Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:24: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ca3BiN.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 86 34 10 3614 910 148 Max 87 35 11 3617 929 151 Sum 3125 1245 373 130195 33131 5377 bravais-lattice index = 14 lattice parameter (alat) = 9.2377 a.u. unit-cell volume = 788.3094 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.237737 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 Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Bi 15.00 208.98040 Bi( 1.00) Ca 10.00 40.07800 Ca( 1.00) N 5.00 14.00670 N( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 253 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0039526 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0039526 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0039526 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0039526 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0039526 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0039526 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0039526 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0039526 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0039526 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0039526 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0039526 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0039526 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0039526 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0039526 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0039526 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0039526 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0039526 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0039526 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0039526 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0039526 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0039526 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0039526 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0039526 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0039526 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0039526 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0039526 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0039526 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0039526 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0039526 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0039526 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0039526 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0039526 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039526 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039526 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0039526 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0039526 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0039526 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0039526 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0039526 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0039526 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0039526 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0039526 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0039526 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0039526 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0039526 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0039526 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0039526 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0039526 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0039526 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0039526 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0039526 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0039526 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039526 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039526 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039526 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039526 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039526 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0039526 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0039526 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0039526 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0039526 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0039526 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0039526 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0039526 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0039526 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0039526 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039526 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039526 k( 70) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0039526 k( 71) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0039526 k( 72) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0039526 k( 73) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0039526 k( 74) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0039526 k( 75) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0039526 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0039526 k( 77) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0039526 k( 78) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0039526 k( 79) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0039526 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0039526 k( 81) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0039526 k( 82) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0039526 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0039526 k( 84) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0039526 k( 85) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0039526 k( 86) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0039526 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0039526 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0039526 k( 89) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0039526 k( 90) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0039526 k( 91) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0039526 k( 92) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0039526 k( 93) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0039526 k( 94) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0039526 k( 95) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0039526 k( 96) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0039526 k( 97) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0039526 k( 98) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0039526 k( 99) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0039526 k( 100) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0039526 k( 101) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0039526 k( 102) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0039526 k( 103) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0039526 k( 104) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0039526 k( 105) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0039526 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0039526 k( 107) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0039526 k( 108) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0039526 k( 109) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0039526 k( 110) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0039526 k( 111) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0039526 k( 112) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0039526 k( 113) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0039526 k( 114) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0039526 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 117) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0039526 k( 118) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0039526 k( 119) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0039526 k( 120) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0039526 k( 121) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0039526 k( 122) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0039526 k( 123) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0039526 k( 124) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0039526 k( 125) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0039526 k( 126) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0039526 k( 127) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0039526 k( 128) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0039526 k( 129) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0039526 k( 130) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0039526 k( 131) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0039526 k( 132) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0039526 k( 133) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0039526 k( 134) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0039526 k( 135) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0039526 k( 136) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0039526 k( 137) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0039526 k( 138) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0039526 k( 139) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0039526 k( 140) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0039526 k( 141) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0039526 k( 142) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0039526 k( 143) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0039526 k( 144) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 145) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0039526 k( 146) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0039526 k( 147) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0039526 k( 148) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0039526 k( 149) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0039526 k( 150) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0039526 k( 151) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0039526 k( 152) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0039526 k( 153) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0039526 k( 154) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0039526 k( 155) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0039526 k( 156) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0039526 k( 157) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0039526 k( 158) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0039526 k( 159) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0039526 k( 160) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0039526 k( 161) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0039526 k( 162) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0039526 k( 163) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0039526 k( 164) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0039526 k( 165) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0039526 k( 166) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0039526 k( 167) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0039526 k( 168) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0039526 k( 169) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0039526 k( 170) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0039526 k( 171) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0039526 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 174) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039526 k( 175) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039526 k( 176) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039526 k( 177) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039526 k( 178) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039526 k( 179) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039526 k( 180) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039526 k( 181) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039526 k( 182) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039526 k( 183) = ( 0.3913044 0.5000000 0.3913043), wk = 0.0039526 k( 184) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039526 k( 185) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039526 k( 186) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039526 k( 187) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039526 k( 188) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039526 k( 189) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039526 k( 190) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039526 k( 191) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039526 k( 192) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039526 k( 193) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039526 k( 194) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039526 k( 195) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039526 k( 196) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039526 k( 197) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039526 k( 198) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039526 k( 199) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039526 k( 200) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039526 k( 201) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039526 k( 202) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039526 k( 203) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039526 k( 204) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039526 k( 205) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039526 k( 206) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039526 k( 207) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039526 k( 208) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039526 k( 209) = ( 0.1086957 0.5000000 0.1086956), wk = 0.0039526 k( 210) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039526 k( 211) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039526 k( 212) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039526 k( 213) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039526 k( 214) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039526 k( 215) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039526 k( 216) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039526 k( 217) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039526 k( 218) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039526 k( 219) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039526 k( 220) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039526 k( 221) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039526 k( 222) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039526 k( 223) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0039526 k( 224) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039526 k( 225) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039526 k( 226) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039526 k( 227) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039526 k( 228) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039526 k( 229) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039526 k( 230) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039526 k( 231) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039526 k( 232) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039526 k( 233) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039526 k( 234) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039526 k( 235) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039526 k( 236) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039526 k( 237) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039526 k( 238) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039526 k( 239) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039526 k( 240) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039526 k( 241) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039526 k( 242) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039526 k( 243) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0039526 k( 244) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039526 k( 245) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039526 k( 246) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039526 k( 247) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039526 k( 248) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039526 k( 249) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039526 k( 250) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0039526 k( 251) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039526 k( 252) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039526 k( 253) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0039526 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0039526 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0039526 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0039526 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0039526 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0039526 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0039526 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0039526 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0039526 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0039526 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0039526 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0039526 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0039526 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0039526 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0039526 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0039526 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0039526 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0039526 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0039526 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0039526 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0039526 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0039526 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0039526 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0039526 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0039526 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0039526 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0039526 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0039526 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0039526 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0039526 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0039526 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0039526 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0039526 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0039526 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0039526 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0039526 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0039526 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0039526 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0039526 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0039526 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0039526 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0039526 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0039526 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0039526 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0039526 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0039526 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0039526 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0039526 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0039526 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0039526 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039526 k( 55) = ( 0.3030303 0.5000000 0.0000000), wk = 0.0039526 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039526 k( 57) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0039526 k( 58) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0039526 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0039526 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0039526 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0039526 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0039526 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0039526 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0039526 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0039526 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0039526 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0039526 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039526 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039526 k( 70) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0039526 k( 71) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0039526 k( 72) = ( 0.4673913 0.4673913 0.0000000), wk = 0.0039526 k( 73) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0039526 k( 74) = ( 0.4456522 0.4456522 0.0000000), wk = 0.0039526 k( 75) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0039526 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0039526 k( 77) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0039526 k( 78) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0039526 k( 79) = ( 0.3913044 0.3913044 -0.0000000), wk = 0.0039526 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0039526 k( 81) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0039526 k( 82) = ( 0.3586956 0.3586956 0.0000000), wk = 0.0039526 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0039526 k( 84) = ( 0.3369565 0.3369565 0.0000000), wk = 0.0039526 k( 85) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0039526 k( 86) = ( 0.3152174 0.3152174 0.0000000), wk = 0.0039526 k( 87) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0039526 k( 88) = ( 0.2934783 0.2934783 0.0000000), wk = 0.0039526 k( 89) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0039526 k( 90) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0039526 k( 91) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0039526 k( 92) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0039526 k( 93) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0039526 k( 94) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0039526 k( 95) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0039526 k( 96) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0039526 k( 97) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0039526 k( 98) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0039526 k( 99) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0039526 k( 100) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0039526 k( 101) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0039526 k( 102) = ( 0.1413043 0.1413043 0.0000000), wk = 0.0039526 k( 103) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0039526 k( 104) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0039526 k( 105) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0039526 k( 106) = ( 0.0978261 0.0978261 0.0000000), wk = 0.0039526 k( 107) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0039526 k( 108) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0039526 k( 109) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0039526 k( 110) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0039526 k( 111) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0039526 k( 112) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0039526 k( 113) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0039526 k( 114) = ( 0.0108696 0.0108696 0.0000000), wk = 0.0039526 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 117) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0039526 k( 118) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0039526 k( 119) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0039526 k( 120) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0039526 k( 121) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0039526 k( 122) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0039526 k( 123) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0039526 k( 124) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0039526 k( 125) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0039526 k( 126) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0039526 k( 127) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0039526 k( 128) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0039526 k( 129) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0039526 k( 130) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0039526 k( 131) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0039526 k( 132) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0039526 k( 133) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0039526 k( 134) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0039526 k( 135) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0039526 k( 136) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0039526 k( 137) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0039526 k( 138) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0039526 k( 139) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0039526 k( 140) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0039526 k( 141) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0039526 k( 142) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0039526 k( 143) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0039526 k( 144) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 145) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0039526 k( 146) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0039526 k( 147) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0039526 k( 148) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0039526 k( 149) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0039526 k( 150) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0039526 k( 151) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0039526 k( 152) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0039526 k( 153) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0039526 k( 154) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0039526 k( 155) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0039526 k( 156) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0039526 k( 157) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0039526 k( 158) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0039526 k( 159) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0039526 k( 160) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0039526 k( 161) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0039526 k( 162) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0039526 k( 163) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0039526 k( 164) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0039526 k( 165) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0039526 k( 166) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0039526 k( 167) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0039526 k( 168) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0039526 k( 169) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0039526 k( 170) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0039526 k( 171) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0039526 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 174) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039526 k( 175) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039526 k( 176) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039526 k( 177) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039526 k( 178) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039526 k( 179) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039526 k( 180) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039526 k( 181) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039526 k( 182) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039526 k( 183) = ( 0.3913044 0.5000000 0.3913044), wk = 0.0039526 k( 184) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039526 k( 185) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039526 k( 186) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039526 k( 187) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039526 k( 188) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039526 k( 189) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039526 k( 190) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039526 k( 191) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039526 k( 192) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039526 k( 193) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039526 k( 194) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039526 k( 195) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039526 k( 196) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039526 k( 197) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039526 k( 198) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039526 k( 199) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039526 k( 200) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039526 k( 201) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039526 k( 202) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039526 k( 203) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039526 k( 204) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039526 k( 205) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039526 k( 206) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039526 k( 207) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039526 k( 208) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039526 k( 209) = ( 0.1086957 0.5000000 0.1086957), wk = 0.0039526 k( 210) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039526 k( 211) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039526 k( 212) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039526 k( 213) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039526 k( 214) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039526 k( 215) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039526 k( 216) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039526 k( 217) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039526 k( 218) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039526 k( 219) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 220) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039526 k( 221) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039526 k( 222) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039526 k( 223) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0039526 k( 224) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039526 k( 225) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039526 k( 226) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039526 k( 227) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039526 k( 228) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039526 k( 229) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039526 k( 230) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039526 k( 231) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039526 k( 232) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039526 k( 233) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039526 k( 234) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039526 k( 235) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039526 k( 236) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039526 k( 237) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039526 k( 238) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039526 k( 239) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039526 k( 240) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039526 k( 241) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039526 k( 242) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039526 k( 243) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0039526 k( 244) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039526 k( 245) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039526 k( 246) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039526 k( 247) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039526 k( 248) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039526 k( 249) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039526 k( 250) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0039526 k( 251) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039526 k( 252) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039526 k( 253) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 Dense grid: 130195 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 33131 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 236, 60) NL pseudopotentials 0.27 Mb ( 118, 150) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.03 Mb ( 3616) G-vector shells 0.01 Mb ( 660) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 236, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.27 Mb ( 150, 2, 60) The potential is recalculated from file : ./Ca3BiN.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.2 secs Computing kpt #: 5 total cpu time spent up to now is 8.2 secs Computing kpt #: 6 total cpu time spent up to now is 9.3 secs Computing kpt #: 7 total cpu time spent up to now is 10.3 secs Computing kpt #: 8 total cpu time spent up to now is 11.3 secs Computing kpt #: 9 total cpu time spent up to now is 12.3 secs Computing kpt #: 10 total cpu time spent up to now is 13.3 secs Computing kpt #: 11 total cpu time spent up to now is 14.2 secs Computing kpt #: 12 total cpu time spent up to now is 15.1 secs Computing kpt #: 13 total cpu time spent up to now is 16.0 secs Computing kpt #: 14 total cpu time spent up to now is 16.9 secs Computing kpt #: 15 total cpu time spent up to now is 17.8 secs Computing kpt #: 16 total cpu time spent up to now is 18.7 secs Computing kpt #: 17 total cpu time spent up to now is 19.7 secs Computing kpt #: 18 total cpu time spent up to now is 20.7 secs Computing kpt #: 19 total cpu time spent up to now is 21.6 secs Computing kpt #: 20 total cpu time spent up to now is 22.6 secs Computing kpt #: 21 total cpu time spent up to now is 23.7 secs Computing kpt #: 22 total cpu time spent up to now is 24.7 secs Computing kpt #: 23 total cpu time spent up to now is 28.3 secs Computing kpt #: 24 total cpu time spent up to now is 29.3 secs Computing kpt #: 25 total cpu time spent up to now is 30.4 secs Computing kpt #: 26 total cpu time spent up to now is 31.4 secs Computing kpt #: 27 total cpu time spent up to now is 32.8 secs Computing kpt #: 28 total cpu time spent up to now is 34.4 secs Computing kpt #: 29 total cpu time spent up to now is 35.9 secs Computing kpt #: 30 total cpu time spent up to now is 37.1 secs Computing kpt #: 31 total cpu time spent up to now is 38.4 secs Computing kpt #: 32 total cpu time spent up to now is 39.6 secs Computing kpt #: 33 total cpu time spent up to now is 40.7 secs Computing kpt #: 34 total cpu time spent up to now is 41.8 secs Computing kpt #: 35 total cpu time spent up to now is 42.9 secs Computing kpt #: 36 total cpu time spent up to now is 44.1 secs Computing kpt #: 37 total cpu time spent up to now is 45.2 secs Computing kpt #: 38 total cpu time spent up to now is 46.2 secs Computing kpt #: 39 total cpu time spent up to now is 47.3 secs Computing kpt #: 40 total cpu time spent up to now is 48.5 secs Computing kpt #: 41 total cpu time spent up to now is 49.6 secs Computing kpt #: 42 total cpu time spent up to now is 50.7 secs Computing kpt #: 43 total cpu time spent up to now is 51.8 secs Computing kpt #: 44 total cpu time spent up to now is 52.9 secs Computing kpt #: 45 total cpu time spent up to now is 54.1 secs Computing kpt #: 46 total cpu time spent up to now is 55.2 secs Computing kpt #: 47 total cpu time spent up to now is 56.3 secs Computing kpt #: 48 total cpu time spent up to now is 57.5 secs Computing kpt #: 49 total cpu time spent up to now is 58.6 secs Computing kpt #: 50 total cpu time spent up to now is 59.7 secs Computing kpt #: 51 total cpu time spent up to now is 61.0 secs Computing kpt #: 52 total cpu time spent up to now is 62.2 secs Computing kpt #: 53 total cpu time spent up to now is 63.5 secs Computing kpt #: 54 total cpu time spent up to now is 64.7 secs Computing kpt #: 55 total cpu time spent up to now is 65.8 secs Computing kpt #: 56 total cpu time spent up to now is 66.9 secs Computing kpt #: 57 total cpu time spent up to now is 67.9 secs Computing kpt #: 58 total cpu time spent up to now is 69.0 secs Computing kpt #: 59 total cpu time spent up to now is 70.1 secs Computing kpt #: 60 total cpu time spent up to now is 71.1 secs Computing kpt #: 61 total cpu time spent up to now is 72.0 secs Computing kpt #: 62 total cpu time spent up to now is 73.0 secs Computing kpt #: 63 total cpu time spent up to now is 73.9 secs Computing kpt #: 64 total cpu time spent up to now is 74.9 secs Computing kpt #: 65 total cpu time spent up to now is 75.9 secs Computing kpt #: 66 total cpu time spent up to now is 77.0 secs Computing kpt #: 67 total cpu time spent up to now is 78.0 secs Computing kpt #: 68 total cpu time spent up to now is 79.2 secs Computing kpt #: 69 total cpu time spent up to now is 80.5 secs Computing kpt #: 70 total cpu time spent up to now is 81.7 secs Computing kpt #: 71 total cpu time spent up to now is 82.6 secs Computing kpt #: 72 total cpu time spent up to now is 83.7 secs Computing kpt #: 73 total cpu time spent up to now is 84.6 secs Computing kpt #: 74 total cpu time spent up to now is 85.6 secs Computing kpt #: 75 total cpu time spent up to now is 86.6 secs Computing kpt #: 76 total cpu time spent up to now is 87.7 secs Computing kpt #: 77 total cpu time spent up to now is 88.7 secs Computing kpt #: 78 total cpu time spent up to now is 89.7 secs Computing kpt #: 79 total cpu time spent up to now is 90.7 secs Computing kpt #: 80 total cpu time spent up to now is 91.7 secs Computing kpt #: 81 total cpu time spent up to now is 92.7 secs Computing kpt #: 82 total cpu time spent up to now is 93.7 secs Computing kpt #: 83 total cpu time spent up to now is 94.6 secs Computing kpt #: 84 total cpu time spent up to now is 95.6 secs Computing kpt #: 85 total cpu time spent up to now is 96.5 secs Computing kpt #: 86 total cpu time spent up to now is 97.4 secs Computing kpt #: 87 total cpu time spent up to now is 98.3 secs Computing kpt #: 88 total cpu time spent up to now is 99.2 secs Computing kpt #: 89 total cpu time spent up to now is 100.0 secs Computing kpt #: 90 total cpu time spent up to now is 100.9 secs Computing kpt #: 91 total cpu time spent up to now is 101.8 secs Computing kpt #: 92 total cpu time spent up to now is 102.7 secs Computing kpt #: 93 total cpu time spent up to now is 103.6 secs Computing kpt #: 94 total cpu time spent up to now is 104.5 secs Computing kpt #: 95 total cpu time spent up to now is 105.4 secs Computing kpt #: 96 total cpu time spent up to now is 106.3 secs Computing kpt #: 97 total cpu time spent up to now is 107.2 secs Computing kpt #: 98 total cpu time spent up to now is 108.0 secs Computing kpt #: 99 total cpu time spent up to now is 108.9 secs Computing kpt #: 100 total cpu time spent up to now is 109.8 secs Computing kpt #: 101 total cpu time spent up to now is 110.6 secs Computing kpt #: 102 total cpu time spent up to now is 111.5 secs Computing kpt #: 103 total cpu time spent up to now is 112.3 secs Computing kpt #: 104 total cpu time spent up to now is 113.2 secs Computing kpt #: 105 total cpu time spent up to now is 114.1 secs Computing kpt #: 106 total cpu time spent up to now is 115.0 secs Computing kpt #: 107 total cpu time spent up to now is 116.0 secs Computing kpt #: 108 total cpu time spent up to now is 116.9 secs Computing kpt #: 109 total cpu time spent up to now is 117.9 secs Computing kpt #: 110 total cpu time spent up to now is 118.9 secs Computing kpt #: 111 total cpu time spent up to now is 120.0 secs Computing kpt #: 112 total cpu time spent up to now is 121.1 secs Computing kpt #: 113 total cpu time spent up to now is 122.1 secs Computing kpt #: 114 total cpu time spent up to now is 123.2 secs Computing kpt #: 115 total cpu time spent up to now is 124.3 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.0 secs Computing kpt #: 117 total cpu time spent up to now is 127.1 secs Computing kpt #: 118 total cpu time spent up to now is 128.2 secs Computing kpt #: 119 total cpu time spent up to now is 129.3 secs Computing kpt #: 120 total cpu time spent up to now is 130.3 secs Computing kpt #: 121 total cpu time spent up to now is 131.3 secs Computing kpt #: 122 total cpu time spent up to now is 132.3 secs Computing kpt #: 123 total cpu time spent up to now is 133.3 secs Computing kpt #: 124 total cpu time spent up to now is 134.2 secs Computing kpt #: 125 total cpu time spent up to now is 135.2 secs Computing kpt #: 126 total cpu time spent up to now is 136.1 secs Computing kpt #: 127 total cpu time spent up to now is 137.0 secs Computing kpt #: 128 total cpu time spent up to now is 137.9 secs Computing kpt #: 129 total cpu time spent up to now is 138.8 secs Computing kpt #: 130 total cpu time spent up to now is 139.7 secs Computing kpt #: 131 total cpu time spent up to now is 140.6 secs Computing kpt #: 132 total cpu time spent up to now is 141.5 secs Computing kpt #: 133 total cpu time spent up to now is 142.4 secs Computing kpt #: 134 total cpu time spent up to now is 143.4 secs Computing kpt #: 135 total cpu time spent up to now is 144.3 secs Computing kpt #: 136 total cpu time spent up to now is 145.2 secs Computing kpt #: 137 total cpu time spent up to now is 146.2 secs Computing kpt #: 138 total cpu time spent up to now is 147.2 secs Computing kpt #: 139 total cpu time spent up to now is 148.3 secs Computing kpt #: 140 total cpu time spent up to now is 149.3 secs Computing kpt #: 141 total cpu time spent up to now is 150.4 secs Computing kpt #: 142 total cpu time spent up to now is 151.5 secs Computing kpt #: 143 total cpu time spent up to now is 152.4 secs Computing kpt #: 144 total cpu time spent up to now is 153.4 secs Computing kpt #: 145 total cpu time spent up to now is 154.3 secs Computing kpt #: 146 total cpu time spent up to now is 155.2 secs Computing kpt #: 147 total cpu time spent up to now is 156.2 secs Computing kpt #: 148 total cpu time spent up to now is 157.1 secs Computing kpt #: 149 total cpu time spent up to now is 158.1 secs Computing kpt #: 150 total cpu time spent up to now is 159.2 secs Computing kpt #: 151 total cpu time spent up to now is 160.3 secs Computing kpt #: 152 total cpu time spent up to now is 161.4 secs Computing kpt #: 153 total cpu time spent up to now is 162.4 secs Computing kpt #: 154 total cpu time spent up to now is 163.4 secs Computing kpt #: 155 total cpu time spent up to now is 164.5 secs Computing kpt #: 156 total cpu time spent up to now is 165.6 secs Computing kpt #: 157 total cpu time spent up to now is 166.7 secs Computing kpt #: 158 total cpu time spent up to now is 167.7 secs Computing kpt #: 159 total cpu time spent up to now is 168.9 secs Computing kpt #: 160 total cpu time spent up to now is 170.0 secs Computing kpt #: 161 total cpu time spent up to now is 171.1 secs Computing kpt #: 162 total cpu time spent up to now is 172.2 secs Computing kpt #: 163 total cpu time spent up to now is 173.3 secs Computing kpt #: 164 total cpu time spent up to now is 174.5 secs Computing kpt #: 165 total cpu time spent up to now is 175.6 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 177.5 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 179.4 secs Computing kpt #: 168 total cpu time spent up to now is 181.0 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 182.9 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 184.8 secs Computing kpt #: 171 total cpu time spent up to now is 185.9 secs Computing kpt #: 172 total cpu time spent up to now is 187.1 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.9 secs Computing kpt #: 174 total cpu time spent up to now is 190.2 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 192.0 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.9 secs Computing kpt #: 177 total cpu time spent up to now is 195.1 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.1 secs Computing kpt #: 179 total cpu time spent up to now is 198.2 secs Computing kpt #: 180 total cpu time spent up to now is 199.4 secs Computing kpt #: 181 total cpu time spent up to now is 200.7 secs Computing kpt #: 182 total cpu time spent up to now is 201.9 secs Computing kpt #: 183 total cpu time spent up to now is 203.0 secs Computing kpt #: 184 total cpu time spent up to now is 204.1 secs Computing kpt #: 185 total cpu time spent up to now is 205.3 secs Computing kpt #: 186 total cpu time spent up to now is 206.4 secs Computing kpt #: 187 total cpu time spent up to now is 207.5 secs Computing kpt #: 188 total cpu time spent up to now is 208.6 secs Computing kpt #: 189 total cpu time spent up to now is 209.9 secs Computing kpt #: 190 total cpu time spent up to now is 211.1 secs Computing kpt #: 191 total cpu time spent up to now is 212.3 secs Computing kpt #: 192 total cpu time spent up to now is 213.5 secs Computing kpt #: 193 total cpu time spent up to now is 214.6 secs Computing kpt #: 194 total cpu time spent up to now is 215.7 secs Computing kpt #: 195 total cpu time spent up to now is 216.8 secs Computing kpt #: 196 total cpu time spent up to now is 217.9 secs Computing kpt #: 197 total cpu time spent up to now is 219.0 secs Computing kpt #: 198 total cpu time spent up to now is 220.1 secs Computing kpt #: 199 total cpu time spent up to now is 221.2 secs Computing kpt #: 200 total cpu time spent up to now is 222.3 secs Computing kpt #: 201 total cpu time spent up to now is 223.4 secs Computing kpt #: 202 total cpu time spent up to now is 224.4 secs Computing kpt #: 203 total cpu time spent up to now is 225.4 secs Computing kpt #: 204 total cpu time spent up to now is 226.4 secs Computing kpt #: 205 total cpu time spent up to now is 227.4 secs Computing kpt #: 206 total cpu time spent up to now is 228.3 secs Computing kpt #: 207 total cpu time spent up to now is 229.3 secs Computing kpt #: 208 total cpu time spent up to now is 230.3 secs Computing kpt #: 209 total cpu time spent up to now is 231.3 secs Computing kpt #: 210 total cpu time spent up to now is 232.4 secs Computing kpt #: 211 total cpu time spent up to now is 233.4 secs Computing kpt #: 212 total cpu time spent up to now is 234.4 secs Computing kpt #: 213 total cpu time spent up to now is 235.4 secs Computing kpt #: 214 total cpu time spent up to now is 236.6 secs Computing kpt #: 215 total cpu time spent up to now is 237.7 secs Computing kpt #: 216 total cpu time spent up to now is 238.8 secs Computing kpt #: 217 total cpu time spent up to now is 239.9 secs Computing kpt #: 218 total cpu time spent up to now is 241.0 secs Computing kpt #: 219 total cpu time spent up to now is 242.1 secs Computing kpt #: 220 total cpu time spent up to now is 243.3 secs Computing kpt #: 221 total cpu time spent up to now is 244.4 secs Computing kpt #: 222 total cpu time spent up to now is 245.6 secs Computing kpt #: 223 total cpu time spent up to now is 246.8 secs Computing kpt #: 224 total cpu time spent up to now is 247.9 secs Computing kpt #: 225 total cpu time spent up to now is 249.1 secs Computing kpt #: 226 total cpu time spent up to now is 250.4 secs Computing kpt #: 227 total cpu time spent up to now is 251.6 secs Computing kpt #: 228 total cpu time spent up to now is 252.7 secs Computing kpt #: 229 total cpu time spent up to now is 253.9 secs Computing kpt #: 230 total cpu time spent up to now is 255.1 secs Computing kpt #: 231 total cpu time spent up to now is 256.3 secs Computing kpt #: 232 total cpu time spent up to now is 257.5 secs Computing kpt #: 233 total cpu time spent up to now is 258.6 secs Computing kpt #: 234 total cpu time spent up to now is 259.8 secs Computing kpt #: 235 total cpu time spent up to now is 261.0 secs Computing kpt #: 236 total cpu time spent up to now is 262.2 secs Computing kpt #: 237 total cpu time spent up to now is 263.3 secs Computing kpt #: 238 total cpu time spent up to now is 264.5 secs Computing kpt #: 239 total cpu time spent up to now is 265.6 secs Computing kpt #: 240 total cpu time spent up to now is 266.7 secs Computing kpt #: 241 total cpu time spent up to now is 267.8 secs Computing kpt #: 242 total cpu time spent up to now is 269.0 secs Computing kpt #: 243 total cpu time spent up to now is 270.1 secs Computing kpt #: 244 total cpu time spent up to now is 271.3 secs Computing kpt #: 245 total cpu time spent up to now is 272.5 secs Computing kpt #: 246 total cpu time spent up to now is 273.8 secs Computing kpt #: 247 total cpu time spent up to now is 275.0 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.9 secs Computing kpt #: 249 total cpu time spent up to now is 278.2 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.0 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.8 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.7 secs Computing kpt #: 253 total cpu time spent up to now is 284.8 secs ethr = 2.00E-08, avg # of iterations = 52.5 total cpu time spent up to now is 284.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4139 PWs) bands (ev): -31.3181 -31.3181 -31.2457 -31.2457 -31.2457 -31.2457 -14.1330 -14.1330 -14.1330 -14.1330 -12.6855 -12.6855 -12.6855 -12.6855 -12.5798 -12.5798 -12.3326 -12.3326 -12.3326 -12.3326 -12.2638 -12.2638 -12.1695 -12.1695 -11.9845 -11.9845 -11.9845 -11.9845 -11.1611 -11.1611 -11.1583 -11.1583 -11.1583 -11.1583 -3.0979 -3.0979 -1.0888 -1.0888 7.0022 7.0022 7.8976 7.8976 7.8976 7.8976 8.7113 8.7113 9.6149 9.6149 9.6149 9.6149 9.6399 9.6399 9.6399 9.6399 10.2822 10.2822 10.7724 10.7724 10.7724 10.7724 k = 0.0000 0.0152-0.0000 ( 4139 PWs) bands (ev): -31.3181 -31.3181 -31.2457 -31.2457 -31.2457 -31.2457 -14.1330 -14.1330 -14.1330 -14.1330 -12.6855 -12.6855 -12.6854 -12.6854 -12.5798 -12.5798 -12.3327 -12.3327 -12.3326 -12.3326 -12.2639 -12.2639 -12.1696 -12.1696 -11.9847 -11.9847 -11.9846 -11.9846 -11.1611 -11.1611 -11.1583 -11.1583 -11.1583 -11.1583 -3.0972 -3.0972 -1.0884 -1.0884 6.9999 6.9999 7.8942 7.8942 7.8977 7.8977 8.7069 8.7069 9.5484 9.5484 9.6091 9.6091 9.6415 9.6415 9.6936 9.6936 10.3017 10.3017 10.7749 10.7749 10.7779 10.7779 k = 0.0000 0.0303-0.0000 ( 4136 PWs) bands (ev): -31.3180 -31.3180 -31.2458 -31.2458 -31.2456 -31.2456 -14.1330 -14.1330 -14.1330 -14.1330 -12.6855 -12.6855 -12.6851 -12.6851 -12.5798 -12.5798 -12.3327 -12.3327 -12.3325 -12.3325 -12.2640 -12.2640 -12.1696 -12.1696 -11.9853 -11.9853 -11.9848 -11.9848 -11.1610 -11.1610 -11.1582 -11.1582 -11.1582 -11.1582 -3.0950 -3.0950 -1.0869 -1.0869 6.9932 6.9932 7.8839 7.8839 7.8977 7.8977 8.6939 8.6939 9.4617 9.4617 9.5921 9.5921 9.6465 9.6465 9.7454 9.7454 10.3567 10.3567 10.7795 10.7795 10.7945 10.7945 k = 0.0000 0.0455-0.0000 ( 4120 PWs) bands (ev): -31.3178 -31.3178 -31.2460 -31.2460 -31.2456 -31.2456 -14.1331 -14.1331 -14.1331 -14.1331 -12.6854 -12.6854 -12.6847 -12.6847 -12.5796 -12.5796 -12.3327 -12.3327 -12.3323 -12.3323 -12.2641 -12.2641 -12.1697 -12.1697 -11.9863 -11.9863 -11.9850 -11.9850 -11.1609 -11.1609 -11.1581 -11.1581 -11.1581 -11.1581 -3.0915 -3.0915 -1.0845 -1.0845 6.9818 6.9818 7.8675 7.8675 7.8979 7.8979 8.6725 8.6725 9.3697 9.3697 9.5651 9.5651 9.6547 9.6547 9.7880 9.7880 10.4389 10.4389 10.7845 10.7845 10.8224 10.8224 k = 0.0000 0.0606-0.0000 ( 4124 PWs) bands (ev): -31.3175 -31.3175 -31.2462 -31.2462 -31.2456 -31.2456 -14.1331 -14.1331 -14.1331 -14.1331 -12.6853 -12.6853 -12.6840 -12.6840 -12.5796 -12.5796 -12.3328 -12.3328 -12.3320 -12.3320 -12.2644 -12.2644 -12.1699 -12.1699 -11.9878 -11.9878 -11.9854 -11.9854 -11.1608 -11.1608 -11.1580 -11.1580 -11.1579 -11.1579 -3.0865 -3.0865 -1.0811 -1.0811 6.9656 6.9656 7.8458 7.8458 7.8982 7.8982 8.6428 8.6428 9.2763 9.2763 9.5298 9.5298 9.6661 9.6661 9.8256 9.8256 10.5387 10.5387 10.7904 10.7904 10.8619 10.8619 k = 0.0000 0.0758-0.0000 ( 4116 PWs) bands (ev): -31.3172 -31.3172 -31.2465 -31.2465 -31.2456 -31.2456 -14.1332 -14.1332 -14.1332 -14.1332 -12.6852 -12.6852 -12.6832 -12.6832 -12.5794 -12.5794 -12.3329 -12.3329 -12.3317 -12.3317 -12.2646 -12.2646 -12.1701 -12.1701 -11.9897 -11.9897 -11.9859 -11.9859 -11.1605 -11.1605 -11.1578 -11.1578 -11.1577 -11.1577 -3.0803 -3.0803 -1.0768 -1.0768 6.9443 6.9443 7.8199 7.8199 7.8985 7.8985 8.6053 8.6053 9.1843 9.1843 9.4879 9.4879 9.6807 9.6807 9.8615 9.8615 10.6476 10.6476 10.7978 10.7978 10.9143 10.9143 k = 0.0000 0.0909-0.0000 ( 4112 PWs) bands (ev): -31.3168 -31.3168 -31.2469 -31.2469 -31.2456 -31.2456 -14.1333 -14.1333 -14.1332 -14.1332 -12.6850 -12.6850 -12.6822 -12.6822 -12.5793 -12.5793 -12.3330 -12.3330 -12.3313 -12.3313 -12.2650 -12.2650 -12.1704 -12.1704 -11.9919 -11.9919 -11.9866 -11.9866 -11.1603 -11.1603 -11.1576 -11.1576 -11.1575 -11.1575 -3.0727 -3.0727 -1.0716 -1.0716 6.9178 6.9178 7.7910 7.7910 7.8990 7.8990 8.5603 8.5603 9.0954 9.0954 9.4410 9.4410 9.6985 9.6985 9.8977 9.8977 10.7575 10.7575 10.8066 10.8066 10.9822 10.9822 k = 0.0000 0.1061-0.0000 ( 4116 PWs) bands (ev): -31.3163 -31.3163 -31.2474 -31.2474 -31.2456 -31.2456 -14.1333 -14.1333 -14.1333 -14.1333 -12.6849 -12.6849 -12.6810 -12.6810 -12.5792 -12.5792 -12.3332 -12.3332 -12.3308 -12.3308 -12.2654 -12.2654 -12.1707 -12.1707 -11.9946 -11.9946 -11.9874 -11.9874 -11.1600 -11.1600 -11.1573 -11.1573 -11.1572 -11.1572 -3.0639 -3.0639 -1.0656 -1.0656 6.8858 6.8858 7.7605 7.7605 7.8996 7.8996 8.5085 8.5085 9.0110 9.0110 9.3906 9.3906 9.7194 9.7194 9.9356 9.9356 10.8168 10.8168 10.8610 10.8610 11.0689 11.0689 k = 0.0000 0.1212-0.0000 ( 4124 PWs) bands (ev): -31.3158 -31.3158 -31.2479 -31.2479 -31.2456 -31.2456 -14.1334 -14.1334 -14.1334 -14.1334 -12.6847 -12.6847 -12.6796 -12.6796 -12.5791 -12.5791 -12.3334 -12.3334 -12.3303 -12.3303 -12.2659 -12.2659 -12.1710 -12.1710 -11.9976 -11.9976 -11.9882 -11.9882 -11.1597 -11.1597 -11.1570 -11.1570 -11.1568 -11.1568 -3.0539 -3.0539 -1.0588 -1.0588 6.8483 6.8483 7.7294 7.7294 7.9004 7.9004 8.4504 8.4504 8.9315 8.9315 9.3378 9.3378 9.7434 9.7434 9.9754 9.9754 10.8284 10.8284 10.9548 10.9548 11.1635 11.1635 k = 0.0000 0.1364-0.0000 ( 4140 PWs) bands (ev): -31.3152 -31.3152 -31.2485 -31.2485 -31.2456 -31.2456 -14.1336 -14.1336 -14.1335 -14.1335 -12.6846 -12.6846 -12.6781 -12.6781 -12.5791 -12.5791 -12.3336 -12.3336 -12.3297 -12.3297 -12.2665 -12.2665 -12.1713 -12.1713 -12.0010 -12.0010 -11.9892 -11.9892 -11.1594 -11.1594 -11.1566 -11.1566 -11.1564 -11.1564 -3.0428 -3.0428 -1.0512 -1.0512 6.8053 6.8053 7.6989 7.6989 7.9014 7.9014 8.3870 8.3870 8.8571 8.8571 9.2834 9.2834 9.7704 9.7704 10.0175 10.0175 10.8416 10.8416 11.0412 11.0412 11.2443 11.2443 k = 0.0000 0.1515-0.0000 ( 4132 PWs) bands (ev): -31.3145 -31.3145 -31.2492 -31.2492 -31.2456 -31.2456 -14.1337 -14.1337 -14.1337 -14.1337 -12.6844 -12.6844 -12.6764 -12.6764 -12.5790 -12.5790 -12.3339 -12.3339 -12.3290 -12.3290 -12.2671 -12.2671 -12.1715 -12.1715 -12.0047 -12.0047 -11.9903 -11.9903 -11.1591 -11.1591 -11.1562 -11.1562 -11.1560 -11.1560 -3.0307 -3.0307 -1.0430 -1.0430 6.7573 6.7573 7.6697 7.6697 7.9026 7.9026 8.3193 8.3193 8.7878 8.7878 9.2283 9.2283 9.8002 9.8002 10.0618 10.0618 10.8561 10.8561 11.1245 11.1245 11.3289 11.3289 k = 0.0000 0.1667-0.0000 ( 4132 PWs) bands (ev): -31.3138 -31.3138 -31.2499 -31.2499 -31.2456 -31.2456 -14.1338 -14.1338 -14.1338 -14.1338 -12.6841 -12.6841 -12.6745 -12.6745 -12.5789 -12.5789 -12.3342 -12.3342 -12.3282 -12.3282 -12.2677 -12.2677 -12.1716 -12.1716 -12.0087 -12.0087 -11.9914 -11.9914 -11.1587 -11.1587 -11.1557 -11.1557 -11.1556 -11.1556 -3.0178 -3.0178 -1.0341 -1.0341 6.7046 6.7046 7.6424 7.6424 7.9041 7.9041 8.2486 8.2486 8.7231 8.7231 9.1730 9.1730 9.8328 9.8328 10.1084 10.1084 10.8720 10.8720 11.2077 11.2077 11.4165 11.4165 k = 0.0000 0.1818-0.0000 ( 4124 PWs) bands (ev): -31.3130 -31.3130 -31.2506 -31.2506 -31.2456 -31.2456 -14.1339 -14.1339 -14.1339 -14.1339 -12.6839 -12.6839 -12.6725 -12.6725 -12.5789 -12.5789 -12.3345 -12.3345 -12.3273 -12.3273 -12.2684 -12.2684 -12.1717 -12.1717 -12.0131 -12.0131 -11.9926 -11.9926 -11.1584 -11.1584 -11.1552 -11.1552 -11.1551 -11.1551 -3.0040 -3.0040 -1.0247 -1.0247 6.6479 6.6479 7.6170 7.6170 7.9058 7.9058 8.1760 8.1760 8.6625 8.6625 9.1179 9.1179 9.8681 9.8681 10.1571 10.1571 10.8892 10.8892 11.2919 11.2919 11.5066 11.5066 k = 0.0000 0.1970-0.0000 ( 4128 PWs) bands (ev): -31.3121 -31.3121 -31.2515 -31.2515 -31.2456 -31.2456 -14.1341 -14.1341 -14.1341 -14.1341 -12.6837 -12.6837 -12.6703 -12.6703 -12.5789 -12.5789 -12.3349 -12.3349 -12.3264 -12.3264 -12.2692 -12.2692 -12.1718 -12.1718 -12.0176 -12.0176 -11.9938 -11.9938 -11.1580 -11.1580 -11.1547 -11.1547 -11.1546 -11.1546 -2.9896 -2.9896 -1.0149 -1.0149 6.5879 6.5879 7.5937 7.5937 7.9080 7.9080 8.1028 8.1028 8.6054 8.6054 9.0634 9.0634 9.9060 9.9060 10.2079 10.2079 10.9077 10.9077 11.3778 11.3778 11.5985 11.5985 k = 0.0000 0.2121-0.0000 ( 4132 PWs) bands (ev): -31.3112 -31.3112 -31.2524 -31.2524 -31.2456 -31.2456 -14.1342 -14.1342 -14.1342 -14.1342 -12.6835 -12.6835 -12.6680 -12.6680 -12.5790 -12.5790 -12.3353 -12.3353 -12.3254 -12.3254 -12.2701 -12.2701 -12.1717 -12.1717 -12.0224 -12.0224 -11.9951 -11.9951 -11.1577 -11.1577 -11.1541 -11.1541 -11.1541 -11.1541 -2.9746 -2.9746 -1.0046 -1.0046 6.5256 6.5256 7.5721 7.5721 7.9104 7.9104 8.0300 8.0300 8.5515 8.5515 9.0098 9.0098 9.9461 9.9461 10.2606 10.2606 10.9273 10.9273 11.4653 11.4653 11.6923 11.6923 k = 0.0000 0.2273-0.0000 ( 4132 PWs) bands (ev): -31.3103 -31.3103 -31.2533 -31.2533 -31.2456 -31.2456 -14.1344 -14.1344 -14.1343 -14.1343 -12.6833 -12.6833 -12.6656 -12.6656 -12.5791 -12.5791 -12.3358 -12.3358 -12.3243 -12.3243 -12.2710 -12.2710 -12.1715 -12.1715 -12.0274 -12.0274 -11.9965 -11.9965 -11.1573 -11.1573 -11.1536 -11.1536 -11.1535 -11.1535 -2.9592 -2.9592 -0.9941 -0.9941 6.4618 6.4618 7.5519 7.5519 7.9133 7.9133 7.9588 7.9588 8.5004 8.5004 8.9573 8.9573 9.9885 9.9885 10.3152 10.3152 10.9480 10.9480 11.5544 11.5544 11.7872 11.7872 k = 0.0000 0.2424-0.0000 ( 4124 PWs) bands (ev): -31.3093 -31.3093 -31.2543 -31.2543 -31.2456 -31.2456 -14.1345 -14.1345 -14.1345 -14.1345 -12.6830 -12.6830 -12.6630 -12.6630 -12.5793 -12.5793 -12.3362 -12.3362 -12.3231 -12.3231 -12.2719 -12.2719 -12.1711 -12.1711 -12.0327 -12.0327 -11.9978 -11.9978 -11.1570 -11.1570 -11.1531 -11.1531 -11.1529 -11.1529 -2.9435 -2.9435 -0.9833 -0.9833 6.3973 6.3973 7.5324 7.5324 7.8903 7.8903 7.9167 7.9167 8.4519 8.4519 8.9061 8.9061 10.0329 10.0329 10.3716 10.3716 10.9697 10.9697 11.6446 11.6446 11.8830 11.8830 k = 0.0000 0.2576-0.0000 ( 4124 PWs) bands (ev): -31.3083 -31.3083 -31.2553 -31.2553 -31.2456 -31.2456 -14.1347 -14.1347 -14.1346 -14.1346 -12.6828 -12.6828 -12.6603 -12.6603 -12.5796 -12.5796 -12.3368 -12.3368 -12.3219 -12.3219 -12.2729 -12.2729 -12.1706 -12.1706 -12.0381 -12.0381 -11.9992 -11.9992 -11.1567 -11.1567 -11.1526 -11.1526 -11.1523 -11.1523 -2.9276 -2.9276 -0.9725 -0.9725 6.3330 6.3330 7.5128 7.5128 7.8258 7.8258 7.9205 7.9205 8.4058 8.4058 8.8564 8.8564 10.0790 10.0790 10.4297 10.4297 10.9923 10.9923 11.7356 11.7356 11.9794 11.9794 k = 0.0000 0.2727-0.0000 ( 4124 PWs) bands (ev): -31.3072 -31.3072 -31.2563 -31.2563 -31.2455 -31.2455 -14.1349 -14.1349 -14.1348 -14.1348 -12.6825 -12.6825 -12.6575 -12.6575 -12.5800 -12.5800 -12.3374 -12.3374 -12.3206 -12.3206 -12.2740 -12.2740 -12.1699 -12.1699 -12.0436 -12.0436 -12.0006 -12.0006 -11.1563 -11.1563 -11.1521 -11.1521 -11.1517 -11.1517 -2.9117 -2.9117 -0.9616 -0.9616 6.2695 6.2695 7.4917 7.4917 7.7667 7.7667 7.9248 7.9248 8.3621 8.3621 8.8083 8.8083 10.1266 10.1266 10.4894 10.4894 11.0156 11.0156 11.8269 11.8269 12.0761 12.0761 k = 0.0000 0.2879-0.0000 ( 4132 PWs) bands (ev): -31.3061 -31.3061 -31.2574 -31.2574 -31.2455 -31.2455 -14.1350 -14.1350 -14.1349 -14.1349 -12.6823 -12.6823 -12.6546 -12.6546 -12.5806 -12.5806 -12.3380 -12.3380 -12.3193 -12.3193 -12.2752 -12.2752 -12.1690 -12.1690 -12.0493 -12.0493 -12.0020 -12.0020 -11.1560 -11.1560 -11.1516 -11.1516 -11.1511 -11.1511 -2.8959 -2.8959 -0.9509 -0.9509 6.2074 6.2074 7.4678 7.4678 7.7147 7.7147 7.9296 7.9296 8.3207 8.3207 8.7619 8.7619 10.1753 10.1753 10.5504 10.5504 11.0394 11.0394 11.9177 11.9177 12.1727 12.1727 k = 0.0000 0.3030-0.0000 ( 4128 PWs) bands (ev): -31.3050 -31.3050 -31.2585 -31.2585 -31.2455 -31.2455 -14.1352 -14.1352 -14.1351 -14.1351 -12.6821 -12.6821 -12.6517 -12.6517 -12.5812 -12.5812 -12.3386 -12.3386 -12.3178 -12.3178 -12.2763 -12.2763 -12.1678 -12.1678 -12.0550 -12.0550 -12.0034 -12.0034 -11.1557 -11.1557 -11.1511 -11.1511 -11.1505 -11.1505 -2.8805 -2.8805 -0.9403 -0.9403 6.1475 6.1475 7.4397 7.4397 7.6715 7.6715 7.9349 7.9349 8.2816 8.2816 8.7174 8.7174 10.2248 10.2248 10.6128 10.6128 11.0638 11.0638 12.0070 12.0070 12.2689 12.2689 k = 0.0000 0.3182-0.0000 ( 4128 PWs) bands (ev): -31.3038 -31.3038 -31.2596 -31.2596 -31.2455 -31.2455 -14.1353 -14.1353 -14.1352 -14.1352 -12.6818 -12.6818 -12.6487 -12.6487 -12.5819 -12.5819 -12.3393 -12.3393 -12.3164 -12.3164 -12.2776 -12.2776 -12.1664 -12.1664 -12.0608 -12.0608 -12.0047 -12.0047 -11.1554 -11.1554 -11.1506 -11.1506 -11.1499 -11.1499 -2.8654 -2.8654 -0.9300 -0.9300 6.0902 6.0902 7.4069 7.4069 7.6377 7.6377 7.9407 7.9407 8.2448 8.2448 8.6750 8.6750 10.2747 10.2747 10.6761 10.6761 11.0883 11.0883 12.0927 12.0927 12.3645 12.3645 k = 0.0000 0.3333-0.0000 ( 4128 PWs) bands (ev): -31.3027 -31.3027 -31.2608 -31.2608 -31.2455 -31.2455 -14.1354 -14.1354 -14.1354 -14.1354 -12.6816 -12.6816 -12.6457 -12.6457 -12.5828 -12.5828 -12.3400 -12.3400 -12.3148 -12.3148 -12.2789 -12.2789 -12.1648 -12.1648 -12.0666 -12.0666 -12.0059 -12.0059 -11.1551 -11.1551 -11.1501 -11.1501 -11.1493 -11.1493 -2.8509 -2.8509 -0.9201 -0.9201 6.0360 6.0360 7.3701 7.3701 7.6127 7.6127 7.9471 7.9471 8.2104 8.2104 8.6346 8.6346 10.3245 10.3245 10.7403 10.7403 11.1128 11.1128 12.1709 12.1709 12.4383 12.4383 k = 0.0000 0.3485-0.0000 ( 4128 PWs) bands (ev): -31.3015 -31.3015 -31.2619 -31.2619 -31.2455 -31.2455 -14.1356 -14.1356 -14.1355 -14.1355 -12.6815 -12.6815 -12.6426 -12.6426 -12.5838 -12.5838 -12.3406 -12.3406 -12.3133 -12.3133 -12.2802 -12.2802 -12.1630 -12.1630 -12.0724 -12.0724 -12.0071 -12.0071 -11.1549 -11.1549 -11.1497 -11.1497 -11.1488 -11.1488 -2.8372 -2.8372 -0.9107 -0.9107 5.9853 5.9853 7.3312 7.3312 7.5949 7.5949 7.9538 7.9538 8.1785 8.1785 8.5965 8.5965 10.3738 10.3738 10.8050 10.8050 11.1371 11.1371 12.2337 12.2337 12.4637 12.4637 k = 0.0000 0.3636-0.0000 ( 4136 PWs) bands (ev): -31.3004 -31.3004 -31.2631 -31.2631 -31.2455 -31.2455 -14.1357 -14.1357 -14.1356 -14.1356 -12.6813 -12.6813 -12.6396 -12.6396 -12.5849 -12.5849 -12.3413 -12.3413 -12.3117 -12.3117 -12.2817 -12.2817 -12.1609 -12.1609 -12.0782 -12.0782 -12.0083 -12.0083 -11.1546 -11.1546 -11.1493 -11.1493 -11.1483 -11.1483 -2.8242 -2.8242 -0.9019 -0.9019 5.9384 5.9384 7.2922 7.2922 7.5824 7.5824 7.9609 7.9609 8.1490 8.1490 8.5607 8.5607 10.4217 10.4217 10.8697 10.8697 11.1608 11.1608 12.2694 12.2694 12.5037 12.5037 k = 0.0000 0.3788-0.0000 ( 4140 PWs) bands (ev): -31.2993 -31.2993 -31.2642 -31.2642 -31.2455 -31.2455 -14.1358 -14.1358 -14.1357 -14.1357 -12.6812 -12.6812 -12.6366 -12.6366 -12.5861 -12.5861 -12.3419 -12.3419 -12.3100 -12.3100 -12.2831 -12.2831 -12.1585 -12.1585 -12.0839 -12.0839 -12.0093 -12.0093 -11.1544 -11.1544 -11.1489 -11.1489 -11.1479 -11.1479 -2.8123 -2.8123 -0.8937 -0.8937 5.8957 5.8957 7.2547 7.2547 7.5736 7.5736 7.9683 7.9683 8.1223 8.1223 8.5276 8.5276 10.4679 10.4679 10.9340 10.9340 11.1837 11.1837 12.2748 12.2748 12.5627 12.5627 k = 0.0000 0.3939-0.0000 ( 4140 PWs) bands (ev): -31.2982 -31.2982 -31.2652 -31.2652 -31.2455 -31.2455 -14.1359 -14.1359 -14.1358 -14.1358 -12.6810 -12.6810 -12.6336 -12.6336 -12.5874 -12.5874 -12.3425 -12.3425 -12.3083 -12.3083 -12.2846 -12.2846 -12.1559 -12.1559 -12.0895 -12.0895 -12.0103 -12.0103 -11.1542 -11.1542 -11.1486 -11.1486 -11.1474 -11.1474 -2.8014 -2.8014 -0.8863 -0.8863 5.8574 5.8574 7.2198 7.2198 7.5676 7.5676 7.9758 7.9758 8.0982 8.0982 8.4972 8.4972 10.5113 10.5113 10.9971 10.9971 11.2052 11.2052 12.2590 12.2590 12.6099 12.6099 k = 0.0000 0.4091-0.0000 ( 4132 PWs) bands (ev): -31.2972 -31.2972 -31.2662 -31.2662 -31.2455 -31.2455 -14.1360 -14.1360 -14.1359 -14.1359 -12.6809 -12.6809 -12.6308 -12.6308 -12.5888 -12.5888 -12.3430 -12.3430 -12.3066 -12.3066 -12.2861 -12.2861 -12.1531 -12.1531 -12.0949 -12.0949 -12.0111 -12.0111 -11.1540 -11.1540 -11.1483 -11.1483 -11.1471 -11.1471 -2.7917 -2.7917 -0.8797 -0.8797 5.8238 5.8238 7.1885 7.1885 7.5634 7.5634 7.9833 7.9833 8.0770 8.0770 8.4698 8.4698 10.5514 10.5514 11.0581 11.0581 11.2252 11.2252 12.2312 12.2312 12.5795 12.5795 k = 0.0000 0.4242-0.0000 ( 4132 PWs) bands (ev): -31.2963 -31.2963 -31.2671 -31.2671 -31.2455 -31.2455 -14.1361 -14.1361 -14.1360 -14.1360 -12.6808 -12.6808 -12.6282 -12.6282 -12.5902 -12.5902 -12.3435 -12.3435 -12.3048 -12.3048 -12.2877 -12.2877 -12.1500 -12.1500 -12.1002 -12.1002 -12.0118 -12.0118 -11.1539 -11.1539 -11.1480 -11.1480 -11.1468 -11.1468 -2.7834 -2.7834 -0.8740 -0.8740 5.7950 5.7950 7.1612 7.1612 7.5606 7.5606 7.9905 7.9905 8.0588 8.0588 8.4457 8.4457 10.5873 10.5873 11.1157 11.1157 11.2431 11.2431 12.1973 12.1973 12.5525 12.5525 k = 0.0000 0.4394-0.0000 ( 4136 PWs) bands (ev): -31.2955 -31.2955 -31.2679 -31.2679 -31.2455 -31.2455 -14.1361 -14.1361 -14.1360 -14.1360 -12.6807 -12.6807 -12.6257 -12.6257 -12.5916 -12.5916 -12.3439 -12.3439 -12.3031 -12.3031 -12.2893 -12.2893 -12.1469 -12.1469 -12.1053 -12.1053 -12.0124 -12.0124 -11.1537 -11.1537 -11.1478 -11.1478 -11.1465 -11.1465 -2.7764 -2.7764 -0.8693 -0.8693 5.7713 5.7713 7.1384 7.1384 7.5589 7.5589 7.9970 7.9970 8.0436 8.0436 8.4252 8.4252 10.6181 10.6181 11.1683 11.1683 11.2585 11.2585 12.1617 12.1617 12.5296 12.5296 k = 0.0000 0.4545-0.0000 ( 4144 PWs) bands (ev): -31.2948 -31.2948 -31.2686 -31.2686 -31.2455 -31.2455 -14.1362 -14.1362 -14.1361 -14.1361 -12.6807 -12.6807 -12.6236 -12.6236 -12.5929 -12.5929 -12.3443 -12.3443 -12.3014 -12.3014 -12.2910 -12.2910 -12.1437 -12.1437 -12.1100 -12.1100 -12.0129 -12.0129 -11.1536 -11.1536 -11.1476 -11.1476 -11.1463 -11.1463 -2.7709 -2.7709 -0.8655 -0.8655 5.7526 5.7526 7.1204 7.1204 7.5577 7.5577 8.0027 8.0027 8.0317 8.0317 8.4087 8.4087 10.6431 10.6431 11.2137 11.2137 11.2710 11.2710 12.1283 12.1283 12.5111 12.5111 k = 0.0000 0.4697-0.0000 ( 4136 PWs) bands (ev): -31.2943 -31.2943 -31.2691 -31.2691 -31.2455 -31.2455 -14.1362 -14.1362 -14.1361 -14.1361 -12.6806 -12.6806 -12.6220 -12.6220 -12.5939 -12.5939 -12.3445 -12.3445 -12.2996 -12.2996 -12.2927 -12.2927 -12.1406 -12.1406 -12.1141 -12.1141 -12.0132 -12.0132 -11.1536 -11.1536 -11.1475 -11.1475 -11.1461 -11.1461 -2.7670 -2.7670 -0.8628 -0.8628 5.7393 5.7393 7.1074 7.1074 7.5571 7.5571 8.0070 8.0070 8.0231 8.0231 8.3966 8.3966 10.6615 10.6615 11.2492 11.2492 11.2802 11.2802 12.1008 12.1008 12.4977 12.4977 k = 0.0000 0.4848-0.0000 ( 4136 PWs) bands (ev): -31.2939 -31.2939 -31.2694 -31.2694 -31.2455 -31.2455 -14.1362 -14.1362 -14.1361 -14.1361 -12.6806 -12.6806 -12.6209 -12.6209 -12.5946 -12.5946 -12.3447 -12.3447 -12.2979 -12.2979 -12.2944 -12.2944 -12.1383 -12.1383 -12.1171 -12.1171 -12.0134 -12.0134 -11.1535 -11.1535 -11.1474 -11.1474 -11.1460 -11.1460 -2.7646 -2.7646 -0.8612 -0.8612 5.7312 5.7312 7.0996 7.0996 7.5568 7.5568 8.0098 8.0098 8.0179 8.0179 8.3891 8.3891 10.6727 10.6727 11.2721 11.2721 11.2859 11.2859 12.0824 12.0824 12.4894 12.4894 k = 0.0000 0.5000-0.0000 ( 4140 PWs) bands (ev): -31.2938 -31.2938 -31.2695 -31.2695 -31.2455 -31.2455 -14.1363 -14.1363 -14.1361 -14.1361 -12.6806 -12.6806 -12.6206 -12.6206 -12.5948 -12.5948 -12.3447 -12.3447 -12.2963 -12.2963 -12.2960 -12.2960 -12.1373 -12.1373 -12.1183 -12.1183 -12.0135 -12.0135 -11.1535 -11.1535 -11.1474 -11.1474 -11.1460 -11.1460 -2.7638 -2.7638 -0.8606 -0.8606 5.7285 5.7285 7.0969 7.0969 7.5567 7.5567 8.0108 8.0108 8.0162 8.0162 8.3866 8.3866 10.6765 10.6765 11.2800 11.2800 11.2878 11.2878 12.0760 12.0760 12.4867 12.4867 k = 0.0000 0.5000-0.0000 ( 4140 PWs) bands (ev): -31.2938 -31.2938 -31.2695 -31.2695 -31.2455 -31.2455 -14.1363 -14.1363 -14.1361 -14.1361 -12.6806 -12.6806 -12.6206 -12.6206 -12.5948 -12.5948 -12.3447 -12.3447 -12.2963 -12.2963 -12.2960 -12.2960 -12.1373 -12.1373 -12.1183 -12.1183 -12.0135 -12.0135 -11.1535 -11.1535 -11.1474 -11.1474 -11.1460 -11.1460 -2.7638 -2.7638 -0.8606 -0.8606 5.7285 5.7285 7.0969 7.0969 7.5567 7.5567 8.0108 8.0108 8.0162 8.0162 8.3866 8.3866 10.6765 10.6765 11.2800 11.2800 11.2878 11.2878 12.0760 12.0760 12.4867 12.4867 k = 0.0152 0.5000-0.0000 ( 4136 PWs) bands (ev): -31.2938 -31.2938 -31.2695 -31.2695 -31.2455 -31.2455 -14.1363 -14.1363 -14.1361 -14.1361 -12.6805 -12.6805 -12.6208 -12.6208 -12.5947 -12.5947 -12.3447 -12.3447 -12.2986 -12.2986 -12.2935 -12.2935 -12.1389 -12.1389 -12.1169 -12.1169 -12.0134 -12.0134 -11.1535 -11.1535 -11.1474 -11.1474 -11.1460 -11.1460 -2.7631 -2.7631 -0.8603 -0.8603 5.7288 5.7288 7.0928 7.0928 7.5573 7.5573 8.0096 8.0096 8.0151 8.0151 8.3852 8.3852 10.6795 10.6795 11.2835 11.2835 11.2892 11.2892 12.0764 12.0764 12.4829 12.4829 k = 0.0303 0.5000-0.0000 ( 4130 PWs) bands (ev): -31.2937 -31.2937 -31.2695 -31.2695 -31.2456 -31.2456 -14.1363 -14.1363 -14.1361 -14.1361 -12.6804 -12.6804 -12.6214 -12.6214 -12.5945 -12.5945 -12.3447 -12.3447 -12.3010 -12.3010 -12.2908 -12.2908 -12.1428 -12.1428 -12.1136 -12.1136 -12.0131 -12.0131 -11.1534 -11.1534 -11.1474 -11.1474 -11.1461 -11.1461 -2.7612 -2.7612 -0.8594 -0.8594 5.7295 5.7295 7.0807 7.0807 7.5592 7.5592 8.0055 8.0055 8.0124 8.0124 8.3811 8.3811 10.6881 10.6881 11.2929 11.2929 11.2947 11.2947 12.0777 12.0777 12.4721 12.4721 k = 0.0455 0.5000-0.0000 ( 4132 PWs) bands (ev): -31.2936 -31.2936 -31.2695 -31.2695 -31.2457 -31.2457 -14.1363 -14.1363 -14.1361 -14.1361 -12.6802 -12.6802 -12.6226 -12.6226 -12.5941 -12.5941 -12.3448 -12.3448 -12.3033 -12.3033 -12.2881 -12.2881 -12.1477 -12.1477 -12.1096 -12.1096 -12.0125 -12.0125 -11.1534 -11.1534 -11.1474 -11.1474 -11.1461 -11.1461 -2.7579 -2.7579 -0.8578 -0.8578 5.7307 5.7307 7.0610 7.0610 7.5617 7.5617 7.9979 7.9979 8.0089 8.0089 8.3744 8.3744 10.7021 10.7021 11.3001 11.3001 11.3123 11.3123 12.0799 12.0799 12.4551 12.4551 k = 0.0606 0.5000-0.0000 ( 4148 PWs) bands (ev): -31.2934 -31.2934 -31.2695 -31.2695 -31.2459 -31.2459 -14.1363 -14.1363 -14.1361 -14.1361 -12.6800 -12.6800 -12.6241 -12.6241 -12.5937 -12.5937 -12.3449 -12.3449 -12.3054 -12.3054 -12.2854 -12.2854 -12.1531 -12.1531 -12.1056 -12.1056 -12.0117 -12.0117 -11.1533 -11.1533 -11.1474 -11.1474 -11.1462 -11.1462 -2.7534 -2.7534 -0.8557 -0.8557 5.7322 5.7322 7.0346 7.0346 7.5645 7.5645 7.9870 7.9870 8.0046 8.0046 8.3653 8.3653 10.7211 10.7211 11.3095 11.3095 11.3372 11.3372 12.0828 12.0828 12.4335 12.4335 k = 0.0758 0.5000-0.0000 ( 4148 PWs) bands (ev): -31.2931 -31.2931 -31.2695 -31.2695 -31.2461 -31.2461 -14.1363 -14.1363 -14.1360 -14.1360 -12.6797 -12.6797 -12.6258 -12.6258 -12.5932 -12.5932 -12.3450 -12.3450 -12.3074 -12.3074 -12.2826 -12.2826 -12.1587 -12.1587 -12.1018 -12.1018 -12.0106 -12.0106 -11.1531 -11.1531 -11.1474 -11.1474 -11.1463 -11.1463 -2.7477 -2.7477 -0.8529 -0.8529 5.7341 5.7341 7.0023 7.0023 7.5669 7.5669 7.9735 7.9735 7.9994 7.9994 8.3541 8.3541 10.7446 10.7446 11.3216 11.3216 11.3689 11.3689 12.0865 12.0865 12.4086 12.4086 k = 0.0909 0.5000-0.0000 ( 4144 PWs) bands (ev): -31.2928 -31.2928 -31.2695 -31.2695 -31.2464 -31.2464 -14.1363 -14.1363 -14.1360 -14.1360 -12.6793 -12.6793 -12.6277 -12.6277 -12.5927 -12.5927 -12.3451 -12.3451 -12.3093 -12.3093 -12.2799 -12.2799 -12.1644 -12.1644 -12.0982 -12.0982 -12.0092 -12.0092 -11.1529 -11.1529 -11.1474 -11.1474 -11.1463 -11.1463 -2.7408 -2.7408 -0.8496 -0.8496 5.7360 5.7360 6.9649 6.9649 7.5682 7.5682 7.9579 7.9579 7.9933 7.9933 8.3412 8.3412 10.7720 10.7720 11.3362 11.3362 11.4073 11.4073 12.0908 12.0908 12.3816 12.3816 k = 0.1061 0.5000-0.0000 ( 4154 PWs) bands (ev): -31.2925 -31.2925 -31.2695 -31.2695 -31.2468 -31.2468 -14.1364 -14.1364 -14.1359 -14.1359 -12.6790 -12.6790 -12.6299 -12.6299 -12.5923 -12.5923 -12.3453 -12.3453 -12.3110 -12.3110 -12.2772 -12.2772 -12.1700 -12.1700 -12.0951 -12.0951 -12.0076 -12.0076 -11.1528 -11.1528 -11.1474 -11.1474 -11.1464 -11.1464 -2.7327 -2.7327 -0.8457 -0.8457 5.7380 5.7380 6.9234 6.9234 7.5681 7.5681 7.9409 7.9409 7.9863 7.9863 8.3269 8.3269 10.8029 10.8029 11.3532 11.3532 11.4518 11.4518 12.0958 12.0958 12.3535 12.3535 k = 0.1212 0.5000-0.0000 ( 4146 PWs) bands (ev): -31.2921 -31.2921 -31.2695 -31.2695 -31.2472 -31.2472 -14.1364 -14.1364 -14.1358 -14.1358 -12.6785 -12.6785 -12.6321 -12.6321 -12.5920 -12.5920 -12.3454 -12.3454 -12.3125 -12.3125 -12.2747 -12.2747 -12.1754 -12.1754 -12.0924 -12.0924 -12.0056 -12.0056 -11.1526 -11.1526 -11.1475 -11.1475 -11.1465 -11.1465 -2.7236 -2.7236 -0.8413 -0.8413 5.7398 5.7398 6.8784 6.8784 7.5660 7.5660 7.9230 7.9230 7.9785 7.9785 8.3115 8.3115 10.8368 10.8368 11.3724 11.3724 11.5021 11.5021 12.1012 12.1012 12.3248 12.3248 k = 0.1364 0.5000-0.0000 ( 4146 PWs) bands (ev): -31.2916 -31.2916 -31.2695 -31.2695 -31.2476 -31.2476 -14.1365 -14.1365 -14.1357 -14.1357 -12.6780 -12.6780 -12.6345 -12.6345 -12.5918 -12.5918 -12.3456 -12.3456 -12.3139 -12.3139 -12.2723 -12.2723 -12.1807 -12.1807 -12.0902 -12.0902 -12.0034 -12.0034 -11.1524 -11.1524 -11.1476 -11.1476 -11.1465 -11.1465 -2.7135 -2.7135 -0.8365 -0.8365 5.7413 5.7413 6.8309 6.8309 7.5616 7.5616 7.9051 7.9051 7.9699 7.9699 8.2953 8.2953 10.8732 10.8732 11.3937 11.3937 11.5575 11.5575 12.1069 12.1069 12.2962 12.2962 k = 0.1515 0.5000-0.0000 ( 4156 PWs) bands (ev): -31.2911 -31.2911 -31.2695 -31.2695 -31.2481 -31.2481 -14.1365 -14.1365 -14.1356 -14.1356 -12.6776 -12.6776 -12.6368 -12.6368 -12.5918 -12.5918 -12.3458 -12.3458 -12.3151 -12.3151 -12.2701 -12.2701 -12.1858 -12.1858 -12.0885 -12.0885 -12.0010 -12.0010 -11.1522 -11.1522 -11.1477 -11.1477 -11.1465 -11.1465 -2.7025 -2.7025 -0.8312 -0.8312 5.7423 5.7423 6.7813 6.7813 7.5546 7.5546 7.8878 7.8878 7.9607 7.9607 8.2786 8.2786 10.9120 10.9120 11.4169 11.4169 11.6173 11.6173 12.1127 12.1127 12.2681 12.2681 k = 0.1667 0.5000-0.0000 ( 4164 PWs) bands (ev): -31.2906 -31.2906 -31.2695 -31.2695 -31.2486 -31.2486 -14.1366 -14.1366 -14.1355 -14.1355 -12.6771 -12.6771 -12.6391 -12.6391 -12.5919 -12.5919 -12.3460 -12.3460 -12.3161 -12.3161 -12.2681 -12.2681 -12.1905 -12.1905 -12.0872 -12.0872 -11.9983 -11.9983 -11.1520 -11.1520 -11.1478 -11.1478 -11.1464 -11.1464 -2.6907 -2.6907 -0.8255 -0.8255 5.7424 5.7424 6.7305 6.7305 7.5449 7.5449 7.8717 7.8717 7.9510 7.9510 8.2618 8.2618 10.9530 10.9530 11.4418 11.4418 11.6806 11.6806 12.1185 12.1185 12.2408 12.2408 k = 0.1818 0.5000-0.0000 ( 4160 PWs) bands (ev): -31.2899 -31.2899 -31.2695 -31.2695 -31.2492 -31.2492 -14.1366 -14.1366 -14.1354 -14.1354 -12.6767 -12.6767 -12.6414 -12.6414 -12.5921 -12.5921 -12.3462 -12.3462 -12.3170 -12.3170 -12.2665 -12.2665 -12.1947 -12.1947 -12.0863 -12.0863 -11.9954 -11.9954 -11.1518 -11.1518 -11.1479 -11.1479 -11.1464 -11.1464 -2.6782 -2.6782 -0.8195 -0.8195 5.7416 5.7416 6.6791 6.6791 7.5326 7.5326 7.8573 7.8573 7.9408 7.9408 8.2450 8.2450 10.9960 10.9960 11.4683 11.4683 11.7465 11.7465 12.1240 12.1240 12.2147 12.2147 k = 0.1970 0.5000-0.0000 ( 4172 PWs) bands (ev): -31.2893 -31.2893 -31.2695 -31.2695 -31.2499 -31.2499 -14.1367 -14.1367 -14.1353 -14.1353 -12.6764 -12.6764 -12.6435 -12.6435 -12.5925 -12.5925 -12.3464 -12.3464 -12.3177 -12.3177 -12.2653 -12.2653 -12.1984 -12.1984 -12.0858 -12.0858 -11.9923 -11.9923 -11.1517 -11.1517 -11.1479 -11.1479 -11.1463 -11.1463 -2.6650 -2.6650 -0.8131 -0.8131 5.7396 5.7396 6.6275 6.6275 7.5179 7.5179 7.8450 7.8450 7.9303 7.9303 8.2284 8.2284 11.0410 11.0410 11.4960 11.4960 11.8143 11.8143 12.1288 12.1288 12.1902 12.1902 k = 0.2121 0.5000-0.0000 ( 4172 PWs) bands (ev): -31.2886 -31.2886 -31.2695 -31.2695 -31.2506 -31.2506 -14.1367 -14.1367 -14.1352 -14.1352 -12.6762 -12.6762 -12.6453 -12.6453 -12.5931 -12.5931 -12.3467 -12.3467 -12.3183 -12.3183 -12.2646 -12.2646 -12.2016 -12.2016 -12.0857 -12.0857 -11.9892 -11.9892 -11.1517 -11.1517 -11.1480 -11.1480 -11.1461 -11.1461 -2.6513 -2.6513 -0.8065 -0.8065 5.7362 5.7362 6.5763 6.5763 7.5013 7.5013 7.8348 7.8348 7.9196 7.9196 8.2121 8.2121 11.0880 11.0880 11.5249 11.5249 11.8828 11.8828 12.1314 12.1314 12.1687 12.1687 k = 0.2273 0.5000-0.0000 ( 4170 PWs) bands (ev): -31.2878 -31.2878 -31.2694 -31.2694 -31.2513 -31.2513 -14.1368 -14.1368 -14.1351 -14.1351 -12.6762 -12.6762 -12.6469 -12.6469 -12.5938 -12.5938 -12.3469 -12.3469 -12.3187 -12.3187 -12.2645 -12.2645 -12.2040 -12.2040 -12.0858 -12.0858 -11.9860 -11.9860 -11.1517 -11.1517 -11.1480 -11.1480 -11.1460 -11.1460 -2.6373 -2.6373 -0.7998 -0.7998 5.7313 5.7313 6.5260 6.5260 7.4832 7.4832 7.8267 7.8267 7.9088 7.9088 8.1965 8.1965 11.1368 11.1368 11.5547 11.5547 11.9512 11.9512 12.1268 12.1268 12.1550 12.1550 k = 0.2424 0.5000-0.0000 ( 4182 PWs) bands (ev): -31.2871 -31.2871 -31.2694 -31.2694 -31.2520 -31.2520 -14.1369 -14.1369 -14.1350 -14.1350 -12.6764 -12.6764 -12.6482 -12.6482 -12.5947 -12.5947 -12.3472 -12.3472 -12.3189 -12.3189 -12.2649 -12.2649 -12.2058 -12.2058 -12.0863 -12.0863 -11.9828 -11.9828 -11.1518 -11.1518 -11.1479 -11.1479 -11.1458 -11.1458 -2.6230 -2.6230 -0.7929 -0.7929 5.7247 5.7247 6.4770 6.4770 7.4642 7.4642 7.8206 7.8206 7.8979 7.8979 8.1815 8.1815 11.1875 11.1875 11.5851 11.5851 12.0182 12.0182 12.1120 12.1120 12.1518 12.1518 k = 0.2576 0.5000-0.0000 ( 4178 PWs) bands (ev): -31.2862 -31.2862 -31.2694 -31.2694 -31.2528 -31.2528 -14.1369 -14.1369 -14.1349 -14.1349 -12.6769 -12.6769 -12.6490 -12.6490 -12.5957 -12.5957 -12.3475 -12.3475 -12.3190 -12.3190 -12.2658 -12.2658 -12.2070 -12.2070 -12.0869 -12.0869 -11.9796 -11.9796 -11.1519 -11.1519 -11.1478 -11.1478 -11.1456 -11.1456 -2.6085 -2.6085 -0.7859 -0.7859 5.7165 5.7165 6.4297 6.4297 7.4451 7.4451 7.8163 7.8163 7.8871 7.8871 8.1673 8.1673 11.2401 11.2401 11.6159 11.6159 12.0765 12.0765 12.0996 12.0996 12.1498 12.1498 k = 0.2727 0.5000-0.0000 ( 4162 PWs) bands (ev): -31.2854 -31.2854 -31.2694 -31.2694 -31.2537 -31.2537 -14.1370 -14.1370 -14.1348 -14.1348 -12.6775 -12.6775 -12.6495 -12.6495 -12.5969 -12.5969 -12.3477 -12.3477 -12.3189 -12.3189 -12.2672 -12.2672 -12.2075 -12.2075 -12.0877 -12.0877 -11.9764 -11.9764 -11.1521 -11.1521 -11.1477 -11.1477 -11.1454 -11.1454 -2.5941 -2.5941 -0.7789 -0.7789 5.7065 5.7065 6.3844 6.3844 7.4262 7.4262 7.8136 7.8136 7.8765 7.8765 8.1540 8.1540 11.2945 11.2945 11.6468 11.6468 12.0686 12.0686 12.1189 12.1189 12.1521 12.1521 k = 0.2879 0.5000-0.0000 ( 4150 PWs) bands (ev): -31.2845 -31.2845 -31.2694 -31.2694 -31.2545 -31.2545 -14.1371 -14.1371 -14.1346 -14.1346 -12.6785 -12.6785 -12.6495 -12.6495 -12.5982 -12.5982 -12.3480 -12.3480 -12.3186 -12.3186 -12.2691 -12.2691 -12.2075 -12.2075 -12.0886 -12.0886 -11.9734 -11.9734 -11.1523 -11.1523 -11.1476 -11.1476 -11.1452 -11.1452 -2.5798 -2.5798 -0.7720 -0.7720 5.6950 5.6950 6.3413 6.3413 7.4081 7.4081 7.8122 7.8122 7.8662 7.8662 8.1417 8.1417 11.3506 11.3506 11.6777 11.6777 12.0315 12.0315 12.0699 12.0699 12.1676 12.1676 k = 0.3030 0.5000-0.0000 ( 4142 PWs) bands (ev): -31.2835 -31.2835 -31.2694 -31.2694 -31.2554 -31.2554 -14.1371 -14.1371 -14.1345 -14.1345 -12.6796 -12.6796 -12.6491 -12.6491 -12.5996 -12.5996 -12.3482 -12.3482 -12.3182 -12.3182 -12.2712 -12.2712 -12.2071 -12.2071 -12.0896 -12.0896 -11.9704 -11.9704 -11.1525 -11.1525 -11.1474 -11.1474 -11.1450 -11.1450 -2.5657 -2.5657 -0.7652 -0.7652 5.6820 5.6820 6.3007 6.3007 7.3911 7.3911 7.8119 7.8119 7.8563 7.8563 8.1305 8.1305 11.4084 11.4084 11.7082 11.7082 11.9612 11.9612 12.0465 12.0465 12.1679 12.1679 k = 0.3182 0.5000-0.0000 ( 4140 PWs) bands (ev): -31.2826 -31.2826 -31.2693 -31.2693 -31.2564 -31.2564 -14.1372 -14.1372 -14.1344 -14.1344 -12.6809 -12.6809 -12.6485 -12.6485 -12.6012 -12.6012 -12.3485 -12.3485 -12.3177 -12.3177 -12.2736 -12.2736 -12.2064 -12.2064 -12.0907 -12.0907 -11.9677 -11.9677 -11.1528 -11.1528 -11.1473 -11.1473 -11.1447 -11.1447 -2.5520 -2.5520 -0.7586 -0.7586 5.6679 5.6679 6.2627 6.2627 7.3754 7.3754 7.8124 7.8124 7.8469 7.8469 8.1204 8.1204 11.4677 11.4677 11.7379 11.7379 11.8858 11.8858 12.0302 12.0302 12.1684 12.1684 k = 0.3333 0.5000-0.0000 ( 4152 PWs) bands (ev): -31.2816 -31.2816 -31.2693 -31.2693 -31.2574 -31.2574 -14.1372 -14.1372 -14.1343 -14.1343 -12.6823 -12.6823 -12.6476 -12.6476 -12.6029 -12.6029 -12.3489 -12.3489 -12.3171 -12.3171 -12.2761 -12.2761 -12.2056 -12.2056 -12.0919 -12.0919 -11.9651 -11.9651 -11.1530 -11.1530 -11.1472 -11.1472 -11.1444 -11.1444 -2.5388 -2.5388 -0.7522 -0.7522 5.6529 5.6529 6.2274 6.2274 7.3611 7.3611 7.8134 7.8134 7.8383 7.8383 8.1116 8.1116 11.5284 11.5284 11.7665 11.7665 11.8122 11.8122 12.0161 12.0161 12.1685 12.1685 k = 0.3485 0.5000-0.0000 ( 4152 PWs) bands (ev): -31.2805 -31.2805 -31.2693 -31.2693 -31.2584 -31.2584 -14.1373 -14.1373 -14.1342 -14.1342 -12.6837 -12.6837 -12.6464 -12.6464 -12.6047 -12.6047 -12.3492 -12.3492 -12.3163 -12.3163 -12.2787 -12.2787 -12.2046 -12.2046 -12.0930 -12.0930 -11.9627 -11.9627 -11.1533 -11.1533 -11.1471 -11.1471 -11.1442 -11.1442 -2.5263 -2.5263 -0.7462 -0.7462 5.6374 5.6374 6.1949 6.1949 7.3484 7.3484 7.8143 7.8143 7.8310 7.8310 8.1039 8.1039 11.5903 11.5903 11.7408 11.7408 11.7950 11.7950 12.0037 12.0037 12.1682 12.1682 k = 0.3636 0.5000-0.0000 ( 4156 PWs) bands (ev): -31.2795 -31.2795 -31.2693 -31.2693 -31.2594 -31.2594 -14.1374 -14.1374 -14.1341 -14.1341 -12.6851 -12.6851 -12.6451 -12.6451 -12.6066 -12.6066 -12.3495 -12.3495 -12.3154 -12.3154 -12.2812 -12.2812 -12.2036 -12.2036 -12.0942 -12.0942 -11.9605 -11.9605 -11.1535 -11.1535 -11.1470 -11.1470 -11.1439 -11.1439 -2.5146 -2.5146 -0.7405 -0.7405 5.6219 5.6219 6.1653 6.1653 7.3372 7.3372 7.8134 7.8134 7.8264 7.8264 8.0975 8.0975 11.6532 11.6532 11.6745 11.6745 11.8209 11.8209 11.9926 11.9926 12.1675 12.1675 k = 0.3788 0.5000-0.0000 ( 4152 PWs) bands (ev): -31.2784 -31.2784 -31.2693 -31.2693 -31.2604 -31.2604 -14.1374 -14.1374 -14.1340 -14.1340 -12.6864 -12.6864 -12.6436 -12.6436 -12.6086 -12.6086 -12.3498 -12.3498 -12.3144 -12.3144 -12.2838 -12.2838 -12.2025 -12.2025 -12.0952 -12.0952 -11.9584 -11.9584 -11.1537 -11.1537 -11.1469 -11.1469 -11.1437 -11.1437 -2.5037 -2.5037 -0.7353 -0.7353 5.6067 5.6067 6.1386 6.1386 7.3275 7.3275 7.8094 7.8094 7.8258 7.8258 8.0923 8.0923 11.6128 11.6128 11.7170 11.7170 11.8453 11.8453 11.9828 11.9828 12.1664 12.1664 k = 0.3939 0.5000-0.0000 ( 4152 PWs) bands (ev): -31.2774 -31.2774 -31.2693 -31.2693 -31.2615 -31.2615 -14.1374 -14.1374 -14.1340 -14.1340 -12.6876 -12.6876 -12.6419 -12.6419 -12.6106 -12.6106 -12.3501 -12.3501 -12.3133 -12.3133 -12.2862 -12.2862 -12.2015 -12.2015 -12.0963 -12.0963 -11.9566 -11.9566 -11.1539 -11.1539 -11.1468 -11.1468 -11.1435 -11.1435 -2.4939 -2.4939 -0.7305 -0.7305 5.5922 5.5922 6.1149 6.1149 7.3193 7.3193 7.8041 7.8041 7.8272 7.8272 8.0882 8.0882 11.5567 11.5567 11.7810 11.7810 11.8678 11.8678 11.9743 11.9743 12.1651 12.1651 k = 0.4091 0.5000-0.0000 ( 4156 PWs) bands (ev): -31.2762 -31.2762 -31.2693 -31.2693 -31.2626 -31.2626 -14.1375 -14.1375 -14.1339 -14.1339 -12.6888 -12.6888 -12.6402 -12.6402 -12.6126 -12.6126 -12.3503 -12.3503 -12.3121 -12.3121 -12.2886 -12.2886 -12.2006 -12.2006 -12.0972 -12.0972 -11.9550 -11.9550 -11.1541 -11.1541 -11.1467 -11.1467 -11.1433 -11.1433 -2.4851 -2.4851 -0.7263 -0.7263 5.5788 5.5788 6.0942 6.0942 7.3124 7.3124 7.7989 7.7989 7.8292 7.8292 8.0851 8.0851 11.5067 11.5067 11.8445 11.8445 11.8883 11.8883 11.9672 11.9672 12.1636 12.1636 k = 0.4242 0.5000-0.0000 ( 4152 PWs) bands (ev): -31.2751 -31.2751 -31.2693 -31.2693 -31.2637 -31.2637 -14.1375 -14.1375 -14.1338 -14.1338 -12.6897 -12.6897 -12.6385 -12.6385 -12.6146 -12.6146 -12.3506 -12.3506 -12.3108 -12.3108 -12.2909 -12.2909 -12.1998 -12.1998 -12.0980 -12.0980 -11.9537 -11.9537 -11.1543 -11.1543 -11.1467 -11.1467 -11.1431 -11.1431 -2.4775 -2.4775 -0.7226 -0.7226 5.5669 5.5669 6.0766 6.0766 7.3067 7.3067 7.7942 7.7942 7.8312 7.8312 8.0830 8.0830 11.4634 11.4634 11.8988 11.8988 11.9147 11.9147 11.9617 11.9617 12.1621 12.1621 k = 0.4394 0.5000-0.0000 ( 4156 PWs) bands (ev): -31.2740 -31.2740 -31.2693 -31.2693 -31.2648 -31.2648 -14.1375 -14.1375 -14.1338 -14.1338 -12.6905 -12.6905 -12.6367 -12.6367 -12.6167 -12.6167 -12.3508 -12.3508 -12.3095 -12.3095 -12.2930 -12.2930 -12.1991 -12.1991 -12.0987 -12.0987 -11.9526 -11.9526 -11.1544 -11.1544 -11.1466 -11.1466 -11.1429 -11.1429 -2.4712 -2.4712 -0.7195 -0.7195 5.5567 5.5567 6.0621 6.0621 7.3022 7.3022 7.7903 7.7903 7.8330 7.8330 8.0815 8.0815 11.4273 11.4273 11.9173 11.9173 11.9542 11.9542 11.9761 11.9761 12.1607 12.1607 k = 0.4545 0.5000-0.0000 ( 4152 PWs) bands (ev): -31.2729 -31.2729 -31.2693 -31.2693 -31.2660 -31.2660 -14.1376 -14.1376 -14.1338 -14.1338 -12.6912 -12.6912 -12.6349 -12.6349 -12.6186 -12.6186 -12.3509 -12.3509 -12.3081 -12.3081 -12.2950 -12.2950 -12.1985 -12.1985 -12.0992 -12.0992 -11.9517 -11.9517 -11.1545 -11.1545 -11.1466 -11.1466 -11.1428 -11.1428 -2.4663 -2.4663 -0.7171 -0.7171 5.5485 5.5485 6.0507 6.0507 7.2988 7.2988 7.7872 7.7872 7.8344 7.8344 8.0807 8.0807 11.3987 11.3987 11.9286 11.9286 11.9525 11.9525 12.0347 12.0347 12.1595 12.1595 k = 0.4697 0.5000-0.0000 ( 4152 PWs) bands (ev): -31.2717 -31.2717 -31.2693 -31.2693 -31.2671 -31.2671 -14.1376 -14.1376 -14.1337 -14.1337 -12.6916 -12.6916 -12.6333 -12.6333 -12.6203 -12.6203 -12.3511 -12.3511 -12.3068 -12.3068 -12.2967 -12.2967 -12.1981 -12.1981 -12.0996 -12.0996 -11.9511 -11.9511 -11.1546 -11.1546 -11.1466 -11.1466 -11.1427 -11.1427 -2.4627 -2.4627 -0.7154 -0.7154 5.5425 5.5425 6.0426 6.0426 7.2964 7.2964 7.7849 7.7849 7.8355 7.8355 8.0802 8.0802 11.3781 11.3781 11.9358 11.9358 11.9514 11.9514 12.0906 12.0906 12.1586 12.1586 k = 0.4848 0.5000-0.0000 ( 4148 PWs) bands (ev): -31.2706 -31.2706 -31.2693 -31.2693 -31.2682 -31.2682 -14.1376 -14.1376 -14.1337 -14.1337 -12.6919 -12.6919 -12.6321 -12.6321 -12.6216 -12.6216 -12.3511 -12.3511 -12.3058 -12.3058 -12.2980 -12.2980 -12.1979 -12.1979 -12.0999 -12.0999 -11.9507 -11.9507 -11.1546 -11.1546 -11.1466 -11.1466 -11.1427 -11.1427 -2.4605 -2.4605 -0.7143 -0.7143 5.5389 5.5389 6.0377 6.0377 7.2950 7.2950 7.7836 7.7836 7.8361 7.8361 8.0800 8.0800 11.3656 11.3656 11.9389 11.9389 11.9518 11.9518 12.1366 12.1366 12.1582 12.1582 k = 0.5000 0.5000-0.0000 ( 4116 PWs) bands (ev): -31.2695 -31.2695 -31.2692 -31.2692 -31.2692 -31.2692 -14.1376 -14.1376 -14.1337 -14.1337 -12.6920 -12.6920 -12.6316 -12.6316 -12.6220 -12.6220 -12.3511 -12.3511 -12.3053 -12.3053 -12.2985 -12.2985 -12.1977 -12.1977 -12.0999 -12.0999 -11.9505 -11.9505 -11.1546 -11.1546 -11.1465 -11.1465 -11.1427 -11.1427 -2.4598 -2.4598 -0.7140 -0.7140 5.5377 5.5377 6.0361 6.0361 7.2946 7.2946 7.7832 7.7832 7.8364 7.8364 8.0799 8.0799 11.3614 11.3614 11.9397 11.9397 11.9524 11.9524 12.1552 12.1552 12.1605 12.1605 k = 0.5000 0.5000-0.0000 ( 4116 PWs) bands (ev): -31.2695 -31.2695 -31.2692 -31.2692 -31.2692 -31.2692 -14.1376 -14.1376 -14.1337 -14.1337 -12.6920 -12.6920 -12.6316 -12.6316 -12.6220 -12.6220 -12.3511 -12.3511 -12.3053 -12.3053 -12.2985 -12.2985 -12.1977 -12.1977 -12.0999 -12.0999 -11.9505 -11.9505 -11.1546 -11.1546 -11.1465 -11.1465 -11.1427 -11.1427 -2.4598 -2.4598 -0.7140 -0.7140 5.5377 5.5377 6.0361 6.0361 7.2946 7.2946 7.7832 7.7832 7.8364 7.8364 8.0799 8.0799 11.3614 11.3614 11.9397 11.9397 11.9524 11.9524 12.1552 12.1552 12.1605 12.1605 k = 0.4891 0.4891-0.0000 ( 4144 PWs) bands (ev): -31.2706 -31.2706 -31.2692 -31.2692 -31.2682 -31.2682 -14.1376 -14.1376 -14.1337 -14.1337 -12.6919 -12.6919 -12.6321 -12.6321 -12.6215 -12.6215 -12.3511 -12.3511 -12.3058 -12.3058 -12.2980 -12.2980 -12.1978 -12.1978 -12.0998 -12.0998 -11.9507 -11.9507 -11.1546 -11.1546 -11.1466 -11.1466 -11.1427 -11.1427 -2.4605 -2.4605 -0.7143 -0.7143 5.5389 5.5389 6.0377 6.0377 7.2950 7.2950 7.7836 7.7836 7.8361 7.8361 8.0800 8.0800 11.3657 11.3657 11.9388 11.9388 11.9519 11.9519 12.1360 12.1360 12.1584 12.1584 k = 0.4783 0.4783-0.0000 ( 4144 PWs) bands (ev): -31.2718 -31.2718 -31.2692 -31.2692 -31.2671 -31.2671 -14.1376 -14.1376 -14.1337 -14.1337 -12.6916 -12.6916 -12.6334 -12.6334 -12.6202 -12.6202 -12.3510 -12.3510 -12.3069 -12.3069 -12.2967 -12.2967 -12.1981 -12.1981 -12.0996 -12.0996 -11.9511 -11.9511 -11.1546 -11.1546 -11.1466 -11.1466 -11.1427 -11.1427 -2.4628 -2.4628 -0.7154 -0.7154 5.5427 5.5427 6.0428 6.0428 7.2965 7.2965 7.7850 7.7850 7.8355 7.8355 8.0802 8.0802 11.3784 11.3784 11.9350 11.9350 11.9521 11.9521 12.0883 12.0883 12.1593 12.1593 k = 0.4674 0.4674-0.0000 ( 4144 PWs) bands (ev): -31.2730 -31.2730 -31.2690 -31.2690 -31.2660 -31.2660 -14.1376 -14.1376 -14.1338 -14.1338 -12.6911 -12.6911 -12.6350 -12.6350 -12.6184 -12.6184 -12.3509 -12.3509 -12.3082 -12.3082 -12.2949 -12.2949 -12.1985 -12.1985 -12.0992 -12.0992 -11.9517 -11.9517 -11.1545 -11.1545 -11.1466 -11.1466 -11.1428 -11.1428 -2.4665 -2.4665 -0.7172 -0.7172 5.5490 5.5490 6.0512 6.0512 7.2988 7.2988 7.7873 7.7873 7.8344 7.8344 8.0808 8.0808 11.3992 11.3992 11.9261 11.9261 11.9547 11.9547 12.0305 12.0305 12.1610 12.1610 k = 0.4565 0.4565-0.0000 ( 4152 PWs) bands (ev): -31.2743 -31.2743 -31.2688 -31.2688 -31.2650 -31.2650 -14.1375 -14.1375 -14.1338 -14.1338 -12.6905 -12.6905 -12.6369 -12.6369 -12.6165 -12.6165 -12.3507 -12.3507 -12.3096 -12.3096 -12.2929 -12.2929 -12.1991 -12.1991 -12.0986 -12.0986 -11.9526 -11.9526 -11.1544 -11.1544 -11.1466 -11.1466 -11.1430 -11.1430 -2.4717 -2.4717 -0.7198 -0.7198 5.5578 5.5578 6.0629 6.0629 7.3021 7.3021 7.7906 7.7906 7.8330 7.8330 8.0820 8.0820 11.4271 11.4271 11.9123 11.9123 11.9571 11.9571 11.9710 11.9710 12.1633 12.1633 k = 0.4457 0.4457-0.0000 ( 4156 PWs) bands (ev): -31.2756 -31.2756 -31.2686 -31.2686 -31.2639 -31.2639 -14.1375 -14.1375 -14.1338 -14.1338 -12.6897 -12.6897 -12.6388 -12.6388 -12.6144 -12.6144 -12.3505 -12.3505 -12.3110 -12.3110 -12.2907 -12.2907 -12.1999 -12.1999 -12.0979 -12.0979 -11.9537 -11.9537 -11.1543 -11.1543 -11.1467 -11.1467 -11.1431 -11.1431 -2.4783 -2.4783 -0.7230 -0.7230 5.5691 5.5691 6.0780 6.0780 7.3062 7.3062 7.7947 7.7947 7.8313 7.8313 8.0840 8.0840 11.4608 11.4608 11.8905 11.8905 11.9070 11.9070 11.9679 11.9679 12.1657 12.1657 k = 0.4348 0.4348-0.0000 ( 4156 PWs) bands (ev): -31.2769 -31.2769 -31.2683 -31.2683 -31.2629 -31.2629 -14.1375 -14.1375 -14.1339 -14.1339 -12.6887 -12.6887 -12.6407 -12.6407 -12.6121 -12.6121 -12.3502 -12.3502 -12.3123 -12.3123 -12.2884 -12.2884 -12.2007 -12.2007 -12.0970 -12.0970 -11.9550 -11.9550 -11.1541 -11.1541 -11.1467 -11.1467 -11.1433 -11.1433 -2.4863 -2.4863 -0.7270 -0.7270 5.5828 5.5828 6.0963 6.0963 7.3112 7.3112 7.7998 7.7998 7.8294 7.8294 8.0871 8.0871 11.4980 11.4980 11.8351 11.8351 11.8774 11.8774 11.9762 11.9762 12.1679 12.1679 k = 0.4239 0.4239-0.0000 ( 4160 PWs) bands (ev): -31.2782 -31.2782 -31.2680 -31.2680 -31.2620 -31.2620 -14.1374 -14.1374 -14.1340 -14.1340 -12.6876 -12.6876 -12.6427 -12.6427 -12.6099 -12.6099 -12.3499 -12.3499 -12.3136 -12.3136 -12.2860 -12.2860 -12.2017 -12.2017 -12.0961 -12.0961 -11.9565 -11.9565 -11.1540 -11.1540 -11.1468 -11.1468 -11.1435 -11.1435 -2.4957 -2.4957 -0.7316 -0.7316 5.5990 5.5990 6.1180 6.1180 7.3169 7.3169 7.8057 7.8057 7.8275 7.8275 8.0917 8.0917 11.5335 11.5335 11.7756 11.7756 11.8529 11.8529 11.9861 11.9861 12.1696 12.1696 k = 0.4130 0.4130-0.0000 ( 4164 PWs) bands (ev): -31.2796 -31.2796 -31.2676 -31.2676 -31.2610 -31.2610 -14.1374 -14.1374 -14.1340 -14.1340 -12.6865 -12.6865 -12.6447 -12.6447 -12.6076 -12.6076 -12.3495 -12.3495 -12.3148 -12.3148 -12.2835 -12.2835 -12.2027 -12.2027 -12.0949 -12.0949 -11.9582 -11.9582 -11.1538 -11.1538 -11.1468 -11.1468 -11.1438 -11.1438 -2.5065 -2.5065 -0.7370 -0.7370 5.6175 5.6175 6.1429 6.1429 7.3234 7.3234 7.8123 7.8123 7.8260 7.8260 8.0981 8.0981 11.5546 11.5546 11.7313 11.7313 11.8261 11.8261 11.9974 11.9974 12.1703 12.1703 k = 0.4022 0.4022-0.0000 ( 4164 PWs) bands (ev): -31.2810 -31.2810 -31.2671 -31.2671 -31.2601 -31.2601 -14.1373 -14.1373 -14.1341 -14.1341 -12.6852 -12.6852 -12.6467 -12.6467 -12.6053 -12.6053 -12.3491 -12.3491 -12.3159 -12.3159 -12.2810 -12.2810 -12.2038 -12.2038 -12.0937 -12.0937 -11.9600 -11.9600 -11.1537 -11.1537 -11.1469 -11.1469 -11.1441 -11.1441 -2.5185 -2.5185 -0.7430 -0.7430 5.6384 5.6384 6.1709 6.1709 7.3305 7.3305 7.8180 7.8180 7.8267 7.8267 8.1064 8.1064 11.5385 11.5385 11.7229 11.7229 11.7968 11.7968 12.0097 12.0097 12.1693 12.1693 k = 0.3913 0.3913-0.0000 ( 4156 PWs) bands (ev): -31.2823 -31.2823 -31.2666 -31.2666 -31.2593 -31.2593 -14.1373 -14.1373 -14.1341 -14.1341 -12.6838 -12.6838 -12.6486 -12.6486 -12.6030 -12.6030 -12.3486 -12.3486 -12.3170 -12.3170 -12.2784 -12.2784 -12.2049 -12.2049 -12.0923 -12.0923 -11.9619 -11.9619 -11.1536 -11.1536 -11.1470 -11.1470 -11.1444 -11.1444 -2.5317 -2.5317 -0.7497 -0.7497 5.6617 5.6617 6.2022 6.2022 7.3384 7.3384 7.8189 7.8189 7.8336 7.8336 8.1170 8.1170 11.4880 11.4880 11.7448 11.7448 11.7655 11.7655 12.0229 12.0229 12.1660 12.1660 k = 0.3804 0.3804-0.0000 ( 4164 PWs) bands (ev): -31.2837 -31.2837 -31.2661 -31.2661 -31.2584 -31.2584 -14.1372 -14.1372 -14.1342 -14.1342 -12.6824 -12.6824 -12.6505 -12.6505 -12.6008 -12.6008 -12.3480 -12.3480 -12.3180 -12.3180 -12.2758 -12.2758 -12.2060 -12.2060 -12.0908 -12.0908 -11.9639 -11.9639 -11.1535 -11.1535 -11.1470 -11.1470 -11.1447 -11.1447 -2.5461 -2.5461 -0.7570 -0.7570 5.6872 5.6872 6.2365 6.2365 7.3470 7.3470 7.8177 7.8177 7.8443 7.8443 8.1299 8.1299 11.4233 11.4233 11.7317 11.7317 11.7736 11.7736 12.0367 12.0367 12.1596 12.1596 k = 0.3696 0.3696-0.0000 ( 4162 PWs) bands (ev): -31.2852 -31.2852 -31.2655 -31.2655 -31.2576 -31.2576 -14.1372 -14.1372 -14.1343 -14.1343 -12.6810 -12.6810 -12.6524 -12.6524 -12.5986 -12.5986 -12.3474 -12.3474 -12.3189 -12.3189 -12.2733 -12.2733 -12.2070 -12.2070 -12.0893 -12.0893 -11.9659 -11.9659 -11.1534 -11.1534 -11.1471 -11.1471 -11.1451 -11.1451 -2.5616 -2.5616 -0.7650 -0.7650 5.7149 5.7149 6.2739 6.2739 7.3564 7.3564 7.8163 7.8163 7.8571 7.8571 8.1452 8.1452 11.3536 11.3536 11.6966 11.6966 11.7956 11.7956 12.0505 12.0505 12.1498 12.1498 k = 0.3587 0.3587-0.0000 ( 4156 PWs) bands (ev): -31.2866 -31.2866 -31.2649 -31.2649 -31.2569 -31.2569 -14.1371 -14.1371 -14.1343 -14.1343 -12.6796 -12.6796 -12.6542 -12.6542 -12.5964 -12.5964 -12.3467 -12.3467 -12.3198 -12.3198 -12.2708 -12.2708 -12.2078 -12.2078 -12.0876 -12.0876 -11.9680 -11.9680 -11.1533 -11.1533 -11.1472 -11.1472 -11.1455 -11.1455 -2.5781 -2.5781 -0.7736 -0.7736 5.7448 5.7448 6.3142 6.3142 7.3667 7.3667 7.8151 7.8151 7.8719 7.8719 8.1629 8.1629 11.2817 11.2817 11.6601 11.6601 11.8057 11.8057 12.0635 12.0635 12.1363 12.1363 k = 0.3478 0.3478-0.0000 ( 4156 PWs) bands (ev): -31.2880 -31.2880 -31.2643 -31.2643 -31.2561 -31.2561 -14.1370 -14.1370 -14.1344 -14.1344 -12.6782 -12.6782 -12.6560 -12.6560 -12.5943 -12.5943 -12.3460 -12.3460 -12.3205 -12.3205 -12.2685 -12.2685 -12.2085 -12.2085 -12.0858 -12.0858 -11.9700 -11.9700 -11.1533 -11.1533 -11.1473 -11.1473 -11.1458 -11.1458 -2.5956 -2.5956 -0.7827 -0.7827 5.7768 5.7768 6.3576 6.3576 7.3780 7.3780 7.8139 7.8139 7.8889 7.8889 8.1832 8.1832 11.2090 11.2090 11.6225 11.6225 11.8017 11.8017 12.0731 12.0731 12.1203 12.1203 k = 0.3370 0.3370-0.0000 ( 4160 PWs) bands (ev): -31.2894 -31.2894 -31.2636 -31.2636 -31.2554 -31.2554 -14.1370 -14.1370 -14.1344 -14.1344 -12.6769 -12.6769 -12.6578 -12.6578 -12.5923 -12.5923 -12.3452 -12.3452 -12.3212 -12.3212 -12.2664 -12.2664 -12.2090 -12.2090 -12.0840 -12.0840 -11.9720 -11.9720 -11.1533 -11.1533 -11.1474 -11.1474 -11.1462 -11.1462 -2.6139 -2.6139 -0.7925 -0.7925 5.8109 5.8109 6.4037 6.4037 7.3905 7.3905 7.8130 7.8130 7.9081 7.9081 8.2059 8.2059 11.1362 11.1362 11.5840 11.5840 11.7844 11.7844 12.0690 12.0690 12.1111 12.1111 k = 0.3261 0.3261-0.0000 ( 4160 PWs) bands (ev): -31.2909 -31.2909 -31.2629 -31.2629 -31.2547 -31.2547 -14.1369 -14.1369 -14.1345 -14.1345 -12.6756 -12.6756 -12.6595 -12.6595 -12.5904 -12.5904 -12.3444 -12.3444 -12.3219 -12.3219 -12.2646 -12.2646 -12.2090 -12.2090 -12.0820 -12.0820 -11.9740 -11.9740 -11.1534 -11.1534 -11.1476 -11.1476 -11.1465 -11.1465 -2.6329 -2.6329 -0.8027 -0.8027 5.8470 5.8470 6.4527 6.4527 7.4043 7.4043 7.8121 7.8121 7.9296 7.9296 8.2309 8.2309 11.0634 11.0634 11.5448 11.5448 11.7556 11.7556 12.0434 12.0434 12.1156 12.1156 k = 0.3152 0.3152-0.0000 ( 4152 PWs) bands (ev): -31.2923 -31.2923 -31.2622 -31.2622 -31.2541 -31.2541 -14.1368 -14.1368 -14.1345 -14.1345 -12.6745 -12.6745 -12.6611 -12.6611 -12.5886 -12.5886 -12.3436 -12.3436 -12.3225 -12.3225 -12.2632 -12.2632 -12.2087 -12.2087 -12.0799 -12.0799 -11.9758 -11.9758 -11.1535 -11.1535 -11.1480 -11.1480 -11.1468 -11.1468 -2.6527 -2.6527 -0.8135 -0.8135 5.8850 5.8850 6.5043 6.5043 7.4197 7.4197 7.8115 7.8115 7.9535 7.9535 8.2583 8.2583 10.9912 10.9912 11.5052 11.5052 11.7179 11.7179 12.0053 12.0053 12.1235 12.1235 k = 0.3043 0.3043-0.0000 ( 4160 PWs) bands (ev): -31.2937 -31.2937 -31.2614 -31.2614 -31.2534 -31.2534 -14.1367 -14.1367 -14.1345 -14.1345 -12.6735 -12.6735 -12.6628 -12.6628 -12.5870 -12.5870 -12.3427 -12.3427 -12.3230 -12.3230 -12.2621 -12.2621 -12.2079 -12.2079 -12.0777 -12.0777 -11.9775 -11.9775 -11.1537 -11.1537 -11.1483 -11.1483 -11.1470 -11.1470 -2.6730 -2.6730 -0.8247 -0.8247 5.9249 5.9249 6.5585 6.5585 7.4369 7.4369 7.8110 7.8110 7.9797 7.9797 8.2880 8.2880 10.9195 10.9195 11.4654 11.4654 11.6736 11.6736 11.9587 11.9587 12.1301 12.1301 k = 0.2935 0.2935-0.0000 ( 4154 PWs) bands (ev): -31.2951 -31.2951 -31.2607 -31.2607 -31.2529 -31.2529 -14.1366 -14.1366 -14.1345 -14.1345 -12.6725 -12.6725 -12.6644 -12.6644 -12.5854 -12.5854 -12.3419 -12.3419 -12.3235 -12.3235 -12.2614 -12.2614 -12.2067 -12.2067 -12.0754 -12.0754 -11.9791 -11.9791 -11.1538 -11.1538 -11.1488 -11.1488 -11.1472 -11.1472 -2.6939 -2.6939 -0.8363 -0.8363 5.9665 5.9665 6.6152 6.6152 7.4560 7.4560 7.8107 7.8107 8.0083 8.0083 8.3198 8.3198 10.8486 10.8486 11.4256 11.4256 11.6243 11.6243 11.9046 11.9046 12.1335 12.1335 k = 0.2826 0.2826-0.0000 ( 4158 PWs) bands (ev): -31.2965 -31.2965 -31.2599 -31.2599 -31.2523 -31.2523 -14.1365 -14.1365 -14.1345 -14.1345 -12.6718 -12.6718 -12.6659 -12.6659 -12.5841 -12.5841 -12.3410 -12.3410 -12.3239 -12.3239 -12.2612 -12.2612 -12.2051 -12.2051 -12.0729 -12.0729 -11.9806 -11.9806 -11.1540 -11.1540 -11.1493 -11.1493 -11.1474 -11.1474 -2.7151 -2.7151 -0.8483 -0.8483 6.0098 6.0098 6.6742 6.6742 7.4774 7.4774 7.8106 7.8106 8.0391 8.0391 8.3537 8.3537 10.7786 10.7786 11.3859 11.3859 11.5716 11.5716 11.8434 11.8434 12.1324 12.1324 k = 0.2717 0.2717-0.0000 ( 4148 PWs) bands (ev): -31.2979 -31.2979 -31.2591 -31.2591 -31.2517 -31.2517 -14.1364 -14.1364 -14.1344 -14.1344 -12.6711 -12.6711 -12.6674 -12.6674 -12.5828 -12.5828 -12.3401 -12.3401 -12.3243 -12.3243 -12.2612 -12.2612 -12.2030 -12.2030 -12.0702 -12.0702 -11.9819 -11.9819 -11.1543 -11.1543 -11.1498 -11.1498 -11.1476 -11.1476 -2.7366 -2.7366 -0.8606 -0.8606 6.0547 6.0547 6.7353 6.7353 7.5012 7.5012 7.8107 7.8107 8.0720 8.0720 8.3896 8.3896 10.7097 10.7097 11.3465 11.3465 11.5166 11.5166 11.7757 11.7757 12.1257 12.1257 k = 0.2609 0.2609-0.0000 ( 4148 PWs) bands (ev): -31.2992 -31.2992 -31.2583 -31.2583 -31.2512 -31.2512 -14.1363 -14.1363 -14.1344 -14.1344 -12.6707 -12.6707 -12.6688 -12.6688 -12.5818 -12.5818 -12.3393 -12.3393 -12.3246 -12.3246 -12.2616 -12.2616 -12.2007 -12.2007 -12.0673 -12.0673 -11.9830 -11.9830 -11.1545 -11.1545 -11.1503 -11.1503 -11.1479 -11.1479 -2.7583 -2.7583 -0.8732 -0.8732 6.1010 6.1010 6.7983 6.7983 7.5277 7.5277 7.8111 7.8111 8.1071 8.1071 8.4274 8.4274 10.6420 10.6420 11.3076 11.3076 11.4599 11.4600 11.7022 11.7022 12.1122 12.1122 k = 0.2500 0.2500-0.0000 ( 4140 PWs) bands (ev): -31.3006 -31.3006 -31.2575 -31.2575 -31.2507 -31.2507 -14.1362 -14.1362 -14.1343 -14.1343 -12.6705 -12.6705 -12.6699 -12.6699 -12.5809 -12.5809 -12.3385 -12.3385 -12.3249 -12.3249 -12.2621 -12.2621 -12.1982 -12.1982 -12.0642 -12.0642 -11.9840 -11.9840 -11.1548 -11.1548 -11.1509 -11.1509 -11.1482 -11.1482 -2.7801 -2.7801 -0.8860 -0.8860 6.1486 6.1486 6.8629 6.8629 7.5571 7.5571 7.8117 7.8117 8.1440 8.1440 8.4670 8.4670 10.5755 10.5755 11.2693 11.2693 11.4024 11.4024 11.6234 11.6234 12.0909 12.0909 k = 0.2391 0.2391-0.0000 ( 4148 PWs) bands (ev): -31.3019 -31.3019 -31.2567 -31.2567 -31.2503 -31.2503 -14.1360 -14.1360 -14.1343 -14.1343 -12.6716 -12.6716 -12.6701 -12.6701 -12.5801 -12.5801 -12.3377 -12.3377 -12.3252 -12.3252 -12.2628 -12.2628 -12.1956 -12.1956 -12.0608 -12.0608 -11.9848 -11.9848 -11.1551 -11.1551 -11.1514 -11.1514 -11.1486 -11.1486 -2.8019 -2.8019 -0.8989 -0.8989 6.1974 6.1974 6.9289 6.9289 7.5897 7.5897 7.8126 7.8126 8.1829 8.1829 8.5083 8.5083 10.5105 10.5105 11.2317 11.2317 11.3444 11.3444 11.5402 11.5402 12.0611 12.0611 k = 0.2283 0.2283-0.0000 ( 4132 PWs) bands (ev): -31.3031 -31.3031 -31.2559 -31.2559 -31.2498 -31.2498 -14.1359 -14.1359 -14.1342 -14.1342 -12.6727 -12.6727 -12.6702 -12.6702 -12.5795 -12.5795 -12.3370 -12.3370 -12.3254 -12.3254 -12.2635 -12.2635 -12.1929 -12.1929 -12.0572 -12.0572 -11.9855 -11.9855 -11.1554 -11.1554 -11.1520 -11.1520 -11.1490 -11.1490 -2.8235 -2.8235 -0.9119 -0.9119 6.2471 6.2471 6.9958 6.9958 7.6257 7.6257 7.8139 7.8139 8.2235 8.2235 8.5512 8.5512 10.4470 10.4470 11.1951 11.1951 11.2861 11.2861 11.4535 11.4535 12.0227 12.0227 k = 0.2174 0.2174-0.0000 ( 4140 PWs) bands (ev): -31.3044 -31.3044 -31.2551 -31.2551 -31.2494 -31.2494 -14.1358 -14.1358 -14.1341 -14.1341 -12.6739 -12.6739 -12.6704 -12.6704 -12.5790 -12.5790 -12.3365 -12.3365 -12.3257 -12.3257 -12.2643 -12.2643 -12.1904 -12.1904 -12.0534 -12.0534 -11.9860 -11.9860 -11.1557 -11.1557 -11.1525 -11.1525 -11.1494 -11.1494 -2.8450 -2.8450 -0.9249 -0.9249 6.2976 6.2976 7.0632 7.0632 7.6654 7.6654 7.8155 7.8155 8.2658 8.2658 8.5957 8.5957 10.3851 10.3851 11.1594 11.1594 11.2274 11.2274 11.3646 11.3646 11.9757 11.9757 k = 0.2065 0.2065-0.0000 ( 4142 PWs) bands (ev): -31.3056 -31.3056 -31.2543 -31.2543 -31.2490 -31.2490 -14.1356 -14.1356 -14.1341 -14.1341 -12.6751 -12.6751 -12.6707 -12.6707 -12.5787 -12.5787 -12.3359 -12.3359 -12.3260 -12.3260 -12.2650 -12.2650 -12.1879 -12.1879 -12.0494 -12.0494 -11.9864 -11.9864 -11.1560 -11.1560 -11.1530 -11.1530 -11.1499 -11.1499 -2.8661 -2.8661 -0.9379 -0.9379 6.3487 6.3487 7.1305 7.1305 7.7091 7.7091 7.8177 7.8177 8.3097 8.3097 8.6417 8.6417 10.3249 10.3249 11.1247 11.1247 11.1675 11.1675 11.2751 11.2751 11.9208 11.9208 k = 0.1957 0.1957-0.0000 ( 4146 PWs) bands (ev): -31.3068 -31.3068 -31.2535 -31.2535 -31.2487 -31.2487 -14.1354 -14.1354 -14.1340 -14.1340 -12.6762 -12.6762 -12.6713 -12.6713 -12.5784 -12.5784 -12.3354 -12.3354 -12.3264 -12.3264 -12.2656 -12.2656 -12.1855 -12.1855 -12.0451 -12.0451 -11.9867 -11.9867 -11.1564 -11.1564 -11.1535 -11.1535 -11.1504 -11.1504 -2.8868 -2.8868 -0.9508 -0.9508 6.4001 6.4001 7.1971 7.1971 7.7569 7.7569 7.8207 7.8207 8.3551 8.3551 8.6890 8.6890 10.2666 10.2666 11.0912 11.0912 11.1035 11.1035 11.1890 11.1890 11.8590 11.8590 k = 0.1848 0.1848-0.0000 ( 4144 PWs) bands (ev): -31.3079 -31.3079 -31.2528 -31.2528 -31.2483 -31.2483 -14.1353 -14.1353 -14.1339 -14.1339 -12.6772 -12.6772 -12.6719 -12.6719 -12.5783 -12.5783 -12.3350 -12.3350 -12.3267 -12.3267 -12.2661 -12.2661 -12.1833 -12.1833 -12.0407 -12.0407 -11.9868 -11.9868 -11.1567 -11.1567 -11.1540 -11.1540 -11.1510 -11.1510 -2.9070 -2.9070 -0.9635 -0.9635 6.4515 6.4515 7.2625 7.2625 7.8057 7.8057 7.8278 7.8278 8.4020 8.4020 8.7376 8.7376 10.2103 10.2103 11.0300 11.0300 11.0586 11.0586 11.1127 11.1127 11.7914 11.7914 k = 0.1739 0.1739-0.0000 ( 4144 PWs) bands (ev): -31.3090 -31.3090 -31.2521 -31.2521 -31.2480 -31.2480 -14.1351 -14.1351 -14.1338 -14.1338 -12.6781 -12.6781 -12.6726 -12.6726 -12.5782 -12.5782 -12.3346 -12.3346 -12.3271 -12.3271 -12.2664 -12.2664 -12.1813 -12.1813 -12.0361 -12.0361 -11.9869 -11.9869 -11.1570 -11.1570 -11.1545 -11.1545 -11.1516 -11.1516 -2.9267 -2.9267 -0.9759 -0.9759 6.5027 6.5027 7.3260 7.3260 7.8231 7.8231 7.8716 7.8716 8.4504 8.4504 8.7874 8.7874 10.1560 10.1560 10.9445 10.9445 11.0262 11.0262 11.0503 11.0503 11.7191 11.7191 k = 0.1630 0.1630-0.0000 ( 4140 PWs) bands (ev): -31.3101 -31.3101 -31.2514 -31.2514 -31.2477 -31.2477 -14.1349 -14.1349 -14.1337 -14.1337 -12.6790 -12.6790 -12.6735 -12.6735 -12.5782 -12.5782 -12.3343 -12.3343 -12.3275 -12.3275 -12.2667 -12.2667 -12.1795 -12.1795 -12.0314 -12.0314 -11.9869 -11.9869 -11.1574 -11.1574 -11.1550 -11.1550 -11.1522 -11.1522 -2.9456 -2.9456 -0.9879 -0.9879 6.5533 6.5533 7.3870 7.3870 7.8280 7.8280 7.9334 7.9334 8.5005 8.5005 8.8383 8.8383 10.1040 10.1040 10.8517 10.8517 10.9869 10.9869 11.0050 11.0050 11.6433 11.6433 k = 0.1522 0.1522-0.0000 ( 4130 PWs) bands (ev): -31.3110 -31.3110 -31.2507 -31.2507 -31.2475 -31.2475 -14.1347 -14.1347 -14.1336 -14.1336 -12.6799 -12.6799 -12.6744 -12.6744 -12.5782 -12.5782 -12.3340 -12.3340 -12.3279 -12.3279 -12.2668 -12.2668 -12.1778 -12.1778 -12.0266 -12.0266 -11.9868 -11.9868 -11.1577 -11.1577 -11.1554 -11.1554 -11.1528 -11.1528 -2.9637 -2.9637 -0.9996 -0.9996 6.6030 6.6030 7.4453 7.4453 7.8325 7.8325 8.0005 8.0005 8.5525 8.5525 8.8902 8.8902 10.0543 10.0543 10.7561 10.7561 10.9393 10.9393 10.9746 10.9746 11.5652 11.5652 k = 0.1413 0.1413-0.0000 ( 4126 PWs) bands (ev): -31.3120 -31.3120 -31.2500 -31.2500 -31.2472 -31.2472 -14.1345 -14.1345 -14.1336 -14.1336 -12.6806 -12.6806 -12.6754 -12.6754 -12.5783 -12.5783 -12.3337 -12.3337 -12.3284 -12.3284 -12.2667 -12.2667 -12.1764 -12.1764 -12.0219 -12.0219 -11.9866 -11.9866 -11.1581 -11.1581 -11.1558 -11.1558 -11.1534 -11.1534 -2.9810 -2.9810 -1.0108 -1.0108 6.6513 6.6513 7.5005 7.5005 7.8374 7.8374 8.0717 8.0717 8.6066 8.6066 8.9430 8.9430 10.0070 10.0070 10.6597 10.6597 10.8928 10.8928 10.9479 10.9479 11.4857 11.4857 k = 0.1304 0.1304-0.0000 ( 4138 PWs) bands (ev): -31.3128 -31.3128 -31.2494 -31.2494 -31.2470 -31.2470 -14.1343 -14.1343 -14.1335 -14.1335 -12.6814 -12.6814 -12.6766 -12.6766 -12.5784 -12.5784 -12.3336 -12.3336 -12.3289 -12.3289 -12.2667 -12.2667 -12.1752 -12.1752 -12.0172 -12.0172 -11.9865 -11.9865 -11.1584 -11.1584 -11.1562 -11.1562 -11.1540 -11.1540 -2.9973 -2.9973 -1.0215 -1.0215 6.6979 6.6979 7.5527 7.5527 7.8426 7.8426 8.1457 8.1457 8.6633 8.6633 8.9966 8.9966 9.9622 9.9622 10.5638 10.5638 10.8485 10.8485 10.9233 10.9233 11.4058 11.4058 k = 0.1196 0.1196-0.0000 ( 4138 PWs) bands (ev): -31.3137 -31.3137 -31.2489 -31.2489 -31.2468 -31.2468 -14.1342 -14.1342 -14.1334 -14.1334 -12.6820 -12.6820 -12.6777 -12.6777 -12.5786 -12.5786 -12.3334 -12.3334 -12.3293 -12.3293 -12.2665 -12.2665 -12.1741 -12.1741 -12.0127 -12.0127 -11.9863 -11.9863 -11.1588 -11.1588 -11.1565 -11.1565 -11.1546 -11.1546 -3.0126 -3.0126 -1.0316 -1.0316 6.7425 6.7425 7.6017 7.6017 7.8481 7.8481 8.2211 8.2211 8.7235 8.7235 9.0509 9.0509 9.9202 9.9202 10.4692 10.4692 10.8062 10.8062 10.9006 10.9006 11.3263 11.3263 k = 0.1087 0.1087-0.0000 ( 4126 PWs) bands (ev): -31.3144 -31.3144 -31.2483 -31.2483 -31.2466 -31.2466 -14.1340 -14.1340 -14.1333 -14.1333 -12.6826 -12.6826 -12.6788 -12.6788 -12.5787 -12.5787 -12.3332 -12.3332 -12.3298 -12.3298 -12.2662 -12.2662 -12.1731 -12.1731 -12.0083 -12.0083 -11.9860 -11.9860 -11.1591 -11.1591 -11.1568 -11.1568 -11.1552 -11.1552 -3.0269 -3.0269 -1.0410 -1.0410 6.7846 6.7846 7.6477 7.6477 7.8540 7.8540 8.2962 8.2962 8.7880 8.7880 9.1058 9.1058 9.8810 9.8810 10.3765 10.3765 10.7655 10.7655 10.8798 10.8798 11.2482 11.2482 k = 0.0978 0.0978-0.0000 ( 4136 PWs) bands (ev): -31.3151 -31.3151 -31.2478 -31.2478 -31.2464 -31.2464 -14.1338 -14.1338 -14.1333 -14.1333 -12.6832 -12.6832 -12.6799 -12.6799 -12.5789 -12.5789 -12.3331 -12.3331 -12.3303 -12.3303 -12.2659 -12.2659 -12.1724 -12.1724 -12.0042 -12.0042 -11.9858 -11.9858 -11.1594 -11.1594 -11.1571 -11.1571 -11.1558 -11.1558 -3.0399 -3.0399 -1.0497 -1.0497 6.8238 6.8238 7.6905 7.6905 7.8601 7.8601 8.3689 8.3689 8.8578 8.8578 9.1610 9.1610 9.8447 9.8447 10.2863 10.2863 10.7258 10.7258 10.8607 10.8607 11.1724 11.1724 k = 0.0870 0.0870-0.0000 ( 4138 PWs) bands (ev): -31.3157 -31.3157 -31.2474 -31.2474 -31.2462 -31.2462 -14.1337 -14.1337 -14.1332 -14.1332 -12.6837 -12.6837 -12.6809 -12.6809 -12.5791 -12.5791 -12.3330 -12.3330 -12.3308 -12.3308 -12.2656 -12.2656 -12.1717 -12.1717 -12.0003 -12.0003 -11.9856 -11.9856 -11.1597 -11.1597 -11.1574 -11.1574 -11.1563 -11.1563 -3.0518 -3.0518 -1.0577 -1.0577 6.8598 6.8598 7.7302 7.7302 7.8662 7.8662 8.4372 8.4372 8.9337 8.9337 9.2164 9.2164 9.8114 9.8114 10.1990 10.1990 10.6863 10.6863 10.8436 10.8436 11.0997 11.0997 k = 0.0761 0.0761-0.0000 ( 4130 PWs) bands (ev): -31.3163 -31.3163 -31.2470 -31.2470 -31.2461 -31.2461 -14.1335 -14.1335 -14.1332 -14.1332 -12.6841 -12.6841 -12.6819 -12.6819 -12.5792 -12.5792 -12.3329 -12.3329 -12.3312 -12.3312 -12.2652 -12.2652 -12.1711 -12.1711 -11.9967 -11.9967 -11.9853 -11.9853 -11.1600 -11.1600 -11.1576 -11.1576 -11.1568 -11.1568 -3.0624 -3.0624 -1.0648 -1.0648 6.8922 6.8922 7.7665 7.7665 7.8723 7.8723 8.4995 8.4995 9.0162 9.0162 9.2718 9.2718 9.7814 9.7814 10.1152 10.1152 10.6455 10.6455 10.8284 10.8284 11.0312 11.0312 k = 0.0652 0.0652-0.0000 ( 4124 PWs) bands (ev): -31.3168 -31.3168 -31.2466 -31.2466 -31.2460 -31.2460 -14.1334 -14.1334 -14.1331 -14.1331 -12.6845 -12.6845 -12.6828 -12.6828 -12.5793 -12.5793 -12.3328 -12.3328 -12.3315 -12.3315 -12.2649 -12.2649 -12.1706 -12.1706 -11.9936 -11.9936 -11.9851 -11.9851 -11.1603 -11.1603 -11.1578 -11.1578 -11.1572 -11.1572 -3.0717 -3.0717 -1.0710 -1.0710 6.9208 6.9208 7.7991 7.7991 7.8782 7.8782 8.5545 8.5545 9.1048 9.1048 9.3270 9.3270 9.7545 9.7545 10.0352 10.0352 10.6008 10.6008 10.8151 10.8151 10.9679 10.9679 k = 0.0543 0.0543-0.0000 ( 4124 PWs) bands (ev): -31.3172 -31.3172 -31.2463 -31.2463 -31.2459 -31.2459 -14.1333 -14.1333 -14.1331 -14.1331 -12.6848 -12.6848 -12.6836 -12.6836 -12.5795 -12.5795 -12.3328 -12.3328 -12.3318 -12.3318 -12.2646 -12.2646 -12.1703 -12.1703 -11.9909 -11.9909 -11.9849 -11.9849 -11.1605 -11.1605 -11.1580 -11.1580 -11.1575 -11.1575 -3.0796 -3.0796 -1.0764 -1.0764 6.9454 6.9454 7.8279 7.8279 7.8836 7.8836 8.6017 8.6017 9.1981 9.1981 9.3817 9.3817 9.7309 9.7309 9.9592 9.9592 10.5492 10.5492 10.8038 10.8038 10.9112 10.9112 k = 0.0435 0.0435-0.0000 ( 4121 PWs) bands (ev): -31.3175 -31.3175 -31.2461 -31.2461 -31.2458 -31.2458 -14.1332 -14.1332 -14.1331 -14.1331 -12.6850 -12.6850 -12.6843 -12.6843 -12.5795 -12.5795 -12.3327 -12.3327 -12.3321 -12.3321 -12.2643 -12.2643 -12.1700 -12.1700 -11.9886 -11.9886 -11.9847 -11.9847 -11.1607 -11.1607 -11.1581 -11.1581 -11.1578 -11.1578 -3.0862 -3.0862 -1.0809 -1.0809 6.9656 6.9656 7.8522 7.8522 7.8883 7.8883 8.6407 8.6407 9.2939 9.2939 9.4358 9.4358 9.7103 9.7103 9.8874 9.8874 10.4885 10.4885 10.7944 10.7944 10.8624 10.8624 k = 0.0326 0.0326-0.0000 ( 4127 PWs) bands (ev): -31.3178 -31.3178 -31.2459 -31.2459 -31.2457 -31.2457 -14.1331 -14.1331 -14.1330 -14.1330 -12.6853 -12.6853 -12.6848 -12.6848 -12.5797 -12.5797 -12.3327 -12.3327 -12.3323 -12.3323 -12.2641 -12.2641 -12.1698 -12.1698 -11.9868 -11.9868 -11.9847 -11.9847 -11.1609 -11.1609 -11.1582 -11.1582 -11.1580 -11.1580 -3.0913 -3.0913 -1.0843 -1.0843 6.9816 6.9816 7.8717 7.8717 7.8923 7.8923 8.6713 8.6713 9.3886 9.3886 9.4889 9.4889 9.6921 9.6921 9.8195 9.8195 10.4202 10.4202 10.7867 10.7867 10.8232 10.8232 k = 0.0217 0.0217-0.0000 ( 4129 PWs) bands (ev): -31.3180 -31.3180 -31.2458 -31.2458 -31.2457 -31.2457 -14.1330 -14.1330 -14.1330 -14.1330 -12.6854 -12.6854 -12.6852 -12.6852 -12.5797 -12.5797 -12.3326 -12.3326 -12.3325 -12.3325 -12.2640 -12.2640 -12.1696 -12.1696 -11.9855 -11.9855 -11.9846 -11.9846 -11.1610 -11.1610 -11.1583 -11.1583 -11.1582 -11.1582 -3.0949 -3.0949 -1.0868 -1.0868 6.9930 6.9930 7.8860 7.8860 7.8952 7.8952 8.6934 8.6934 9.4776 9.4776 9.5402 9.5402 9.6752 9.6752 9.7550 9.7550 10.3532 10.3532 10.7805 10.7805 10.7948 10.7948 k = 0.0109 0.0109-0.0000 ( 4139 PWs) bands (ev): -31.3181 -31.3181 -31.2457 -31.2457 -31.2457 -31.2457 -14.1330 -14.1330 -14.1330 -14.1330 -12.6855 -12.6855 -12.6854 -12.6854 -12.5798 -12.5798 -12.3326 -12.3326 -12.3326 -12.3326 -12.2639 -12.2639 -12.1696 -12.1696 -11.9848 -11.9848 -11.9845 -11.9845 -11.1611 -11.1611 -11.1583 -11.1583 -11.1583 -11.1583 -3.0972 -3.0972 -1.0883 -1.0883 6.9999 6.9999 7.8947 7.8947 7.8970 7.8970 8.7068 8.7068 9.5566 9.5566 9.5866 9.5866 9.6568 9.6568 9.6926 9.6926 10.3018 10.3018 10.7752 10.7752 10.7779 10.7779 k = 0.0000 0.0000 0.0000 ( 4139 PWs) bands (ev): -31.3181 -31.3181 -31.2457 -31.2457 -31.2457 -31.2457 -14.1330 -14.1330 -14.1330 -14.1330 -12.6855 -12.6855 -12.6855 -12.6855 -12.5798 -12.5798 -12.3326 -12.3326 -12.3326 -12.3326 -12.2638 -12.2638 -12.1695 -12.1695 -11.9845 -11.9845 -11.9845 -11.9845 -11.1611 -11.1611 -11.1583 -11.1583 -11.1583 -11.1583 -3.0979 -3.0979 -1.0888 -1.0888 7.0022 7.0022 7.8976 7.8976 7.8976 7.8976 8.7113 8.7113 9.6149 9.6149 9.6149 9.6149 9.6399 9.6399 9.6399 9.6399 10.2822 10.2822 10.7724 10.7724 10.7724 10.7724 k = 0.0000 0.0000 0.0000 ( 4139 PWs) bands (ev): -31.3181 -31.3181 -31.2457 -31.2457 -31.2457 -31.2457 -14.1330 -14.1330 -14.1330 -14.1330 -12.6855 -12.6855 -12.6855 -12.6855 -12.5798 -12.5798 -12.3326 -12.3326 -12.3326 -12.3326 -12.2638 -12.2638 -12.1695 -12.1695 -11.9845 -11.9845 -11.9845 -11.9845 -11.1611 -11.1611 -11.1583 -11.1583 -11.1583 -11.1583 -3.0979 -3.0979 -1.0888 -1.0888 7.0022 7.0022 7.8976 7.8976 7.8976 7.8976 8.7113 8.7113 9.6149 9.6149 9.6149 9.6149 9.6399 9.6399 9.6399 9.6399 10.2822 10.2822 10.7724 10.7724 10.7724 10.7725 k = 0.0089 0.0089 0.0089 ( 4139 PWs) bands (ev): -31.3181 -31.3181 -31.2457 -31.2457 -31.2457 -31.2457 -14.1330 -14.1330 -14.1330 -14.1330 -12.6855 -12.6855 -12.6854 -12.6854 -12.5798 -12.5798 -12.3326 -12.3326 -12.3326 -12.3326 -12.2639 -12.2639 -12.1696 -12.1696 -11.9848 -11.9848 -11.9845 -11.9845 -11.1611 -11.1611 -11.1583 -11.1583 -11.1583 -11.1583 -3.0972 -3.0972 -1.0883 -1.0883 6.9998 6.9998 7.8950 7.8950 7.8967 7.8967 8.7067 8.7067 9.5641 9.5641 9.5751 9.5751 9.6618 9.6618 9.6915 9.6915 10.3019 10.3019 10.7757 10.7757 10.7774 10.7774 k = 0.0179 0.0179 0.0179 ( 4127 PWs) bands (ev): -31.3180 -31.3180 -31.2457 -31.2457 -31.2457 -31.2457 -14.1330 -14.1330 -14.1330 -14.1330 -12.6854 -12.6854 -12.6852 -12.6852 -12.5797 -12.5797 -12.3326 -12.3326 -12.3325 -12.3325 -12.2640 -12.2640 -12.1696 -12.1696 -11.9855 -11.9855 -11.9845 -11.9845 -11.1610 -11.1610 -11.1583 -11.1583 -11.1582 -11.1582 -3.0949 -3.0949 -1.0868 -1.0868 6.9929 6.9929 7.8871 7.8871 7.8939 7.8939 8.6932 8.6932 9.5030 9.5030 9.5035 9.5035 9.6878 9.6878 9.7543 9.7543 10.3522 10.3522 10.7859 10.7859 10.7882 10.7882 k = 0.0268 0.0268 0.0268 ( 4127 PWs) bands (ev): -31.3178 -31.3178 -31.2458 -31.2458 -31.2458 -31.2458 -14.1331 -14.1331 -14.1330 -14.1330 -12.6852 -12.6852 -12.6849 -12.6849 -12.5796 -12.5796 -12.3327 -12.3327 -12.3324 -12.3324 -12.2641 -12.2641 -12.1698 -12.1698 -11.9869 -11.9869 -11.9846 -11.9846 -11.1609 -11.1609 -11.1582 -11.1582 -11.1580 -11.1580 -3.0912 -3.0912 -1.0843 -1.0843 6.9814 6.9814 7.8741 7.8741 7.8892 7.8892 8.6708 8.6708 9.4138 9.4138 9.4434 9.4434 9.7172 9.7172 9.8180 9.8180 10.4153 10.4153 10.8016 10.8016 10.8027 10.8027 k = 0.0357 0.0357 0.0357 ( 4124 PWs) bands (ev): -31.3175 -31.3175 -31.2459 -31.2459 -31.2459 -31.2459 -14.1332 -14.1332 -14.1330 -14.1330 -12.6849 -12.6849 -12.6844 -12.6844 -12.5795 -12.5795 -12.3327 -12.3327 -12.3321 -12.3321 -12.2643 -12.2643 -12.1700 -12.1700 -11.9888 -11.9888 -11.9846 -11.9846 -11.1607 -11.1607 -11.1581 -11.1581 -11.1578 -11.1578 -3.0860 -3.0860 -1.0808 -1.0808 6.9656 6.9656 7.8564 7.8564 7.8828 7.8828 8.6398 8.6398 9.3162 9.3162 9.3842 9.3842 9.7526 9.7526 9.8818 9.8818 10.4771 10.4771 10.8187 10.8187 10.8263 10.8263 k = 0.0446 0.0446 0.0446 ( 4118 PWs) bands (ev): -31.3172 -31.3172 -31.2461 -31.2461 -31.2461 -31.2461 -14.1333 -14.1333 -14.1331 -14.1331 -12.6846 -12.6846 -12.6837 -12.6837 -12.5794 -12.5794 -12.3328 -12.3328 -12.3318 -12.3318 -12.2646 -12.2646 -12.1703 -12.1703 -11.9912 -11.9912 -11.9846 -11.9846 -11.1605 -11.1605 -11.1580 -11.1580 -11.1575 -11.1575 -3.0794 -3.0794 -1.0763 -1.0763 6.9456 6.9456 7.8341 7.8341 7.8748 7.8748 8.6003 8.6003 9.2166 9.2166 9.3258 9.3258 9.7944 9.7944 9.9456 9.9456 10.5312 10.5312 10.8403 10.8403 10.8565 10.8565 k = 0.0536 0.0536 0.0536 ( 4127 PWs) bands (ev): -31.3167 -31.3167 -31.2463 -31.2463 -31.2463 -31.2463 -14.1334 -14.1334 -14.1331 -14.1331 -12.6843 -12.6843 -12.6830 -12.6830 -12.5793 -12.5793 -12.3329 -12.3329 -12.3315 -12.3315 -12.2649 -12.2649 -12.1707 -12.1707 -11.9940 -11.9940 -11.9847 -11.9847 -11.1603 -11.1603 -11.1578 -11.1578 -11.1571 -11.1571 -3.0713 -3.0713 -1.0708 -1.0708 6.9216 6.9216 7.8077 7.8077 7.8650 7.8650 8.5522 8.5522 9.1193 9.1193 9.2684 9.2684 9.8420 9.8420 10.0091 10.0091 10.5777 10.5777 10.8663 10.8663 10.8931 10.8931 k = 0.0625 0.0625 0.0625 ( 4127 PWs) bands (ev): -31.3163 -31.3163 -31.2465 -31.2465 -31.2465 -31.2465 -14.1335 -14.1335 -14.1331 -14.1331 -12.6839 -12.6839 -12.6822 -12.6822 -12.5792 -12.5792 -12.3331 -12.3331 -12.3310 -12.3310 -12.2652 -12.2652 -12.1713 -12.1713 -11.9973 -11.9973 -11.9848 -11.9848 -11.1601 -11.1601 -11.1576 -11.1576 -11.1567 -11.1567 -3.0618 -3.0618 -1.0644 -1.0644 6.8941 6.8941 7.7777 7.7777 7.8536 7.8536 8.4960 8.4960 9.0270 9.0270 9.2116 9.2116 9.8947 9.8947 10.0719 10.0719 10.6194 10.6194 10.8969 10.8969 10.9360 10.9360 k = 0.0714 0.0714 0.0714 ( 4112 PWs) bands (ev): -31.3157 -31.3157 -31.2468 -31.2468 -31.2468 -31.2468 -14.1337 -14.1337 -14.1332 -14.1332 -12.6834 -12.6834 -12.6812 -12.6812 -12.5790 -12.5790 -12.3333 -12.3333 -12.3304 -12.3304 -12.2654 -12.2654 -12.1719 -12.1719 -12.0009 -12.0009 -11.9848 -11.9848 -11.1598 -11.1598 -11.1573 -11.1573 -11.1563 -11.1563 -3.0510 -3.0510 -1.0572 -1.0572 6.8632 6.8632 7.7445 7.7445 7.8403 7.8403 8.4322 8.4322 8.9414 8.9414 9.1557 9.1557 9.9516 9.9516 10.1340 10.1340 10.6589 10.6589 10.9321 10.9321 10.9851 10.9851 k = 0.0804 0.0804 0.0804 ( 4124 PWs) bands (ev): -31.3151 -31.3151 -31.2471 -31.2471 -31.2471 -31.2471 -14.1339 -14.1339 -14.1332 -14.1332 -12.6830 -12.6830 -12.6802 -12.6802 -12.5788 -12.5788 -12.3336 -12.3336 -12.3298 -12.3298 -12.2657 -12.2657 -12.1728 -12.1728 -12.0048 -12.0048 -11.9849 -11.9849 -11.1596 -11.1596 -11.1570 -11.1570 -11.1558 -11.1558 -3.0388 -3.0388 -1.0491 -1.0491 6.8294 6.8294 7.7085 7.7085 7.8247 7.8247 8.3624 8.3624 8.8630 8.8630 9.1003 9.1003 10.0120 10.0120 10.1951 10.1951 10.6980 10.6980 10.9719 10.9719 11.0399 11.0399 k = 0.0893 0.0893 0.0893 ( 4139 PWs) bands (ev): -31.3144 -31.3144 -31.2475 -31.2475 -31.2475 -31.2475 -14.1341 -14.1341 -14.1333 -14.1333 -12.6826 -12.6826 -12.6792 -12.6792 -12.5786 -12.5786 -12.3341 -12.3341 -12.3290 -12.3290 -12.2660 -12.2660 -12.1739 -12.1739 -12.0089 -12.0089 -11.9850 -11.9850 -11.1593 -11.1593 -11.1566 -11.1566 -11.1552 -11.1552 -3.0253 -3.0253 -1.0403 -1.0403 6.7929 6.7929 7.6703 7.6703 7.8061 7.8061 8.2887 8.2887 8.7912 8.7912 9.0455 9.0455 10.0750 10.0750 10.2553 10.2553 10.7381 10.7381 11.0162 11.0162 11.1000 11.1000 k = 0.0982 0.0982 0.0982 ( 4133 PWs) bands (ev): -31.3136 -31.3136 -31.2478 -31.2478 -31.2478 -31.2478 -14.1342 -14.1342 -14.1333 -14.1333 -12.6821 -12.6821 -12.6780 -12.6780 -12.5784 -12.5784 -12.3347 -12.3347 -12.3281 -12.3281 -12.2661 -12.2661 -12.1752 -12.1752 -12.0132 -12.0132 -11.9851 -11.9851 -11.1591 -11.1591 -11.1562 -11.1562 -11.1547 -11.1547 -3.0106 -3.0106 -1.0306 -1.0306 6.7543 6.7543 7.6302 7.6302 7.7833 7.7833 8.2143 8.2143 8.7252 8.7252 8.9911 8.9911 10.1401 10.1401 10.3146 10.3146 10.7797 10.7797 11.0649 11.0649 11.1649 11.1649 k = 0.1071 0.1071 0.1071 ( 4130 PWs) bands (ev): -31.3128 -31.3128 -31.2482 -31.2482 -31.2482 -31.2482 -14.1344 -14.1344 -14.1334 -14.1334 -12.6816 -12.6816 -12.6769 -12.6769 -12.5782 -12.5782 -12.3354 -12.3354 -12.3270 -12.3270 -12.2661 -12.2661 -12.1768 -12.1768 -12.0174 -12.0174 -11.9851 -11.9851 -11.1589 -11.1589 -11.1557 -11.1557 -11.1541 -11.1541 -2.9947 -2.9947 -1.0203 -1.0203 6.7138 6.7138 7.5887 7.5887 7.7549 7.7549 8.1426 8.1426 8.6636 8.6636 8.9372 8.9372 10.2066 10.2066 10.3730 10.3730 10.8233 10.8233 11.1180 11.1180 11.2340 11.2340 k = 0.1161 0.1161 0.1161 ( 4130 PWs) bands (ev): -31.3119 -31.3119 -31.2486 -31.2486 -31.2486 -31.2486 -14.1346 -14.1346 -14.1334 -14.1334 -12.6812 -12.6812 -12.6757 -12.6757 -12.5781 -12.5781 -12.3363 -12.3363 -12.3258 -12.3258 -12.2660 -12.2660 -12.1787 -12.1787 -12.0217 -12.0217 -11.9851 -11.9851 -11.1587 -11.1587 -11.1552 -11.1552 -11.1534 -11.1534 -2.9777 -2.9777 -1.0094 -1.0094 6.6718 6.6718 7.5462 7.5462 7.7187 7.7187 8.0772 8.0772 8.6054 8.6054 8.8836 8.8836 10.2740 10.2740 10.4307 10.4307 10.8692 10.8692 11.1752 11.1752 11.3066 11.3066 k = 0.1250 0.1250 0.1250 ( 4130 PWs) bands (ev): -31.3109 -31.3109 -31.2491 -31.2491 -31.2491 -31.2491 -14.1348 -14.1348 -14.1335 -14.1335 -12.6809 -12.6809 -12.6746 -12.6746 -12.5779 -12.5779 -12.3374 -12.3374 -12.3244 -12.3244 -12.2658 -12.2658 -12.1811 -12.1811 -12.0257 -12.0257 -11.9851 -11.9851 -11.1585 -11.1585 -11.1547 -11.1547 -11.1528 -11.1528 -2.9595 -2.9595 -0.9980 -0.9980 6.6286 6.6286 7.5031 7.5031 7.6734 7.6734 8.0210 8.0210 8.5497 8.5497 8.8304 8.8304 10.3419 10.3419 10.4879 10.4879 10.9174 10.9174 11.2363 11.2363 11.3821 11.3821 k = 0.1339 0.1339 0.1339 ( 4136 PWs) bands (ev): -31.3100 -31.3100 -31.2496 -31.2496 -31.2496 -31.2496 -14.1350 -14.1350 -14.1335 -14.1335 -12.6806 -12.6806 -12.6735 -12.6735 -12.5779 -12.5779 -12.3387 -12.3387 -12.3228 -12.3228 -12.2655 -12.2655 -12.1838 -12.1838 -12.0296 -12.0296 -11.9851 -11.9851 -11.1584 -11.1584 -11.1541 -11.1541 -11.1522 -11.1522 -2.9404 -2.9404 -0.9860 -0.9860 6.5845 6.5845 7.4595 7.4595 7.6187 7.6187 7.9752 7.9752 8.4959 8.4959 8.7776 8.7776 10.4100 10.4100 10.5447 10.5447 10.9681 10.9681 11.3010 11.3010 11.4597 11.4597 k = 0.1429 0.1429 0.1429 ( 4136 PWs) bands (ev): -31.3089 -31.3089 -31.2501 -31.2501 -31.2501 -31.2501 -14.1352 -14.1352 -14.1336 -14.1336 -12.6803 -12.6803 -12.6725 -12.6725 -12.5778 -12.5778 -12.3402 -12.3402 -12.3211 -12.3211 -12.2650 -12.2650 -12.1870 -12.1870 -12.0330 -12.0330 -11.9850 -11.9850 -11.1582 -11.1582 -11.1536 -11.1536 -11.1515 -11.1515 -2.9202 -2.9202 -0.9736 -0.9736 6.5399 6.5399 7.4159 7.4159 7.5564 7.5564 7.9386 7.9386 8.4435 8.4435 8.7251 8.7251 10.4779 10.4779 10.6012 10.6012 11.0211 11.0211 11.3689 11.3689 11.5387 11.5387 k = 0.1518 0.1518 0.1518 ( 4142 PWs) bands (ev): -31.3078 -31.3078 -31.2506 -31.2506 -31.2506 -31.2506 -14.1354 -14.1354 -14.1336 -14.1336 -12.6802 -12.6802 -12.6715 -12.6715 -12.5779 -12.5779 -12.3420 -12.3420 -12.3191 -12.3191 -12.2643 -12.2643 -12.1907 -12.1907 -12.0361 -12.0361 -11.9849 -11.9849 -11.1580 -11.1580 -11.1531 -11.1531 -11.1509 -11.1509 -2.8992 -2.8992 -0.9609 -0.9609 6.4951 6.4951 7.3724 7.3724 7.4892 7.4892 7.9092 7.9092 8.3924 8.3924 8.6729 8.6729 10.5456 10.5456 10.6576 10.6576 11.0765 11.0765 11.4395 11.4395 11.6183 11.6183 k = 0.1607 0.1607 0.1607 ( 4142 PWs) bands (ev): -31.3067 -31.3067 -31.2512 -31.2512 -31.2512 -31.2512 -14.1356 -14.1356 -14.1336 -14.1336 -12.6801 -12.6801 -12.6706 -12.6706 -12.5781 -12.5781 -12.3439 -12.3439 -12.3170 -12.3170 -12.2636 -12.2636 -12.1949 -12.1949 -12.0386 -12.0386 -11.9847 -11.9847 -11.1579 -11.1579 -11.1526 -11.1526 -11.1503 -11.1503 -2.8774 -2.8774 -0.9479 -0.9479 6.4504 6.4504 7.3294 7.3294 7.4196 7.4196 7.8844 7.8844 8.3425 8.3425 8.6212 8.6212 10.6128 10.6128 10.7139 10.7139 11.1341 11.1341 11.5122 11.5122 11.6976 11.6976 k = 0.1696 0.1696 0.1696 ( 4148 PWs) bands (ev): -31.3055 -31.3055 -31.2517 -31.2517 -31.2517 -31.2517 -14.1358 -14.1358 -14.1337 -14.1337 -12.6800 -12.6800 -12.6699 -12.6699 -12.5785 -12.5785 -12.3460 -12.3460 -12.3146 -12.3146 -12.2626 -12.2626 -12.1995 -12.1995 -12.0406 -12.0406 -11.9846 -11.9846 -11.1577 -11.1577 -11.1521 -11.1521 -11.1497 -11.1497 -2.8548 -2.8548 -0.9347 -0.9347 6.4059 6.4059 7.2869 7.2869 7.3498 7.3498 7.8625 7.8625 8.2938 8.2938 8.5699 8.5699 10.6795 10.6795 10.7703 10.7703 11.1938 11.1938 11.5865 11.5865 11.7759 11.7759 k = 0.1786 0.1786 0.1786 ( 4142 PWs) bands (ev): -31.3043 -31.3043 -31.2523 -31.2523 -31.2523 -31.2523 -14.1359 -14.1359 -14.1337 -14.1337 -12.6801 -12.6801 -12.6692 -12.6692 -12.5789 -12.5789 -12.3483 -12.3483 -12.3121 -12.3121 -12.2616 -12.2616 -12.2046 -12.2046 -12.0420 -12.0420 -11.9842 -11.9842 -11.1576 -11.1576 -11.1516 -11.1516 -11.1491 -11.1491 -2.8315 -2.8315 -0.9214 -0.9214 6.3621 6.3621 7.2452 7.2452 7.2810 7.2810 7.8420 7.8420 8.2466 8.2466 8.5190 8.5190 10.7457 10.7457 10.8268 10.8268 11.2554 11.2554 11.6614 11.6614 11.8522 11.8522 k = 0.1875 0.1875 0.1875 ( 4142 PWs) bands (ev): -31.3030 -31.3030 -31.2529 -31.2529 -31.2529 -31.2529 -14.1361 -14.1361 -14.1337 -14.1337 -12.6802 -12.6802 -12.6687 -12.6687 -12.5795 -12.5795 -12.3508 -12.3508 -12.3093 -12.3093 -12.2606 -12.2606 -12.2099 -12.2099 -12.0428 -12.0428 -11.9839 -11.9839 -11.1574 -11.1574 -11.1512 -11.1512 -11.1486 -11.1486 -2.8076 -2.8076 -0.9081 -0.9081 6.3191 6.3191 7.2043 7.2043 7.2143 7.2143 7.8215 7.8215 8.2012 8.2012 8.4688 8.4688 10.8112 10.8112 10.8835 10.8835 11.3188 11.3188 11.7362 11.7362 11.9255 11.9255 k = 0.1964 0.1964 0.1964 ( 4148 PWs) bands (ev): -31.3018 -31.3018 -31.2535 -31.2535 -31.2535 -31.2535 -14.1362 -14.1362 -14.1337 -14.1337 -12.6804 -12.6804 -12.6684 -12.6684 -12.5805 -12.5805 -12.3535 -12.3535 -12.3063 -12.3063 -12.2595 -12.2595 -12.2155 -12.2155 -12.0430 -12.0430 -11.9835 -11.9835 -11.1573 -11.1573 -11.1508 -11.1508 -11.1481 -11.1481 -2.7832 -2.7832 -0.8948 -0.8948 6.2772 6.2772 7.1503 7.1503 7.1645 7.1645 7.8003 7.8003 8.1578 8.1578 8.4192 8.4192 10.8761 10.8761 10.9401 10.9401 11.3835 11.3835 11.8097 11.8097 11.9947 11.9947 k = 0.2054 0.2054 0.2054 ( 4148 PWs) bands (ev): -31.3004 -31.3004 -31.2541 -31.2541 -31.2541 -31.2541 -14.1363 -14.1363 -14.1337 -14.1337 -12.6807 -12.6807 -12.6682 -12.6682 -12.5816 -12.5816 -12.3564 -12.3564 -12.3031 -12.3031 -12.2585 -12.2585 -12.2211 -12.2211 -12.0426 -12.0426 -11.9830 -11.9830 -11.1572 -11.1572 -11.1504 -11.1504 -11.1477 -11.1477 -2.7583 -2.7583 -0.8816 -0.8816 6.2366 6.2366 7.0893 7.0893 7.1257 7.1257 7.7775 7.7775 8.1170 8.1170 8.3702 8.3702 10.9403 10.9403 10.9968 10.9968 11.4494 11.4494 11.8809 11.8809 12.0589 12.0589 k = 0.2143 0.2143 0.2143 ( 4142 PWs) bands (ev): -31.2991 -31.2991 -31.2548 -31.2548 -31.2548 -31.2548 -14.1363 -14.1363 -14.1337 -14.1337 -12.6811 -12.6811 -12.6681 -12.6681 -12.5830 -12.5830 -12.3594 -12.3594 -12.2998 -12.2998 -12.2578 -12.2578 -12.2265 -12.2265 -12.0416 -12.0416 -11.9824 -11.9824 -11.1571 -11.1571 -11.1502 -11.1502 -11.1473 -11.1473 -2.7330 -2.7330 -0.8687 -0.8687 6.1977 6.1977 7.0317 7.0317 7.0881 7.0881 7.7523 7.7523 8.0792 8.0792 8.3220 8.3220 11.0038 11.0038 11.0534 11.0534 11.5159 11.5159 11.9483 11.9483 12.1168 12.1168 k = 0.2232 0.2232 0.2232 ( 4148 PWs) bands (ev): -31.2977 -31.2977 -31.2554 -31.2554 -31.2554 -31.2554 -14.1364 -14.1364 -14.1337 -14.1337 -12.6816 -12.6816 -12.6683 -12.6683 -12.5847 -12.5847 -12.3626 -12.3626 -12.2962 -12.2962 -12.2577 -12.2577 -12.2314 -12.2314 -12.0402 -12.0402 -11.9818 -11.9818 -11.1570 -11.1570 -11.1499 -11.1499 -11.1469 -11.1469 -2.7074 -2.7074 -0.8560 -0.8560 6.1606 6.1606 6.9775 6.9775 7.0517 7.0517 7.7242 7.7242 8.0447 8.0447 8.2747 8.2747 11.0664 11.0664 11.1098 11.1098 11.5825 11.5825 12.0104 12.0104 12.1672 12.1672 k = 0.2321 0.2321 0.2321 ( 4139 PWs) bands (ev): -31.2964 -31.2964 -31.2561 -31.2561 -31.2561 -31.2561 -14.1364 -14.1364 -14.1337 -14.1337 -12.6820 -12.6820 -12.6685 -12.6685 -12.5867 -12.5867 -12.3659 -12.3659 -12.2925 -12.2925 -12.2585 -12.2585 -12.2351 -12.2351 -12.0382 -12.0382 -11.9811 -11.9811 -11.1569 -11.1569 -11.1497 -11.1497 -11.1466 -11.1466 -2.6817 -2.6817 -0.8436 -0.8436 6.1256 6.1256 6.9268 6.9268 7.0167 7.0167 7.6929 7.6929 8.0137 8.0137 8.2283 8.2283 11.1280 11.1280 11.1656 11.1656 11.6483 11.6483 12.0654 12.0654 12.2093 12.2093 k = 0.2411 0.2411 0.2411 ( 4145 PWs) bands (ev): -31.2950 -31.2950 -31.2567 -31.2567 -31.2567 -31.2567 -14.1364 -14.1364 -14.1337 -14.1337 -12.6826 -12.6826 -12.6689 -12.6689 -12.5891 -12.5891 -12.3693 -12.3693 -12.2886 -12.2886 -12.2608 -12.2608 -12.2373 -12.2373 -12.0359 -12.0359 -11.9803 -11.9803 -11.1568 -11.1568 -11.1496 -11.1496 -11.1464 -11.1464 -2.6557 -2.6557 -0.8316 -0.8316 6.0928 6.0928 6.8797 6.8797 6.9829 6.9829 7.6584 7.6584 7.9861 7.9861 8.1829 8.1829 11.1884 11.1884 11.2208 11.2208 11.7120 11.7120 12.1105 12.1105 12.2292 12.2292 k = 0.2500 0.2500 0.2500 ( 4146 PWs) bands (ev): -31.2936 -31.2936 -31.2574 -31.2574 -31.2574 -31.2574 -14.1364 -14.1364 -14.1336 -14.1336 -12.6833 -12.6833 -12.6695 -12.6695 -12.5918 -12.5918 -12.3728 -12.3728 -12.2846 -12.2846 -12.2643 -12.2643 -12.2379 -12.2379 -12.0332 -12.0332 -11.9794 -11.9794 -11.1568 -11.1568 -11.1495 -11.1495 -11.1462 -11.1462 -2.6297 -2.6297 -0.8201 -0.8201 6.0626 6.0626 6.8360 6.8360 6.9505 6.9505 7.6210 7.6210 7.9616 7.9616 8.1385 8.1385 11.2473 11.2473 11.2748 11.2748 11.7713 11.7713 12.1400 12.1400 12.2102 12.2102 k = 0.2589 0.2589 0.2589 ( 4146 PWs) bands (ev): -31.2923 -31.2923 -31.2580 -31.2580 -31.2580 -31.2580 -14.1363 -14.1363 -14.1336 -14.1336 -12.6840 -12.6840 -12.6703 -12.6703 -12.5949 -12.5949 -12.3765 -12.3765 -12.2805 -12.2805 -12.2686 -12.2686 -12.2374 -12.2374 -12.0301 -12.0301 -11.9784 -11.9784 -11.1567 -11.1567 -11.1495 -11.1495 -11.1461 -11.1461 -2.6038 -2.6038 -0.8091 -0.8091 6.0350 6.0350 6.7957 6.7957 6.9194 6.9194 7.5810 7.5810 7.9397 7.9397 8.0954 8.0954 11.3044 11.3044 11.3274 11.3274 11.8226 11.8226 12.1458 12.1458 12.2116 12.2116 k = 0.2679 0.2679 0.2679 ( 4146 PWs) bands (ev): -31.2909 -31.2909 -31.2587 -31.2587 -31.2587 -31.2587 -14.1362 -14.1362 -14.1335 -14.1335 -12.6847 -12.6847 -12.6711 -12.6711 -12.5984 -12.5984 -12.3802 -12.3802 -12.2763 -12.2763 -12.2732 -12.2732 -12.2363 -12.2363 -12.0267 -12.0267 -11.9773 -11.9773 -11.1567 -11.1567 -11.1496 -11.1496 -11.1461 -11.1461 -2.5779 -2.5779 -0.7987 -0.7987 6.0103 6.0103 6.7588 6.7588 6.8897 6.8897 7.5390 7.5390 7.9198 7.9198 8.0535 8.0535 11.3590 11.3590 11.3779 11.3779 11.8593 11.8593 12.1441 12.1441 12.2233 12.2233 k = 0.2768 0.2768 0.2768 ( 4146 PWs) bands (ev): -31.2895 -31.2895 -31.2593 -31.2593 -31.2593 -31.2593 -14.1361 -14.1361 -14.1335 -14.1335 -12.6855 -12.6855 -12.6721 -12.6721 -12.6023 -12.6023 -12.3841 -12.3841 -12.2778 -12.2778 -12.2720 -12.2720 -12.2348 -12.2348 -12.0231 -12.0231 -11.9762 -11.9762 -11.1567 -11.1567 -11.1497 -11.1497 -11.1461 -11.1461 -2.5522 -2.5522 -0.7889 -0.7889 5.9885 5.9885 6.7251 6.7251 6.8613 6.8613 7.4954 7.4954 7.9015 7.9015 8.0129 8.0129 11.4107 11.4107 11.4256 11.4256 11.8747 11.8747 12.1558 12.1558 12.2318 12.2318 k = 0.2857 0.2857 0.2857 ( 4140 PWs) bands (ev): -31.2882 -31.2882 -31.2600 -31.2600 -31.2600 -31.2600 -14.1360 -14.1360 -14.1334 -14.1334 -12.6863 -12.6863 -12.6732 -12.6732 -12.6065 -12.6065 -12.3879 -12.3879 -12.2822 -12.2822 -12.2677 -12.2677 -12.2330 -12.2330 -12.0193 -12.0193 -11.9749 -11.9749 -11.1567 -11.1567 -11.1498 -11.1498 -11.1461 -11.1461 -2.5268 -2.5268 -0.7797 -0.7797 5.9699 5.9699 6.6944 6.6944 6.8343 6.8343 7.4507 7.4507 7.8842 7.8842 7.9737 7.9737 11.4585 11.4585 11.4696 11.4696 11.8681 11.8681 12.1852 12.1852 12.2346 12.2346 k = 0.2946 0.2946 0.2946 ( 4140 PWs) bands (ev): -31.2869 -31.2869 -31.2606 -31.2606 -31.2606 -31.2606 -14.1358 -14.1358 -14.1333 -14.1333 -12.6871 -12.6871 -12.6744 -12.6744 -12.6110 -12.6110 -12.3919 -12.3919 -12.2863 -12.2863 -12.2634 -12.2634 -12.2312 -12.2312 -12.0153 -12.0153 -11.9736 -11.9736 -11.1568 -11.1568 -11.1500 -11.1500 -11.1463 -11.1463 -2.5017 -2.5017 -0.7711 -0.7711 5.9544 5.9544 6.6668 6.6668 6.8085 6.8085 7.4052 7.4052 7.8675 7.8675 7.9359 7.9359 11.5014 11.5014 11.5091 11.5091 11.8461 11.8461 12.2264 12.2264 12.2331 12.2331 k = 0.3036 0.3036 0.3036 ( 4158 PWs) bands (ev): -31.2856 -31.2856 -31.2612 -31.2612 -31.2612 -31.2612 -14.1357 -14.1357 -14.1332 -14.1332 -12.6880 -12.6880 -12.6757 -12.6757 -12.6159 -12.6159 -12.3959 -12.3959 -12.2901 -12.2901 -12.2591 -12.2591 -12.2293 -12.2293 -12.0112 -12.0112 -11.9723 -11.9723 -11.1568 -11.1568 -11.1502 -11.1502 -11.1464 -11.1464 -2.4770 -2.4770 -0.7632 -0.7632 5.9421 5.9421 6.6420 6.6420 6.7841 6.7841 7.3592 7.3592 7.8511 7.8511 7.8996 7.8996 11.5381 11.5381 11.5425 11.5425 11.8155 11.8155 12.2291 12.2291 12.2603 12.2603 k = 0.3125 0.3125 0.3125 ( 4176 PWs) bands (ev): -31.2843 -31.2843 -31.2619 -31.2619 -31.2619 -31.2619 -14.1355 -14.1355 -14.1331 -14.1331 -12.6889 -12.6889 -12.6771 -12.6771 -12.6209 -12.6209 -12.3999 -12.3999 -12.2935 -12.2935 -12.2548 -12.2548 -12.2274 -12.2274 -12.0070 -12.0070 -11.9709 -11.9709 -11.1570 -11.1570 -11.1504 -11.1504 -11.1467 -11.1467 -2.4527 -2.4527 -0.7560 -0.7560 5.9332 5.9332 6.6199 6.6199 6.7609 6.7609 7.3130 7.3130 7.8348 7.8348 7.8649 7.8649 11.5670 11.5670 11.5688 11.5688 11.7806 11.7806 12.2257 12.2257 12.2527 12.2527 k = 0.3214 0.3214 0.3214 ( 4167 PWs) bands (ev): -31.2830 -31.2830 -31.2625 -31.2625 -31.2625 -31.2625 -14.1353 -14.1353 -14.1330 -14.1330 -12.6897 -12.6897 -12.6785 -12.6785 -12.6262 -12.6262 -12.4038 -12.4038 -12.2964 -12.2964 -12.2506 -12.2506 -12.2254 -12.2254 -12.0026 -12.0026 -11.9694 -11.9694 -11.1571 -11.1571 -11.1507 -11.1507 -11.1469 -11.1469 -2.4291 -2.4291 -0.7495 -0.7495 5.9275 5.9275 6.6005 6.6005 6.7390 6.7390 7.2668 7.2668 7.8183 7.8183 7.8319 7.8319 11.5868 11.5868 11.5869 11.5869 11.7440 11.7440 12.2252 12.2252 12.2490 12.2490 k = 0.3304 0.3304 0.3304 ( 4173 PWs) bands (ev): -31.2818 -31.2818 -31.2630 -31.2630 -31.2630 -31.2630 -14.1350 -14.1350 -14.1329 -14.1329 -12.6906 -12.6906 -12.6800 -12.6800 -12.6317 -12.6317 -12.4077 -12.4077 -12.2990 -12.2990 -12.2464 -12.2464 -12.2235 -12.2235 -11.9983 -11.9983 -11.9679 -11.9679 -11.1573 -11.1573 -11.1510 -11.1510 -11.1473 -11.1473 -2.4061 -2.4061 -0.7436 -0.7436 5.9251 5.9251 6.5835 6.5835 6.7183 6.7183 7.2207 7.2207 7.8005 7.8005 7.8016 7.8016 11.5957 11.5957 11.5965 11.5965 11.7071 11.7072 12.2294 12.2294 12.2507 12.2507 k = 0.3393 0.3393 0.3393 ( 4161 PWs) bands (ev): -31.2806 -31.2806 -31.2636 -31.2636 -31.2636 -31.2636 -14.1348 -14.1348 -14.1328 -14.1328 -12.6915 -12.6915 -12.6815 -12.6815 -12.6372 -12.6372 -12.4115 -12.4115 -12.3013 -12.3013 -12.2422 -12.2422 -12.2216 -12.2216 -11.9939 -11.9939 -11.9663 -11.9663 -11.1575 -11.1575 -11.1512 -11.1512 -11.1476 -11.1476 -2.3837 -2.3837 -0.7384 -0.7384 5.9260 5.9260 6.5688 6.5688 6.6988 6.6988 7.1749 7.1749 7.7708 7.7708 7.7845 7.7845 11.5953 11.5953 11.5956 11.5956 11.6716 11.6716 12.2395 12.2395 12.2584 12.2584 k = 0.3482 0.3482 0.3482 ( 4170 PWs) bands (ev): -31.2794 -31.2794 -31.2642 -31.2642 -31.2642 -31.2642 -14.1345 -14.1345 -14.1327 -14.1327 -12.6923 -12.6923 -12.6830 -12.6830 -12.6428 -12.6428 -12.4153 -12.4153 -12.3032 -12.3032 -12.2383 -12.2383 -12.2198 -12.2198 -11.9896 -11.9896 -11.9647 -11.9647 -11.1577 -11.1577 -11.1515 -11.1515 -11.1480 -11.1480 -2.3622 -2.3622 -0.7339 -0.7339 5.9300 5.9300 6.5564 6.5564 6.6804 6.6804 7.1294 7.1294 7.7428 7.7428 7.7669 7.7669 11.5830 11.5830 11.5871 11.5871 11.6387 11.6387 12.2553 12.2553 12.2719 12.2719 k = 0.3571 0.3571 0.3571 ( 4170 PWs) bands (ev): -31.2783 -31.2783 -31.2647 -31.2647 -31.2647 -31.2647 -14.1343 -14.1343 -14.1326 -14.1326 -12.6932 -12.6932 -12.6845 -12.6845 -12.6485 -12.6485 -12.4188 -12.4188 -12.3048 -12.3048 -12.2345 -12.2345 -12.2180 -12.2180 -11.9854 -11.9854 -11.9630 -11.9630 -11.1580 -11.1580 -11.1518 -11.1518 -11.1484 -11.1484 -2.3414 -2.3414 -0.7299 -0.7299 5.9371 5.9371 6.5459 6.5459 6.6632 6.6632 7.0844 7.0844 7.7165 7.7165 7.7489 7.7489 11.5609 11.5609 11.5715 11.5715 11.6089 11.6089 12.2759 12.2759 12.2902 12.2902 k = 0.3661 0.3661 0.3661 ( 4167 PWs) bands (ev): -31.2773 -31.2773 -31.2652 -31.2652 -31.2652 -31.2652 -14.1340 -14.1340 -14.1325 -14.1325 -12.6940 -12.6940 -12.6860 -12.6860 -12.6540 -12.6540 -12.4223 -12.4223 -12.3062 -12.3062 -12.2308 -12.2308 -12.2162 -12.2162 -11.9812 -11.9812 -11.9614 -11.9614 -11.1584 -11.1584 -11.1520 -11.1520 -11.1489 -11.1489 -2.3216 -2.3216 -0.7265 -0.7265 5.9471 5.9471 6.5375 6.5375 6.6471 6.6471 7.0398 7.0398 7.6920 7.6920 7.7304 7.7304 11.5327 11.5327 11.5505 11.5505 11.5808 11.5808 12.3001 12.3001 12.3122 12.3122 k = 0.3750 0.3750 0.3750 ( 4167 PWs) bands (ev): -31.2763 -31.2763 -31.2657 -31.2657 -31.2657 -31.2657 -14.1338 -14.1338 -14.1324 -14.1324 -12.6948 -12.6948 -12.6875 -12.6875 -12.6595 -12.6595 -12.4256 -12.4256 -12.3073 -12.3073 -12.2273 -12.2273 -12.2146 -12.2146 -11.9772 -11.9772 -11.9598 -11.9598 -11.1587 -11.1587 -11.1522 -11.1522 -11.1493 -11.1493 -2.3027 -2.3027 -0.7236 -0.7236 5.9600 5.9600 6.5307 6.5307 6.6320 6.6320 6.9959 6.9959 7.6693 7.6693 7.7116 7.7116 11.5022 11.5022 11.5256 11.5256 11.5525 11.5525 12.3265 12.3265 12.3364 12.3364 k = 0.3839 0.3839 0.3839 ( 4155 PWs) bands (ev): -31.2753 -31.2753 -31.2661 -31.2661 -31.2661 -31.2661 -14.1335 -14.1335 -14.1323 -14.1323 -12.6955 -12.6955 -12.6889 -12.6889 -12.6649 -12.6649 -12.4287 -12.4287 -12.3082 -12.3082 -12.2240 -12.2240 -12.2130 -12.2130 -11.9733 -11.9733 -11.9582 -11.9582 -11.1591 -11.1591 -11.1524 -11.1524 -11.1498 -11.1498 -2.2849 -2.2849 -0.7212 -0.7212 5.9755 5.9755 6.5256 6.5256 6.6181 6.6181 6.9525 6.9525 7.6483 7.6483 7.6926 7.6926 11.4716 11.4716 11.4983 11.4983 11.5236 11.5236 12.3538 12.3538 12.3616 12.3616 k = 0.3929 0.3929 0.3929 ( 4152 PWs) bands (ev): -31.2744 -31.2744 -31.2665 -31.2665 -31.2665 -31.2665 -14.1332 -14.1332 -14.1322 -14.1322 -12.6962 -12.6962 -12.6903 -12.6903 -12.6700 -12.6700 -12.4316 -12.4316 -12.3089 -12.3089 -12.2209 -12.2209 -12.2115 -12.2115 -11.9696 -11.9696 -11.9566 -11.9566 -11.1595 -11.1595 -11.1526 -11.1526 -11.1502 -11.1502 -2.2681 -2.2681 -0.7193 -0.7193 5.9935 5.9935 6.5219 6.5219 6.6052 6.6052 6.9098 6.9098 7.6290 7.6290 7.6735 7.6735 11.4420 11.4420 11.4698 11.4698 11.4943 11.4943 12.3810 12.3810 12.3869 12.3869 k = 0.4018 0.4018 0.4018 ( 4158 PWs) bands (ev): -31.2736 -31.2736 -31.2669 -31.2669 -31.2669 -31.2669 -14.1330 -14.1330 -14.1321 -14.1321 -12.6970 -12.6970 -12.6916 -12.6916 -12.6749 -12.6749 -12.4343 -12.4343 -12.3095 -12.3095 -12.2180 -12.2180 -12.2101 -12.2101 -11.9661 -11.9661 -11.9551 -11.9551 -11.1599 -11.1599 -11.1528 -11.1528 -11.1507 -11.1507 -2.2525 -2.2525 -0.7177 -0.7177 6.0138 6.0138 6.5196 6.5196 6.5933 6.5933 6.8678 6.8678 7.6115 7.6115 7.6544 7.6544 11.4140 11.4140 11.4411 11.4411 11.4652 11.4652 12.4072 12.4072 12.4114 12.4114 k = 0.4107 0.4107 0.4107 ( 4155 PWs) bands (ev): -31.2728 -31.2728 -31.2673 -31.2673 -31.2673 -31.2673 -14.1328 -14.1328 -14.1320 -14.1320 -12.6977 -12.6977 -12.6928 -12.6928 -12.6795 -12.6795 -12.4368 -12.4368 -12.3099 -12.3099 -12.2153 -12.2153 -12.2088 -12.2088 -11.9628 -11.9628 -11.9537 -11.9537 -11.1604 -11.1604 -11.1529 -11.1529 -11.1511 -11.1511 -2.2380 -2.2380 -0.7165 -0.7165 6.0361 6.0361 6.5183 6.5183 6.5825 6.5825 6.8265 6.8265 7.5956 7.5956 7.6356 7.6356 11.3879 11.3879 11.4129 11.4129 11.4370 11.4370 12.4320 12.4321 12.4345 12.4345 k = 0.4196 0.4196 0.4196 ( 4164 PWs) bands (ev): -31.2721 -31.2721 -31.2676 -31.2676 -31.2676 -31.2676 -14.1325 -14.1325 -14.1319 -14.1319 -12.6983 -12.6983 -12.6940 -12.6940 -12.6838 -12.6838 -12.4392 -12.4392 -12.3103 -12.3103 -12.2130 -12.2130 -12.2076 -12.2076 -11.9598 -11.9598 -11.9524 -11.9524 -11.1608 -11.1608 -11.1531 -11.1531 -11.1515 -11.1515 -2.2248 -2.2248 -0.7156 -0.7156 6.0601 6.0601 6.5180 6.5180 6.5727 6.5727 6.7861 6.7861 7.5814 7.5814 7.6174 7.6174 11.3638 11.3638 11.3860 11.3860 11.4103 11.4103 12.4549 12.4549 12.4559 12.4559 k = 0.4286 0.4286 0.4286 ( 4164 PWs) bands (ev): -31.2715 -31.2715 -31.2679 -31.2679 -31.2679 -31.2679 -14.1323 -14.1323 -14.1318 -14.1318 -12.6990 -12.6990 -12.6950 -12.6950 -12.6876 -12.6876 -12.4412 -12.4412 -12.3106 -12.3106 -12.2108 -12.2108 -12.2065 -12.2065 -11.9570 -11.9570 -11.9511 -11.9511 -11.1612 -11.1612 -11.1532 -11.1532 -11.1519 -11.1519 -2.2128 -2.2128 -0.7149 -0.7149 6.0856 6.0856 6.5184 6.5184 6.5639 6.5639 6.7467 6.7467 7.5688 7.5688 7.6000 7.6000 11.3421 11.3421 11.3608 11.3608 11.3854 11.3854 12.4752 12.4752 12.4755 12.4755 k = 0.4375 0.4375 0.4375 ( 4164 PWs) bands (ev): -31.2709 -31.2709 -31.2682 -31.2682 -31.2682 -31.2682 -14.1321 -14.1321 -14.1317 -14.1317 -12.6997 -12.6997 -12.6959 -12.6959 -12.6910 -12.6910 -12.4431 -12.4431 -12.3108 -12.3108 -12.2088 -12.2088 -12.2056 -12.2056 -11.9545 -11.9545 -11.9500 -11.9500 -11.1615 -11.1615 -11.1533 -11.1533 -11.1523 -11.1523 -2.2022 -2.2022 -0.7145 -0.7145 6.1122 6.1122 6.5194 6.5194 6.5561 6.5561 6.7084 6.7084 7.5578 7.5578 7.5836 7.5836 11.3226 11.3226 11.3377 11.3377 11.3628 11.3628 12.4923 12.4923 12.4938 12.4938 k = 0.4464 0.4464 0.4464 ( 4176 PWs) bands (ev): -31.2704 -31.2704 -31.2684 -31.2684 -31.2684 -31.2684 -14.1320 -14.1320 -14.1317 -14.1317 -12.7005 -12.7005 -12.6968 -12.6968 -12.6938 -12.6938 -12.4447 -12.4447 -12.3109 -12.3109 -12.2071 -12.2071 -12.2048 -12.2048 -11.9523 -11.9523 -11.9490 -11.9490 -11.1619 -11.1619 -11.1533 -11.1533 -11.1526 -11.1526 -2.1929 -2.1929 -0.7141 -0.7141 6.1394 6.1394 6.5207 6.5207 6.5494 6.5494 6.6715 6.6715 7.5484 7.5484 7.5686 7.5686 11.3056 11.3056 11.3171 11.3171 11.3427 11.3427 12.5071 12.5071 12.5095 12.5095 k = 0.4554 0.4554 0.4554 ( 4176 PWs) bands (ev): -31.2700 -31.2700 -31.2686 -31.2686 -31.2686 -31.2686 -14.1318 -14.1318 -14.1316 -14.1316 -12.7014 -12.7014 -12.6976 -12.6976 -12.6959 -12.6959 -12.4461 -12.4461 -12.3110 -12.3110 -12.2056 -12.2056 -12.2040 -12.2040 -11.9504 -11.9504 -11.9481 -11.9481 -11.1621 -11.1621 -11.1534 -11.1534 -11.1529 -11.1529 -2.1849 -2.1849 -0.7139 -0.7139 6.1665 6.1665 6.5222 6.5222 6.5437 6.5437 6.6365 6.6365 7.5405 7.5405 7.5553 7.5553 11.2910 11.2910 11.2992 11.2992 11.3255 11.3255 12.5196 12.5223 12.5227 12.5394 k = 0.4643 0.4643 0.4643 ( 4182 PWs) bands (ev): -31.2697 -31.2697 -31.2688 -31.2688 -31.2688 -31.2688 -14.1317 -14.1317 -14.1315 -14.1315 -12.7025 -12.7025 -12.6982 -12.6982 -12.6974 -12.6974 -12.4472 -12.4472 -12.3111 -12.3111 -12.2045 -12.2045 -12.2034 -12.2034 -11.9488 -11.9488 -11.9474 -11.9474 -11.1624 -11.1624 -11.1534 -11.1534 -11.1531 -11.1531 -2.1784 -2.1784 -0.7138 -0.7138 6.1928 6.1928 6.5238 6.5238 6.5390 6.5390 6.6041 6.6041 7.5341 7.5341 7.5440 7.5440 11.2790 11.2790 11.2843 11.2843 11.3112 11.3112 12.5296 12.5297 12.5331 12.5331 k = 0.4732 0.4732 0.4732 ( 4194 PWs) bands (ev): -31.2694 -31.2694 -31.2689 -31.2689 -31.2689 -31.2689 -14.1316 -14.1316 -14.1315 -14.1315 -12.7037 -12.7037 -12.6987 -12.6987 -12.6983 -12.6983 -12.4481 -12.4481 -12.3112 -12.3112 -12.2036 -12.2036 -12.2030 -12.2030 -11.9476 -11.9476 -11.9468 -11.9468 -11.1626 -11.1626 -11.1535 -11.1535 -11.1533 -11.1533 -2.1733 -2.1733 -0.7138 -0.7138 6.2170 6.2170 6.5251 6.5251 6.5353 6.5353 6.5753 6.5753 7.5291 7.5291 7.5349 7.5349 11.2695 11.2695 11.2726 11.2726 11.2999 11.2999 12.5375 12.5377 12.5378 12.5398 k = 0.4821 0.4821 0.4821 ( 4224 PWs) bands (ev): -31.2693 -31.2693 -31.2690 -31.2690 -31.2690 -31.2690 -14.1315 -14.1315 -14.1315 -14.1315 -12.7047 -12.7047 -12.6991 -12.6991 -12.6990 -12.6990 -12.4489 -12.4489 -12.3113 -12.3113 -12.2030 -12.2030 -12.2027 -12.2027 -11.9468 -11.9468 -11.9465 -11.9465 -11.1627 -11.1627 -11.1535 -11.1535 -11.1534 -11.1534 -2.1697 -2.1697 -0.7138 -0.7138 6.2372 6.2372 6.5262 6.5262 6.5327 6.5327 6.5519 6.5519 7.5256 7.5256 7.5282 7.5282 11.2627 11.2627 11.2641 11.2641 11.2919 11.2919 12.5366 12.5366 12.5433 12.5464 k = 0.4911 0.4911 0.4911 ( 4224 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1315 -14.1315 -14.1315 -14.1315 -12.7053 -12.7053 -12.6993 -12.6993 -12.6993 -12.6993 -12.4492 -12.4492 -12.3113 -12.3113 -12.2026 -12.2026 -12.2025 -12.2025 -11.9463 -11.9463 -11.9462 -11.9462 -11.1628 -11.1628 -11.1535 -11.1535 -11.1535 -11.1535 -2.1675 -2.1675 -0.7137 -0.7137 6.2510 6.2510 6.5269 6.5269 6.5311 6.5311 6.5362 6.5362 7.5235 7.5235 7.5241 7.5241 11.2586 11.2586 11.2590 11.2590 11.2870 11.2870 12.5357 12.5357 12.5465 12.5476 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1315 -14.1315 -14.1315 -14.1315 -12.7055 -12.7055 -12.6993 -12.6993 -12.6993 -12.6993 -12.4494 -12.4494 -12.3113 -12.3113 -12.2024 -12.2024 -12.2024 -12.2024 -11.9461 -11.9461 -11.9461 -11.9461 -11.1629 -11.1629 -11.1535 -11.1535 -11.1535 -11.1535 -2.1667 -2.1667 -0.7137 -0.7137 6.2560 6.2560 6.5271 6.5271 6.5306 6.5306 6.5306 6.5306 7.5228 7.5228 7.5228 7.5228 11.2572 11.2572 11.2572 11.2572 11.2854 11.2854 12.5354 12.5354 12.5473 12.5474 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1315 -14.1315 -14.1315 -14.1315 -12.7055 -12.7055 -12.6993 -12.6993 -12.6993 -12.6993 -12.4494 -12.4494 -12.3113 -12.3113 -12.2024 -12.2024 -12.2024 -12.2024 -11.9461 -11.9461 -11.9461 -11.9461 -11.1629 -11.1629 -11.1535 -11.1535 -11.1535 -11.1535 -2.1667 -2.1667 -0.7137 -0.7137 6.2560 6.2560 6.5271 6.5271 6.5306 6.5306 6.5306 6.5306 7.5228 7.5228 7.5228 7.5228 11.2572 11.2572 11.2572 11.2572 11.2854 11.2854 12.5354 12.5354 12.5475 12.5487 k = 0.4891 0.5000 0.4891 ( 4224 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1315 -14.1315 -14.1315 -14.1315 -12.7053 -12.7053 -12.6993 -12.6993 -12.6992 -12.6992 -12.4492 -12.4492 -12.3113 -12.3113 -12.2026 -12.2026 -12.2025 -12.2025 -11.9463 -11.9463 -11.9462 -11.9462 -11.1628 -11.1628 -11.1535 -11.1535 -11.1535 -11.1535 -2.1675 -2.1675 -0.7137 -0.7137 6.2510 6.2510 6.5266 6.5266 6.5316 6.5316 6.5359 6.5359 7.5235 7.5235 7.5241 7.5241 11.2585 11.2585 11.2590 11.2590 11.2870 11.2870 12.5357 12.5357 12.5471 12.5475 k = 0.4783 0.5000 0.4783 ( 4224 PWs) bands (ev): -31.2692 -31.2692 -31.2691 -31.2691 -31.2690 -31.2690 -14.1315 -14.1315 -14.1315 -14.1315 -12.7047 -12.7047 -12.6992 -12.6992 -12.6989 -12.6989 -12.4489 -12.4489 -12.3113 -12.3113 -12.2030 -12.2030 -12.2027 -12.2027 -11.9469 -11.9469 -11.9464 -11.9464 -11.1627 -11.1627 -11.1535 -11.1535 -11.1534 -11.1534 -2.1696 -2.1696 -0.7138 -0.7138 6.2373 6.2373 6.5242 6.5242 6.5357 6.5357 6.5507 6.5507 7.5256 7.5256 7.5280 7.5280 11.2624 11.2624 11.2642 11.2642 11.2918 11.2918 12.5365 12.5365 12.5432 12.5451 k = 0.4674 0.5000 0.4674 ( 4196 PWs) bands (ev): -31.2693 -31.2693 -31.2691 -31.2691 -31.2688 -31.2688 -14.1316 -14.1316 -14.1315 -14.1315 -12.7036 -12.7036 -12.6988 -12.6988 -12.6982 -12.6982 -12.4481 -12.4481 -12.3112 -12.3112 -12.2036 -12.2036 -12.2030 -12.2030 -11.9479 -11.9479 -11.9466 -11.9466 -11.1626 -11.1626 -11.1535 -11.1535 -11.1533 -11.1533 -2.1732 -2.1732 -0.7138 -0.7138 6.2171 6.2171 6.5197 6.5197 6.5431 6.5431 6.5727 6.5727 7.5292 7.5292 7.5345 7.5345 11.2687 11.2687 11.2728 11.2728 11.3000 11.3000 12.5376 12.5378 12.5381 12.5417 k = 0.4565 0.5000 0.4565 ( 4184 PWs) bands (ev): -31.2695 -31.2695 -31.2691 -31.2691 -31.2686 -31.2686 -14.1317 -14.1317 -14.1315 -14.1315 -12.7024 -12.7024 -12.6985 -12.6985 -12.6973 -12.6973 -12.4473 -12.4473 -12.3111 -12.3111 -12.2045 -12.2045 -12.2034 -12.2034 -11.9492 -11.9492 -11.9470 -11.9470 -11.1624 -11.1624 -11.1534 -11.1534 -11.1531 -11.1531 -2.1782 -2.1782 -0.7138 -0.7138 6.1928 6.1928 6.5135 6.5135 6.5535 6.5535 6.5996 6.5996 7.5343 7.5343 7.5434 7.5434 11.2774 11.2774 11.2845 11.2845 11.3116 11.3116 12.5301 12.5302 12.5343 12.5344 k = 0.4457 0.5000 0.4457 ( 4172 PWs) bands (ev): -31.2698 -31.2698 -31.2691 -31.2691 -31.2684 -31.2684 -14.1318 -14.1318 -14.1316 -14.1316 -12.7012 -12.7012 -12.6980 -12.6980 -12.6958 -12.6958 -12.4461 -12.4461 -12.3110 -12.3110 -12.2056 -12.2056 -12.2039 -12.2039 -11.9509 -11.9509 -11.9475 -11.9475 -11.1622 -11.1622 -11.1534 -11.1534 -11.1529 -11.1529 -2.1847 -2.1847 -0.7139 -0.7139 6.1660 6.1660 6.5058 6.5058 6.5669 6.5669 6.6297 6.6297 7.5407 7.5407 7.5546 7.5546 11.2882 11.2882 11.2992 11.2992 11.3266 11.3266 12.5203 12.5206 12.5248 12.5251 k = 0.4348 0.5000 0.4348 ( 4164 PWs) bands (ev): -31.2701 -31.2701 -31.2691 -31.2691 -31.2681 -31.2681 -14.1320 -14.1320 -14.1316 -14.1316 -12.6999 -12.6999 -12.6975 -12.6975 -12.6938 -12.6938 -12.4447 -12.4447 -12.3109 -12.3109 -12.2071 -12.2071 -12.2046 -12.2046 -11.9530 -11.9530 -11.9481 -11.9481 -11.1619 -11.1619 -11.1533 -11.1533 -11.1526 -11.1526 -2.1924 -2.1924 -0.7140 -0.7140 6.1381 6.1381 6.4968 6.4968 6.5832 6.5832 6.6618 6.6618 7.5485 7.5485 7.5678 7.5678 11.3012 11.3012 11.3167 11.3167 11.3451 11.3451 12.5084 12.5084 12.5125 12.5125 k = 0.4239 0.5000 0.4239 ( 4168 PWs) bands (ev): -31.2705 -31.2705 -31.2691 -31.2691 -31.2678 -31.2678 -14.1321 -14.1321 -14.1317 -14.1317 -12.6988 -12.6988 -12.6969 -12.6969 -12.6912 -12.6912 -12.4432 -12.4432 -12.3108 -12.3108 -12.2088 -12.2088 -12.2054 -12.2054 -11.9555 -11.9555 -11.9489 -11.9489 -11.1615 -11.1615 -11.1532 -11.1532 -11.1523 -11.1523 -2.2015 -2.2015 -0.7143 -0.7143 6.1098 6.1098 6.4869 6.4869 6.6024 6.6024 6.6953 6.6953 7.5576 7.5576 7.5829 7.5829 11.3160 11.3160 11.3369 11.3369 11.3668 11.3668 12.4946 12.4946 12.4974 12.4974 k = 0.4130 0.5000 0.4130 ( 4160 PWs) bands (ev): -31.2709 -31.2709 -31.2691 -31.2691 -31.2674 -31.2674 -14.1323 -14.1323 -14.1318 -14.1318 -12.6976 -12.6976 -12.6962 -12.6962 -12.6881 -12.6881 -12.4413 -12.4413 -12.3106 -12.3106 -12.2107 -12.2107 -12.2063 -12.2063 -11.9583 -11.9583 -11.9497 -11.9497 -11.1612 -11.1612 -11.1531 -11.1531 -11.1520 -11.1520 -2.2118 -2.2118 -0.7146 -0.7146 6.0818 6.0818 6.4762 6.4762 6.6244 6.6244 6.7295 6.7295 7.5681 7.5681 7.5996 7.5996 11.3326 11.3326 11.3598 11.3598 11.3914 11.3914 12.4787 12.4787 12.4796 12.4796 k = 0.4022 0.5000 0.4022 ( 4160 PWs) bands (ev): -31.2713 -31.2713 -31.2691 -31.2691 -31.2669 -31.2669 -14.1325 -14.1325 -14.1319 -14.1319 -12.6965 -12.6965 -12.6954 -12.6954 -12.6845 -12.6845 -12.4392 -12.4392 -12.3104 -12.3104 -12.2128 -12.2128 -12.2074 -12.2074 -11.9613 -11.9613 -11.9507 -11.9507 -11.1608 -11.1608 -11.1530 -11.1530 -11.1516 -11.1516 -2.2234 -2.2234 -0.7151 -0.7151 6.0543 6.0543 6.4652 6.4652 6.6490 6.6490 6.7642 6.7642 7.5797 7.5797 7.6178 7.6178 11.3509 11.3509 11.3854 11.3854 11.4186 11.4186 12.4576 12.4576 12.4624 12.4624 k = 0.3913 0.5000 0.3913 ( 4158 PWs) bands (ev): -31.2718 -31.2718 -31.2691 -31.2691 -31.2664 -31.2664 -14.1327 -14.1327 -14.1320 -14.1320 -12.6954 -12.6954 -12.6945 -12.6945 -12.6805 -12.6805 -12.4370 -12.4370 -12.3101 -12.3101 -12.2152 -12.2152 -12.2085 -12.2085 -11.9647 -11.9647 -11.9518 -11.9518 -11.1603 -11.1603 -11.1529 -11.1529 -11.1512 -11.1512 -2.2361 -2.2361 -0.7158 -0.7158 6.0278 6.0278 6.4539 6.4539 6.6763 6.6763 6.7991 6.7991 7.5926 7.5926 7.6372 7.6372 11.3707 11.3707 11.4136 11.4136 11.4480 11.4480 12.4325 12.4325 12.4444 12.4444 k = 0.3804 0.5000 0.3804 ( 4154 PWs) bands (ev): -31.2724 -31.2724 -31.2691 -31.2691 -31.2659 -31.2659 -14.1330 -14.1330 -14.1321 -14.1321 -12.6943 -12.6943 -12.6935 -12.6935 -12.6762 -12.6762 -12.4344 -12.4344 -12.3097 -12.3097 -12.2177 -12.2177 -12.2098 -12.2098 -11.9683 -11.9683 -11.9529 -11.9529 -11.1599 -11.1599 -11.1527 -11.1527 -11.1507 -11.1507 -2.2499 -2.2499 -0.7166 -0.7166 6.0025 6.0025 6.4428 6.4428 6.7061 6.7061 6.8341 6.8341 7.6066 7.6066 7.6578 7.6578 11.3918 11.3918 11.4444 11.4444 11.4791 11.4791 12.4037 12.4037 12.4255 12.4255 k = 0.3696 0.5000 0.3696 ( 4158 PWs) bands (ev): -31.2730 -31.2730 -31.2691 -31.2691 -31.2653 -31.2653 -14.1332 -14.1332 -14.1322 -14.1322 -12.6931 -12.6931 -12.6924 -12.6924 -12.6717 -12.6717 -12.4317 -12.4317 -12.3093 -12.3093 -12.2205 -12.2205 -12.2112 -12.2112 -11.9721 -11.9721 -11.9542 -11.9542 -11.1594 -11.1594 -11.1526 -11.1526 -11.1503 -11.1503 -2.2647 -2.2647 -0.7177 -0.7177 5.9786 5.9786 6.4320 6.4320 6.7384 6.7384 6.8691 6.8691 7.6216 7.6216 7.6792 7.6792 11.4139 11.4139 11.4777 11.4777 11.5116 11.5116 12.3710 12.3710 12.4059 12.4059 k = 0.3587 0.5000 0.3587 ( 4162 PWs) bands (ev): -31.2737 -31.2737 -31.2691 -31.2691 -31.2647 -31.2647 -14.1335 -14.1335 -14.1323 -14.1323 -12.6920 -12.6920 -12.6911 -12.6911 -12.6669 -12.6669 -12.4288 -12.4288 -12.3087 -12.3087 -12.2234 -12.2234 -12.2127 -12.2127 -11.9761 -11.9761 -11.9556 -11.9556 -11.1589 -11.1589 -11.1525 -11.1525 -11.1498 -11.1498 -2.2804 -2.2804 -0.7191 -0.7191 5.9562 5.9562 6.4218 6.4218 6.7729 6.7729 6.9038 6.9038 7.6376 7.6376 7.7014 7.7014 11.4369 11.4369 11.5133 11.5133 11.5452 11.5452 12.3342 12.3342 12.3859 12.3859 k = 0.3478 0.5000 0.3478 ( 4156 PWs) bands (ev): -31.2743 -31.2743 -31.2691 -31.2691 -31.2641 -31.2641 -14.1337 -14.1337 -14.1324 -14.1324 -12.6908 -12.6908 -12.6897 -12.6897 -12.6620 -12.6620 -12.4257 -12.4257 -12.3080 -12.3080 -12.2264 -12.2264 -12.2143 -12.2143 -11.9803 -11.9803 -11.9571 -11.9571 -11.1585 -11.1585 -11.1523 -11.1523 -11.1494 -11.1494 -2.2970 -2.2970 -0.7208 -0.7208 5.9354 5.9354 6.4124 6.4124 6.8097 6.8097 6.9384 6.9384 7.6543 7.6543 7.7242 7.7242 11.4603 11.4603 11.5511 11.5511 11.5796 11.5796 12.2935 12.2935 12.3659 12.3659 k = 0.3370 0.5000 0.3370 ( 4146 PWs) bands (ev): -31.2750 -31.2750 -31.2692 -31.2692 -31.2634 -31.2634 -14.1340 -14.1340 -14.1326 -14.1326 -12.6896 -12.6896 -12.6882 -12.6882 -12.6569 -12.6569 -12.4223 -12.4223 -12.3071 -12.3071 -12.2296 -12.2296 -12.2159 -12.2159 -11.9847 -11.9847 -11.9587 -11.9587 -11.1580 -11.1580 -11.1521 -11.1521 -11.1489 -11.1489 -2.3144 -2.3144 -0.7228 -0.7228 5.9163 5.9163 6.4042 6.4042 6.8486 6.8486 6.9727 6.9727 7.6718 7.6718 7.7476 7.7476 11.4839 11.4839 11.5905 11.5905 11.6151 11.6151 12.2488 12.2488 12.3460 12.3460 k = 0.3261 0.5000 0.3261 ( 4150 PWs) bands (ev): -31.2758 -31.2758 -31.2692 -31.2692 -31.2627 -31.2627 -14.1342 -14.1342 -14.1327 -14.1327 -12.6884 -12.6884 -12.6866 -12.6866 -12.6518 -12.6518 -12.4189 -12.4189 -12.3061 -12.3061 -12.2328 -12.2328 -12.2177 -12.2177 -11.9891 -11.9891 -11.9603 -11.9603 -11.1575 -11.1575 -11.1519 -11.1519 -11.1485 -11.1485 -2.3325 -2.3325 -0.7252 -0.7252 5.8989 5.8989 6.3973 6.3973 6.8893 6.8893 7.0066 7.0066 7.6898 7.6898 7.7715 7.7715 11.5072 11.5072 11.6302 11.6302 11.6524 11.6524 12.2004 12.2004 12.3266 12.3266 k = 0.3152 0.5000 0.3152 ( 4146 PWs) bands (ev): -31.2765 -31.2765 -31.2692 -31.2692 -31.2620 -31.2620 -14.1344 -14.1344 -14.1329 -14.1329 -12.6873 -12.6873 -12.6848 -12.6848 -12.6467 -12.6467 -12.4153 -12.4153 -12.3050 -12.3050 -12.2360 -12.2360 -12.2195 -12.2195 -11.9937 -11.9937 -11.9621 -11.9621 -11.1570 -11.1570 -11.1518 -11.1518 -11.1481 -11.1481 -2.3511 -2.3511 -0.7279 -0.7279 5.8832 5.8832 6.3921 6.3921 6.9319 6.9319 7.0402 7.0402 7.7083 7.7083 7.7958 7.7958 11.5296 11.5296 11.6683 11.6683 11.6933 11.6933 12.1485 12.1485 12.3079 12.3079 k = 0.3043 0.5000 0.3043 ( 4156 PWs) bands (ev): -31.2773 -31.2773 -31.2692 -31.2692 -31.2612 -31.2612 -14.1347 -14.1347 -14.1330 -14.1330 -12.6861 -12.6861 -12.6831 -12.6831 -12.6417 -12.6417 -12.4116 -12.4116 -12.3037 -12.3037 -12.2393 -12.2393 -12.2215 -12.2215 -11.9984 -11.9984 -11.9639 -11.9639 -11.1565 -11.1565 -11.1516 -11.1516 -11.1477 -11.1477 -2.3703 -2.3703 -0.7310 -0.7310 5.8692 5.8692 6.3886 6.3886 6.9760 6.9760 7.0735 7.0735 7.7270 7.7270 7.8203 7.8203 11.5508 11.5508 11.7036 11.7036 11.7383 11.7383 12.0933 12.0933 12.2901 12.2901 k = 0.2935 0.5000 0.2935 ( 4156 PWs) bands (ev): -31.2781 -31.2781 -31.2692 -31.2692 -31.2605 -31.2605 -14.1349 -14.1349 -14.1332 -14.1332 -12.6850 -12.6850 -12.6811 -12.6811 -12.6367 -12.6367 -12.4077 -12.4077 -12.3023 -12.3023 -12.2424 -12.2424 -12.2235 -12.2235 -12.0030 -12.0030 -11.9658 -11.9658 -11.1560 -11.1560 -11.1514 -11.1514 -11.1473 -11.1473 -2.3899 -2.3899 -0.7345 -0.7345 5.8567 5.8567 6.3873 6.3873 7.0217 7.0217 7.1064 7.1064 7.7459 7.7459 7.8452 7.8452 11.5700 11.5700 11.7367 11.7367 11.7868 11.7868 12.0352 12.0352 12.2736 12.2736 k = 0.2826 0.5000 0.2826 ( 4166 PWs) bands (ev): -31.2790 -31.2790 -31.2692 -31.2692 -31.2597 -31.2597 -14.1351 -14.1351 -14.1333 -14.1333 -12.6839 -12.6839 -12.6791 -12.6791 -12.6319 -12.6319 -12.4039 -12.4039 -12.3008 -12.3008 -12.2454 -12.2454 -12.2256 -12.2256 -12.0077 -12.0077 -11.9678 -11.9678 -11.1556 -11.1556 -11.1512 -11.1512 -11.1470 -11.1470 -2.4099 -2.4099 -0.7383 -0.7383 5.8457 5.8457 6.3882 6.3882 7.0686 7.0686 7.1388 7.1388 7.7647 7.7647 7.8703 7.8703 11.5866 11.5866 11.7681 11.7681 11.8376 11.8376 11.9746 11.9746 12.2585 12.2585 k = 0.2717 0.5000 0.2717 ( 4170 PWs) bands (ev): -31.2798 -31.2798 -31.2693 -31.2693 -31.2589 -31.2589 -14.1353 -14.1353 -14.1335 -14.1335 -12.6829 -12.6829 -12.6771 -12.6771 -12.6273 -12.6273 -12.3999 -12.3999 -12.2993 -12.2993 -12.2480 -12.2480 -12.2278 -12.2278 -12.0125 -12.0125 -11.9699 -11.9699 -11.1551 -11.1551 -11.1510 -11.1510 -11.1467 -11.1467 -2.4301 -2.4301 -0.7426 -0.7426 5.8359 5.8359 6.3918 6.3918 7.1166 7.1166 7.1709 7.1709 7.7834 7.7834 7.8955 7.8955 11.6002 11.6002 11.7981 11.7981 11.8887 11.8887 11.9138 11.9138 12.2448 12.2448 k = 0.2609 0.5000 0.2609 ( 4166 PWs) bands (ev): -31.2806 -31.2806 -31.2693 -31.2693 -31.2581 -31.2581 -14.1355 -14.1355 -14.1336 -14.1336 -12.6819 -12.6819 -12.6748 -12.6748 -12.6228 -12.6228 -12.3959 -12.3959 -12.2978 -12.2978 -12.2502 -12.2502 -12.2299 -12.2299 -12.0171 -12.0171 -11.9720 -11.9720 -11.1547 -11.1547 -11.1507 -11.1507 -11.1465 -11.1465 -2.4504 -2.4504 -0.7472 -0.7472 5.8273 5.8273 6.3981 6.3981 7.1654 7.1654 7.2025 7.2025 7.8018 7.8018 7.9209 7.9209 11.6102 11.6102 11.8263 11.8263 11.8460 11.8460 11.9470 11.9470 12.2328 12.2328 k = 0.2500 0.5000 0.2500 ( 4178 PWs) bands (ev): -31.2815 -31.2815 -31.2693 -31.2693 -31.2573 -31.2573 -14.1357 -14.1357 -14.1338 -14.1338 -12.6810 -12.6810 -12.6726 -12.6726 -12.6187 -12.6187 -12.3920 -12.3920 -12.2966 -12.2966 -12.2518 -12.2518 -12.2322 -12.2322 -12.0218 -12.0218 -11.9742 -11.9742 -11.1543 -11.1543 -11.1505 -11.1505 -11.1463 -11.1463 -2.4707 -2.4707 -0.7522 -0.7522 5.8197 5.8197 6.4075 6.4075 7.2147 7.2147 7.2338 7.2338 7.8198 7.8198 7.9465 7.9465 11.6161 11.6161 11.7798 11.7798 11.8535 11.8535 12.0034 12.0034 12.2222 12.2222 k = 0.2391 0.5000 0.2391 ( 4166 PWs) bands (ev): -31.2823 -31.2823 -31.2693 -31.2693 -31.2565 -31.2565 -14.1358 -14.1358 -14.1340 -14.1340 -12.6801 -12.6801 -12.6702 -12.6702 -12.6148 -12.6148 -12.3881 -12.3881 -12.2957 -12.2957 -12.2525 -12.2525 -12.2344 -12.2344 -12.0265 -12.0265 -11.9764 -11.9764 -11.1539 -11.1539 -11.1503 -11.1503 -11.1462 -11.1462 -2.4910 -2.4910 -0.7575 -0.7575 5.8128 5.8128 6.4199 6.4199 7.2608 7.2608 7.2684 7.2684 7.8373 7.8373 7.9721 7.9721 11.6177 11.6177 11.7129 11.7129 11.8784 11.8784 12.0616 12.0616 12.2129 12.2129 k = 0.2283 0.5000 0.2283 ( 4158 PWs) bands (ev): -31.2832 -31.2832 -31.2693 -31.2693 -31.2557 -31.2557 -14.1360 -14.1360 -14.1341 -14.1341 -12.6794 -12.6794 -12.6677 -12.6677 -12.6111 -12.6111 -12.3842 -12.3842 -12.2954 -12.2954 -12.2523 -12.2523 -12.2365 -12.2365 -12.0310 -12.0310 -11.9786 -11.9786 -11.1536 -11.1536 -11.1500 -11.1500 -11.1461 -11.1461 -2.5112 -2.5112 -0.7631 -0.7631 5.8066 5.8066 6.4357 6.4357 7.2927 7.2927 7.3167 7.3167 7.8541 7.8541 7.9977 7.9977 11.6134 11.6134 11.6469 11.6469 11.9008 11.9008 12.1211 12.1211 12.2048 12.2048 k = 0.2174 0.5000 0.2174 ( 4162 PWs) bands (ev): -31.2840 -31.2840 -31.2693 -31.2693 -31.2549 -31.2549 -14.1361 -14.1361 -14.1343 -14.1343 -12.6788 -12.6788 -12.6652 -12.6652 -12.6079 -12.6079 -12.3804 -12.3804 -12.2958 -12.2958 -12.2514 -12.2514 -12.2384 -12.2384 -12.0356 -12.0356 -11.9809 -11.9809 -11.1533 -11.1533 -11.1498 -11.1498 -11.1460 -11.1460 -2.5311 -2.5311 -0.7690 -0.7690 5.8008 5.8008 6.4548 6.4548 7.3220 7.3220 7.3669 7.3669 7.8701 7.8701 8.0233 8.0233 11.5730 11.5730 11.6124 11.6124 11.9196 11.9196 12.1816 12.1816 12.1976 12.1976 k = 0.2065 0.5000 0.2065 ( 4170 PWs) bands (ev): -31.2848 -31.2848 -31.2694 -31.2694 -31.2541 -31.2541 -14.1362 -14.1362 -14.1344 -14.1344 -12.6783 -12.6783 -12.6626 -12.6626 -12.6049 -12.6049 -12.3767 -12.3767 -12.2967 -12.2967 -12.2500 -12.2500 -12.2396 -12.2396 -12.0401 -12.0401 -11.9832 -11.9832 -11.1530 -11.1530 -11.1495 -11.1495 -11.1460 -11.1460 -2.5507 -2.5507 -0.7751 -0.7751 5.7953 5.7953 6.4773 6.4773 7.3503 7.3503 7.4172 7.4172 7.8854 7.8854 8.0488 8.0488 11.5060 11.5060 11.6006 11.6006 11.9328 11.9328 12.1900 12.1900 12.2117 12.2117 k = 0.1957 0.5000 0.1957 ( 4162 PWs) bands (ev): -31.2856 -31.2856 -31.2694 -31.2694 -31.2533 -31.2533 -14.1363 -14.1363 -14.1346 -14.1346 -12.6778 -12.6778 -12.6600 -12.6600 -12.6023 -12.6023 -12.3731 -12.3731 -12.2981 -12.2981 -12.2495 -12.2495 -12.2390 -12.2390 -12.0445 -12.0445 -11.9855 -11.9855 -11.1528 -11.1528 -11.1493 -11.1493 -11.1461 -11.1461 -2.5699 -2.5699 -0.7814 -0.7814 5.7900 5.7900 6.5031 6.5031 7.3776 7.3776 7.4670 7.4670 7.8998 7.8998 8.0742 8.0742 11.4384 11.4384 11.5866 11.5866 11.9368 11.9368 12.1806 12.1806 12.1833 12.1833 k = 0.1848 0.5000 0.1848 ( 4170 PWs) bands (ev): -31.2864 -31.2864 -31.2694 -31.2694 -31.2526 -31.2526 -14.1363 -14.1363 -14.1347 -14.1347 -12.6775 -12.6775 -12.6573 -12.6573 -12.6000 -12.6000 -12.3697 -12.3697 -12.2998 -12.2998 -12.2505 -12.2505 -12.2361 -12.2361 -12.0489 -12.0489 -11.9879 -11.9879 -11.1526 -11.1526 -11.1490 -11.1490 -11.1462 -11.1462 -2.5886 -2.5886 -0.7878 -0.7878 5.7849 5.7849 6.5320 6.5320 7.4037 7.4037 7.5163 7.5163 7.9133 7.9133 8.0995 8.0995 11.3713 11.3713 11.5698 11.5698 11.9270 11.9270 12.1601 12.1601 12.1766 12.1766 k = 0.1739 0.5000 0.1739 ( 4152 PWs) bands (ev): -31.2872 -31.2872 -31.2694 -31.2694 -31.2518 -31.2518 -14.1364 -14.1364 -14.1349 -14.1349 -12.6773 -12.6773 -12.6545 -12.6545 -12.5980 -12.5980 -12.3663 -12.3663 -12.3016 -12.3016 -12.2524 -12.2524 -12.2316 -12.2316 -12.0532 -12.0532 -11.9902 -11.9902 -11.1524 -11.1524 -11.1487 -11.1487 -11.1463 -11.1463 -2.6067 -2.6067 -0.7942 -0.7942 5.7799 5.7799 6.5640 6.5640 7.4285 7.4285 7.5646 7.5646 7.9259 7.9259 8.1245 8.1245 11.3052 11.3052 11.5507 11.5507 11.9013 11.9013 12.1526 12.1526 12.1709 12.1709 k = 0.1630 0.5000 0.1630 ( 4152 PWs) bands (ev): -31.2879 -31.2879 -31.2694 -31.2694 -31.2511 -31.2511 -14.1364 -14.1364 -14.1350 -14.1350 -12.6772 -12.6772 -12.6517 -12.6517 -12.5963 -12.5963 -12.3632 -12.3632 -12.3035 -12.3035 -12.2548 -12.2548 -12.2262 -12.2262 -12.0575 -12.0575 -11.9925 -11.9925 -11.1523 -11.1523 -11.1484 -11.1484 -11.1464 -11.1464 -2.6241 -2.6241 -0.8007 -0.8007 5.7749 5.7749 6.5988 6.5988 7.4518 7.4518 7.6117 7.6117 7.9375 7.9375 8.1491 8.1491 11.2405 11.2405 11.5298 11.5298 11.8623 11.8623 12.1517 12.1517 12.1703 12.1703 k = 0.1522 0.5000 0.1522 ( 4164 PWs) bands (ev): -31.2886 -31.2886 -31.2694 -31.2694 -31.2505 -31.2505 -14.1364 -14.1364 -14.1352 -14.1352 -12.6772 -12.6772 -12.6489 -12.6489 -12.5949 -12.5949 -12.3603 -12.3603 -12.3054 -12.3054 -12.2573 -12.2573 -12.2203 -12.2203 -12.0617 -12.0617 -11.9947 -11.9947 -11.1523 -11.1523 -11.1482 -11.1482 -11.1465 -11.1465 -2.6408 -2.6408 -0.8071 -0.8071 5.7700 5.7700 6.6361 6.6361 7.4734 7.4734 7.6575 7.6575 7.9482 7.9482 8.1734 8.1734 11.1776 11.1776 11.5074 11.5074 11.8146 11.8146 12.1474 12.1474 12.1809 12.1809 k = 0.1413 0.5000 0.1413 ( 4158 PWs) bands (ev): -31.2893 -31.2893 -31.2694 -31.2694 -31.2498 -31.2498 -14.1364 -14.1364 -14.1353 -14.1353 -12.6773 -12.6773 -12.6461 -12.6461 -12.5939 -12.5939 -12.3575 -12.3575 -12.3070 -12.3070 -12.2600 -12.2600 -12.2139 -12.2139 -12.0659 -12.0659 -11.9969 -11.9969 -11.1522 -11.1522 -11.1479 -11.1479 -11.1466 -11.1466 -2.6567 -2.6567 -0.8133 -0.8133 5.7652 5.7652 6.6754 6.6754 7.4931 7.4931 7.7015 7.7015 7.9579 7.9579 8.1972 8.1972 11.1168 11.1168 11.4843 11.4843 11.7621 11.7621 12.1404 12.1404 12.1990 12.1990 k = 0.1304 0.5000 0.1304 ( 4158 PWs) bands (ev): -31.2899 -31.2899 -31.2695 -31.2695 -31.2492 -31.2492 -14.1364 -14.1364 -14.1354 -14.1354 -12.6775 -12.6775 -12.6434 -12.6434 -12.5931 -12.5931 -12.3549 -12.3549 -12.3084 -12.3084 -12.2627 -12.2627 -12.2073 -12.2073 -12.0701 -12.0701 -11.9991 -11.9991 -11.1523 -11.1523 -11.1477 -11.1477 -11.1468 -11.1468 -2.6717 -2.6717 -0.8195 -0.8195 5.7606 5.7606 6.7165 6.7165 7.5107 7.5107 7.7436 7.7436 7.9667 7.9667 8.2203 8.2203 11.0585 11.0585 11.4608 11.4608 11.7073 11.7073 12.1327 12.1327 12.2210 12.2210 k = 0.1196 0.5000 0.1196 ( 4162 PWs) bands (ev): -31.2905 -31.2905 -31.2695 -31.2695 -31.2487 -31.2487 -14.1364 -14.1364 -14.1355 -14.1355 -12.6777 -12.6777 -12.6406 -12.6406 -12.5925 -12.5925 -12.3527 -12.3527 -12.3095 -12.3095 -12.2655 -12.2655 -12.2005 -12.2005 -12.0743 -12.0743 -12.0012 -12.0012 -11.1523 -11.1523 -11.1475 -11.1475 -11.1469 -11.1469 -2.6858 -2.6858 -0.8253 -0.8253 5.7561 5.7561 6.7587 6.7587 7.5260 7.5260 7.7835 7.7835 7.9746 7.9746 8.2428 8.2428 11.0030 11.0030 11.4375 11.4375 11.6519 11.6519 12.1250 12.1250 12.2453 12.2453 k = 0.1087 0.5000 0.1087 ( 4156 PWs) bands (ev): -31.2911 -31.2911 -31.2695 -31.2695 -31.2481 -31.2481 -14.1364 -14.1364 -14.1356 -14.1356 -12.6780 -12.6780 -12.6379 -12.6379 -12.5922 -12.5922 -12.3507 -12.3507 -12.3102 -12.3102 -12.2682 -12.2682 -12.1937 -12.1937 -12.0785 -12.0785 -12.0031 -12.0031 -11.1524 -11.1524 -11.1473 -11.1473 -11.1469 -11.1469 -2.6988 -2.6988 -0.8309 -0.8309 5.7518 5.7518 6.8016 6.8016 7.5389 7.5389 7.8209 7.8209 7.9817 7.9817 8.2643 8.2643 10.9508 10.9508 11.4148 11.4148 11.5973 11.5973 12.1174 12.1174 12.2711 12.2711 k = 0.0978 0.5000 0.0978 ( 4132 PWs) bands (ev): -31.2916 -31.2916 -31.2695 -31.2695 -31.2476 -31.2476 -14.1364 -14.1364 -14.1357 -14.1357 -12.6783 -12.6783 -12.6352 -12.6352 -12.5920 -12.5920 -12.3489 -12.3489 -12.3104 -12.3104 -12.2710 -12.2710 -12.1867 -12.1867 -12.0827 -12.0827 -12.0049 -12.0049 -11.1525 -11.1525 -11.1472 -11.1472 -11.1469 -11.1469 -2.7108 -2.7108 -0.8362 -0.8362 5.7477 5.7477 6.8446 6.8446 7.5492 7.5492 7.8556 7.8556 7.9880 7.9880 8.2849 8.2849 10.9021 10.9021 11.3931 11.3931 11.5444 11.5444 12.1102 12.1102 12.2981 12.2981 k = 0.0870 0.5000 0.0870 ( 4140 PWs) bands (ev): -31.2920 -31.2920 -31.2695 -31.2695 -31.2472 -31.2472 -14.1364 -14.1364 -14.1358 -14.1358 -12.6787 -12.6787 -12.6327 -12.6327 -12.5921 -12.5921 -12.3476 -12.3476 -12.3102 -12.3102 -12.2739 -12.2739 -12.1799 -12.1799 -12.0871 -12.0871 -12.0066 -12.0066 -11.1527 -11.1527 -11.1473 -11.1473 -11.1467 -11.1467 -2.7217 -2.7217 -0.8410 -0.8410 5.7439 5.7439 6.8870 6.8870 7.5568 7.5568 7.8874 7.8874 7.9935 7.9935 8.3041 8.3041 10.8572 10.8572 11.3727 11.3727 11.4944 11.4944 12.1035 12.1035 12.3257 12.3257 k = 0.0761 0.5000 0.0761 ( 4144 PWs) bands (ev): -31.2925 -31.2925 -31.2695 -31.2695 -31.2468 -31.2468 -14.1363 -14.1363 -14.1359 -14.1359 -12.6790 -12.6790 -12.6303 -12.6303 -12.5923 -12.5923 -12.3466 -12.3466 -12.3096 -12.3096 -12.2767 -12.2767 -12.1731 -12.1731 -12.0914 -12.0914 -12.0082 -12.0082 -11.1528 -11.1528 -11.1473 -11.1473 -11.1466 -11.1466 -2.7314 -2.7314 -0.8454 -0.8454 5.7405 5.7405 6.9281 6.9281 7.5618 7.5618 7.9160 7.9160 7.9982 7.9982 8.3219 8.3219 10.8167 10.8167 11.3539 11.3539 11.4479 11.4479 12.0973 12.0973 12.3536 12.3536 k = 0.0652 0.5000 0.0652 ( 4140 PWs) bands (ev): -31.2928 -31.2928 -31.2695 -31.2695 -31.2464 -31.2464 -14.1363 -14.1363 -14.1360 -14.1360 -12.6794 -12.6794 -12.6280 -12.6280 -12.5927 -12.5927 -12.3458 -12.3458 -12.3085 -12.3085 -12.2796 -12.2796 -12.1665 -12.1665 -12.0958 -12.0958 -12.0095 -12.0095 -11.1530 -11.1530 -11.1473 -11.1473 -11.1464 -11.1464 -2.7398 -2.7398 -0.8493 -0.8493 5.7375 5.7375 6.9669 6.9669 7.5644 7.5644 7.9412 7.9412 8.0024 8.0024 8.3381 8.3381 10.7807 10.7807 11.3370 11.3370 11.4058 11.4058 12.0918 12.0918 12.3812 12.3812 k = 0.0543 0.5000 0.0543 ( 4144 PWs) bands (ev): -31.2931 -31.2931 -31.2695 -31.2695 -31.2461 -31.2461 -14.1363 -14.1363 -14.1360 -14.1360 -12.6797 -12.6797 -12.6260 -12.6260 -12.5932 -12.5932 -12.3453 -12.3453 -12.3071 -12.3071 -12.2824 -12.2824 -12.1601 -12.1601 -12.1003 -12.1003 -12.0108 -12.0108 -11.1531 -11.1531 -11.1474 -11.1474 -11.1463 -11.1463 -2.7471 -2.7471 -0.8527 -0.8527 5.7348 5.7348 7.0026 7.0026 7.5648 7.5648 7.9629 7.9629 8.0058 8.0058 8.3523 8.3523 10.7496 10.7496 11.3224 11.3224 11.3689 11.3689 12.0871 12.0871 12.4079 12.4079 k = 0.0435 0.5000 0.0435 ( 4144 PWs) bands (ev): -31.2934 -31.2934 -31.2695 -31.2695 -31.2459 -31.2459 -14.1363 -14.1363 -14.1361 -14.1361 -12.6800 -12.6800 -12.6242 -12.6242 -12.5937 -12.5937 -12.3450 -12.3450 -12.3053 -12.3053 -12.2852 -12.2852 -12.1539 -12.1539 -12.1048 -12.1048 -12.0118 -12.0118 -11.1533 -11.1533 -11.1474 -11.1474 -11.1462 -11.1462 -2.7531 -2.7531 -0.8555 -0.8555 5.7326 5.7326 7.0342 7.0342 7.5636 7.5636 7.9808 7.9808 8.0087 8.0087 8.3643 8.3643 10.7237 10.7237 11.3101 11.3101 11.3377 11.3377 12.0831 12.0831 12.4327 12.4327 k = 0.0326 0.5000 0.0326 ( 4134 PWs) bands (ev): -31.2936 -31.2936 -31.2695 -31.2695 -31.2457 -31.2457 -14.1363 -14.1363 -14.1361 -14.1361 -12.6802 -12.6802 -12.6226 -12.6226 -12.5941 -12.5941 -12.3448 -12.3448 -12.3033 -12.3033 -12.2880 -12.2880 -12.1481 -12.1481 -12.1092 -12.1092 -12.0125 -12.0125 -11.1534 -11.1534 -11.1474 -11.1474 -11.1461 -11.1461 -2.7577 -2.7577 -0.8577 -0.8577 5.7308 5.7308 7.0605 7.0605 7.5615 7.5615 7.9947 7.9947 8.0111 8.0111 8.3739 8.3739 10.7032 10.7032 11.3003 11.3003 11.3129 11.3129 12.0800 12.0800 12.4545 12.4545 k = 0.0217 0.5000 0.0217 ( 4132 PWs) bands (ev): -31.2937 -31.2937 -31.2695 -31.2695 -31.2456 -31.2456 -14.1363 -14.1363 -14.1361 -14.1361 -12.6804 -12.6804 -12.6215 -12.6215 -12.5945 -12.5945 -12.3447 -12.3447 -12.3010 -12.3010 -12.2908 -12.2908 -12.1430 -12.1430 -12.1134 -12.1134 -12.0130 -12.0130 -11.1534 -11.1534 -11.1474 -11.1474 -11.1461 -11.1461 -2.7611 -2.7611 -0.8593 -0.8593 5.7296 5.7296 7.0803 7.0803 7.5591 7.5591 8.0044 8.0044 8.0131 8.0131 8.3809 8.3809 10.6885 10.6885 11.2932 11.2932 11.2950 11.2950 12.0778 12.0778 12.4717 12.4717 k = 0.0109 0.5000 0.0109 ( 4136 PWs) bands (ev): -31.2938 -31.2938 -31.2695 -31.2695 -31.2455 -31.2455 -14.1363 -14.1363 -14.1361 -14.1361 -12.6805 -12.6805 -12.6208 -12.6208 -12.5947 -12.5947 -12.3447 -12.3447 -12.2986 -12.2986 -12.2935 -12.2935 -12.1390 -12.1390 -12.1168 -12.1168 -12.0134 -12.0134 -11.1535 -11.1535 -11.1474 -11.1474 -11.1460 -11.1460 -2.7631 -2.7631 -0.8603 -0.8603 5.7288 5.7288 7.0927 7.0927 7.5573 7.5573 8.0095 8.0095 8.0151 8.0151 8.3852 8.3852 10.6795 10.6795 11.2836 11.2836 11.2893 11.2893 12.0764 12.0764 12.4828 12.4828 k = 0.0000 0.5000-0.0000 ( 4140 PWs) bands (ev): -31.2938 -31.2938 -31.2695 -31.2695 -31.2455 -31.2455 -14.1363 -14.1363 -14.1361 -14.1361 -12.6806 -12.6806 -12.6206 -12.6206 -12.5948 -12.5948 -12.3447 -12.3447 -12.2963 -12.2963 -12.2960 -12.2960 -12.1373 -12.1373 -12.1183 -12.1183 -12.0135 -12.0135 -11.1535 -11.1535 -11.1474 -11.1474 -11.1460 -11.1460 -2.7638 -2.7638 -0.8606 -0.8606 5.7285 5.7285 7.0969 7.0969 7.5567 7.5567 8.0108 8.0108 8.0162 8.0162 8.3866 8.3866 10.6765 10.6765 11.2800 11.2800 11.2878 11.2878 12.0760 12.0760 12.4867 12.4867 k = 0.5000 0.5000-0.0000 ( 4116 PWs) bands (ev): -31.2695 -31.2695 -31.2692 -31.2692 -31.2692 -31.2692 -14.1376 -14.1376 -14.1337 -14.1337 -12.6920 -12.6920 -12.6316 -12.6316 -12.6220 -12.6220 -12.3511 -12.3511 -12.3053 -12.3053 -12.2985 -12.2985 -12.1977 -12.1977 -12.0999 -12.0999 -11.9505 -11.9505 -11.1546 -11.1546 -11.1465 -11.1465 -11.1427 -11.1427 -2.4598 -2.4598 -0.7140 -0.7140 5.5377 5.5377 6.0361 6.0361 7.2946 7.2946 7.7832 7.7832 7.8364 7.8364 8.0799 8.0799 11.3614 11.3614 11.9397 11.9397 11.9524 11.9524 12.1552 12.1552 12.1605 12.1605 k = 0.5000 0.5000 0.0152 ( 4148 PWs) bands (ev): -31.2695 -31.2695 -31.2693 -31.2693 -31.2693 -31.2693 -14.1376 -14.1376 -14.1337 -14.1337 -12.6920 -12.6920 -12.6319 -12.6319 -12.6221 -12.6221 -12.3519 -12.3519 -12.3046 -12.3046 -12.2986 -12.2986 -12.1980 -12.1980 -12.0993 -12.0993 -11.9505 -11.9505 -11.1546 -11.1546 -11.1466 -11.1466 -11.1427 -11.1427 -2.4591 -2.4591 -0.7140 -0.7140 5.5387 5.5387 6.0370 6.0370 7.2932 7.2932 7.7797 7.7797 7.8356 7.8356 8.0784 8.0784 11.3623 11.3623 11.9385 11.9385 11.9513 11.9513 12.1561 12.1561 12.1613 12.1613 k = 0.5000 0.5000 0.0303 ( 4148 PWs) bands (ev): -31.2695 -31.2695 -31.2693 -31.2693 -31.2693 -31.2693 -14.1375 -14.1375 -14.1337 -14.1337 -12.6921 -12.6921 -12.6327 -12.6327 -12.6224 -12.6224 -12.3540 -12.3540 -12.3025 -12.3025 -12.2988 -12.2988 -12.1988 -12.1988 -12.0974 -12.0974 -11.9505 -11.9505 -11.1547 -11.1547 -11.1466 -11.1466 -11.1428 -11.1428 -2.4573 -2.4573 -0.7140 -0.7140 5.5418 5.5418 6.0398 6.0398 7.2891 7.2891 7.7694 7.7694 7.8334 7.8334 8.0739 8.0739 11.3650 11.3650 11.9353 11.9353 11.9483 11.9483 12.1589 12.1589 12.1639 12.1639 k = 0.5000 0.5000 0.0455 ( 4156 PWs) bands (ev): -31.2695 -31.2695 -31.2693 -31.2693 -31.2693 -31.2693 -14.1375 -14.1375 -14.1337 -14.1337 -12.6921 -12.6921 -12.6340 -12.6340 -12.6229 -12.6229 -12.3571 -12.3571 -12.2993 -12.2993 -12.2992 -12.2992 -12.2001 -12.2001 -12.0942 -12.0942 -11.9505 -11.9505 -11.1547 -11.1547 -11.1467 -11.1467 -11.1429 -11.1429 -2.4542 -2.4542 -0.7140 -0.7140 5.5470 5.5470 6.0444 6.0444 7.2824 7.2824 7.7524 7.7524 7.8298 7.8298 8.0665 8.0665 11.3693 11.3693 11.9300 11.9300 11.9432 11.9432 12.1635 12.1635 12.1681 12.1681 k = 0.5000 0.5000 0.0606 ( 4160 PWs) bands (ev): -31.2695 -31.2695 -31.2693 -31.2693 -31.2693 -31.2693 -14.1374 -14.1374 -14.1336 -14.1336 -12.6922 -12.6922 -12.6357 -12.6357 -12.6236 -12.6236 -12.3610 -12.3610 -12.2996 -12.2996 -12.2954 -12.2954 -12.2016 -12.2016 -12.0901 -12.0901 -11.9505 -11.9505 -11.1548 -11.1548 -11.1468 -11.1468 -11.1432 -11.1432 -2.4498 -2.4498 -0.7140 -0.7140 5.5542 5.5542 6.0509 6.0509 7.2731 7.2731 7.7289 7.7289 7.8250 7.8250 8.0563 8.0563 11.3749 11.3749 11.9224 11.9224 11.9362 11.9362 12.1700 12.1700 12.1740 12.1740 k = 0.5000 0.5000 0.0758 ( 4168 PWs) bands (ev): -31.2695 -31.2695 -31.2693 -31.2693 -31.2693 -31.2693 -14.1373 -14.1373 -14.1336 -14.1336 -12.6923 -12.6923 -12.6377 -12.6377 -12.6247 -12.6247 -12.3653 -12.3653 -12.3002 -12.3002 -12.2911 -12.2911 -12.2033 -12.2033 -12.0851 -12.0851 -11.9504 -11.9504 -11.1549 -11.1549 -11.1469 -11.1469 -11.1434 -11.1434 -2.4443 -2.4443 -0.7140 -0.7140 5.5634 5.5634 6.0591 6.0591 7.2613 7.2613 7.6993 7.6993 7.8189 7.8189 8.0435 8.0435 11.3813 11.3813 11.9126 11.9126 11.9271 11.9271 12.1781 12.1781 12.1814 12.1814 k = 0.5000 0.5000 0.0909 ( 4152 PWs) bands (ev): -31.2695 -31.2695 -31.2693 -31.2693 -31.2692 -31.2692 -14.1371 -14.1371 -14.1335 -14.1335 -12.6924 -12.6924 -12.6400 -12.6400 -12.6261 -12.6261 -12.3698 -12.3698 -12.3008 -12.3008 -12.2864 -12.2864 -12.2050 -12.2050 -12.0794 -12.0794 -11.9503 -11.9503 -11.1550 -11.1550 -11.1471 -11.1471 -11.1438 -11.1438 -2.4377 -2.4377 -0.7140 -0.7140 5.5746 5.5746 6.0691 6.0691 7.2470 7.2470 7.6641 7.6641 7.8116 7.8116 8.0283 8.0283 11.3881 11.3881 11.9006 11.9006 11.9160 11.9160 12.1877 12.1877 12.1903 12.1903 k = 0.5000 0.5000 0.1061 ( 4152 PWs) bands (ev): -31.2695 -31.2695 -31.2692 -31.2692 -31.2692 -31.2692 -14.1369 -14.1369 -14.1335 -14.1335 -12.6926 -12.6926 -12.6425 -12.6425 -12.6278 -12.6278 -12.3746 -12.3746 -12.3015 -12.3015 -12.2816 -12.2816 -12.2066 -12.2066 -12.0732 -12.0732 -11.9501 -11.9501 -11.1552 -11.1552 -11.1473 -11.1473 -11.1441 -11.1441 -2.4300 -2.4300 -0.7140 -0.7140 5.5878 5.5878 6.0808 6.0808 7.2304 7.2304 7.6238 7.6238 7.8032 7.8032 8.0109 8.0109 11.3949 11.3949 11.8862 11.8862 11.9027 11.9027 12.1988 12.1988 12.2007 12.2007 k = 0.5000 0.5000 0.1212 ( 4160 PWs) bands (ev): -31.2695 -31.2695 -31.2692 -31.2692 -31.2692 -31.2692 -14.1367 -14.1367 -14.1334 -14.1334 -12.6928 -12.6928 -12.6452 -12.6452 -12.6300 -12.6300 -12.3794 -12.3794 -12.3022 -12.3022 -12.2767 -12.2767 -12.2081 -12.2081 -12.0666 -12.0666 -11.9500 -11.9500 -11.1554 -11.1554 -11.1475 -11.1475 -11.1445 -11.1445 -2.4212 -2.4212 -0.7140 -0.7140 5.6028 5.6028 6.0941 6.0941 7.2115 7.2115 7.5790 7.5790 7.7937 7.7937 7.9916 7.9916 11.4011 11.4011 11.8694 11.8694 11.8872 11.8872 12.2111 12.2111 12.2123 12.2123 k = 0.5000 0.5000 0.1364 ( 4172 PWs) bands (ev): -31.2695 -31.2695 -31.2692 -31.2692 -31.2692 -31.2692 -14.1365 -14.1365 -14.1333 -14.1333 -12.6930 -12.6930 -12.6481 -12.6481 -12.6325 -12.6325 -12.3842 -12.3842 -12.3031 -12.3031 -12.2718 -12.2718 -12.2094 -12.2094 -12.0596 -12.0596 -11.9499 -11.9499 -11.1556 -11.1556 -11.1477 -11.1477 -11.1450 -11.1450 -2.4115 -2.4115 -0.7140 -0.7140 5.6197 5.6197 6.1089 6.1089 7.1906 7.1906 7.5303 7.5303 7.7833 7.7833 7.9705 7.9705 11.4064 11.4064 11.8502 11.8502 11.8696 11.8696 12.2246 12.2246 12.2251 12.2251 k = 0.5000 0.5000 0.1515 ( 4164 PWs) bands (ev): -31.2694 -31.2694 -31.2692 -31.2692 -31.2692 -31.2692 -14.1363 -14.1363 -14.1332 -14.1332 -12.6932 -12.6932 -12.6511 -12.6511 -12.6353 -12.6353 -12.3889 -12.3889 -12.3038 -12.3038 -12.2668 -12.2668 -12.2104 -12.2104 -12.0525 -12.0525 -11.9497 -11.9497 -11.1558 -11.1558 -11.1480 -11.1480 -11.1455 -11.1455 -2.4009 -2.4009 -0.7140 -0.7140 5.6384 5.6384 6.1251 6.1251 7.1678 7.1678 7.4783 7.4783 7.7720 7.7720 7.9481 7.9481 11.4103 11.4103 11.8287 11.8287 11.8497 11.8497 12.2391 12.2391 12.2392 12.2392 k = 0.5000 0.5000 0.1667 ( 4172 PWs) bands (ev): -31.2694 -31.2694 -31.2692 -31.2692 -31.2692 -31.2692 -14.1361 -14.1361 -14.1332 -14.1332 -12.6934 -12.6934 -12.6542 -12.6542 -12.6384 -12.6384 -12.3936 -12.3936 -12.3047 -12.3047 -12.2620 -12.2620 -12.2113 -12.2113 -12.0453 -12.0453 -11.9496 -11.9496 -11.1560 -11.1560 -11.1483 -11.1483 -11.1460 -11.1460 -2.3896 -2.3896 -0.7139 -0.7139 5.6588 5.6588 6.1428 6.1428 7.1432 7.1432 7.4236 7.4236 7.7599 7.7599 7.9244 7.9244 11.4126 11.4126 11.8049 11.8049 11.8276 11.8276 12.2540 12.2540 12.2547 12.2547 k = 0.5000 0.5000 0.1818 ( 4156 PWs) bands (ev): -31.2694 -31.2694 -31.2692 -31.2692 -31.2692 -31.2692 -14.1358 -14.1358 -14.1331 -14.1331 -12.6937 -12.6937 -12.6573 -12.6573 -12.6418 -12.6418 -12.3982 -12.3982 -12.3054 -12.3054 -12.2572 -12.2572 -12.2118 -12.2118 -12.0379 -12.0379 -11.9494 -11.9494 -11.1563 -11.1563 -11.1486 -11.1486 -11.1465 -11.1465 -2.3775 -2.3775 -0.7139 -0.7139 5.6809 5.6809 6.1616 6.1616 7.1170 7.1170 7.3669 7.3669 7.7472 7.7472 7.8999 7.8999 11.4131 11.4131 11.7789 11.7789 11.8033 11.8033 12.2699 12.2699 12.2711 12.2711 k = 0.5000 0.5000 0.1970 ( 4140 PWs) bands (ev): -31.2694 -31.2694 -31.2692 -31.2692 -31.2692 -31.2692 -14.1355 -14.1355 -14.1330 -14.1330 -12.6939 -12.6939 -12.6604 -12.6604 -12.6454 -12.6454 -12.4026 -12.4026 -12.3061 -12.3061 -12.2525 -12.2525 -12.2120 -12.2120 -12.0306 -12.0306 -11.9491 -11.9491 -11.1566 -11.1566 -11.1489 -11.1489 -11.1471 -11.1471 -2.3649 -2.3649 -0.7139 -0.7139 5.7045 5.7045 6.1816 6.1816 7.0895 7.0895 7.3088 7.3088 7.7339 7.7339 7.8747 7.8747 11.4117 11.4117 11.7509 11.7509 11.7770 11.7770 12.2866 12.2866 12.2881 12.2881 k = 0.5000 0.5000 0.2121 ( 4148 PWs) bands (ev): -31.2693 -31.2693 -31.2692 -31.2692 -31.2692 -31.2692 -14.1353 -14.1353 -14.1329 -14.1329 -12.6942 -12.6942 -12.6636 -12.6636 -12.6493 -12.6493 -12.4069 -12.4069 -12.3068 -12.3068 -12.2480 -12.2480 -12.2122 -12.2122 -12.0235 -12.0235 -11.9489 -11.9489 -11.1569 -11.1569 -11.1492 -11.1492 -11.1477 -11.1477 -2.3517 -2.3517 -0.7139 -0.7139 5.7296 5.7296 6.2026 6.2026 7.0607 7.0607 7.2497 7.2497 7.7201 7.7201 7.8490 7.8490 11.4085 11.4085 11.7211 11.7211 11.7487 11.7487 12.3039 12.3039 12.3056 12.3056 k = 0.5000 0.5000 0.2273 ( 4140 PWs) bands (ev): -31.2693 -31.2693 -31.2692 -31.2692 -31.2692 -31.2692 -14.1350 -14.1350 -14.1327 -14.1327 -12.6945 -12.6945 -12.6667 -12.6667 -12.6533 -12.6533 -12.4110 -12.4110 -12.3074 -12.3074 -12.2436 -12.2436 -12.2121 -12.2121 -12.0164 -12.0164 -11.9487 -11.9487 -11.1572 -11.1572 -11.1495 -11.1495 -11.1482 -11.1482 -2.3382 -2.3382 -0.7139 -0.7139 5.7561 5.7561 6.2244 6.2244 7.0309 7.0309 7.1904 7.1904 7.7060 7.7060 7.8232 7.8232 11.4036 11.4036 11.6897 11.6897 11.7187 11.7187 12.3217 12.3217 12.3236 12.3236 k = 0.5000 0.5000 0.2424 ( 4144 PWs) bands (ev): -31.2693 -31.2693 -31.2692 -31.2692 -31.2692 -31.2692 -14.1347 -14.1347 -14.1326 -14.1326 -12.6949 -12.6949 -12.6698 -12.6698 -12.6574 -12.6574 -12.4150 -12.4150 -12.3080 -12.3080 -12.2394 -12.2394 -12.2118 -12.2118 -12.0095 -12.0095 -11.9485 -11.9485 -11.1576 -11.1576 -11.1499 -11.1499 -11.1488 -11.1488 -2.3244 -2.3244 -0.7139 -0.7139 5.7839 5.7839 6.2468 6.2468 7.0001 7.0001 7.1312 7.1312 7.6916 7.6916 7.7973 7.7973 11.3969 11.3969 11.6571 11.6571 11.6871 11.6871 12.3399 12.3399 12.3418 12.3418 k = 0.5000 0.5000 0.2576 ( 4148 PWs) bands (ev): -31.2693 -31.2693 -31.2692 -31.2692 -31.2692 -31.2692 -14.1344 -14.1344 -14.1325 -14.1325 -12.6952 -12.6952 -12.6728 -12.6728 -12.6616 -12.6616 -12.4188 -12.4188 -12.3086 -12.3086 -12.2354 -12.2354 -12.2114 -12.2114 -12.0029 -12.0029 -11.9483 -11.9483 -11.1579 -11.1579 -11.1502 -11.1502 -11.1493 -11.1493 -2.3105 -2.3105 -0.7139 -0.7139 5.8128 5.8128 6.2698 6.2698 6.9687 6.9687 7.0727 7.0727 7.6771 7.6771 7.7716 7.7716 11.3890 11.3890 11.6235 11.6235 11.6544 11.6544 12.3583 12.3583 12.3600 12.3600 k = 0.5000 0.5000 0.2727 ( 4148 PWs) bands (ev): -31.2693 -31.2693 -31.2691 -31.2691 -31.2691 -31.2691 -14.1341 -14.1341 -14.1324 -14.1324 -12.6955 -12.6955 -12.6758 -12.6758 -12.6658 -12.6658 -12.4224 -12.4224 -12.3090 -12.3090 -12.2316 -12.2316 -12.2108 -12.2108 -11.9965 -11.9965 -11.9481 -11.9481 -11.1583 -11.1583 -11.1505 -11.1505 -11.1498 -11.1498 -2.2965 -2.2965 -0.7139 -0.7139 5.8428 5.8428 6.2931 6.2931 6.9367 6.9367 7.0154 7.0154 7.6626 7.6626 7.7463 7.7463 11.3799 11.3799 11.5894 11.5894 11.6209 11.6209 12.3768 12.3768 12.3783 12.3783 k = 0.5000 0.5000 0.2879 ( 4156 PWs) bands (ev): -31.2692 -31.2692 -31.2691 -31.2691 -31.2691 -31.2691 -14.1338 -14.1338 -14.1323 -14.1323 -12.6959 -12.6959 -12.6786 -12.6786 -12.6700 -12.6700 -12.4258 -12.4258 -12.3094 -12.3094 -12.2280 -12.2280 -12.2102 -12.2102 -11.9904 -11.9904 -11.9479 -11.9479 -11.1587 -11.1587 -11.1508 -11.1508 -11.1503 -11.1503 -2.2827 -2.2827 -0.7139 -0.7139 5.8736 5.8736 6.3164 6.3164 6.9044 6.9044 6.9597 6.9597 7.6481 7.6481 7.7216 7.7216 11.3699 11.3699 11.5552 11.5552 11.5868 11.5868 12.3951 12.3951 12.3963 12.3963 k = 0.5000 0.5000 0.3030 ( 4156 PWs) bands (ev): -31.2692 -31.2692 -31.2691 -31.2691 -31.2691 -31.2691 -14.1335 -14.1335 -14.1322 -14.1322 -12.6963 -12.6963 -12.6814 -12.6814 -12.6741 -12.6741 -12.4290 -12.4290 -12.3098 -12.3098 -12.2245 -12.2245 -12.2095 -12.2095 -11.9846 -11.9846 -11.9477 -11.9477 -11.1592 -11.1592 -11.1512 -11.1512 -11.1507 -11.1507 -2.2691 -2.2691 -0.7139 -0.7139 5.9053 5.9053 6.3397 6.3397 6.8717 6.8717 6.9060 6.9060 7.6339 7.6339 7.6976 7.6976 11.3593 11.3593 11.5211 11.5211 11.5527 11.5527 12.4133 12.4133 12.4141 12.4141 k = 0.5000 0.5000 0.3182 ( 4156 PWs) bands (ev): -31.2692 -31.2692 -31.2691 -31.2691 -31.2691 -31.2691 -14.1333 -14.1333 -14.1321 -14.1321 -12.6966 -12.6966 -12.6840 -12.6840 -12.6780 -12.6780 -12.4319 -12.4319 -12.3100 -12.3100 -12.2213 -12.2213 -12.2087 -12.2087 -11.9791 -11.9791 -11.9475 -11.9475 -11.1596 -11.1596 -11.1515 -11.1515 -11.1512 -11.1512 -2.2559 -2.2559 -0.7138 -0.7138 5.9376 5.9376 6.3627 6.3627 6.8390 6.8390 6.8547 6.8547 7.6200 7.6200 7.6746 7.6746 11.3484 11.3484 11.4877 11.4877 11.5189 11.5189 12.4310 12.4310 12.4313 12.4313 k = 0.5000 0.5000 0.3333 ( 4148 PWs) bands (ev): -31.2692 -31.2692 -31.2691 -31.2691 -31.2691 -31.2691 -14.1330 -14.1330 -14.1320 -14.1320 -12.6969 -12.6969 -12.6864 -12.6864 -12.6817 -12.6817 -12.4346 -12.4346 -12.3103 -12.3103 -12.2184 -12.2184 -12.2079 -12.2079 -11.9740 -11.9740 -11.9473 -11.9473 -11.1600 -11.1600 -11.1518 -11.1518 -11.1516 -11.1516 -2.2432 -2.2432 -0.7138 -0.7138 5.9704 5.9704 6.3852 6.3852 6.8062 6.8062 6.8062 6.8062 7.6066 7.6066 7.6526 7.6526 11.3374 11.3374 11.4553 11.4553 11.4860 11.4860 12.4478 12.4478 12.4481 12.4481 k = 0.5000 0.5000 0.3485 ( 4152 PWs) bands (ev): -31.2692 -31.2692 -31.2691 -31.2691 -31.2691 -31.2691 -14.1328 -14.1328 -14.1319 -14.1319 -12.6973 -12.6973 -12.6889 -12.6889 -12.6852 -12.6852 -12.4371 -12.4371 -12.3105 -12.3105 -12.2157 -12.2157 -12.2071 -12.2071 -11.9693 -11.9693 -11.9471 -11.9471 -11.1604 -11.1604 -11.1521 -11.1521 -11.1519 -11.1519 -2.2311 -2.2311 -0.7138 -0.7138 6.0034 6.0034 6.4068 6.4068 6.7608 6.7608 6.7736 6.7736 7.5937 7.5937 7.6318 7.6318 11.3264 11.3264 11.4243 11.4243 11.4542 11.4542 12.4635 12.4635 12.4644 12.4644 k = 0.5000 0.5000 0.3636 ( 4160 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1325 -14.1325 -14.1318 -14.1318 -12.6976 -12.6976 -12.6912 -12.6912 -12.6883 -12.6883 -12.4394 -12.4394 -12.3107 -12.3107 -12.2132 -12.2132 -12.2064 -12.2064 -11.9650 -11.9650 -11.9469 -11.9469 -11.1608 -11.1608 -11.1523 -11.1523 -11.1522 -11.1522 -2.2198 -2.2198 -0.7138 -0.7138 6.0365 6.0365 6.4274 6.4274 6.7187 6.7187 6.7413 6.7413 7.5815 7.5815 7.6124 7.6124 11.3158 11.3158 11.3951 11.3951 11.4240 11.4240 12.4782 12.4782 12.4797 12.4797 k = 0.5000 0.5000 0.3788 ( 4176 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1323 -14.1323 -14.1318 -14.1318 -12.6979 -12.6979 -12.6937 -12.6937 -12.6909 -12.6909 -12.4415 -12.4415 -12.3108 -12.3108 -12.2110 -12.2110 -12.2056 -12.2056 -11.9611 -11.9611 -11.9468 -11.9468 -11.1612 -11.1612 -11.1526 -11.1526 -11.1525 -11.1525 -2.2093 -2.2093 -0.7138 -0.7138 6.0695 6.0695 6.4468 6.4468 6.6803 6.6803 6.7094 6.7094 7.5702 7.5702 7.5946 7.5946 11.3057 11.3057 11.3680 11.3680 11.3959 11.3959 12.4919 12.4919 12.4940 12.4940 k = 0.5000 0.5000 0.3939 ( 4176 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1321 -14.1321 -14.1317 -14.1317 -12.6982 -12.6982 -12.6961 -12.6961 -12.6930 -12.6930 -12.4433 -12.4433 -12.3109 -12.3109 -12.2090 -12.2090 -12.2049 -12.2049 -11.9576 -11.9576 -11.9466 -11.9466 -11.1616 -11.1616 -11.1528 -11.1528 -11.1528 -11.1528 -2.1998 -2.1998 -0.7138 -0.7138 6.1020 6.1020 6.4646 6.4646 6.6459 6.6459 6.6781 6.6781 7.5598 7.5598 7.5784 7.5784 11.2963 11.2963 11.3432 11.3432 11.3703 11.3703 12.5043 12.5043 12.5070 12.5070 k = 0.5000 0.5000 0.4091 ( 4176 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1319 -14.1319 -14.1316 -14.1316 -12.6985 -12.6985 -12.6984 -12.6984 -12.6948 -12.6948 -12.4449 -12.4449 -12.3110 -12.3110 -12.2072 -12.2072 -12.2043 -12.2043 -11.9546 -11.9546 -11.9465 -11.9465 -11.1619 -11.1619 -11.1530 -11.1530 -11.1530 -11.1530 -2.1913 -2.1913 -0.7138 -0.7138 6.1337 6.1337 6.4806 6.4806 6.6156 6.6156 6.6478 6.6478 7.5504 7.5504 7.5641 7.5641 11.2875 11.2875 11.3212 11.3212 11.3476 11.3476 12.5154 12.5154 12.5185 12.5185 k = 0.5000 0.5000 0.4242 ( 4168 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1318 -14.1318 -14.1316 -14.1316 -12.7004 -12.7004 -12.6987 -12.6987 -12.6961 -12.6961 -12.4462 -12.4462 -12.3110 -12.3110 -12.2057 -12.2057 -12.2037 -12.2037 -11.9519 -11.9519 -11.9463 -11.9463 -11.1622 -11.1622 -11.1531 -11.1531 -11.1531 -11.1531 -2.1839 -2.1839 -0.7138 -0.7138 6.1640 6.1640 6.4947 6.4947 6.5896 6.5896 6.6188 6.6188 7.5423 7.5423 7.5517 7.5517 11.2796 11.2796 11.3022 11.3022 11.3281 11.3281 12.5250 12.5276 12.5285 12.5427 k = 0.5000 0.5000 0.4394 ( 4184 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1317 -14.1317 -14.1315 -14.1315 -12.7022 -12.7022 -12.6989 -12.6989 -12.6973 -12.6973 -12.4473 -12.4473 -12.3111 -12.3111 -12.2045 -12.2045 -12.2032 -12.2032 -11.9498 -11.9498 -11.9463 -11.9463 -11.1624 -11.1624 -11.1533 -11.1533 -11.1533 -11.1533 -2.1778 -2.1778 -0.7138 -0.7138 6.1923 6.1923 6.5064 6.5064 6.5682 6.5682 6.5918 6.5918 7.5354 7.5354 7.5415 7.5415 11.2725 11.2725 11.2862 11.2862 11.3122 11.3122 12.5329 12.5329 12.5362 12.5362 k = 0.5000 0.5000 0.4545 ( 4192 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1316 -14.1316 -14.1315 -14.1315 -12.7036 -12.7036 -12.6991 -12.6991 -12.6982 -12.6982 -12.4482 -12.4482 -12.3112 -12.3112 -12.2036 -12.2036 -12.2029 -12.2029 -11.9482 -11.9482 -11.9462 -11.9462 -11.1626 -11.1626 -11.1534 -11.1534 -11.1534 -11.1534 -2.1730 -2.1730 -0.7138 -0.7138 6.2173 6.2173 6.5158 6.5158 6.5513 6.5513 6.5678 6.5678 7.5299 7.5299 7.5333 7.5333 11.2664 11.2664 11.2736 11.2736 11.3001 11.3001 12.5379 12.5379 12.5393 12.5420 k = 0.5000 0.5000 0.4697 ( 4224 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1315 -14.1315 -14.1315 -14.1315 -12.7047 -12.7047 -12.6993 -12.6993 -12.6989 -12.6989 -12.4489 -12.4489 -12.3113 -12.3113 -12.2030 -12.2030 -12.2027 -12.2027 -11.9471 -11.9471 -11.9462 -11.9462 -11.1627 -11.1627 -11.1535 -11.1535 -11.1535 -11.1535 -2.1695 -2.1695 -0.7138 -0.7138 6.2376 6.2376 6.5225 6.5225 6.5393 6.5393 6.5483 6.5483 7.5260 7.5260 7.5275 7.5275 11.2615 11.2615 11.2646 11.2646 11.2918 11.2918 12.5365 12.5365 12.5438 12.5461 k = 0.5000 0.5000 0.4848 ( 4224 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1315 -14.1315 -14.1315 -14.1315 -12.7053 -12.7053 -12.6993 -12.6993 -12.6992 -12.6992 -12.4492 -12.4492 -12.3113 -12.3113 -12.2026 -12.2026 -12.2025 -12.2025 -11.9464 -11.9464 -11.9461 -11.9461 -11.1628 -11.1628 -11.1535 -11.1535 -11.1535 -11.1535 -2.1674 -2.1674 -0.7137 -0.7137 6.2512 6.2512 6.5263 6.5263 6.5323 6.5323 6.5352 6.5352 7.5236 7.5236 7.5239 7.5239 11.2584 11.2584 11.2591 11.2591 11.2870 11.2870 12.5357 12.5357 12.5470 12.5476 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -31.2691 -14.1315 -14.1315 -14.1315 -14.1315 -12.7055 -12.7055 -12.6993 -12.6993 -12.6993 -12.6993 -12.4494 -12.4494 -12.3113 -12.3113 -12.2024 -12.2024 -12.2024 -12.2024 -11.9461 -11.9461 -11.9461 -11.9461 -11.1629 -11.1629 -11.1535 -11.1535 -11.1535 -11.1535 -2.1667 -2.1667 -0.7137 -0.7137 6.2560 6.2560 6.5271 6.5271 6.5306 6.5306 6.5306 6.5306 7.5228 7.5228 7.5228 7.5228 11.2572 11.2572 11.2572 11.2572 11.2854 11.2854 12.5354 12.5354 12.5473 12.5473 Writing output data file Ca3BiN.save init_run : 0.36s CPU 0.56s WALL ( 1 calls) electrons : 278.03s CPU 281.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 278.03s CPU 281.92s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 253 calls) cegterg : 264.60s CPU 268.08s WALL ( 747 calls) Called by sum_band: Called by *egterg: h_psi : 116.77s CPU 118.62s WALL ( 14277 calls) s_psi : 8.29s CPU 8.08s WALL ( 14277 calls) g_psi : 0.33s CPU 0.34s WALL ( 13277 calls) cdiaghg : 119.33s CPU 121.51s WALL ( 13530 calls) cegterg:over : 10.08s CPU 9.89s WALL ( 13277 calls) cegterg:upda : 10.40s CPU 10.36s WALL ( 13277 calls) cegterg:last : 4.05s CPU 4.04s WALL ( 1588 calls) cdiaghg:chol : 6.47s CPU 6.87s WALL ( 13530 calls) cdiaghg:inve : 4.77s CPU 4.70s WALL ( 13530 calls) cdiaghg:para : 7.52s CPU 7.80s WALL ( 27060 calls) Called by h_psi: h_psi:vloc : 99.06s CPU 100.37s WALL ( 14277 calls) h_psi:vnl : 17.41s CPU 17.90s WALL ( 14277 calls) add_vuspsi : 9.27s CPU 9.54s WALL ( 14277 calls) General routines calbec : 8.10s CPU 8.33s WALL ( 14277 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 91.14s CPU 92.36s WALL ( 1140036 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.16s WALL ( 506 calls) Parallel routines fft_scatter : 35.28s CPU 35.79s WALL ( 1140059 calls) PWSCF : 4m52.96s CPU 5m 4.63s WALL This run was terminated on: 14:29:11 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=