.5826 -27.5826 -9.0047 -9.0047 -9.0033 -9.0033 -8.9331 -8.9331 -8.9267 -8.9267 -8.9022 -8.9022 -8.9010 -8.9010 -8.8605 -8.8605 -8.8544 -8.8544 -8.8156 -8.8156 -8.8012 -8.8012 -8.7812 -8.7812 -8.7790 -8.7790 -8.7529 -8.7529 -8.7477 -8.7477 -8.7386 -8.7386 -8.7250 -8.7250 -8.7215 -8.7215 -8.7215 -8.7215 -8.7122 -8.7122 -8.7118 -8.7118 -8.6911 -8.6911 -8.6893 -8.6893 -8.6814 -8.6814 -8.6789 -8.6789 2.5211 2.5211 2.5212 2.5212 k = 0.3235 0.5000 0.3235 ( 11958 PWs) bands (ev): -27.6041 -27.6041 -27.6041 -27.6041 -27.5950 -27.5950 -27.5950 -27.5950 -27.5893 -27.5893 -27.5893 -27.5893 -27.5819 -27.5819 -27.5819 -27.5819 -9.0109 -9.0109 -9.0094 -9.0094 -8.9327 -8.9327 -8.9260 -8.9260 -8.9031 -8.9031 -8.9023 -8.9023 -8.8590 -8.8590 -8.8535 -8.8535 -8.8181 -8.8181 -8.8024 -8.8024 -8.7825 -8.7825 -8.7794 -8.7794 -8.7525 -8.7525 -8.7477 -8.7477 -8.7372 -8.7372 -8.7232 -8.7232 -8.7200 -8.7200 -8.7189 -8.7189 -8.7104 -8.7104 -8.7103 -8.7103 -8.6903 -8.6903 -8.6885 -8.6885 -8.6792 -8.6792 -8.6763 -8.6763 2.4529 2.4529 2.4529 2.4529 k = 0.3088 0.5000 0.3088 ( 11946 PWs) bands (ev): -27.6050 -27.6050 -27.6050 -27.6050 -27.5951 -27.5951 -27.5951 -27.5951 -27.5890 -27.5890 -27.5890 -27.5890 -27.5812 -27.5812 -27.5812 -27.5812 -9.0168 -9.0168 -9.0153 -9.0153 -8.9323 -8.9323 -8.9254 -8.9254 -8.9046 -8.9046 -8.9039 -8.9039 -8.8576 -8.8576 -8.8523 -8.8523 -8.8204 -8.8204 -8.8037 -8.8037 -8.7835 -8.7835 -8.7796 -8.7796 -8.7524 -8.7524 -8.7484 -8.7484 -8.7354 -8.7354 -8.7216 -8.7216 -8.7181 -8.7181 -8.7160 -8.7160 -8.7087 -8.7087 -8.7082 -8.7082 -8.6895 -8.6895 -8.6879 -8.6879 -8.6770 -8.6770 -8.6737 -8.6737 2.3873 2.3873 2.3874 2.3874 k = 0.2941 0.5000 0.2941 ( 11942 PWs) bands (ev): -27.6058 -27.6058 -27.6058 -27.6058 -27.5952 -27.5952 -27.5952 -27.5952 -27.5887 -27.5887 -27.5887 -27.5887 -27.5805 -27.5805 -27.5805 -27.5805 -9.0226 -9.0226 -9.0211 -9.0211 -8.9319 -8.9319 -8.9251 -8.9251 -8.9065 -8.9065 -8.9055 -8.9055 -8.8562 -8.8562 -8.8511 -8.8511 -8.8225 -8.8225 -8.8052 -8.8052 -8.7842 -8.7842 -8.7799 -8.7799 -8.7525 -8.7525 -8.7493 -8.7493 -8.7337 -8.7337 -8.7203 -8.7203 -8.7158 -8.7158 -8.7130 -8.7130 -8.7068 -8.7068 -8.7059 -8.7059 -8.6889 -8.6889 -8.6874 -8.6874 -8.6746 -8.6746 -8.6709 -8.6709 2.3245 2.3245 2.3245 2.3245 k = 0.2794 0.5000 0.2794 ( 11952 PWs) bands (ev): -27.6067 -27.6067 -27.6067 -27.6067 -27.5953 -27.5953 -27.5953 -27.5953 -27.5884 -27.5884 -27.5884 -27.5884 -27.5799 -27.5799 -27.5799 -27.5799 -9.0282 -9.0282 -9.0267 -9.0267 -8.9316 -8.9316 -8.9252 -8.9252 -8.9086 -8.9086 -8.9068 -8.9068 -8.8551 -8.8551 -8.8498 -8.8498 -8.8244 -8.8244 -8.8070 -8.8070 -8.7845 -8.7845 -8.7800 -8.7800 -8.7528 -8.7528 -8.7504 -8.7504 -8.7323 -8.7323 -8.7194 -8.7194 -8.7133 -8.7133 -8.7103 -8.7103 -8.7047 -8.7047 -8.7031 -8.7031 -8.6883 -8.6883 -8.6869 -8.6869 -8.6721 -8.6721 -8.6681 -8.6681 2.2644 2.2644 2.2645 2.2645 k = 0.2647 0.5000 0.2647 ( 11944 PWs) bands (ev): -27.6075 -27.6075 -27.6075 -27.6075 -27.5954 -27.5954 -27.5954 -27.5954 -27.5881 -27.5881 -27.5881 -27.5881 -27.5793 -27.5793 -27.5793 -27.5793 -9.0336 -9.0336 -9.0321 -9.0321 -8.9314 -8.9314 -8.9258 -8.9258 -8.9108 -8.9108 -8.9078 -8.9078 -8.8544 -8.8544 -8.8485 -8.8485 -8.8260 -8.8260 -8.8089 -8.8089 -8.7845 -8.7845 -8.7801 -8.7801 -8.7532 -8.7532 -8.7514 -8.7514 -8.7311 -8.7311 -8.7188 -8.7188 -8.7108 -8.7108 -8.7081 -8.7081 -8.7023 -8.7023 -8.6998 -8.6998 -8.6877 -8.6877 -8.6865 -8.6865 -8.6695 -8.6695 -8.6652 -8.6652 2.2072 2.2072 2.2072 2.2072 k = 0.2500 0.5000 0.2500 ( 11944 PWs) bands (ev): -27.6083 -27.6083 -27.6083 -27.6083 -27.5955 -27.5955 -27.5955 -27.5955 -27.5878 -27.5878 -27.5878 -27.5878 -27.5787 -27.5787 -27.5787 -27.5787 -9.0387 -9.0387 -9.0373 -9.0373 -8.9314 -8.9314 -8.9271 -8.9271 -8.9130 -8.9130 -8.9082 -8.9082 -8.8539 -8.8539 -8.8471 -8.8471 -8.8271 -8.8271 -8.8110 -8.8110 -8.7842 -8.7842 -8.7800 -8.7800 -8.7536 -8.7536 -8.7524 -8.7524 -8.7302 -8.7302 -8.7185 -8.7185 -8.7084 -8.7084 -8.7063 -8.7063 -8.6999 -8.6999 -8.6963 -8.6963 -8.6871 -8.6871 -8.6860 -8.6860 -8.6668 -8.6668 -8.6622 -8.6622 2.1528 2.1528 2.1528 2.1528 k = 0.2353 0.5000 0.2353 ( 11946 PWs) bands (ev): -27.6091 -27.6091 -27.6091 -27.6091 -27.5955 -27.5955 -27.5955 -27.5955 -27.5875 -27.5875 -27.5875 -27.5875 -27.5781 -27.5781 -27.5781 -27.5781 -9.0436 -9.0436 -9.0423 -9.0423 -8.9318 -8.9318 -8.9290 -8.9290 -8.9148 -8.9148 -8.9081 -8.9081 -8.8539 -8.8539 -8.8459 -8.8459 -8.8279 -8.8279 -8.8131 -8.8131 -8.7836 -8.7836 -8.7799 -8.7799 -8.7540 -8.7540 -8.7534 -8.7534 -8.7296 -8.7296 -8.7184 -8.7184 -8.7062 -8.7062 -8.7049 -8.7049 -8.6975 -8.6975 -8.6926 -8.6926 -8.6864 -8.6864 -8.6855 -8.6855 -8.6641 -8.6641 -8.6591 -8.6591 2.1013 2.1013 2.1013 2.1013 k = 0.2206 0.5000 0.2206 ( 11934 PWs) bands (ev): -27.6098 -27.6098 -27.6098 -27.6098 -27.5956 -27.5956 -27.5956 -27.5956 -27.5872 -27.5872 -27.5872 -27.5872 -27.5776 -27.5776 -27.5776 -27.5776 -9.0483 -9.0483 -9.0470 -9.0470 -8.9327 -8.9327 -8.9312 -8.9312 -8.9162 -8.9162 -8.9076 -8.9076 -8.8542 -8.8542 -8.8447 -8.8447 -8.8283 -8.8283 -8.8152 -8.8152 -8.7828 -8.7828 -8.7796 -8.7796 -8.7544 -8.7544 -8.7542 -8.7542 -8.7291 -8.7291 -8.7186 -8.7186 -8.7044 -8.7044 -8.7038 -8.7038 -8.6953 -8.6953 -8.6891 -8.6891 -8.6854 -8.6854 -8.6848 -8.6848 -8.6612 -8.6612 -8.6561 -8.6561 2.0527 2.0527 2.0528 2.0528 k = 0.2059 0.5000 0.2059 ( 11950 PWs) bands (ev): -27.6105 -27.6105 -27.6105 -27.6105 -27.5957 -27.5957 -27.5957 -27.5957 -27.5869 -27.5869 -27.5869 -27.5869 -27.5772 -27.5772 -27.5772 -27.5772 -9.0527 -9.0527 -9.0514 -9.0514 -8.9341 -8.9341 -8.9338 -8.9338 -8.9170 -8.9170 -8.9069 -8.9069 -8.8548 -8.8548 -8.8437 -8.8437 -8.8284 -8.8284 -8.8172 -8.8172 -8.7817 -8.7817 -8.7792 -8.7792 -8.7550 -8.7550 -8.7548 -8.7548 -8.7290 -8.7290 -8.7189 -8.7189 -8.7030 -8.7030 -8.7029 -8.7029 -8.6932 -8.6932 -8.6864 -8.6864 -8.6840 -8.6840 -8.6835 -8.6835 -8.6582 -8.6582 -8.6530 -8.6530 2.0071 2.0071 2.0071 2.0071 k = 0.1912 0.5000 0.1912 ( 11958 PWs) bands (ev): -27.6111 -27.6111 -27.6111 -27.6111 -27.5957 -27.5957 -27.5957 -27.5957 -27.5866 -27.5866 -27.5866 -27.5866 -27.5767 -27.5767 -27.5767 -27.5767 -9.0568 -9.0568 -9.0556 -9.0556 -8.9364 -8.9364 -8.9361 -8.9361 -8.9172 -8.9172 -8.9060 -8.9060 -8.8556 -8.8556 -8.8428 -8.8428 -8.8282 -8.8282 -8.8191 -8.8191 -8.7804 -8.7804 -8.7786 -8.7786 -8.7557 -8.7557 -8.7552 -8.7552 -8.7290 -8.7290 -8.7195 -8.7195 -8.7025 -8.7025 -8.7018 -8.7018 -8.6914 -8.6914 -8.6849 -8.6849 -8.6824 -8.6824 -8.6811 -8.6811 -8.6551 -8.6551 -8.6500 -8.6500 1.9645 1.9645 1.9645 1.9645 k = 0.1765 0.5000 0.1765 ( 11950 PWs) bands (ev): -27.6118 -27.6118 -27.6118 -27.6118 -27.5958 -27.5958 -27.5958 -27.5958 -27.5864 -27.5864 -27.5864 -27.5864 -27.5763 -27.5763 -27.5763 -27.5763 -9.0606 -9.0606 -9.0595 -9.0595 -8.9391 -8.9391 -8.9383 -8.9383 -8.9170 -8.9170 -8.9051 -8.9051 -8.8565 -8.8565 -8.8422 -8.8422 -8.8278 -8.8278 -8.8208 -8.8208 -8.7790 -8.7790 -8.7779 -8.7779 -8.7563 -8.7563 -8.7555 -8.7555 -8.7294 -8.7294 -8.7204 -8.7204 -8.7022 -8.7022 -8.7010 -8.7010 -8.6897 -8.6897 -8.6839 -8.6839 -8.6805 -8.6805 -8.6784 -8.6784 -8.6520 -8.6520 -8.6470 -8.6470 1.9249 1.9249 1.9249 1.9249 k = 0.1618 0.5000 0.1618 ( 11958 PWs) bands (ev): -27.6123 -27.6123 -27.6123 -27.6123 -27.5958 -27.5958 -27.5958 -27.5958 -27.5861 -27.5861 -27.5861 -27.5861 -27.5759 -27.5759 -27.5759 -27.5759 -9.0641 -9.0641 -9.0631 -9.0631 -8.9418 -8.9418 -8.9407 -8.9407 -8.9165 -8.9165 -8.9043 -8.9043 -8.8574 -8.8574 -8.8420 -8.8420 -8.8273 -8.8273 -8.8223 -8.8223 -8.7774 -8.7774 -8.7771 -8.7771 -8.7568 -8.7568 -8.7558 -8.7558 -8.7299 -8.7299 -8.7214 -8.7214 -8.7021 -8.7021 -8.7007 -8.7007 -8.6881 -8.6881 -8.6831 -8.6831 -8.6785 -8.6785 -8.6758 -8.6758 -8.6489 -8.6489 -8.6441 -8.6441 1.8883 1.8883 1.8884 1.8884 k = 0.1471 0.5000 0.1471 ( 11958 PWs) bands (ev): -27.6129 -27.6129 -27.6129 -27.6129 -27.5959 -27.5959 -27.5959 -27.5959 -27.5859 -27.5859 -27.5859 -27.5859 -27.5756 -27.5756 -27.5756 -27.5756 -9.0674 -9.0674 -9.0664 -9.0664 -8.9443 -8.9443 -8.9432 -8.9432 -8.9157 -8.9157 -8.9035 -8.9035 -8.8582 -8.8582 -8.8421 -8.8421 -8.8268 -8.8268 -8.8234 -8.8234 -8.7761 -8.7761 -8.7756 -8.7756 -8.7573 -8.7573 -8.7560 -8.7560 -8.7307 -8.7307 -8.7226 -8.7226 -8.7020 -8.7020 -8.7005 -8.7005 -8.6866 -8.6866 -8.6822 -8.6822 -8.6765 -8.6765 -8.6735 -8.6735 -8.6458 -8.6458 -8.6414 -8.6414 1.8549 1.8549 1.8549 1.8549 k = 0.1324 0.5000 0.1324 ( 11966 PWs) bands (ev): -27.6133 -27.6133 -27.6133 -27.6133 -27.5959 -27.5959 -27.5959 -27.5959 -27.5857 -27.5857 -27.5857 -27.5857 -27.5753 -27.5753 -27.5753 -27.5753 -9.0703 -9.0703 -9.0695 -9.0695 -8.9467 -8.9467 -8.9456 -8.9456 -8.9148 -8.9148 -8.9028 -8.9028 -8.8589 -8.8589 -8.8425 -8.8425 -8.8263 -8.8263 -8.8242 -8.8242 -8.7750 -8.7750 -8.7738 -8.7738 -8.7577 -8.7577 -8.7561 -8.7561 -8.7316 -8.7316 -8.7241 -8.7241 -8.7021 -8.7021 -8.7005 -8.7005 -8.6852 -8.6852 -8.6814 -8.6814 -8.6745 -8.6745 -8.6715 -8.6715 -8.6429 -8.6429 -8.6388 -8.6388 1.8245 1.8245 1.8245 1.8245 k = 0.1176 0.5000 0.1176 ( 11958 PWs) bands (ev): -27.6138 -27.6138 -27.6138 -27.6138 -27.5959 -27.5959 -27.5959 -27.5959 -27.5855 -27.5855 -27.5855 -27.5855 -27.5750 -27.5750 -27.5750 -27.5750 -9.0730 -9.0730 -9.0722 -9.0722 -8.9489 -8.9489 -8.9479 -8.9479 -8.9139 -8.9139 -8.9023 -8.9023 -8.8594 -8.8594 -8.8434 -8.8434 -8.8258 -8.8258 -8.8246 -8.8246 -8.7737 -8.7737 -8.7718 -8.7718 -8.7580 -8.7580 -8.7562 -8.7562 -8.7328 -8.7328 -8.7258 -8.7258 -8.7022 -8.7022 -8.7007 -8.7007 -8.6838 -8.6838 -8.6806 -8.6806 -8.6727 -8.6727 -8.6697 -8.6697 -8.6401 -8.6401 -8.6364 -8.6364 1.7973 1.7973 1.7973 1.7973 k = 0.1029 0.5000 0.1029 ( 11958 PWs) bands (ev): -27.6142 -27.6142 -27.6142 -27.6142 -27.5959 -27.5959 -27.5959 -27.5959 -27.5853 -27.5853 -27.5853 -27.5853 -27.5748 -27.5748 -27.5748 -27.5748 -9.0753 -9.0753 -9.0746 -9.0746 -8.9510 -8.9510 -8.9500 -8.9500 -8.9128 -8.9128 -8.9020 -8.9020 -8.8597 -8.8597 -8.8445 -8.8445 -8.8253 -8.8253 -8.8248 -8.8248 -8.7724 -8.7724 -8.7698 -8.7698 -8.7583 -8.7583 -8.7563 -8.7563 -8.7341 -8.7341 -8.7276 -8.7276 -8.7023 -8.7023 -8.7009 -8.7009 -8.6826 -8.6826 -8.6799 -8.6799 -8.6710 -8.6710 -8.6682 -8.6682 -8.6375 -8.6375 -8.6342 -8.6342 1.7732 1.7732 1.7732 1.7732 k = 0.0882 0.5000 0.0882 ( 11958 PWs) bands (ev): -27.6145 -27.6145 -27.6145 -27.6145 -27.5960 -27.5960 -27.5960 -27.5960 -27.5852 -27.5852 -27.5852 -27.5852 -27.5746 -27.5746 -27.5746 -27.5746 -9.0773 -9.0773 -9.0767 -9.0767 -8.9527 -8.9527 -8.9519 -8.9519 -8.9117 -8.9117 -8.9019 -8.9019 -8.8597 -8.8597 -8.8459 -8.8459 -8.8248 -8.8248 -8.8248 -8.8248 -8.7709 -8.7709 -8.7678 -8.7678 -8.7585 -8.7585 -8.7563 -8.7563 -8.7355 -8.7355 -8.7295 -8.7295 -8.7024 -8.7024 -8.7011 -8.7011 -8.6815 -8.6815 -8.6793 -8.6793 -8.6695 -8.6695 -8.6670 -8.6670 -8.6351 -8.6351 -8.6323 -8.6323 1.7523 1.7523 1.7523 1.7523 k = 0.0735 0.5000 0.0735 ( 11970 PWs) bands (ev): -27.6148 -27.6148 -27.6148 -27.6148 -27.5960 -27.5960 -27.5960 -27.5960 -27.5850 -27.5850 -27.5850 -27.5850 -27.5744 -27.5744 -27.5744 -27.5744 -9.0790 -9.0790 -9.0785 -9.0785 -8.9543 -8.9543 -8.9535 -8.9535 -8.9106 -8.9106 -8.9020 -8.9020 -8.8595 -8.8595 -8.8474 -8.8474 -8.8246 -8.8246 -8.8245 -8.8245 -8.7694 -8.7694 -8.7659 -8.7659 -8.7586 -8.7586 -8.7563 -8.7563 -8.7369 -8.7369 -8.7315 -8.7315 -8.7025 -8.7025 -8.7014 -8.7014 -8.6805 -8.6805 -8.6787 -8.6787 -8.6682 -8.6682 -8.6660 -8.6660 -8.6330 -8.6330 -8.6306 -8.6306 1.7345 1.7345 1.7346 1.7346 k = 0.0588 0.5000 0.0588 ( 11958 PWs) bands (ev): -27.6150 -27.6150 -27.6150 -27.6150 -27.5960 -27.5960 -27.5960 -27.5960 -27.5849 -27.5849 -27.5849 -27.5849 -27.5742 -27.5742 -27.5742 -27.5742 -9.0804 -9.0804 -9.0800 -9.0800 -8.9555 -8.9555 -8.9549 -8.9549 -8.9094 -8.9094 -8.9023 -8.9023 -8.8590 -8.8590 -8.8490 -8.8490 -8.8244 -8.8244 -8.8242 -8.8242 -8.7680 -8.7680 -8.7643 -8.7643 -8.7585 -8.7585 -8.7562 -8.7562 -8.7382 -8.7382 -8.7336 -8.7336 -8.7025 -8.7025 -8.7016 -8.7016 -8.6797 -8.6797 -8.6783 -8.6783 -8.6670 -8.6670 -8.6652 -8.6652 -8.6312 -8.6312 -8.6293 -8.6293 1.7200 1.7200 1.7200 1.7200 k = 0.0441 0.5000 0.0441 ( 11974 PWs) bands (ev): -27.6152 -27.6152 -27.6152 -27.6152 -27.5960 -27.5960 -27.5960 -27.5960 -27.5848 -27.5848 -27.5848 -27.5848 -27.5741 -27.5741 -27.5741 -27.5741 -9.0815 -9.0815 -9.0812 -9.0812 -8.9565 -8.9565 -8.9560 -8.9560 -8.9083 -8.9083 -8.9028 -8.9028 -8.8583 -8.8583 -8.8506 -8.8506 -8.8242 -8.8242 -8.8240 -8.8240 -8.7665 -8.7665 -8.7631 -8.7631 -8.7581 -8.7581 -8.7561 -8.7561 -8.7393 -8.7393 -8.7356 -8.7356 -8.7025 -8.7025 -8.7018 -8.7018 -8.6790 -8.6790 -8.6780 -8.6780 -8.6661 -8.6661 -8.6647 -8.6647 -8.6297 -8.6297 -8.6283 -8.6283 1.7087 1.7087 1.7087 1.7087 k = 0.0294 0.5000 0.0294 ( 11972 PWs) bands (ev): -27.6153 -27.6153 -27.6153 -27.6153 -27.5960 -27.5960 -27.5960 -27.5960 -27.5848 -27.5848 -27.5848 -27.5848 -27.5741 -27.5741 -27.5741 -27.5741 -9.0822 -9.0822 -9.0820 -9.0820 -8.9572 -8.9572 -8.9569 -8.9569 -8.9072 -8.9072 -8.9034 -8.9034 -8.8574 -8.8574 -8.8521 -8.8521 -8.8240 -8.8240 -8.8238 -8.8238 -8.7653 -8.7653 -8.7627 -8.7627 -8.7574 -8.7574 -8.7560 -8.7560 -8.7401 -8.7401 -8.7374 -8.7374 -8.7025 -8.7025 -8.7020 -8.7020 -8.6785 -8.6785 -8.6778 -8.6778 -8.6653 -8.6653 -8.6644 -8.6644 -8.6286 -8.6286 -8.6277 -8.6277 1.7006 1.7006 1.7006 1.7006 k = 0.0147 0.5000 0.0147 ( 11972 PWs) bands (ev): -27.6154 -27.6154 -27.6154 -27.6154 -27.5960 -27.5960 -27.5960 -27.5960 -27.5847 -27.5847 -27.5847 -27.5847 -27.5740 -27.5740 -27.5740 -27.5740 -9.0827 -9.0827 -9.0826 -9.0826 -8.9576 -8.9576 -8.9574 -8.9574 -8.9061 -8.9061 -8.9042 -8.9042 -8.8563 -8.8563 -8.8536 -8.8536 -8.8239 -8.8239 -8.8238 -8.8238 -8.7642 -8.7642 -8.7628 -8.7628 -8.7567 -8.7567 -8.7560 -8.7560 -8.7404 -8.7404 -8.7389 -8.7389 -8.7024 -8.7024 -8.7022 -8.7022 -8.6781 -8.6781 -8.6778 -8.6778 -8.6648 -8.6648 -8.6643 -8.6643 -8.6278 -8.6278 -8.6274 -8.6274 1.6958 1.6958 1.6958 1.6958 k = 0.0000 0.5000-0.0000 ( 11948 PWs) bands (ev): -27.6154 -27.6154 -27.6154 -27.6154 -27.5960 -27.5960 -27.5960 -27.5960 -27.5847 -27.5847 -27.5847 -27.5847 -27.5740 -27.5740 -27.5740 -27.5740 -9.0828 -9.0828 -9.0828 -9.0828 -8.9577 -8.9577 -8.9577 -8.9577 -8.9052 -8.9052 -8.9052 -8.9052 -8.8550 -8.8550 -8.8550 -8.8550 -8.8238 -8.8238 -8.8238 -8.8238 -8.7633 -8.7633 -8.7633 -8.7633 -8.7562 -8.7562 -8.7562 -8.7562 -8.7400 -8.7400 -8.7400 -8.7400 -8.7023 -8.7023 -8.7023 -8.7023 -8.6779 -8.6779 -8.6779 -8.6779 -8.6644 -8.6644 -8.6644 -8.6644 -8.6274 -8.6274 -8.6274 -8.6274 1.6942 1.6942 1.6942 1.6942 k = 0.5000 0.5000-0.0000 ( 11920 PWs) bands (ev): -27.6102 -27.6102 -27.6010 -27.6010 -27.6010 -27.6010 -27.5961 -27.5961 -27.5882 -27.5882 -27.5850 -27.5850 -27.5850 -27.5850 -27.5740 -27.5740 -9.1004 -9.1004 -8.9317 -8.9317 -8.9296 -8.9296 -8.9096 -8.9096 -8.8905 -8.8905 -8.8897 -8.8897 -8.8863 -8.8863 -8.8819 -8.8819 -8.8515 -8.8515 -8.8091 -8.8091 -8.7936 -8.7936 -8.7912 -8.7912 -8.7597 -8.7597 -8.7399 -8.7399 -8.7389 -8.7389 -8.7336 -8.7336 -8.7282 -8.7282 -8.7175 -8.7175 -8.7073 -8.7073 -8.6918 -8.6918 -8.6883 -8.6883 -8.6604 -8.6604 -8.6584 -8.6584 -8.6380 -8.6380 2.5923 2.5923 2.5950 2.5950 k = 0.5000 0.5000 0.0208 ( 11960 PWs) bands (ev): -27.6102 -27.6102 -27.6010 -27.6010 -27.6010 -27.6010 -27.5961 -27.5961 -27.5882 -27.5882 -27.5850 -27.5850 -27.5850 -27.5850 -27.5740 -27.5740 -9.1000 -9.1000 -8.9317 -8.9317 -8.9297 -8.9297 -8.9097 -8.9097 -8.8924 -8.8924 -8.8885 -8.8885 -8.8862 -8.8862 -8.8814 -8.8814 -8.8513 -8.8513 -8.8089 -8.8089 -8.7937 -8.7937 -8.7911 -8.7911 -8.7598 -8.7598 -8.7399 -8.7399 -8.7389 -8.7389 -8.7336 -8.7336 -8.7282 -8.7282 -8.7175 -8.7175 -8.7073 -8.7073 -8.6917 -8.6917 -8.6884 -8.6884 -8.6606 -8.6606 -8.6585 -8.6585 -8.6384 -8.6384 2.5938 2.5938 2.5965 2.5965 k = 0.5000 0.5000 0.0417 ( 11956 PWs) bands (ev): -27.6101 -27.6101 -27.6009 -27.6009 -27.6009 -27.6009 -27.5961 -27.5961 -27.5882 -27.5882 -27.5851 -27.5851 -27.5851 -27.5851 -27.5741 -27.5741 -9.0988 -9.0988 -8.9319 -8.9319 -8.9297 -8.9297 -8.9099 -8.9099 -8.8949 -8.8949 -8.8876 -8.8876 -8.8858 -8.8858 -8.8799 -8.8799 -8.8505 -8.8505 -8.8083 -8.8083 -8.7941 -8.7941 -8.7905 -8.7905 -8.7600 -8.7600 -8.7397 -8.7397 -8.7389 -8.7389 -8.7338 -8.7338 -8.7283 -8.7283 -8.7176 -8.7176 -8.7074 -8.7074 -8.6916 -8.6916 -8.6885 -8.6885 -8.6610 -8.6610 -8.6589 -8.6589 -8.6395 -8.6395 2.5984 2.5984 2.6011 2.6011 k = 0.5000 0.5000 0.0625 ( 11972 PWs) bands (ev): -27.6099 -27.6099 -27.6008 -27.6008 -27.6008 -27.6008 -27.5960 -27.5960 -27.5883 -27.5883 -27.5852 -27.5852 -27.5852 -27.5852 -27.5743 -27.5743 -9.0969 -9.0969 -8.9322 -8.9322 -8.9299 -8.9299 -8.9103 -8.9103 -8.8978 -8.8978 -8.8871 -8.8871 -8.8853 -8.8853 -8.8780 -8.8780 -8.8494 -8.8494 -8.8073 -8.8073 -8.7945 -8.7945 -8.7898 -8.7898 -8.7604 -8.7604 -8.7395 -8.7395 -8.7389 -8.7389 -8.7340 -8.7340 -8.7285 -8.7285 -8.7177 -8.7177 -8.7076 -8.7076 -8.6915 -8.6915 -8.6888 -8.6888 -8.6617 -8.6617 -8.6595 -8.6595 -8.6415 -8.6415 2.6059 2.6059 2.6086 2.6087 k = 0.5000 0.5000 0.0833 ( 11980 PWs) bands (ev): -27.6096 -27.6096 -27.6007 -27.6007 -27.6007 -27.6007 -27.5960 -27.5960 -27.5884 -27.5884 -27.5853 -27.5853 -27.5853 -27.5853 -27.5746 -27.5746 -9.0941 -9.0941 -8.9325 -8.9325 -8.9300 -8.9300 -8.9108 -8.9108 -8.9007 -8.9007 -8.8868 -8.8868 -8.8846 -8.8846 -8.8758 -8.8758 -8.8478 -8.8478 -8.8060 -8.8060 -8.7949 -8.7949 -8.7890 -8.7890 -8.7608 -8.7608 -8.7392 -8.7392 -8.7390 -8.7390 -8.7343 -8.7343 -8.7287 -8.7287 -8.7179 -8.7179 -8.7078 -8.7078 -8.6912 -8.6912 -8.6892 -8.6892 -8.6626 -8.6626 -8.6603 -8.6603 -8.6441 -8.6441 2.6164 2.6164 2.6192 2.6193 k = 0.5000 0.5000 0.1042 ( 11964 PWs) bands (ev): -27.6093 -27.6093 -27.6006 -27.6006 -27.6006 -27.6006 -27.5959 -27.5959 -27.5884 -27.5884 -27.5854 -27.5854 -27.5854 -27.5854 -27.5750 -27.5750 -9.0906 -9.0906 -8.9329 -8.9329 -8.9302 -8.9302 -8.9115 -8.9115 -8.9037 -8.9037 -8.8867 -8.8867 -8.8837 -8.8837 -8.8736 -8.8736 -8.8460 -8.8460 -8.8043 -8.8043 -8.7954 -8.7954 -8.7880 -8.7880 -8.7614 -8.7614 -8.7390 -8.7390 -8.7388 -8.7388 -8.7346 -8.7346 -8.7289 -8.7289 -8.7181 -8.7181 -8.7080 -8.7080 -8.6910 -8.6910 -8.6896 -8.6896 -8.6637 -8.6637 -8.6614 -8.6614 -8.6475 -8.6475 2.6300 2.6300 2.6328 2.6328 k = 0.5000 0.5000 0.1250 ( 11972 PWs) bands (ev): -27.6088 -27.6088 -27.6004 -27.6004 -27.6004 -27.6004 -27.5958 -27.5958 -27.5885 -27.5885 -27.5856 -27.5856 -27.5856 -27.5856 -27.5754 -27.5754 -9.0864 -9.0864 -8.9333 -8.9333 -8.9304 -8.9304 -8.9123 -8.9123 -8.9066 -8.9066 -8.8866 -8.8866 -8.8826 -8.8826 -8.8714 -8.8714 -8.8438 -8.8438 -8.8024 -8.8024 -8.7958 -8.7958 -8.7869 -8.7869 -8.7621 -8.7621 -8.7390 -8.7390 -8.7384 -8.7384 -8.7351 -8.7351 -8.7292 -8.7292 -8.7183 -8.7183 -8.7084 -8.7084 -8.6907 -8.6907 -8.6902 -8.6902 -8.6652 -8.6652 -8.6627 -8.6627 -8.6515 -8.6515 2.6465 2.6465 2.6494 2.6494 k = 0.5000 0.5000 0.1458 ( 11976 PWs) bands (ev): -27.6084 -27.6084 -27.6002 -27.6002 -27.6002 -27.6002 -27.5957 -27.5957 -27.5886 -27.5886 -27.5858 -27.5858 -27.5858 -27.5858 -27.5759 -27.5759 -9.0815 -9.0815 -8.9338 -8.9338 -8.9306 -8.9306 -8.9132 -8.9132 -8.9095 -8.9095 -8.8866 -8.8866 -8.8814 -8.8814 -8.8692 -8.8692 -8.8414 -8.8414 -8.8002 -8.8002 -8.7962 -8.7962 -8.7857 -8.7857 -8.7628 -8.7628 -8.7390 -8.7390 -8.7379 -8.7379 -8.7356 -8.7356 -8.7296 -8.7296 -8.7186 -8.7186 -8.7088 -8.7088 -8.6909 -8.6909 -8.6904 -8.6904 -8.6668 -8.6668 -8.6642 -8.6642 -8.6562 -8.6562 2.6660 2.6660 2.6690 2.6690 k = 0.5000 0.5000 0.1667 ( 12000 PWs) bands (ev): -27.6078 -27.6078 -27.5999 -27.5999 -27.5999 -27.5999 -27.5956 -27.5956 -27.5888 -27.5888 -27.5861 -27.5861 -27.5861 -27.5861 -27.5764 -27.5764 -9.0759 -9.0759 -8.9343 -8.9343 -8.9309 -8.9309 -8.9143 -8.9143 -8.9123 -8.9123 -8.8867 -8.8867 -8.8802 -8.8802 -8.8672 -8.8672 -8.8387 -8.8387 -8.7978 -8.7978 -8.7966 -8.7966 -8.7844 -8.7844 -8.7635 -8.7635 -8.7389 -8.7389 -8.7374 -8.7374 -8.7362 -8.7362 -8.7300 -8.7300 -8.7189 -8.7189 -8.7093 -8.7093 -8.6916 -8.6916 -8.6902 -8.6902 -8.6686 -8.6686 -8.6659 -8.6659 -8.6613 -8.6613 2.6885 2.6885 2.6915 2.6915 k = 0.5000 0.5000 0.1875 ( 11972 PWs) bands (ev): -27.6072 -27.6072 -27.5997 -27.5997 -27.5997 -27.5997 -27.5954 -27.5954 -27.5889 -27.5889 -27.5863 -27.5863 -27.5863 -27.5863 -27.5771 -27.5771 -9.0696 -9.0696 -8.9347 -8.9347 -8.9311 -8.9311 -8.9154 -8.9154 -8.9150 -8.9150 -8.8868 -8.8868 -8.8788 -8.8788 -8.8652 -8.8652 -8.8359 -8.8359 -8.7969 -8.7969 -8.7953 -8.7953 -8.7830 -8.7830 -8.7642 -8.7642 -8.7389 -8.7389 -8.7369 -8.7369 -8.7368 -8.7368 -8.7304 -8.7304 -8.7192 -8.7192 -8.7098 -8.7098 -8.6925 -8.6925 -8.6900 -8.6900 -8.6706 -8.6706 -8.6680 -8.6680 -8.6668 -8.6668 2.7139 2.7139 2.7170 2.7170 k = 0.5000 0.5000 0.2083 ( 11984 PWs) bands (ev): -27.6065 -27.6065 -27.5994 -27.5994 -27.5994 -27.5994 -27.5953 -27.5953 -27.5890 -27.5890 -27.5866 -27.5866 -27.5866 -27.5866 -27.5778 -27.5778 -9.0626 -9.0626 -8.9351 -8.9351 -8.9314 -8.9314 -8.9176 -8.9176 -8.9167 -8.9167 -8.8870 -8.8870 -8.8773 -8.8773 -8.8635 -8.8635 -8.8328 -8.8328 -8.7972 -8.7972 -8.7927 -8.7927 -8.7814 -8.7814 -8.7650 -8.7650 -8.7390 -8.7390 -8.7372 -8.7372 -8.7364 -8.7364 -8.7308 -8.7308 -8.7195 -8.7195 -8.7105 -8.7105 -8.6934 -8.6934 -8.6899 -8.6899 -8.6730 -8.6730 -8.6728 -8.6728 -8.6698 -8.6698 2.7423 2.7423 2.7455 2.7455 k = 0.5000 0.5000 0.2292 ( 11968 PWs) bands (ev): -27.6057 -27.6057 -27.5990 -27.5990 -27.5990 -27.5990 -27.5951 -27.5951 -27.5892 -27.5892 -27.5870 -27.5870 -27.5870 -27.5870 -27.5785 -27.5785 -9.0551 -9.0551 -8.9355 -8.9355 -8.9316 -8.9316 -8.9200 -8.9200 -8.9180 -8.9180 -8.8874 -8.8874 -8.8759 -8.8759 -8.8619 -8.8619 -8.8295 -8.8295 -8.7975 -8.7975 -8.7901 -8.7901 -8.7798 -8.7798 -8.7657 -8.7657 -8.7396 -8.7396 -8.7373 -8.7373 -8.7359 -8.7359 -8.7312 -8.7312 -8.7199 -8.7199 -8.7113 -8.7113 -8.6945 -8.6945 -8.6899 -8.6899 -8.6790 -8.6790 -8.6751 -8.6751 -8.6720 -8.6720 2.7736 2.7736 2.7768 2.7769 k = 0.5000 0.5000 0.2500 ( 11960 PWs) bands (ev): -27.6049 -27.6049 -27.5987 -27.5987 -27.5987 -27.5987 -27.5949 -27.5949 -27.5894 -27.5894 -27.5873 -27.5873 -27.5873 -27.5873 -27.5793 -27.5793 -9.0471 -9.0471 -8.9359 -8.9359 -8.9318 -8.9318 -8.9222 -8.9222 -8.9193 -8.9193 -8.8879 -8.8879 -8.8744 -8.8744 -8.8605 -8.8605 -8.8261 -8.8261 -8.7977 -8.7977 -8.7876 -8.7876 -8.7782 -8.7782 -8.7664 -8.7664 -8.7406 -8.7406 -8.7368 -8.7368 -8.7354 -8.7354 -8.7316 -8.7316 -8.7202 -8.7202 -8.7122 -8.7122 -8.6960 -8.6960 -8.6900 -8.6900 -8.6849 -8.6849 -8.6774 -8.6774 -8.6743 -8.6743 2.8078 2.8078 2.8111 2.8112 k = 0.5000 0.5000 0.2708 ( 11964 PWs) bands (ev): -27.6041 -27.6041 -27.5983 -27.5983 -27.5983 -27.5983 -27.5947 -27.5947 -27.5896 -27.5896 -27.5877 -27.5877 -27.5877 -27.5877 -27.5802 -27.5802 -9.0386 -9.0386 -8.9361 -8.9361 -8.9321 -8.9321 -8.9242 -8.9242 -8.9208 -8.9208 -8.8887 -8.8887 -8.8728 -8.8728 -8.8594 -8.8594 -8.8225 -8.8225 -8.7979 -8.7979 -8.7853 -8.7853 -8.7765 -8.7765 -8.7670 -8.7670 -8.7420 -8.7420 -8.7362 -8.7362 -8.7351 -8.7351 -8.7317 -8.7317 -8.7206 -8.7206 -8.7133 -8.7133 -8.6983 -8.6983 -8.6902 -8.6902 -8.6899 -8.6899 -8.6798 -8.6798 -8.6767 -8.6767 2.8449 2.8449 2.8483 2.8483 k = 0.5000 0.5000 0.2917 ( 11956 PWs) bands (ev): -27.6032 -27.6032 -27.5979 -27.5979 -27.5979 -27.5979 -27.5945 -27.5945 -27.5898 -27.5898 -27.5881 -27.5881 -27.5881 -27.5881 -27.5811 -27.5811 -9.0296 -9.0296 -8.9364 -8.9364 -8.9323 -8.9323 -8.9260 -8.9260 -8.9222 -8.9222 -8.8898 -8.8898 -8.8713 -8.8713 -8.8584 -8.8584 -8.8188 -8.8188 -8.7980 -8.7980 -8.7831 -8.7831 -8.7748 -8.7748 -8.7676 -8.7676 -8.7437 -8.7437 -8.7353 -8.7353 -8.7350 -8.7350 -8.7316 -8.7316 -8.7211 -8.7211 -8.7146 -8.7146 -8.7019 -8.7019 -8.6931 -8.6931 -8.6905 -8.6905 -8.6822 -8.6822 -8.6791 -8.6791 2.8849 2.8849 2.8883 2.8884 k = 0.5000 0.5000 0.3125 ( 11944 PWs) bands (ev): -27.6022 -27.6022 -27.5975 -27.5975 -27.5975 -27.5975 -27.5943 -27.5943 -27.5900 -27.5900 -27.5885 -27.5885 -27.5885 -27.5885 -27.5821 -27.5821 -9.0203 -9.0203 -8.9365 -8.9365 -8.9325 -8.9325 -8.9275 -8.9275 -8.9236 -8.9236 -8.8912 -8.8912 -8.8699 -8.8699 -8.8577 -8.8577 -8.8150 -8.8150 -8.7980 -8.7980 -8.7811 -8.7811 -8.7732 -8.7732 -8.7681 -8.7681 -8.7460 -8.7460 -8.7351 -8.7351 -8.7342 -8.7342 -8.7312 -8.7312 -8.7215 -8.7215 -8.7163 -8.7163 -8.7062 -8.7062 -8.6950 -8.6950 -8.6910 -8.6910 -8.6845 -8.6845 -8.6816 -8.6816 2.9277 2.9277 2.9312 2.9313 k = 0.5000 0.5000 0.3333 ( 11940 PWs) bands (ev): -27.6012 -27.6012 -27.5971 -27.5971 -27.5971 -27.5971 -27.5941 -27.5941 -27.5902 -27.5902 -27.5889 -27.5889 -27.5889 -27.5889 -27.5831 -27.5831 -9.0106 -9.0106 -8.9366 -8.9366 -8.9326 -8.9326 -8.9289 -8.9289 -8.9251 -8.9251 -8.8931 -8.8931 -8.8684 -8.8684 -8.8571 -8.8571 -8.8112 -8.8112 -8.7979 -8.7979 -8.7794 -8.7794 -8.7718 -8.7718 -8.7686 -8.7686 -8.7487 -8.7487 -8.7352 -8.7352 -8.7329 -8.7329 -8.7307 -8.7307 -8.7220 -8.7220 -8.7184 -8.7184 -8.7101 -8.7101 -8.6961 -8.6961 -8.6917 -8.6917 -8.6866 -8.6866 -8.6841 -8.6841 2.9733 2.9733 2.9769 2.9770 k = 0.5000 0.5000 0.3542 ( 11940 PWs) bands (ev): -27.6002 -27.6002 -27.5966 -27.5966 -27.5966 -27.5966 -27.5939 -27.5939 -27.5904 -27.5904 -27.5894 -27.5894 -27.5894 -27.5894 -27.5841 -27.5841 -9.0008 -9.0008 -8.9366 -8.9366 -8.9328 -8.9328 -8.9301 -8.9301 -8.9265 -8.9265 -8.8955 -8.8955 -8.8670 -8.8670 -8.8568 -8.8568 -8.8075 -8.8075 -8.7977 -8.7977 -8.7779 -8.7779 -8.7707 -8.7707 -8.7688 -8.7688 -8.7520 -8.7520 -8.7353 -8.7353 -8.7316 -8.7316 -8.7301 -8.7301 -8.7226 -8.7226 -8.7208 -8.7208 -8.7132 -8.7132 -8.6970 -8.6970 -8.6926 -8.6926 -8.6886 -8.6886 -8.6864 -8.6864 3.0217 3.0217 3.0254 3.0255 k = 0.5000 0.5000 0.3750 ( 11924 PWs) bands (ev): -27.5991 -27.5991 -27.5961 -27.5961 -27.5961 -27.5961 -27.5936 -27.5936 -27.5906 -27.5906 -27.5898 -27.5898 -27.5898 -27.5898 -27.5852 -27.5852 -8.9908 -8.9908 -8.9366 -8.9366 -8.9330 -8.9330 -8.9310 -8.9310 -8.9278 -8.9278 -8.8986 -8.8986 -8.8657 -8.8657 -8.8567 -8.8567 -8.8038 -8.8038 -8.7973 -8.7973 -8.7767 -8.7767 -8.7703 -8.7703 -8.7686 -8.7686 -8.7558 -8.7558 -8.7352 -8.7352 -8.7302 -8.7302 -8.7294 -8.7294 -8.7231 -8.7231 -8.7231 -8.7231 -8.7157 -8.7157 -8.6976 -8.6976 -8.6936 -8.6936 -8.6902 -8.6902 -8.6887 -8.6887 3.0728 3.0728 3.0763 3.0763 k = 0.5000 0.5000 0.3958 ( 11924 PWs) bands (ev): -27.5980 -27.5980 -27.5957 -27.5957 -27.5957 -27.5957 -27.5934 -27.5934 -27.5909 -27.5909 -27.5903 -27.5903 -27.5903 -27.5903 -27.5863 -27.5863 -8.9807 -8.9807 -8.9365 -8.9365 -8.9332 -8.9332 -8.9318 -8.9318 -8.9291 -8.9291 -8.9024 -8.9024 -8.8644 -8.8644 -8.8567 -8.8567 -8.8005 -8.8005 -8.7969 -8.7969 -8.7756 -8.7756 -8.7705 -8.7705 -8.7682 -8.7682 -8.7597 -8.7597 -8.7348 -8.7348 -8.7288 -8.7288 -8.7288 -8.7288 -8.7250 -8.7250 -8.7236 -8.7236 -8.7179 -8.7179 -8.6980 -8.6980 -8.6947 -8.6947 -8.6917 -8.6917 -8.6908 -8.6908 3.1267 3.1267 3.1297 3.1297 k = 0.5000 0.5000 0.4167 ( 11932 PWs) bands (ev): -27.5968 -27.5968 -27.5952 -27.5952 -27.5952 -27.5952 -27.5932 -27.5932 -27.5911 -27.5911 -27.5908 -27.5908 -27.5908 -27.5908 -27.5875 -27.5875 -8.9707 -8.9707 -8.9362 -8.9362 -8.9333 -8.9333 -8.9324 -8.9324 -8.9303 -8.9303 -8.9070 -8.9070 -8.8632 -8.8632 -8.8569 -8.8569 -8.7975 -8.7975 -8.7963 -8.7963 -8.7747 -8.7747 -8.7707 -8.7707 -8.7681 -8.7681 -8.7634 -8.7634 -8.7341 -8.7341 -8.7284 -8.7284 -8.7275 -8.7275 -8.7264 -8.7264 -8.7240 -8.7240 -8.7200 -8.7200 -8.6983 -8.6983 -8.6957 -8.6957 -8.6929 -8.6929 -8.6927 -8.6927 3.1833 3.1833 3.1855 3.1855 k = 0.5000 0.5000 0.4375 ( 11920 PWs) bands (ev): -27.5957 -27.5957 -27.5948 -27.5948 -27.5948 -27.5948 -27.5929 -27.5929 -27.5914 -27.5914 -27.5912 -27.5912 -27.5912 -27.5912 -27.5886 -27.5886 -8.9609 -8.9609 -8.9359 -8.9359 -8.9334 -8.9334 -8.9328 -8.9328 -8.9314 -8.9314 -8.9124 -8.9124 -8.8621 -8.8621 -8.8573 -8.8573 -8.7955 -8.7955 -8.7951 -8.7951 -8.7738 -8.7738 -8.7710 -8.7710 -8.7683 -8.7683 -8.7666 -8.7666 -8.7330 -8.7330 -8.7281 -8.7281 -8.7273 -8.7273 -8.7265 -8.7265 -8.7243 -8.7243 -8.7220 -8.7220 -8.6983 -8.6983 -8.6965 -8.6965 -8.6943 -8.6943 -8.6941 -8.6941 3.2424 3.2424 3.2441 3.2441 k = 0.5000 0.5000 0.4583 ( 11916 PWs) bands (ev): -27.5945 -27.5945 -27.5943 -27.5943 -27.5943 -27.5943 -27.5927 -27.5927 -27.5917 -27.5917 -27.5917 -27.5917 -27.5916 -27.5916 -27.5898 -27.5898 -8.9514 -8.9514 -8.9355 -8.9355 -8.9335 -8.9335 -8.9331 -8.9331 -8.9324 -8.9324 -8.9187 -8.9187 -8.8610 -8.8610 -8.8578 -8.8578 -8.7946 -8.7946 -8.7936 -8.7936 -8.7730 -8.7730 -8.7711 -8.7711 -8.7690 -8.7690 -8.7689 -8.7689 -8.7317 -8.7317 -8.7281 -8.7281 -8.7279 -8.7279 -8.7257 -8.7257 -8.7244 -8.7244 -8.7239 -8.7239 -8.6981 -8.6981 -8.6970 -8.6970 -8.6955 -8.6955 -8.6952 -8.6952 3.3042 3.3042 3.3053 3.3053 k = 0.5000 0.5000 0.4792 ( 11968 PWs) bands (ev): -27.5940 -27.5940 -27.5940 -27.5940 -27.5933 -27.5933 -27.5924 -27.5924 -27.5920 -27.5920 -27.5920 -27.5920 -27.5919 -27.5919 -27.5910 -27.5910 -8.9424 -8.9424 -8.9351 -8.9351 -8.9338 -8.9338 -8.9333 -8.9333 -8.9331 -8.9331 -8.9258 -8.9258 -8.8601 -8.8601 -8.8585 -8.8585 -8.7938 -8.7938 -8.7929 -8.7929 -8.7721 -8.7721 -8.7712 -8.7712 -8.7704 -8.7704 -8.7700 -8.7700 -8.7301 -8.7301 -8.7282 -8.7282 -8.7282 -8.7282 -8.7264 -8.7264 -8.7247 -8.7247 -8.7244 -8.7244 -8.6976 -8.6976 -8.6972 -8.6972 -8.6964 -8.6964 -8.6962 -8.6962 3.3686 3.3686 3.3691 3.3691 k = 0.5000 0.5000 0.5000 ( 11992 PWs) bands (ev): -27.5939 -27.5939 -27.5939 -27.5939 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -27.5922 -8.9349 -8.9349 -8.9349 -8.9349 -8.9333 -8.9333 -8.9333 -8.9333 -8.9333 -8.9333 -8.9333 -8.9333 -8.8592 -8.8592 -8.8592 -8.8592 -8.7931 -8.7931 -8.7931 -8.7931 -8.7710 -8.7710 -8.7710 -8.7710 -8.7710 -8.7710 -8.7710 -8.7710 -8.7282 -8.7282 -8.7282 -8.7282 -8.7282 -8.7282 -8.7282 -8.7282 -8.7245 -8.7245 -8.7245 -8.7245 -8.6970 -8.6970 -8.6970 -8.6970 -8.6970 -8.6970 -8.6970 -8.6970 3.4355 3.4355 3.4355 3.4355 Writing output data file F2.save init_run : 0.15s CPU 0.22s WALL ( 1 calls) electrons : 144.96s CPU 147.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 144.96s CPU 147.24s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 187 calls) cegterg : 132.17s CPU 133.49s WALL ( 309 calls) Called by sum_band: Called by *egterg: h_psi : 73.82s CPU 75.10s WALL ( 4946 calls) s_psi : 1.71s CPU 1.77s WALL ( 4946 calls) g_psi : 0.17s CPU 0.14s WALL ( 4450 calls) cdiaghg : 52.67s CPU 52.50s WALL ( 4637 calls) cegterg:over : 5.46s CPU 5.59s WALL ( 4450 calls) cegterg:upda : 4.50s CPU 4.87s WALL ( 4450 calls) cegterg:last : 2.07s CPU 2.13s WALL ( 496 calls) cdiaghg:chol : 2.16s CPU 2.19s WALL ( 4637 calls) cdiaghg:inve : 1.26s CPU 1.26s WALL ( 4637 calls) cdiaghg:para : 2.70s CPU 2.85s WALL ( 9274 calls) Called by h_psi: h_psi:vloc : 68.73s CPU 70.12s WALL ( 4946 calls) h_psi:vnl : 4.83s CPU 4.78s WALL ( 4946 calls) add_vuspsi : 1.82s CPU 1.84s WALL ( 4946 calls) General routines calbec : 2.99s CPU 2.93s WALL ( 4946 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 66.50s CPU 67.75s WALL ( 389148 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.59s WALL ( 374 calls) Parallel routines fft_scatter : 42.62s CPU 43.59s WALL ( 389171 calls) PWSCF : 2m56.58s CPU 3m11.91s WALL This run was terminated on: 21:22:30 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=