Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:33:35 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: ./Ca3PN.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 32 9 1922 828 135 Max 57 33 10 1927 843 140 Sum 2029 1177 349 69239 30095 4945 bravais-lattice index = 14 lattice parameter (alat) = 8.9384 a.u. unit-cell volume = 714.1344 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.938404 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 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 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 P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential N 5.00 14.00670 N( 1.00) Ca 10.00 40.07800 Ca( 1.00) P 5.00 30.97380 P( 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= 260 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 2) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0038462 k( 3) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0038462 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0038462 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0038462 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0038462 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0038462 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0038462 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0038462 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0038462 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0038462 k( 12) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0038462 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0038462 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0038462 k( 15) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0038462 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0038462 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0038462 k( 18) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0038462 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0038462 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0038462 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0038462 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0038462 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0038462 k( 24) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0038462 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0038462 k( 26) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0038462 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0038462 k( 28) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0038462 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0038462 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0038462 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0038462 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0038462 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0038462 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0038462 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038462 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038462 k( 37) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0038462 k( 38) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0038462 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0038462 k( 40) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0038462 k( 41) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0038462 k( 42) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0038462 k( 43) = ( 0.1029412 0.5000000 -0.0000000), wk = 0.0038462 k( 44) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0038462 k( 45) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0038462 k( 46) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0038462 k( 47) = ( 0.1617647 0.5000000 -0.0000000), wk = 0.0038462 k( 48) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0038462 k( 49) = ( 0.1911765 0.5000000 -0.0000000), wk = 0.0038462 k( 50) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0038462 k( 51) = ( 0.2205882 0.5000000 -0.0000000), wk = 0.0038462 k( 52) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0038462 k( 53) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0038462 k( 54) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0038462 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0038462 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0038462 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0038462 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0038462 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0038462 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0038462 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0038462 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0038462 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0038462 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0038462 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0038462 k( 66) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0038462 k( 67) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0038462 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0038462 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0038462 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038462 k( 71) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038462 k( 72) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0038462 k( 73) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0038462 k( 74) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0038462 k( 75) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0038462 k( 76) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0038462 k( 77) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0038462 k( 78) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0038462 k( 79) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0038462 k( 80) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0038462 k( 81) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0038462 k( 82) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0038462 k( 83) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0038462 k( 84) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0038462 k( 85) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0038462 k( 86) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0038462 k( 87) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0038462 k( 88) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0038462 k( 89) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0038462 k( 90) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0038462 k( 91) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0038462 k( 92) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0038462 k( 93) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0038462 k( 94) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0038462 k( 95) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0038462 k( 96) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0038462 k( 97) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0038462 k( 98) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0038462 k( 99) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0038462 k( 100) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0038462 k( 101) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0038462 k( 102) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0038462 k( 103) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0038462 k( 104) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0038462 k( 105) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0038462 k( 106) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0038462 k( 107) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0038462 k( 108) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0038462 k( 109) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0038462 k( 110) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0038462 k( 111) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0038462 k( 112) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0038462 k( 113) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0038462 k( 114) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0038462 k( 115) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0038462 k( 116) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0038462 k( 117) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0038462 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 120) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0038462 k( 121) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0038462 k( 122) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0038462 k( 123) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0038462 k( 124) = ( 0.0431035 0.0431034 0.0431034), wk = 0.0038462 k( 125) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0038462 k( 126) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0038462 k( 127) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0038462 k( 128) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0038462 k( 129) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0038462 k( 130) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0038462 k( 131) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0038462 k( 132) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0038462 k( 133) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0038462 k( 134) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0038462 k( 135) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0038462 k( 136) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0038462 k( 137) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0038462 k( 138) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0038462 k( 139) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0038462 k( 140) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0038462 k( 141) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0038462 k( 142) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0038462 k( 143) = ( 0.2068966 0.2068965 0.2068965), wk = 0.0038462 k( 144) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0038462 k( 145) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0038462 k( 146) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0038462 k( 147) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0038462 k( 148) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038462 k( 149) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0038462 k( 150) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0038462 k( 151) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0038462 k( 152) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0038462 k( 153) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0038462 k( 154) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0038462 k( 155) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0038462 k( 156) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0038462 k( 157) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0038462 k( 158) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0038462 k( 159) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0038462 k( 160) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0038462 k( 161) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0038462 k( 162) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0038462 k( 163) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0038462 k( 164) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0038462 k( 165) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0038462 k( 166) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0038462 k( 167) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0038462 k( 168) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0038462 k( 169) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0038462 k( 170) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0038462 k( 171) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0038462 k( 172) = ( 0.4568966 0.4568965 0.4568965), wk = 0.0038462 k( 173) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0038462 k( 174) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0038462 k( 175) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0038462 k( 176) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0038462 k( 177) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038462 k( 178) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038462 k( 179) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0038462 k( 180) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0038462 k( 181) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0038462 k( 182) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0038462 k( 183) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0038462 k( 184) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0038462 k( 185) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0038462 k( 186) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0038462 k( 187) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0038462 k( 188) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0038462 k( 189) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0038462 k( 190) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0038462 k( 191) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0038462 k( 192) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0038462 k( 193) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0038462 k( 194) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0038462 k( 195) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0038462 k( 196) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0038462 k( 197) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0038462 k( 198) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0038462 k( 199) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0038462 k( 200) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0038462 k( 201) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0038462 k( 202) = ( 0.2446809 0.5000000 0.2446808), wk = 0.0038462 k( 203) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0038462 k( 204) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0038462 k( 205) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0038462 k( 206) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0038462 k( 207) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0038462 k( 208) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0038462 k( 209) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0038462 k( 210) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0038462 k( 211) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0038462 k( 212) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0038462 k( 213) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0038462 k( 214) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0038462 k( 215) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0038462 k( 216) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0038462 k( 217) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0038462 k( 218) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0038462 k( 219) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0038462 k( 220) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0038462 k( 221) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0038462 k( 222) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0038462 k( 223) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0038462 k( 224) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0038462 k( 225) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038462 k( 226) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038462 k( 227) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0038462 k( 228) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0038462 k( 229) = ( 0.5000000 0.5000000 0.0441176), wk = 0.0038462 k( 230) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0038462 k( 231) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0038462 k( 232) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0038462 k( 233) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0038462 k( 234) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0038462 k( 235) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0038462 k( 236) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0038462 k( 237) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0038462 k( 238) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0038462 k( 239) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0038462 k( 240) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0038462 k( 241) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0038462 k( 242) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0038462 k( 243) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0038462 k( 244) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0038462 k( 245) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0038462 k( 246) = ( 0.5000000 0.5000000 0.2941176), wk = 0.0038462 k( 247) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0038462 k( 248) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0038462 k( 249) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0038462 k( 250) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0038462 k( 251) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0038462 k( 252) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0038462 k( 253) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0038462 k( 254) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0038462 k( 255) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0038462 k( 256) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0038462 k( 257) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0038462 k( 258) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0038462 k( 259) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0038462 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038462 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 2) = ( 0.0000000 0.0147059 0.0000000), wk = 0.0038462 k( 3) = ( 0.0000000 0.0294118 0.0000000), wk = 0.0038462 k( 4) = ( 0.0000000 0.0441177 0.0000000), wk = 0.0038462 k( 5) = ( 0.0000000 0.0588235 0.0000000), wk = 0.0038462 k( 6) = ( 0.0000000 0.0735294 0.0000000), wk = 0.0038462 k( 7) = ( 0.0000000 0.0882353 0.0000000), wk = 0.0038462 k( 8) = ( 0.0000000 0.1029412 0.0000000), wk = 0.0038462 k( 9) = ( 0.0000000 0.1176471 0.0000000), wk = 0.0038462 k( 10) = ( 0.0000000 0.1323529 0.0000000), wk = 0.0038462 k( 11) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0038462 k( 12) = ( 0.0000000 0.1617647 0.0000000), wk = 0.0038462 k( 13) = ( 0.0000000 0.1764706 0.0000000), wk = 0.0038462 k( 14) = ( 0.0000000 0.1911765 0.0000000), wk = 0.0038462 k( 15) = ( 0.0000000 0.2058823 0.0000000), wk = 0.0038462 k( 16) = ( 0.0000000 0.2205882 0.0000000), wk = 0.0038462 k( 17) = ( 0.0000000 0.2352941 0.0000000), wk = 0.0038462 k( 18) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0038462 k( 19) = ( 0.0000000 0.2647059 0.0000000), wk = 0.0038462 k( 20) = ( 0.0000000 0.2794118 0.0000000), wk = 0.0038462 k( 21) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0038462 k( 22) = ( 0.0000000 0.3088235 0.0000000), wk = 0.0038462 k( 23) = ( 0.0000000 0.3235294 0.0000000), wk = 0.0038462 k( 24) = ( 0.0000000 0.3382353 0.0000000), wk = 0.0038462 k( 25) = ( 0.0000000 0.3529412 0.0000000), wk = 0.0038462 k( 26) = ( 0.0000000 0.3676471 0.0000000), wk = 0.0038462 k( 27) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0038462 k( 28) = ( 0.0000000 0.3970588 0.0000000), wk = 0.0038462 k( 29) = ( 0.0000000 0.4117647 0.0000000), wk = 0.0038462 k( 30) = ( 0.0000000 0.4264706 0.0000000), wk = 0.0038462 k( 31) = ( 0.0000000 0.4411765 0.0000000), wk = 0.0038462 k( 32) = ( 0.0000000 0.4558823 0.0000000), wk = 0.0038462 k( 33) = ( 0.0000000 0.4705882 0.0000000), wk = 0.0038462 k( 34) = ( 0.0000000 0.4852941 0.0000000), wk = 0.0038462 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038462 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038462 k( 37) = ( 0.0147059 0.5000000 0.0000000), wk = 0.0038462 k( 38) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0038462 k( 39) = ( 0.0441177 0.5000000 0.0000000), wk = 0.0038462 k( 40) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0038462 k( 41) = ( 0.0735294 0.5000000 0.0000000), wk = 0.0038462 k( 42) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0038462 k( 43) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0038462 k( 44) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0038462 k( 45) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0038462 k( 46) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0038462 k( 47) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0038462 k( 48) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0038462 k( 49) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0038462 k( 50) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0038462 k( 51) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0038462 k( 52) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0038462 k( 53) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0038462 k( 54) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0038462 k( 55) = ( 0.2794118 0.5000000 0.0000000), wk = 0.0038462 k( 56) = ( 0.2941177 0.5000000 0.0000000), wk = 0.0038462 k( 57) = ( 0.3088235 0.5000000 0.0000000), wk = 0.0038462 k( 58) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0038462 k( 59) = ( 0.3382353 0.5000000 0.0000000), wk = 0.0038462 k( 60) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0038462 k( 61) = ( 0.3676471 0.5000000 0.0000000), wk = 0.0038462 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0038462 k( 63) = ( 0.3970588 0.5000000 0.0000000), wk = 0.0038462 k( 64) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0038462 k( 65) = ( 0.4264706 0.5000000 0.0000000), wk = 0.0038462 k( 66) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0038462 k( 67) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0038462 k( 68) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0038462 k( 69) = ( 0.4852941 0.5000000 0.0000000), wk = 0.0038462 k( 70) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038462 k( 71) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038462 k( 72) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0038462 k( 73) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0038462 k( 74) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0038462 k( 75) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0038462 k( 76) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0038462 k( 77) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0038462 k( 78) = ( 0.4255319 0.4255319 0.0000000), wk = 0.0038462 k( 79) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0038462 k( 80) = ( 0.4042553 0.4042553 0.0000000), wk = 0.0038462 k( 81) = ( 0.3936170 0.3936170 0.0000000), wk = 0.0038462 k( 82) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0038462 k( 83) = ( 0.3723404 0.3723404 0.0000000), wk = 0.0038462 k( 84) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0038462 k( 85) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0038462 k( 86) = ( 0.3404255 0.3404255 0.0000000), wk = 0.0038462 k( 87) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0038462 k( 88) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0038462 k( 89) = ( 0.3085106 0.3085106 0.0000000), wk = 0.0038462 k( 90) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0038462 k( 91) = ( 0.2872340 0.2872340 0.0000000), wk = 0.0038462 k( 92) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0038462 k( 93) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0038462 k( 94) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0038462 k( 95) = ( 0.2446809 0.2446809 0.0000000), wk = 0.0038462 k( 96) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0038462 k( 97) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0038462 k( 98) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0038462 k( 99) = ( 0.2021277 0.2021277 0.0000000), wk = 0.0038462 k( 100) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0038462 k( 101) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0038462 k( 102) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0038462 k( 103) = ( 0.1595745 0.1595745 0.0000000), wk = 0.0038462 k( 104) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0038462 k( 105) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0038462 k( 106) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0038462 k( 107) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0038462 k( 108) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0038462 k( 109) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0038462 k( 110) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0038462 k( 111) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0038462 k( 112) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0038462 k( 113) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0038462 k( 114) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0038462 k( 115) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0038462 k( 116) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0038462 k( 117) = ( 0.0106383 0.0106383 0.0000000), wk = 0.0038462 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 120) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0038462 k( 121) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0038462 k( 122) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0038462 k( 123) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0038462 k( 124) = ( 0.0431035 0.0431035 0.0431035), wk = 0.0038462 k( 125) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0038462 k( 126) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0038462 k( 127) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0038462 k( 128) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0038462 k( 129) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0038462 k( 130) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0038462 k( 131) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0038462 k( 132) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0038462 k( 133) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0038462 k( 134) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0038462 k( 135) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0038462 k( 136) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0038462 k( 137) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0038462 k( 138) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0038462 k( 139) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0038462 k( 140) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0038462 k( 141) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0038462 k( 142) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0038462 k( 143) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0038462 k( 144) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0038462 k( 145) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0038462 k( 146) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0038462 k( 147) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0038462 k( 148) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038462 k( 149) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0038462 k( 150) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0038462 k( 151) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0038462 k( 152) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0038462 k( 153) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0038462 k( 154) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0038462 k( 155) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0038462 k( 156) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0038462 k( 157) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0038462 k( 158) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0038462 k( 159) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0038462 k( 160) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0038462 k( 161) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0038462 k( 162) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0038462 k( 163) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0038462 k( 164) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0038462 k( 165) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0038462 k( 166) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0038462 k( 167) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0038462 k( 168) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0038462 k( 169) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0038462 k( 170) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0038462 k( 171) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0038462 k( 172) = ( 0.4568966 0.4568966 0.4568966), wk = 0.0038462 k( 173) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0038462 k( 174) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0038462 k( 175) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0038462 k( 176) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0038462 k( 177) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038462 k( 178) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038462 k( 179) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0038462 k( 180) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0038462 k( 181) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0038462 k( 182) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0038462 k( 183) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0038462 k( 184) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0038462 k( 185) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0038462 k( 186) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0038462 k( 187) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0038462 k( 188) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0038462 k( 189) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0038462 k( 190) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0038462 k( 191) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0038462 k( 192) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0038462 k( 193) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0038462 k( 194) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0038462 k( 195) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0038462 k( 196) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0038462 k( 197) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0038462 k( 198) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0038462 k( 199) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0038462 k( 200) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0038462 k( 201) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0038462 k( 202) = ( 0.2446809 0.5000000 0.2446809), wk = 0.0038462 k( 203) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0038462 k( 204) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0038462 k( 205) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0038462 k( 206) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0038462 k( 207) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0038462 k( 208) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0038462 k( 209) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0038462 k( 210) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0038462 k( 211) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0038462 k( 212) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0038462 k( 213) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0038462 k( 214) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0038462 k( 215) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0038462 k( 216) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0038462 k( 217) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0038462 k( 218) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0038462 k( 219) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0038462 k( 220) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0038462 k( 221) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0038462 k( 222) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0038462 k( 223) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0038462 k( 224) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0038462 k( 225) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038462 k( 226) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038462 k( 227) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0038462 k( 228) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0038462 k( 229) = ( 0.5000000 0.5000000 0.0441177), wk = 0.0038462 k( 230) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0038462 k( 231) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0038462 k( 232) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0038462 k( 233) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0038462 k( 234) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0038462 k( 235) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0038462 k( 236) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0038462 k( 237) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0038462 k( 238) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0038462 k( 239) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0038462 k( 240) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0038462 k( 241) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0038462 k( 242) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0038462 k( 243) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0038462 k( 244) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0038462 k( 245) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0038462 k( 246) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0038462 k( 247) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0038462 k( 248) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0038462 k( 249) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0038462 k( 250) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0038462 k( 251) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0038462 k( 252) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0038462 k( 253) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0038462 k( 254) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0038462 k( 255) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0038462 k( 256) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0038462 k( 257) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0038462 k( 258) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0038462 k( 259) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0038462 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038462 Dense grid: 69239 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 30095 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 212, 48) NL pseudopotentials 0.24 Mb ( 106, 150) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1927) G-vector shells 0.00 Mb ( 426) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 212, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.22 Mb ( 150, 2, 48) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Ca3PN.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.2 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 6.6 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 9.1 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 10.5 secs Computing kpt #: 7 total cpu time spent up to now is 11.9 secs Computing kpt #: 8 total cpu time spent up to now is 13.1 secs Computing kpt #: 9 total cpu time spent up to now is 14.0 secs Computing kpt #: 10 total cpu time spent up to now is 14.9 secs Computing kpt #: 11 total cpu time spent up to now is 16.0 secs Computing kpt #: 12 total cpu time spent up to now is 16.8 secs Computing kpt #: 13 total cpu time spent up to now is 17.7 secs Computing kpt #: 14 total cpu time spent up to now is 18.6 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 20.0 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.4 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.8 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.2 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 25.6 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 27.0 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 28.4 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 29.9 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.2 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 32.7 secs Computing kpt #: 25 total cpu time spent up to now is 34.0 secs Computing kpt #: 26 total cpu time spent up to now is 34.8 secs Computing kpt #: 27 total cpu time spent up to now is 35.6 secs Computing kpt #: 28 total cpu time spent up to now is 36.3 secs Computing kpt #: 29 total cpu time spent up to now is 37.1 secs Computing kpt #: 30 total cpu time spent up to now is 37.8 secs Computing kpt #: 31 total cpu time spent up to now is 38.6 secs Computing kpt #: 32 total cpu time spent up to now is 39.3 secs Computing kpt #: 33 total cpu time spent up to now is 40.0 secs Computing kpt #: 34 total cpu time spent up to now is 40.7 secs Computing kpt #: 35 total cpu time spent up to now is 41.5 secs Computing kpt #: 36 total cpu time spent up to now is 42.2 secs Computing kpt #: 37 total cpu time spent up to now is 42.9 secs Computing kpt #: 38 total cpu time spent up to now is 43.7 secs Computing kpt #: 39 total cpu time spent up to now is 44.4 secs Computing kpt #: 40 total cpu time spent up to now is 45.2 secs Computing kpt #: 41 total cpu time spent up to now is 45.9 secs Computing kpt #: 42 total cpu time spent up to now is 46.7 secs Computing kpt #: 43 total cpu time spent up to now is 47.5 secs Computing kpt #: 44 total cpu time spent up to now is 48.4 secs Computing kpt #: 45 total cpu time spent up to now is 49.2 secs Computing kpt #: 46 total cpu time spent up to now is 50.5 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.9 secs Computing kpt #: 48 total cpu time spent up to now is 52.9 secs Computing kpt #: 49 total cpu time spent up to now is 53.9 secs Computing kpt #: 50 total cpu time spent up to now is 55.0 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.4 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.8 secs Computing kpt #: 53 total cpu time spent up to now is 59.1 secs Computing kpt #: 54 total cpu time spent up to now is 60.3 secs Computing kpt #: 55 total cpu time spent up to now is 61.5 secs Computing kpt #: 56 total cpu time spent up to now is 62.5 secs Computing kpt #: 57 total cpu time spent up to now is 63.5 secs Computing kpt #: 58 total cpu time spent up to now is 64.5 secs Computing kpt #: 59 total cpu time spent up to now is 65.5 secs Computing kpt #: 60 total cpu time spent up to now is 66.4 secs Computing kpt #: 61 total cpu time spent up to now is 67.3 secs Computing kpt #: 62 total cpu time spent up to now is 68.3 secs Computing kpt #: 63 total cpu time spent up to now is 69.3 secs Computing kpt #: 64 total cpu time spent up to now is 70.3 secs Computing kpt #: 65 total cpu time spent up to now is 71.2 secs Computing kpt #: 66 total cpu time spent up to now is 72.2 secs Computing kpt #: 67 total cpu time spent up to now is 73.2 secs Computing kpt #: 68 total cpu time spent up to now is 74.2 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.7 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.2 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 78.7 secs Computing kpt #: 72 total cpu time spent up to now is 79.9 secs Computing kpt #: 73 total cpu time spent up to now is 80.9 secs Computing kpt #: 74 total cpu time spent up to now is 81.9 secs Computing kpt #: 75 total cpu time spent up to now is 82.8 secs Computing kpt #: 76 total cpu time spent up to now is 83.8 secs Computing kpt #: 77 total cpu time spent up to now is 84.8 secs Computing kpt #: 78 total cpu time spent up to now is 85.8 secs Computing kpt #: 79 total cpu time spent up to now is 86.8 secs Computing kpt #: 80 total cpu time spent up to now is 87.8 secs Computing kpt #: 81 total cpu time spent up to now is 88.8 secs Computing kpt #: 82 total cpu time spent up to now is 90.0 secs Computing kpt #: 83 total cpu time spent up to now is 91.1 secs Computing kpt #: 84 total cpu time spent up to now is 92.5 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.9 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.4 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.8 secs Computing kpt #: 88 total cpu time spent up to now is 98.0 secs Computing kpt #: 89 total cpu time spent up to now is 98.8 secs Computing kpt #: 90 total cpu time spent up to now is 99.5 secs Computing kpt #: 91 total cpu time spent up to now is 100.3 secs Computing kpt #: 92 total cpu time spent up to now is 101.0 secs Computing kpt #: 93 total cpu time spent up to now is 101.8 secs Computing kpt #: 94 total cpu time spent up to now is 102.6 secs Computing kpt #: 95 total cpu time spent up to now is 103.4 secs Computing kpt #: 96 total cpu time spent up to now is 104.2 secs Computing kpt #: 97 total cpu time spent up to now is 104.9 secs Computing kpt #: 98 total cpu time spent up to now is 105.7 secs Computing kpt #: 99 total cpu time spent up to now is 106.5 secs Computing kpt #: 100 total cpu time spent up to now is 107.3 secs Computing kpt #: 101 total cpu time spent up to now is 108.1 secs Computing kpt #: 102 total cpu time spent up to now is 108.9 secs Computing kpt #: 103 total cpu time spent up to now is 109.6 secs Computing kpt #: 104 total cpu time spent up to now is 110.4 secs Computing kpt #: 105 total cpu time spent up to now is 111.3 secs Computing kpt #: 106 total cpu time spent up to now is 112.1 secs Computing kpt #: 107 total cpu time spent up to now is 113.0 secs Computing kpt #: 108 total cpu time spent up to now is 113.8 secs Computing kpt #: 109 total cpu time spent up to now is 114.8 secs Computing kpt #: 110 total cpu time spent up to now is 115.6 secs Computing kpt #: 111 total cpu time spent up to now is 116.5 secs Computing kpt #: 112 total cpu time spent up to now is 117.8 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 119.2 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.7 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.1 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.4 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 124.8 secs Computing kpt #: 118 total cpu time spent up to now is 125.4 secs Computing kpt #: 119 total cpu time spent up to now is 126.0 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.3 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.7 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.1 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 131.5 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.9 secs Computing kpt #: 125 total cpu time spent up to now is 133.9 secs Computing kpt #: 126 total cpu time spent up to now is 134.7 secs Computing kpt #: 127 total cpu time spent up to now is 135.6 secs Computing kpt #: 128 total cpu time spent up to now is 136.5 secs Computing kpt #: 129 total cpu time spent up to now is 137.3 secs Computing kpt #: 130 total cpu time spent up to now is 138.1 secs Computing kpt #: 131 total cpu time spent up to now is 139.0 secs Computing kpt #: 132 total cpu time spent up to now is 139.9 secs Computing kpt #: 133 total cpu time spent up to now is 140.8 secs Computing kpt #: 134 total cpu time spent up to now is 141.7 secs Computing kpt #: 135 total cpu time spent up to now is 142.6 secs Computing kpt #: 136 total cpu time spent up to now is 143.4 secs Computing kpt #: 137 total cpu time spent up to now is 144.3 secs Computing kpt #: 138 total cpu time spent up to now is 145.2 secs Computing kpt #: 139 total cpu time spent up to now is 146.1 secs Computing kpt #: 140 total cpu time spent up to now is 147.0 secs Computing kpt #: 141 total cpu time spent up to now is 147.8 secs Computing kpt #: 142 total cpu time spent up to now is 148.8 secs Computing kpt #: 143 total cpu time spent up to now is 149.7 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.1 secs Computing kpt #: 145 total cpu time spent up to now is 152.0 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.4 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 154.8 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 156.3 secs Computing kpt #: 149 total cpu time spent up to now is 157.2 secs Computing kpt #: 150 total cpu time spent up to now is 158.0 secs Computing kpt #: 151 total cpu time spent up to now is 158.8 secs Computing kpt #: 152 total cpu time spent up to now is 159.5 secs Computing kpt #: 153 total cpu time spent up to now is 160.3 secs Computing kpt #: 154 total cpu time spent up to now is 161.0 secs Computing kpt #: 155 total cpu time spent up to now is 161.9 secs Computing kpt #: 156 total cpu time spent up to now is 163.1 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.5 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.9 secs Computing kpt #: 159 total cpu time spent up to now is 167.0 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 168.5 secs Computing kpt #: 161 total cpu time spent up to now is 169.5 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 170.9 secs Computing kpt #: 163 total cpu time spent up to now is 171.7 secs Computing kpt #: 164 total cpu time spent up to now is 172.4 secs Computing kpt #: 165 total cpu time spent up to now is 173.2 secs Computing kpt #: 166 total cpu time spent up to now is 173.9 secs Computing kpt #: 167 total cpu time spent up to now is 174.6 secs Computing kpt #: 168 total cpu time spent up to now is 175.3 secs Computing kpt #: 169 total cpu time spent up to now is 176.0 secs Computing kpt #: 170 total cpu time spent up to now is 176.7 secs Computing kpt #: 171 total cpu time spent up to now is 177.4 secs Computing kpt #: 172 total cpu time spent up to now is 178.1 secs Computing kpt #: 173 total cpu time spent up to now is 178.8 secs Computing kpt #: 174 total cpu time spent up to now is 179.5 secs Computing kpt #: 175 total cpu time spent up to now is 180.3 secs Computing kpt #: 176 total cpu time spent up to now is 181.0 secs Computing kpt #: 177 total cpu time spent up to now is 181.6 secs Computing kpt #: 178 total cpu time spent up to now is 182.3 secs Computing kpt #: 179 total cpu time spent up to now is 183.0 secs Computing kpt #: 180 total cpu time spent up to now is 183.7 secs Computing kpt #: 181 total cpu time spent up to now is 184.4 secs Computing kpt #: 182 total cpu time spent up to now is 185.1 secs Computing kpt #: 183 total cpu time spent up to now is 185.8 secs Computing kpt #: 184 total cpu time spent up to now is 186.6 secs Computing kpt #: 185 total cpu time spent up to now is 187.2 secs Computing kpt #: 186 total cpu time spent up to now is 188.0 secs Computing kpt #: 187 total cpu time spent up to now is 188.7 secs Computing kpt #: 188 total cpu time spent up to now is 189.4 secs Computing kpt #: 189 total cpu time spent up to now is 190.2 secs Computing kpt #: 190 total cpu time spent up to now is 191.0 secs Computing kpt #: 191 total cpu time spent up to now is 191.8 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.2 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 194.6 secs Computing kpt #: 194 total cpu time spent up to now is 195.7 secs Computing kpt #: 195 total cpu time spent up to now is 197.1 secs Computing kpt #: 196 total cpu time spent up to now is 198.2 secs Computing kpt #: 197 total cpu time spent up to now is 199.2 secs Computing kpt #: 198 total cpu time spent up to now is 200.2 secs Computing kpt #: 199 total cpu time spent up to now is 201.2 secs Computing kpt #: 200 total cpu time spent up to now is 202.0 secs Computing kpt #: 201 total cpu time spent up to now is 202.7 secs Computing kpt #: 202 total cpu time spent up to now is 203.5 secs Computing kpt #: 203 total cpu time spent up to now is 204.3 secs Computing kpt #: 204 total cpu time spent up to now is 205.1 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 206.5 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.9 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 209.7 secs Computing kpt #: 208 total cpu time spent up to now is 210.6 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.9 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 213.3 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.6 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.1 secs Computing kpt #: 213 total cpu time spent up to now is 217.4 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.8 secs Computing kpt #: 215 total cpu time spent up to now is 219.8 secs Computing kpt #: 216 total cpu time spent up to now is 220.6 secs Computing kpt #: 217 total cpu time spent up to now is 221.4 secs Computing kpt #: 218 total cpu time spent up to now is 222.3 secs Computing kpt #: 219 total cpu time spent up to now is 223.1 secs Computing kpt #: 220 total cpu time spent up to now is 223.9 secs Computing kpt #: 221 total cpu time spent up to now is 224.6 secs Computing kpt #: 222 total cpu time spent up to now is 225.4 secs Computing kpt #: 223 total cpu time spent up to now is 226.2 secs Computing kpt #: 224 total cpu time spent up to now is 226.9 secs Computing kpt #: 225 total cpu time spent up to now is 227.7 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.2 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 230.7 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.2 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.6 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 235.1 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.5 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 237.9 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.4 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.8 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 242.3 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.7 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.1 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 246.6 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.0 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.4 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 250.9 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 252.3 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 253.8 secs Computing kpt #: 244 total cpu time spent up to now is 254.6 secs Computing kpt #: 245 total cpu time spent up to now is 255.4 secs Computing kpt #: 246 total cpu time spent up to now is 256.2 secs Computing kpt #: 247 total cpu time spent up to now is 256.9 secs Computing kpt #: 248 total cpu time spent up to now is 257.7 secs Computing kpt #: 249 total cpu time spent up to now is 258.4 secs Computing kpt #: 250 total cpu time spent up to now is 259.1 secs Computing kpt #: 251 total cpu time spent up to now is 259.9 secs Computing kpt #: 252 total cpu time spent up to now is 260.7 secs Computing kpt #: 253 total cpu time spent up to now is 261.4 secs Computing kpt #: 254 total cpu time spent up to now is 262.1 secs Computing kpt #: 255 total cpu time spent up to now is 262.8 secs Computing kpt #: 256 total cpu time spent up to now is 263.5 secs Computing kpt #: 257 total cpu time spent up to now is 264.2 secs Computing kpt #: 258 total cpu time spent up to now is 265.0 secs Computing kpt #: 259 total cpu time spent up to now is 265.6 secs Computing kpt #: 260 total cpu time spent up to now is 266.3 secs ethr = 2.50E-08, avg # of iterations = 71.0 total cpu time spent up to now is 266.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -32.4963 -32.4963 -32.3887 -32.3887 -32.3887 -32.3887 -13.8863 -13.8863 -13.8863 -13.8863 -13.7468 -13.7468 -13.4943 -13.4943 -13.4943 -13.4943 -13.4041 -13.4041 -13.3615 -13.3615 -13.1191 -13.1191 -13.1191 -13.1191 -4.6210 -4.6210 -1.3290 -1.3290 6.4563 6.4563 6.4659 6.4659 6.4659 6.4659 7.6699 7.6699 7.7035 7.7035 7.7035 7.7035 8.5214 8.5214 8.5214 8.5214 9.0855 9.0855 9.4818 9.4825 k = 0.0000 0.0147-0.0000 ( 3775 PWs) bands (ev): -32.4963 -32.4963 -32.3887 -32.3887 -32.3887 -32.3887 -13.8863 -13.8863 -13.8861 -13.8861 -13.7467 -13.7467 -13.4943 -13.4943 -13.4942 -13.4942 -13.4041 -13.4041 -13.3615 -13.3615 -13.1194 -13.1194 -13.1192 -13.1192 -4.6201 -4.6201 -1.3285 -1.3285 6.4537 6.4537 6.4631 6.4631 6.4658 6.4658 7.6637 7.6637 7.6952 7.6952 7.7004 7.7004 8.5231 8.5231 8.5294 8.5294 9.0942 9.0942 9.4838 9.4857 k = 0.0000 0.0294-0.0000 ( 3767 PWs) bands (ev): -32.4961 -32.4961 -32.3889 -32.3889 -32.3887 -32.3887 -13.8860 -13.8860 -13.8857 -13.8857 -13.7465 -13.7465 -13.4943 -13.4943 -13.4941 -13.4941 -13.4041 -13.4041 -13.3618 -13.3618 -13.1202 -13.1202 -13.1194 -13.1194 -4.6175 -4.6175 -1.3270 -1.3270 6.4404 6.4404 6.4603 6.4603 6.4656 6.4656 7.6402 7.6402 7.6769 7.6769 7.6909 7.6909 8.5281 8.5281 8.5518 8.5518 9.1201 9.1201 9.4859 9.4960 k = 0.0000 0.0441-0.0000 ( 3767 PWs) bands (ev): -32.4959 -32.4959 -32.3891 -32.3891 -32.3887 -32.3887 -13.8858 -13.8858 -13.8851 -13.8851 -13.7462 -13.7462 -13.4945 -13.4945 -13.4939 -13.4939 -13.4043 -13.4043 -13.3622 -13.3622 -13.1216 -13.1216 -13.1198 -13.1198 -4.6131 -4.6131 -1.3245 -1.3245 6.4151 6.4151 6.4593 6.4593 6.4653 6.4653 7.5949 7.5949 7.6573 7.6573 7.6755 7.6755 8.5365 8.5365 8.5846 8.5847 9.1629 9.1629 9.4903 9.4903 k = 0.0000 0.0588-0.0000 ( 3775 PWs) bands (ev): -32.4955 -32.4955 -32.3895 -32.3895 -32.3887 -32.3887 -13.8854 -13.8854 -13.8842 -13.8842 -13.7458 -13.7458 -13.4946 -13.4946 -13.4937 -13.4937 -13.4046 -13.4046 -13.3628 -13.3628 -13.1236 -13.1236 -13.1204 -13.1204 -4.6070 -4.6070 -1.3211 -1.3211 6.3800 6.3800 6.4586 6.4586 6.4649 6.4649 7.5340 7.5340 7.6353 7.6353 7.6547 7.6547 8.5482 8.5482 8.6237 8.6237 9.2216 9.2216 9.4964 9.4964 k = 0.0000 0.0735-0.0000 ( 3783 PWs) bands (ev): -32.4951 -32.4951 -32.3899 -32.3899 -32.3887 -32.3887 -13.8849 -13.8849 -13.8830 -13.8830 -13.7454 -13.7454 -13.4948 -13.4948 -13.4934 -13.4934 -13.4050 -13.4050 -13.3636 -13.3636 -13.1262 -13.1262 -13.1212 -13.1212 -4.5993 -4.5993 -1.3167 -1.3167 6.3364 6.3364 6.4578 6.4578 6.4644 6.4644 7.4633 7.4633 7.6095 7.6095 7.6291 7.6291 8.5632 8.5632 8.6660 8.6660 9.2948 9.2948 9.5042 9.5042 k = 0.0000 0.0882-0.0000 ( 3791 PWs) bands (ev): -32.4945 -32.4945 -32.3905 -32.3905 -32.3887 -32.3887 -13.8843 -13.8843 -13.8816 -13.8816 -13.7448 -13.7448 -13.4951 -13.4951 -13.4930 -13.4930 -13.4054 -13.4054 -13.3645 -13.3645 -13.1292 -13.1292 -13.1221 -13.1221 -4.5899 -4.5899 -1.3114 -1.3114 6.2853 6.2853 6.4570 6.4570 6.4638 6.4638 7.3862 7.3862 7.5800 7.5800 7.5993 7.5993 8.5814 8.5814 8.7098 8.7098 9.3804 9.3804 9.5136 9.5137 k = 0.0000 0.1029-0.0000 ( 3791 PWs) bands (ev): -32.4938 -32.4938 -32.3912 -32.3912 -32.3887 -32.3887 -13.8836 -13.8836 -13.8799 -13.8799 -13.7441 -13.7441 -13.4955 -13.4955 -13.4925 -13.4925 -13.4059 -13.4059 -13.3656 -13.3656 -13.1328 -13.1328 -13.1231 -13.1231 -4.5791 -4.5791 -1.3052 -1.3052 6.2279 6.2279 6.4562 6.4562 6.4632 6.4632 7.3048 7.3048 7.5473 7.5473 7.5662 7.5662 8.6028 8.6028 8.7546 8.7546 9.4763 9.4763 9.5248 9.5248 k = 0.0000 0.1176-0.0000 ( 3783 PWs) bands (ev): -32.4931 -32.4931 -32.3919 -32.3919 -32.3887 -32.3887 -13.8828 -13.8828 -13.8779 -13.8779 -13.7434 -13.7434 -13.4959 -13.4959 -13.4919 -13.4919 -13.4065 -13.4065 -13.3667 -13.3667 -13.1367 -13.1367 -13.1243 -13.1243 -4.5667 -4.5667 -1.2982 -1.2982 6.1654 6.1654 6.4553 6.4553 6.4625 6.4625 7.2205 7.2205 7.5119 7.5119 7.5302 7.5302 8.6273 8.6273 8.8001 8.8001 9.5377 9.5377 9.5803 9.5803 k = 0.0000 0.1324-0.0000 ( 3783 PWs) bands (ev): -32.4922 -32.4922 -32.3927 -32.3927 -32.3887 -32.3887 -13.8819 -13.8819 -13.8757 -13.8757 -13.7425 -13.7425 -13.4963 -13.4963 -13.4913 -13.4913 -13.4072 -13.4072 -13.3678 -13.3678 -13.1412 -13.1412 -13.1256 -13.1256 -4.5530 -4.5530 -1.2904 -1.2904 6.0987 6.0987 6.4544 6.4544 6.4619 6.4619 7.1343 7.1343 7.4744 7.4744 7.4921 7.4921 8.6549 8.6549 8.8466 8.8466 9.5521 9.5521 9.6904 9.6904 k = 0.0000 0.1471-0.0000 ( 3783 PWs) bands (ev): -32.4913 -32.4913 -32.3936 -32.3936 -32.3887 -32.3887 -13.8810 -13.8810 -13.8732 -13.8732 -13.7417 -13.7417 -13.4969 -13.4969 -13.4905 -13.4905 -13.4079 -13.4079 -13.3690 -13.3690 -13.1462 -13.1462 -13.1270 -13.1270 -4.5381 -4.5381 -1.2819 -1.2819 6.0290 6.0290 6.4536 6.4536 6.4614 6.4614 7.0471 7.0471 7.4354 7.4354 7.4524 7.4524 8.6855 8.6855 8.8942 8.8942 9.5681 9.5681 9.8049 9.8049 k = 0.0000 0.1618-0.0000 ( 3799 PWs) bands (ev): -32.4903 -32.4903 -32.3946 -32.3946 -32.3887 -32.3887 -13.8800 -13.8800 -13.8706 -13.8706 -13.7408 -13.7408 -13.4977 -13.4977 -13.4897 -13.4897 -13.4088 -13.4088 -13.3703 -13.3703 -13.1516 -13.1516 -13.1286 -13.1286 -4.5220 -4.5220 -1.2727 -1.2727 5.9572 5.9572 6.4528 6.4528 6.4609 6.4609 6.9592 6.9592 7.3953 7.3953 7.4115 7.4115 8.7189 8.7189 8.9431 8.9431 9.5857 9.5857 9.9222 9.9222 k = 0.0000 0.1765-0.0000 ( 3795 PWs) bands (ev): -32.4892 -32.4892 -32.3957 -32.3957 -32.3886 -32.3886 -13.8789 -13.8789 -13.8676 -13.8676 -13.7399 -13.7399 -13.4985 -13.4985 -13.4888 -13.4888 -13.4096 -13.4096 -13.3715 -13.3715 -13.1573 -13.1573 -13.1302 -13.1302 -4.5049 -4.5049 -1.2630 -1.2630 5.8841 5.8841 6.4521 6.4521 6.4606 6.4606 6.8713 6.8713 7.3546 7.3546 7.3700 7.3700 8.7550 8.7550 8.9934 8.9934 9.6047 9.6047 10.0394 10.0394 k = 0.0000 0.1912-0.0000 ( 3791 PWs) bands (ev): -32.4880 -32.4880 -32.3969 -32.3969 -32.3886 -32.3886 -13.8778 -13.8778 -13.8644 -13.8644 -13.7390 -13.7390 -13.4994 -13.4994 -13.4878 -13.4878 -13.4106 -13.4106 -13.3726 -13.3726 -13.1634 -13.1634 -13.1320 -13.1320 -4.4868 -4.4868 -1.2527 -1.2527 5.8105 5.8105 6.4516 6.4516 6.4605 6.4605 6.7838 6.7838 7.3136 7.3136 7.3282 7.3282 8.7937 8.7937 9.0453 9.0453 9.6252 9.6252 10.1325 10.1327 k = 0.0000 0.2059-0.0000 ( 3791 PWs) bands (ev): -32.4867 -32.4867 -32.3981 -32.3981 -32.3886 -32.3886 -13.8766 -13.8766 -13.8610 -13.8610 -13.7381 -13.7381 -13.5004 -13.5004 -13.4867 -13.4867 -13.4116 -13.4116 -13.3736 -13.3736 -13.1698 -13.1698 -13.1338 -13.1338 -4.4681 -4.4681 -1.2420 -1.2420 5.7372 5.7372 6.4512 6.4512 6.4606 6.4606 6.6969 6.6969 7.2725 7.2725 7.2864 7.2864 8.8348 8.8348 9.0986 9.0986 9.6470 9.6470 10.2180 10.2184 k = 0.0000 0.2206-0.0000 ( 3787 PWs) bands (ev): -32.4854 -32.4854 -32.3994 -32.3994 -32.3886 -32.3886 -13.8753 -13.8753 -13.8575 -13.8575 -13.7373 -13.7373 -13.5016 -13.5016 -13.4855 -13.4855 -13.4127 -13.4127 -13.3744 -13.3744 -13.1765 -13.1765 -13.1356 -13.1356 -4.4487 -4.4487 -1.2310 -1.2310 5.6646 5.6646 6.4511 6.4511 6.4610 6.4610 6.6113 6.6113 7.2318 7.2318 7.2449 7.2449 8.8782 8.8782 9.1535 9.1535 9.6701 9.6701 10.3053 10.3060 k = 0.0000 0.2353-0.0000 ( 3783 PWs) bands (ev): -32.4840 -32.4840 -32.4008 -32.4008 -32.3886 -32.3886 -13.8741 -13.8741 -13.8536 -13.8536 -13.7365 -13.7365 -13.5030 -13.5030 -13.4842 -13.4842 -13.4139 -13.4139 -13.3751 -13.3751 -13.1834 -13.1834 -13.1375 -13.1375 -4.4289 -4.4289 -1.2197 -1.2197 5.5934 5.5934 6.4510 6.4510 6.4618 6.4618 6.5273 6.5273 7.1916 7.1916 7.2039 7.2039 8.9236 8.9236 9.2100 9.2100 9.6943 9.6943 10.3948 10.3980 k = 0.0000 0.2500-0.0000 ( 3791 PWs) bands (ev): -32.4825 -32.4825 -32.4022 -32.4022 -32.3886 -32.3886 -13.8728 -13.8728 -13.8497 -13.8497 -13.7358 -13.7358 -13.5045 -13.5045 -13.4829 -13.4829 -13.4153 -13.4153 -13.3756 -13.3756 -13.1906 -13.1906 -13.1394 -13.1394 -4.4089 -4.4089 -1.2082 -1.2082 5.5241 5.5241 6.4404 6.4404 6.4560 6.4560 6.4629 6.4629 7.1522 7.1522 7.1636 7.1636 8.9708 8.9708 9.2678 9.2678 9.7196 9.7196 10.4862 10.4926 k = 0.0000 0.2647-0.0000 ( 3779 PWs) bands (ev): -32.4810 -32.4810 -32.4037 -32.4037 -32.3885 -32.3885 -13.8715 -13.8715 -13.8456 -13.8456 -13.7352 -13.7352 -13.5061 -13.5061 -13.4813 -13.4813 -13.4166 -13.4166 -13.3757 -13.3757 -13.1978 -13.1978 -13.1414 -13.1414 -4.3887 -4.3887 -1.1967 -1.1967 5.4569 5.4569 6.3635 6.3635 6.4536 6.4536 6.4645 6.4645 7.1137 7.1137 7.1242 7.1242 9.0195 9.0195 9.3270 9.3270 9.7459 9.7459 10.5790 10.5810 k = 0.0000 0.2794-0.0000 ( 3787 PWs) bands (ev): -32.4794 -32.4794 -32.4053 -32.4053 -32.3885 -32.3885 -13.8703 -13.8703 -13.8413 -13.8413 -13.7348 -13.7348 -13.5079 -13.5079 -13.4798 -13.4798 -13.4181 -13.4181 -13.3757 -13.3757 -13.2053 -13.2053 -13.1433 -13.1433 -4.3686 -4.3686 -1.1851 -1.1851 5.3924 5.3924 6.2860 6.2860 6.4548 6.4548 6.4665 6.4665 7.0762 7.0762 7.0859 7.0859 9.0695 9.0695 9.3875 9.3875 9.7729 9.7729 10.6729 10.6733 k = 0.0000 0.2941-0.0000 ( 3779 PWs) bands (ev): -32.4778 -32.4778 -32.4068 -32.4068 -32.3885 -32.3885 -13.8691 -13.8691 -13.8368 -13.8368 -13.7344 -13.7344 -13.5097 -13.5097 -13.4782 -13.4782 -13.4196 -13.4196 -13.3753 -13.3753 -13.2128 -13.2128 -13.1451 -13.1451 -4.3487 -4.3487 -1.1738 -1.1738 5.3309 5.3309 6.2114 6.2114 6.4565 6.4565 6.4690 6.4690 7.0399 7.0399 7.0487 7.0487 9.1204 9.1204 9.4491 9.4491 9.8007 9.8007 10.7679 10.7695 k = 0.0000 0.3088-0.0000 ( 3763 PWs) bands (ev): -32.4762 -32.4762 -32.4084 -32.4084 -32.3885 -32.3885 -13.8678 -13.8678 -13.8322 -13.8322 -13.7343 -13.7343 -13.5116 -13.5116 -13.4764 -13.4764 -13.4212 -13.4212 -13.3745 -13.3745 -13.2203 -13.2203 -13.1470 -13.1470 -4.3292 -4.3292 -1.1626 -1.1626 5.2726 5.2726 6.1399 6.1399 6.4588 6.4588 6.4721 6.4721 7.0050 7.0050 7.0128 7.0128 9.1718 9.1718 9.5116 9.5116 9.8289 9.8289 10.8632 10.8690 k = 0.0000 0.3235-0.0000 ( 3771 PWs) bands (ev): -32.4746 -32.4746 -32.4101 -32.4101 -32.3885 -32.3885 -13.8666 -13.8666 -13.8277 -13.8277 -13.7344 -13.7344 -13.5137 -13.5137 -13.4746 -13.4746 -13.4229 -13.4229 -13.3735 -13.3735 -13.2278 -13.2278 -13.1488 -13.1488 -4.3103 -4.3103 -1.1518 -1.1518 5.2177 5.2177 6.0721 6.0721 6.4615 6.4615 6.4757 6.4757 6.9715 6.9715 6.9782 6.9782 9.2233 9.2233 9.5746 9.5746 9.8573 9.8573 10.9585 10.9644 k = 0.0000 0.3382-0.0000 ( 3767 PWs) bands (ev): -32.4729 -32.4729 -32.4117 -32.4117 -32.3884 -32.3884 -13.8655 -13.8655 -13.8229 -13.8229 -13.7347 -13.7347 -13.5157 -13.5157 -13.4727 -13.4727 -13.4247 -13.4247 -13.3721 -13.3721 -13.2353 -13.2353 -13.1505 -13.1505 -4.2922 -4.2922 -1.1414 -1.1414 5.1666 5.1666 6.0083 6.0083 6.4648 6.4648 6.4800 6.4800 6.9395 6.9395 6.9452 6.9452 9.2744 9.2744 9.6380 9.6380 9.8857 9.8857 11.0519 11.0532 k = 0.0000 0.3529-0.0000 ( 3768 PWs) bands (ev): -32.4712 -32.4712 -32.4133 -32.4133 -32.3884 -32.3884 -13.8645 -13.8645 -13.8182 -13.8182 -13.7353 -13.7353 -13.5178 -13.5178 -13.4708 -13.4708 -13.4266 -13.4266 -13.3704 -13.3704 -13.2428 -13.2428 -13.1521 -13.1521 -4.2750 -4.2750 -1.1315 -1.1315 5.1194 5.1194 5.9487 5.9487 6.4686 6.4686 6.4848 6.4848 6.9093 6.9093 6.9138 6.9138 9.3246 9.3246 9.7013 9.7013 9.9138 9.9138 11.1071 11.1071 k = 0.0000 0.3676-0.0000 ( 3772 PWs) bands (ev): -32.4696 -32.4696 -32.4149 -32.4149 -32.3884 -32.3884 -13.8635 -13.8635 -13.8135 -13.8135 -13.7361 -13.7361 -13.5198 -13.5198 -13.4688 -13.4688 -13.4286 -13.4286 -13.3684 -13.3684 -13.2500 -13.2500 -13.1536 -13.1536 -4.2588 -4.2588 -1.1223 -1.1223 5.0763 5.0763 5.8937 5.8937 6.4728 6.4728 6.4901 6.4901 6.8808 6.8808 6.8840 6.8840 9.3731 9.3731 9.7640 9.7640 9.9413 9.9413 11.1320 11.1320 k = 0.0000 0.3824-0.0000 ( 3772 PWs) bands (ev): -32.4680 -32.4680 -32.4165 -32.4165 -32.3884 -32.3884 -13.8626 -13.8626 -13.8088 -13.8088 -13.7372 -13.7372 -13.5217 -13.5217 -13.4667 -13.4667 -13.4305 -13.4305 -13.3661 -13.3661 -13.2572 -13.2572 -13.1550 -13.1550 -4.2439 -4.2439 -1.1138 -1.1138 5.0373 5.0373 5.8436 5.8436 6.4775 6.4775 6.4960 6.4960 6.8542 6.8542 6.8561 6.8561 9.4195 9.4195 9.8255 9.8255 9.9679 9.9679 11.1447 11.1448 k = 0.0000 0.3971-0.0000 ( 3760 PWs) bands (ev): -32.4665 -32.4665 -32.4180 -32.4180 -32.3884 -32.3884 -13.8618 -13.8618 -13.8041 -13.8041 -13.7385 -13.7385 -13.5235 -13.5235 -13.4645 -13.4645 -13.4325 -13.4325 -13.3636 -13.3636 -13.2639 -13.2639 -13.1563 -13.1563 -4.2304 -4.2304 -1.1060 -1.1060 5.0028 5.0028 5.7987 5.7987 6.4825 6.4825 6.5024 6.5024 6.8298 6.8298 6.8302 6.8302 9.4630 9.4630 9.8849 9.8849 9.9930 9.9930 11.1473 11.1473 k = 0.0000 0.4118-0.0000 ( 3760 PWs) bands (ev): -32.4650 -32.4650 -32.4194 -32.4194 -32.3884 -32.3884 -13.8611 -13.8611 -13.7997 -13.7997 -13.7400 -13.7400 -13.5252 -13.5252 -13.4623 -13.4623 -13.4347 -13.4347 -13.3609 -13.3609 -13.2704 -13.2704 -13.1574 -13.1574 -4.2185 -4.2185 -1.0992 -1.0992 4.9726 4.9726 5.7592 5.7592 6.4876 6.4876 6.5090 6.5090 6.8065 6.8065 6.8076 6.8076 9.5028 9.5028 9.9413 9.9413 10.0162 10.0162 11.1418 11.1418 k = 0.0000 0.4265-0.0000 ( 3760 PWs) bands (ev): -32.4637 -32.4637 -32.4207 -32.4207 -32.3884 -32.3884 -13.8605 -13.8605 -13.7955 -13.7955 -13.7416 -13.7416 -13.5266 -13.5266 -13.4600 -13.4600 -13.4369 -13.4369 -13.3581 -13.3581 -13.2763 -13.2763 -13.1584 -13.1584 -4.2081 -4.2081 -1.0932 -1.0932 4.9470 4.9470 5.7254 5.7254 6.4928 6.4928 6.5158 6.5158 6.7852 6.7852 6.7880 6.7880 9.5382 9.5382 9.9935 9.9935 10.0371 10.0371 11.1303 11.1303 k = 0.0000 0.4412-0.0000 ( 3768 PWs) bands (ev): -32.4626 -32.4626 -32.4219 -32.4219 -32.3884 -32.3884 -13.8600 -13.8600 -13.7917 -13.7917 -13.7434 -13.7434 -13.5279 -13.5279 -13.4578 -13.4578 -13.4391 -13.4391 -13.3553 -13.3553 -13.2818 -13.2818 -13.1592 -13.1592 -4.1995 -4.1995 -1.0883 -1.0883 4.9260 4.9260 5.6974 5.6974 6.4977 6.4977 6.5224 6.5224 6.7667 6.7667 6.7712 6.7712 9.5684 9.5684 10.0400 10.0400 10.0551 10.0551 11.1155 11.1155 k = 0.0000 0.4559-0.0000 ( 3784 PWs) bands (ev): -32.4617 -32.4617 -32.4228 -32.4228 -32.3884 -32.3884 -13.8596 -13.8596 -13.7884 -13.7884 -13.7451 -13.7451 -13.5289 -13.5289 -13.4555 -13.4555 -13.4413 -13.4413 -13.3529 -13.3529 -13.2864 -13.2864 -13.1599 -13.1599 -4.1927 -4.1927 -1.0844 -1.0844 4.9096 4.9096 5.6754 5.6754 6.5021 6.5021 6.5283 6.5283 6.7513 6.7513 6.7575 6.7575 9.5928 9.5928 10.0697 10.0697 10.0789 10.0789 11.0999 11.0999 k = 0.0000 0.4706-0.0000 ( 3784 PWs) bands (ev): -32.4610 -32.4610 -32.4235 -32.4235 -32.3884 -32.3884 -13.8593 -13.8593 -13.7858 -13.7858 -13.7466 -13.7466 -13.5296 -13.5296 -13.4532 -13.4532 -13.4436 -13.4436 -13.3508 -13.3508 -13.2900 -13.2900 -13.1603 -13.1603 -4.1878 -4.1878 -1.0816 -1.0816 4.8978 4.8978 5.6597 5.6597 6.5056 6.5056 6.5332 6.5332 6.7398 6.7398 6.7473 6.7473 9.6107 9.6107 10.0806 10.0806 10.1086 10.1086 11.0864 11.0864 k = 0.0000 0.4853-0.0000 ( 3772 PWs) bands (ev): -32.4605 -32.4605 -32.4240 -32.4240 -32.3884 -32.3884 -13.8590 -13.8590 -13.7841 -13.7841 -13.7475 -13.7475 -13.5300 -13.5300 -13.4510 -13.4510 -13.4457 -13.4457 -13.3494 -13.3494 -13.2923 -13.2923 -13.1606 -13.1606 -4.1848 -4.1848 -1.0799 -1.0799 4.8908 4.8908 5.6502 5.6502 6.5079 6.5079 6.5365 6.5365 6.7325 6.7325 6.7410 6.7410 9.6217 9.6217 10.0872 10.0872 10.1273 10.1273 11.0772 11.0772 k = 0.0000 0.5000-0.0000 ( 3764 PWs) bands (ev): -32.4604 -32.4604 -32.4241 -32.4241 -32.3883 -32.3883 -13.8589 -13.8589 -13.7834 -13.7834 -13.7479 -13.7479 -13.5301 -13.5301 -13.4494 -13.4494 -13.4472 -13.4472 -13.3488 -13.3488 -13.2931 -13.2931 -13.1607 -13.1607 -4.1838 -4.1838 -1.0793 -1.0793 4.8884 4.8884 5.6470 5.6470 6.5087 6.5087 6.5376 6.5376 6.7300 6.7300 6.7389 6.7389 9.6254 9.6254 10.0895 10.0895 10.1337 10.1337 11.0739 11.0739 k = 0.0000 0.5000-0.0000 ( 3764 PWs) bands (ev): -32.4604 -32.4604 -32.4241 -32.4241 -32.3883 -32.3883 -13.8589 -13.8589 -13.7834 -13.7834 -13.7479 -13.7479 -13.5301 -13.5301 -13.4494 -13.4494 -13.4472 -13.4472 -13.3488 -13.3488 -13.2931 -13.2931 -13.1607 -13.1607 -4.1838 -4.1838 -1.0793 -1.0793 4.8884 4.8884 5.6470 5.6470 6.5087 6.5087 6.5376 6.5376 6.7300 6.7300 6.7389 6.7389 9.6254 9.6254 10.0895 10.0895 10.1337 10.1337 11.0739 11.0739 k = 0.0147 0.5000-0.0000 ( 3774 PWs) bands (ev): -32.4603 -32.4603 -32.4241 -32.4241 -32.3884 -32.3884 -13.8590 -13.8590 -13.7837 -13.7837 -13.7478 -13.7478 -13.5302 -13.5302 -13.4523 -13.4523 -13.4443 -13.4443 -13.3497 -13.3497 -13.2924 -13.2924 -13.1606 -13.1606 -4.1830 -4.1830 -1.0790 -1.0790 4.8888 4.8888 5.6444 5.6444 6.5082 6.5082 6.5371 6.5371 6.7284 6.7284 6.7375 6.7375 9.6278 9.6278 10.0910 10.0910 10.1369 10.1369 11.0744 11.0744 k = 0.0294 0.5000-0.0000 ( 3778 PWs) bands (ev): -32.4602 -32.4602 -32.4241 -32.4241 -32.3885 -32.3885 -13.8589 -13.8589 -13.7846 -13.7846 -13.7477 -13.7477 -13.5304 -13.5304 -13.4560 -13.4560 -13.4404 -13.4404 -13.3520 -13.3520 -13.2903 -13.2903 -13.1603 -13.1603 -4.1805 -4.1805 -1.0782 -1.0782 4.8900 4.8900 5.6366 5.6366 6.5067 6.5067 6.5355 6.5355 6.7227 6.7227 6.7340 6.7340 9.6353 9.6353 10.0955 10.0955 10.1467 10.1467 11.0758 11.0758 k = 0.0441 0.5000-0.0000 ( 3778 PWs) bands (ev): -32.4600 -32.4600 -32.4241 -32.4241 -32.3887 -32.3887 -13.8588 -13.8588 -13.7859 -13.7859 -13.7474 -13.7474 -13.5306 -13.5306 -13.4595 -13.4595 -13.4364 -13.4364 -13.3555 -13.3555 -13.2873 -13.2873 -13.1599 -13.1599 -4.1765 -4.1765 -1.0768 -1.0768 4.8919 4.8919 5.6238 5.6238 6.5043 6.5043 6.5329 6.5329 6.7118 6.7118 6.7297 6.7297 9.6476 9.6476 10.1030 10.1030 10.1629 10.1629 11.0781 11.0781 k = 0.0588 0.5000-0.0000 ( 3770 PWs) bands (ev): -32.4597 -32.4597 -32.4241 -32.4241 -32.3890 -32.3890 -13.8586 -13.8586 -13.7877 -13.7877 -13.7471 -13.7471 -13.5309 -13.5309 -13.4629 -13.4629 -13.4324 -13.4324 -13.3596 -13.3596 -13.2837 -13.2837 -13.1591 -13.1591 -4.1708 -4.1708 -1.0748 -1.0748 4.8945 4.8945 5.6062 5.6062 6.5008 6.5008 6.5295 6.5295 6.6960 6.6960 6.7248 6.7248 9.6645 9.6645 10.1135 10.1135 10.1855 10.1855 11.0814 11.0814 k = 0.0735 0.5000-0.0000 ( 3766 PWs) bands (ev): -32.4594 -32.4594 -32.4241 -32.4241 -32.3893 -32.3893 -13.8584 -13.8584 -13.7899 -13.7899 -13.7468 -13.7468 -13.5313 -13.5313 -13.4662 -13.4662 -13.4285 -13.4285 -13.3641 -13.3641 -13.2798 -13.2798 -13.1582 -13.1582 -4.1636 -4.1636 -1.0723 -1.0723 4.8976 4.8976 5.5841 5.5841 6.4962 6.4962 6.5253 6.5253 6.6758 6.6758 6.7189 6.7189 9.6856 9.6856 10.1267 10.1267 10.2144 10.2144 11.0854 11.0854 k = 0.0882 0.5000-0.0000 ( 3770 PWs) bands (ev): -32.4589 -32.4589 -32.4241 -32.4241 -32.3897 -32.3897 -13.8582 -13.8582 -13.7924 -13.7924 -13.7466 -13.7466 -13.5318 -13.5318 -13.4693 -13.4693 -13.4249 -13.4249 -13.3685 -13.3685 -13.2760 -13.2760 -13.1569 -13.1569 -4.1549 -4.1549 -1.0693 -1.0693 4.9011 4.9011 5.5578 5.5578 6.4904 6.4904 6.5205 6.5205 6.6518 6.6518 6.7120 6.7120 9.7107 9.7107 10.1427 10.1427 10.2495 10.2495 11.0902 11.0902 k = 0.1029 0.5000-0.0000 ( 3770 PWs) bands (ev): -32.4585 -32.4585 -32.4241 -32.4241 -32.3902 -32.3902 -13.8579 -13.8579 -13.7953 -13.7953 -13.7466 -13.7466 -13.5322 -13.5322 -13.4723 -13.4723 -13.4217 -13.4217 -13.3726 -13.3726 -13.2725 -13.2725 -13.1554 -13.1554 -4.1447 -4.1447 -1.0658 -1.0658 4.9050 4.9050 5.5277 5.5277 6.4834 6.4834 6.5153 6.5153 6.6245 6.6245 6.7042 6.7042 9.7394 9.7394 10.1612 10.1612 10.2904 10.2904 11.0955 11.0955 k = 0.1176 0.5000-0.0000 ( 3762 PWs) bands (ev): -32.4579 -32.4579 -32.4240 -32.4240 -32.3907 -32.3907 -13.8576 -13.8576 -13.7983 -13.7983 -13.7467 -13.7467 -13.5327 -13.5327 -13.4751 -13.4751 -13.4191 -13.4191 -13.3759 -13.3759 -13.2693 -13.2693 -13.1536 -13.1536 -4.1332 -4.1332 -1.0618 -1.0618 4.9089 4.9089 5.4944 5.4944 6.4752 6.4752 6.5097 6.5097 6.5945 6.5945 6.6954 6.6954 9.7715 9.7715 10.1822 10.1822 10.3370 10.3370 11.1013 11.1013 k = 0.1324 0.5000-0.0000 ( 3756 PWs) bands (ev): -32.4572 -32.4572 -32.4240 -32.4240 -32.3913 -32.3913 -13.8572 -13.8572 -13.8015 -13.8015 -13.7470 -13.7470 -13.5331 -13.5331 -13.4779 -13.4779 -13.4177 -13.4177 -13.3781 -13.3781 -13.2665 -13.2665 -13.1514 -13.1514 -4.1205 -4.1205 -1.0574 -1.0574 4.9127 4.9127 5.4581 5.4581 6.4660 6.4660 6.5039 6.5039 6.5624 6.5624 6.6858 6.6858 9.8066 9.8066 10.2055 10.2055 10.3887 10.3887 11.1073 11.1074 k = 0.1471 0.5000-0.0000 ( 3760 PWs) bands (ev): -32.4565 -32.4565 -32.4240 -32.4240 -32.3920 -32.3920 -13.8570 -13.8570 -13.8048 -13.8048 -13.7474 -13.7474 -13.5335 -13.5335 -13.4806 -13.4806 -13.4175 -13.4175 -13.3788 -13.3788 -13.2643 -13.2643 -13.1489 -13.1489 -4.1065 -4.1065 -1.0526 -1.0526 4.9161 4.9161 5.4195 5.4195 6.4557 6.4557 6.4978 6.4978 6.5288 6.5288 6.6754 6.6754 9.8444 9.8444 10.2310 10.2310 10.4451 10.4451 11.1122 11.1123 k = 0.1618 0.5000-0.0000 ( 3760 PWs) bands (ev): -32.4557 -32.4557 -32.4240 -32.4240 -32.3928 -32.3928 -13.8566 -13.8566 -13.8083 -13.8083 -13.7482 -13.7482 -13.5337 -13.5337 -13.4832 -13.4832 -13.4186 -13.4186 -13.3781 -13.3781 -13.2627 -13.2627 -13.1460 -13.1460 -4.0915 -4.0915 -1.0474 -1.0474 4.9188 4.9188 5.3789 5.3789 6.4445 6.4445 6.4908 6.4908 6.4952 6.4952 6.6645 6.6645 9.8850 9.8850 10.2583 10.2583 10.5056 10.5056 11.0930 11.0931 k = 0.1765 0.5000-0.0000 ( 3760 PWs) bands (ev): -32.4548 -32.4548 -32.4240 -32.4240 -32.3936 -32.3936 -13.8563 -13.8563 -13.8118 -13.8118 -13.7491 -13.7491 -13.5339 -13.5339 -13.4857 -13.4857 -13.4207 -13.4207 -13.3761 -13.3761 -13.2616 -13.2616 -13.1429 -13.1429 -4.0755 -4.0755 -1.0419 -1.0419 4.9207 4.9207 5.3368 5.3368 6.4325 6.4325 6.4598 6.4598 6.4853 6.4853 6.6530 6.6530 9.9281 9.9281 10.2873 10.2873 10.5695 10.5695 11.0704 11.0705 k = 0.1912 0.5000-0.0000 ( 3756 PWs) bands (ev): -32.4539 -32.4539 -32.4240 -32.4240 -32.3945 -32.3945 -13.8559 -13.8559 -13.8153 -13.8153 -13.7502 -13.7502 -13.5339 -13.5339 -13.4881 -13.4881 -13.4235 -13.4235 -13.3732 -13.3732 -13.2610 -13.2610 -13.1395 -13.1395 -4.0586 -4.0586 -1.0361 -1.0361 4.9213 4.9213 5.2937 5.2937 6.4189 6.4189 6.4270 6.4270 6.4787 6.4787 6.6412 6.6412 9.9735 9.9735 10.3179 10.3179 10.6362 10.6362 11.0489 11.0489 k = 0.2059 0.5000-0.0000 ( 3752 PWs) bands (ev): -32.4529 -32.4529 -32.4239 -32.4239 -32.3955 -32.3955 -13.8556 -13.8556 -13.8189 -13.8189 -13.7515 -13.7515 -13.5338 -13.5338 -13.4905 -13.4905 -13.4266 -13.4266 -13.3698 -13.3698 -13.2610 -13.2610 -13.1359 -13.1359 -4.0411 -4.0411 -1.0300 -1.0300 4.9205 4.9205 5.2499 5.2499 6.3918 6.3918 6.4084 6.4084 6.4720 6.4720 6.6290 6.6290 10.0214 10.0214 10.3497 10.3497 10.7048 10.7048 11.0284 11.0285 k = 0.2206 0.5000-0.0000 ( 3756 PWs) bands (ev): -32.4519 -32.4519 -32.4239 -32.4239 -32.3965 -32.3965 -13.8553 -13.8553 -13.8224 -13.8224 -13.7530 -13.7530 -13.5336 -13.5336 -13.4928 -13.4928 -13.4298 -13.4298 -13.3662 -13.3662 -13.2614 -13.2614 -13.1321 -13.1321 -4.0230 -4.0230 -1.0238 -1.0238 4.9179 4.9179 5.2059 5.2059 6.3611 6.3611 6.3950 6.3950 6.4653 6.4653 6.6167 6.6167 10.0714 10.0714 10.3826 10.3826 10.7747 10.7747 11.0092 11.0093 k = 0.2353 0.5000-0.0000 ( 3764 PWs) bands (ev): -32.4508 -32.4508 -32.4239 -32.4239 -32.3976 -32.3976 -13.8552 -13.8552 -13.8258 -13.8258 -13.7547 -13.7547 -13.5332 -13.5332 -13.4951 -13.4951 -13.4329 -13.4329 -13.3623 -13.3623 -13.2622 -13.2622 -13.1283 -13.1283 -4.0044 -4.0044 -1.0174 -1.0174 4.9134 4.9134 5.1621 5.1621 6.3323 6.3323 6.3817 6.3817 6.4585 6.4585 6.6043 6.6043 10.1237 10.1237 10.4162 10.4162 10.8450 10.8450 10.9912 10.9912 k = 0.2500 0.5000-0.0000 ( 3760 PWs) bands (ev): -32.4496 -32.4496 -32.4239 -32.4239 -32.3987 -32.3987 -13.8550 -13.8550 -13.8291 -13.8291 -13.7566 -13.7566 -13.5326 -13.5326 -13.4972 -13.4972 -13.4359 -13.4359 -13.3584 -13.3584 -13.2635 -13.2635 -13.1243 -13.1243 -3.9856 -3.9856 -1.0110 -1.0110 4.9068 4.9068 5.1188 5.1188 6.3064 6.3064 6.3683 6.3683 6.4517 6.4517 6.5920 6.5920 10.1782 10.1782 10.4505 10.4505 10.9149 10.9149 10.9745 10.9745 k = 0.2647 0.5000-0.0000 ( 3760 PWs) bands (ev): -32.4484 -32.4484 -32.4239 -32.4239 -32.3999 -32.3999 -13.8549 -13.8549 -13.8323 -13.8323 -13.7586 -13.7586 -13.5319 -13.5319 -13.4994 -13.4994 -13.4388 -13.4388 -13.3545 -13.3545 -13.2650 -13.2650 -13.1204 -13.1204 -3.9666 -3.9666 -1.0045 -1.0045 4.8981 4.8981 5.0763 5.0763 6.2836 6.2836 6.3551 6.3551 6.4449 6.4449 6.5798 6.5798 10.2347 10.2347 10.4850 10.4850 10.9583 10.9583 10.9843 10.9843 k = 0.2794 0.5000-0.0000 ( 3760 PWs) bands (ev): -32.4471 -32.4471 -32.4239 -32.4239 -32.4011 -32.4011 -13.8550 -13.8550 -13.8352 -13.8352 -13.7606 -13.7606 -13.5311 -13.5311 -13.5014 -13.5014 -13.4414 -13.4414 -13.3507 -13.3507 -13.2667 -13.2667 -13.1165 -13.1165 -3.9478 -3.9478 -0.9980 -0.9980 4.8873 4.8873 5.0349 5.0349 6.2642 6.2642 6.3422 6.3422 6.4383 6.4383 6.5678 6.5678 10.2932 10.2932 10.5195 10.5195 10.9441 10.9441 11.0509 11.0509 k = 0.2941 0.5000-0.0000 ( 3760 PWs) bands (ev): -32.4458 -32.4458 -32.4238 -32.4238 -32.4024 -32.4024 -13.8553 -13.8553 -13.8379 -13.8379 -13.7627 -13.7627 -13.5301 -13.5301 -13.5034 -13.5034 -13.4439 -13.4439 -13.3470 -13.3470 -13.2687 -13.2687 -13.1128 -13.1128 -3.9291 -3.9291 -0.9916 -0.9916 4.8744 4.8744 4.9950 4.9950 6.2482 6.2482 6.3295 6.3295 6.4318 6.4318 6.5562 6.5562 10.3535 10.3535 10.5538 10.5538 10.9309 10.9309 11.0434 11.0434 k = 0.3088 0.5000-0.0000 ( 3760 PWs) bands (ev): -32.4444 -32.4444 -32.4238 -32.4238 -32.4037 -32.4037 -13.8558 -13.8558 -13.8402 -13.8402 -13.7648 -13.7648 -13.5291 -13.5291 -13.5052 -13.5052 -13.4461 -13.4461 -13.3434 -13.3434 -13.2709 -13.2709 -13.1091 -13.1091 -3.9108 -3.9108 -0.9854 -0.9854 4.8598 4.8598 4.9567 4.9567 6.2356 6.2356 6.3173 6.3173 6.4256 6.4256 6.5450 6.5450 10.4157 10.4157 10.5875 10.5875 10.9187 10.9187 10.9931 10.9931 k = 0.3235 0.5000-0.0000 ( 3756 PWs) bands (ev): -32.4430 -32.4430 -32.4238 -32.4238 -32.4051 -32.4051 -13.8565 -13.8565 -13.8421 -13.8421 -13.7670 -13.7670 -13.5279 -13.5279 -13.5070 -13.5070 -13.4481 -13.4481 -13.3399 -13.3399 -13.2731 -13.2731 -13.1057 -13.1057 -3.8930 -3.8930 -0.9793 -0.9793 4.8437 4.8437 4.9203 4.9203 6.2262 6.2262 6.3056 6.3056 6.4195 6.4195 6.5343 6.5343 10.4794 10.4794 10.6205 10.6205 10.9073 10.9073 10.9378 10.9378 k = 0.3382 0.5000-0.0000 ( 3756 PWs) bands (ev): -32.4415 -32.4415 -32.4238 -32.4238 -32.4065 -32.4065 -13.8575 -13.8575 -13.8437 -13.8437 -13.7690 -13.7690 -13.5267 -13.5267 -13.5086 -13.5086 -13.4499 -13.4499 -13.3367 -13.3367 -13.2754 -13.2754 -13.1024 -13.1024 -3.8759 -3.8759 -0.9735 -0.9735 4.8266 4.8266 4.8861 4.8861 6.2199 6.2199 6.2945 6.2945 6.4138 6.4138 6.5242 6.5242 10.5446 10.5446 10.6523 10.6523 10.8794 10.8794 10.8986 10.8986 k = 0.3529 0.5000-0.0000 ( 3760 PWs) bands (ev): -32.4401 -32.4401 -32.4238 -32.4238 -32.4080 -32.4080 -13.8588 -13.8588 -13.8448 -13.8448 -13.7711 -13.7711 -13.5255 -13.5255 -13.5101 -13.5101 -13.4516 -13.4516 -13.3336 -13.3336 -13.2777 -13.2777 -13.0994 -13.0994 -3.8597 -3.8597 -0.9680 -0.9680 4.8089 4.8089 4.8542 4.8542 6.2161 6.2161 6.2841 6.2841 6.4084 6.4084 6.5147 6.5147 10.6109 10.6109 10.6827 10.6827 10.8238 10.8238 10.8891 10.8891 k = 0.3676 0.5000-0.0000 ( 3758 PWs) bands (ev): -32.4385 -32.4385 -32.4238 -32.4238 -32.4095 -32.4095 -13.8602 -13.8602 -13.8456 -13.8456 -13.7729 -13.7729 -13.5243 -13.5243 -13.5114 -13.5114 -13.4531 -13.4531 -13.3308 -13.3308 -13.2800 -13.2800 -13.0965 -13.0965 -3.8445 -3.8445 -0.9628 -0.9628 4.7910 4.7910 4.8249 4.8249 6.2145 6.2145 6.2744 6.2744 6.4034 6.4034 6.5060 6.5060 10.6779 10.6779 10.7116 10.7116 10.7703 10.7703 10.8811 10.8811 k = 0.3824 0.5000-0.0000 ( 3758 PWs) bands (ev): -32.4370 -32.4370 -32.4237 -32.4237 -32.4110 -32.4110 -13.8617 -13.8617 -13.8461 -13.8461 -13.7747 -13.7747 -13.5232 -13.5232 -13.5125 -13.5125 -13.4544 -13.4544 -13.3281 -13.3281 -13.2822 -13.2822 -13.0940 -13.0940 -3.8305 -3.8305 -0.9580 -0.9580 4.7735 4.7735 4.7982 4.7982 6.2147 6.2147 6.2656 6.2656 6.3989 6.3989 6.4980 6.4980 10.7185 10.7185 10.7369 10.7369 10.7490 10.7490 10.8741 10.8741 k = 0.3971 0.5000-0.0000 ( 3758 PWs) bands (ev): -32.4354 -32.4354 -32.4237 -32.4237 -32.4125 -32.4125 -13.8631 -13.8631 -13.8465 -13.8465 -13.7764 -13.7764 -13.5221 -13.5221 -13.5135 -13.5135 -13.4555 -13.4555 -13.3257 -13.3257 -13.2844 -13.2844 -13.0917 -13.0917 -3.8177 -3.8177 -0.9537 -0.9537 4.7568 4.7568 4.7743 4.7743 6.2161 6.2161 6.2577 6.2577 6.3947 6.3947 6.4909 6.4909 10.6737 10.6737 10.7621 10.7621 10.8154 10.8154 10.8682 10.8682 k = 0.4118 0.5000-0.0000 ( 3754 PWs) bands (ev): -32.4338 -32.4338 -32.4237 -32.4237 -32.4141 -32.4141 -13.8644 -13.8644 -13.8467 -13.8467 -13.7778 -13.7778 -13.5212 -13.5212 -13.5142 -13.5142 -13.4565 -13.4565 -13.3235 -13.3235 -13.2864 -13.2864 -13.0897 -13.0897 -3.8064 -3.8064 -0.9499 -0.9499 4.7413 4.7413 4.7534 4.7534 6.2184 6.2184 6.2508 6.2508 6.3911 6.3911 6.4846 6.4846 10.6330 10.6330 10.7840 10.7840 10.8614 10.8614 10.8851 10.8851 k = 0.4265 0.5000-0.0000 ( 3746 PWs) bands (ev): -32.4322 -32.4322 -32.4237 -32.4237 -32.4157 -32.4157 -13.8656 -13.8656 -13.8469 -13.8469 -13.7791 -13.7791 -13.5205 -13.5205 -13.5146 -13.5146 -13.4573 -13.4573 -13.3216 -13.3216 -13.2881 -13.2881 -13.0879 -13.0879 -3.7966 -3.7966 -0.9465 -0.9465 4.7275 4.7275 4.7355 4.7355 6.2211 6.2211 6.2450 6.2450 6.3880 6.3880 6.4792 6.4792 10.5977 10.5977 10.8031 10.8031 10.8578 10.8578 10.9520 10.9520 k = 0.4412 0.5000-0.0000 ( 3752 PWs) bands (ev): -32.4305 -32.4305 -32.4237 -32.4237 -32.4173 -32.4173 -13.8666 -13.8666 -13.8471 -13.8471 -13.7801 -13.7801 -13.5201 -13.5201 -13.5148 -13.5148 -13.4580 -13.4580 -13.3200 -13.3200 -13.2897 -13.2897 -13.0865 -13.0865 -3.7885 -3.7885 -0.9438 -0.9438 4.7156 4.7156 4.7209 4.7209 6.2237 6.2237 6.2402 6.2402 6.3854 6.3854 6.4748 6.4748 10.5682 10.5682 10.8190 10.8190 10.8544 10.8544 11.0181 11.0181 k = 0.4559 0.5000-0.0000 ( 3736 PWs) bands (ev): -32.4289 -32.4289 -32.4237 -32.4237 -32.4189 -32.4189 -13.8674 -13.8674 -13.8471 -13.8471 -13.7809 -13.7809 -13.5199 -13.5199 -13.5148 -13.5148 -13.4585 -13.4585 -13.3186 -13.3186 -13.2910 -13.2910 -13.0854 -13.0854 -3.7821 -3.7821 -0.9416 -0.9416 4.7058 4.7058 4.7096 4.7096 6.2258 6.2258 6.2368 6.2368 6.3834 6.3834 6.4713 6.4713 10.5449 10.5449 10.8315 10.8315 10.8518 10.8518 11.0817 11.0817 k = 0.4706 0.5000-0.0000 ( 3740 PWs) bands (ev): -32.4272 -32.4272 -32.4237 -32.4237 -32.4206 -32.4206 -13.8680 -13.8680 -13.8472 -13.8472 -13.7816 -13.7816 -13.5198 -13.5198 -13.5147 -13.5147 -13.4589 -13.4589 -13.3177 -13.3177 -13.2920 -13.2920 -13.0846 -13.0846 -3.7774 -3.7774 -0.9400 -0.9400 4.6985 4.6985 4.7017 4.7017 6.2271 6.2271 6.2347 6.2347 6.3819 6.3819 6.4688 6.4688 10.5281 10.5281 10.8405 10.8405 10.8500 10.8500 11.1405 11.1405 k = 0.4853 0.5000-0.0000 ( 3724 PWs) bands (ev): -32.4256 -32.4256 -32.4237 -32.4237 -32.4222 -32.4222 -13.8683 -13.8683 -13.8472 -13.8472 -13.7819 -13.7819 -13.5198 -13.5198 -13.5146 -13.5146 -13.4591 -13.4591 -13.3170 -13.3170 -13.2926 -13.2926 -13.0841 -13.0841 -3.7746 -3.7746 -0.9391 -0.9391 4.6940 4.6940 4.6971 4.6971 6.2274 6.2274 6.2340 6.2340 6.3811 6.3811 6.4673 6.4673 10.5180 10.5180 10.8455 10.8455 10.8494 10.8494 11.1890 11.1890 k = 0.5000 0.5000-0.0000 ( 3724 PWs) bands (ev): -32.4241 -32.4241 -32.4237 -32.4237 -32.4237 -32.4237 -13.8684 -13.8684 -13.8472 -13.8472 -13.7820 -13.7820 -13.5198 -13.5198 -13.5145 -13.5145 -13.4592 -13.4592 -13.3168 -13.3168 -13.2928 -13.2928 -13.0840 -13.0840 -3.7737 -3.7737 -0.9388 -0.9388 4.6924 4.6924 4.6955 4.6955 6.2274 6.2274 6.2339 6.2339 6.3808 6.3808 6.4668 6.4668 10.5146 10.5146 10.8466 10.8466 10.8498 10.8498 11.2078 11.2084 k = 0.5000 0.5000-0.0000 ( 3724 PWs) bands (ev): -32.4241 -32.4241 -32.4237 -32.4237 -32.4237 -32.4237 -13.8684 -13.8684 -13.8472 -13.8472 -13.7820 -13.7820 -13.5198 -13.5198 -13.5145 -13.5145 -13.4592 -13.4592 -13.3168 -13.3168 -13.2928 -13.2928 -13.0840 -13.0840 -3.7737 -3.7737 -0.9388 -0.9388 4.6924 4.6924 4.6955 4.6955 6.2274 6.2274 6.2339 6.2339 6.3808 6.3808 6.4668 6.4668 10.5146 10.5146 10.8466 10.8466 10.8498 10.8498 11.2078 11.2086 k = 0.4894 0.4894-0.0000 ( 3724 PWs) bands (ev): -32.4256 -32.4256 -32.4236 -32.4236 -32.4222 -32.4222 -13.8683 -13.8683 -13.8472 -13.8472 -13.7819 -13.7819 -13.5198 -13.5198 -13.5146 -13.5146 -13.4591 -13.4591 -13.3170 -13.3170 -13.2926 -13.2926 -13.0841 -13.0841 -3.7747 -3.7747 -0.9391 -0.9391 4.6940 4.6940 4.6971 4.6971 6.2273 6.2273 6.2341 6.2341 6.3811 6.3811 6.4674 6.4674 10.5181 10.5181 10.8451 10.8451 10.8497 10.8497 11.1882 11.1883 k = 0.4787 0.4787-0.0000 ( 3742 PWs) bands (ev): -32.4274 -32.4274 -32.4235 -32.4235 -32.4206 -32.4206 -13.8680 -13.8680 -13.8472 -13.8472 -13.7815 -13.7815 -13.5198 -13.5198 -13.5147 -13.5147 -13.4589 -13.4589 -13.3177 -13.3177 -13.2920 -13.2920 -13.0847 -13.0847 -3.7776 -3.7776 -0.9401 -0.9401 4.6988 4.6988 4.7020 4.7020 6.2257 6.2257 6.2361 6.2361 6.3820 6.3820 6.4689 6.4689 10.5286 10.5286 10.8386 10.8386 10.8516 10.8516 11.1384 11.1384 k = 0.4681 0.4681-0.0000 ( 3742 PWs) bands (ev): -32.4292 -32.4292 -32.4233 -32.4233 -32.4190 -32.4190 -13.8674 -13.8674 -13.8471 -13.8471 -13.7809 -13.7809 -13.5198 -13.5198 -13.5149 -13.5149 -13.4585 -13.4585 -13.3187 -13.3187 -13.2909 -13.2909 -13.0855 -13.0855 -3.7825 -3.7825 -0.9418 -0.9418 4.7065 4.7065 4.7105 4.7105 6.2217 6.2217 6.2410 6.2410 6.3834 6.3834 6.4717 6.4717 10.5451 10.5451 10.8271 10.8271 10.8556 10.8556 11.0784 11.0784 k = 0.4574 0.4574-0.0000 ( 3742 PWs) bands (ev): -32.4310 -32.4310 -32.4230 -32.4230 -32.4175 -32.4175 -13.8666 -13.8666 -13.8470 -13.8470 -13.7800 -13.7800 -13.5199 -13.5199 -13.5150 -13.5150 -13.4580 -13.4580 -13.3201 -13.3201 -13.2896 -13.2896 -13.0866 -13.0866 -3.7893 -3.7893 -0.9441 -0.9441 4.7170 4.7170 4.7225 4.7225 6.2157 6.2157 6.2483 6.2483 6.3853 6.3853 6.4756 6.4756 10.5666 10.5666 10.8111 10.8111 10.8611 10.8611 11.0143 11.0143 k = 0.4468 0.4468-0.0000 ( 3754 PWs) bands (ev): -32.4329 -32.4329 -32.4227 -32.4227 -32.4160 -32.4160 -13.8658 -13.8658 -13.8469 -13.8469 -13.7788 -13.7788 -13.5201 -13.5201 -13.5151 -13.5151 -13.4573 -13.4573 -13.3218 -13.3218 -13.2880 -13.2880 -13.0880 -13.0880 -3.7980 -3.7980 -0.9471 -0.9471 4.7302 4.7302 4.7380 4.7380 6.2083 6.2083 6.2580 6.2580 6.3876 6.3876 6.4809 6.4809 10.5904 10.5904 10.7910 10.7910 10.8679 10.8679 10.9497 10.9497 k = 0.4362 0.4362-0.0000 ( 3754 PWs) bands (ev): -32.4348 -32.4348 -32.4223 -32.4223 -32.4145 -32.4145 -13.8648 -13.8648 -13.8467 -13.8467 -13.7773 -13.7773 -13.5204 -13.5204 -13.5150 -13.5150 -13.4565 -13.4565 -13.3237 -13.3237 -13.2861 -13.2861 -13.0897 -13.0897 -3.8085 -3.8085 -0.9507 -0.9507 4.7462 4.7462 4.7570 4.7570 6.1998 6.1998 6.2698 6.2698 6.3901 6.3901 6.4875 6.4875 10.6119 10.6119 10.7670 10.7670 10.8735 10.8735 10.8916 10.8916 k = 0.4255 0.4255-0.0000 ( 3764 PWs) bands (ev): -32.4368 -32.4368 -32.4218 -32.4218 -32.4131 -32.4131 -13.8637 -13.8637 -13.8464 -13.8464 -13.7756 -13.7756 -13.5209 -13.5209 -13.5147 -13.5147 -13.4556 -13.4556 -13.3258 -13.3258 -13.2841 -13.2841 -13.0916 -13.0916 -3.8208 -3.8208 -0.9550 -0.9550 4.7650 4.7650 4.7794 4.7794 6.1905 6.1905 6.2838 6.2838 6.3928 6.3928 6.4957 6.4957 10.6212 10.6212 10.7394 10.7394 10.8377 10.8377 10.8879 10.8879 k = 0.4149 0.4149-0.0000 ( 3768 PWs) bands (ev): -32.4387 -32.4387 -32.4212 -32.4212 -32.4118 -32.4118 -13.8628 -13.8628 -13.8461 -13.8461 -13.7735 -13.7735 -13.5214 -13.5214 -13.5142 -13.5142 -13.4545 -13.4545 -13.3282 -13.3282 -13.2818 -13.2818 -13.0937 -13.0937 -3.8348 -3.8348 -0.9600 -0.9600 4.7864 4.7864 4.8051 4.8051 6.1808 6.1808 6.2999 6.2999 6.3955 6.3955 6.5055 6.5055 10.6040 10.6040 10.7086 10.7086 10.8130 10.8130 10.8982 10.8982 k = 0.4043 0.4043-0.0000 ( 3764 PWs) bands (ev): -32.4407 -32.4407 -32.4206 -32.4206 -32.4104 -32.4104 -13.8619 -13.8619 -13.8456 -13.8456 -13.7712 -13.7712 -13.5219 -13.5219 -13.5136 -13.5136 -13.4533 -13.4533 -13.3308 -13.3308 -13.2794 -13.2794 -13.0960 -13.0960 -3.8505 -3.8505 -0.9656 -0.9656 4.8106 4.8106 4.8339 4.8339 6.1712 6.1712 6.3181 6.3181 6.3983 6.3983 6.5171 6.5171 10.5577 10.5577 10.6748 10.6748 10.8116 10.8116 10.9098 10.9098 k = 0.3936 0.3936-0.0000 ( 3756 PWs) bands (ev): -32.4427 -32.4427 -32.4199 -32.4199 -32.4092 -32.4092 -13.8612 -13.8612 -13.8451 -13.8451 -13.7685 -13.7685 -13.5224 -13.5224 -13.5129 -13.5129 -13.4520 -13.4520 -13.3336 -13.3336 -13.2768 -13.2768 -13.0983 -13.0983 -3.8678 -3.8678 -0.9719 -0.9719 4.8373 4.8373 4.8659 4.8659 6.1620 6.1620 6.3384 6.3384 6.4010 6.4010 6.5303 6.5303 10.4945 10.4945 10.6385 10.6385 10.8176 10.8176 10.9221 10.9221 k = 0.3830 0.3830-0.0000 ( 3752 PWs) bands (ev): -32.4447 -32.4447 -32.4192 -32.4192 -32.4079 -32.4079 -13.8606 -13.8606 -13.8446 -13.8446 -13.7656 -13.7656 -13.5228 -13.5228 -13.5121 -13.5121 -13.4505 -13.4505 -13.3366 -13.3366 -13.2741 -13.2741 -13.1008 -13.1008 -3.8865 -3.8865 -0.9789 -0.9789 4.8665 4.8665 4.9009 4.9009 6.1535 6.1535 6.3606 6.3606 6.4038 6.4038 6.5453 6.5453 10.4237 10.4237 10.5999 10.5999 10.8188 10.8188 10.9348 10.9348 k = 0.3723 0.3723-0.0000 ( 3764 PWs) bands (ev): -32.4468 -32.4468 -32.4184 -32.4184 -32.4068 -32.4068 -13.8604 -13.8604 -13.8440 -13.8440 -13.7626 -13.7626 -13.5230 -13.5230 -13.5113 -13.5113 -13.4490 -13.4490 -13.3399 -13.3399 -13.2713 -13.2713 -13.1033 -13.1033 -3.9067 -3.9067 -0.9864 -0.9864 4.8982 4.8982 4.9388 4.9388 6.1462 6.1462 6.3843 6.3843 6.4070 6.4070 6.5620 6.5620 10.3494 10.3494 10.5595 10.5595 10.8095 10.8095 10.9473 10.9473 k = 0.3617 0.3617-0.0000 ( 3754 PWs) bands (ev): -32.4489 -32.4489 -32.4175 -32.4175 -32.4056 -32.4056 -13.8602 -13.8602 -13.8435 -13.8435 -13.7593 -13.7593 -13.5230 -13.5230 -13.5103 -13.5103 -13.4473 -13.4473 -13.3432 -13.3432 -13.2684 -13.2684 -13.1057 -13.1057 -3.9281 -3.9281 -0.9946 -0.9946 4.9322 4.9322 4.9795 4.9795 6.1405 6.1405 6.4039 6.4039 6.4163 6.4163 6.5805 6.5805 10.2736 10.2736 10.5176 10.5176 10.7883 10.7883 10.9595 10.9595 k = 0.3511 0.3511-0.0000 ( 3758 PWs) bands (ev): -32.4509 -32.4509 -32.4166 -32.4166 -32.4045 -32.4045 -13.8602 -13.8602 -13.8431 -13.8431 -13.7560 -13.7560 -13.5228 -13.5228 -13.5093 -13.5093 -13.4455 -13.4455 -13.3468 -13.3468 -13.2653 -13.2653 -13.1081 -13.1081 -3.9508 -3.9508 -1.0034 -1.0034 4.9685 4.9685 5.0229 5.0229 6.1365 6.1365 6.4090 6.4090 6.4419 6.4419 6.6007 6.6007 10.1970 10.1970 10.4744 10.4744 10.7563 10.7563 10.9707 10.9707 k = 0.3404 0.3404-0.0000 ( 3764 PWs) bands (ev): -32.4530 -32.4530 -32.4156 -32.4156 -32.4035 -32.4035 -13.8604 -13.8604 -13.8428 -13.8428 -13.7526 -13.7526 -13.5224 -13.5224 -13.5084 -13.5084 -13.4435 -13.4435 -13.3506 -13.3506 -13.2621 -13.2621 -13.1105 -13.1105 -3.9746 -3.9746 -1.0128 -1.0128 5.0070 5.0070 5.0689 5.0689 6.1346 6.1346 6.4117 6.4117 6.4719 6.4719 6.6225 6.6225 10.1203 10.1203 10.4302 10.4302 10.7152 10.7152 10.9807 10.9827 k = 0.3298 0.3298-0.0000 ( 3764 PWs) bands (ev): -32.4551 -32.4551 -32.4146 -32.4146 -32.4025 -32.4025 -13.8607 -13.8607 -13.8426 -13.8426 -13.7492 -13.7492 -13.5216 -13.5216 -13.5074 -13.5074 -13.4414 -13.4414 -13.3544 -13.3544 -13.2588 -13.2588 -13.1127 -13.1127 -3.9993 -3.9993 -1.0228 -1.0228 5.0476 5.0476 5.1173 5.1173 6.1352 6.1352 6.4141 6.4141 6.5040 6.5040 6.6461 6.6461 10.0438 10.0438 10.3854 10.3854 10.6672 10.6672 10.9580 10.9581 k = 0.3191 0.3191-0.0000 ( 3754 PWs) bands (ev): -32.4571 -32.4571 -32.4136 -32.4136 -32.4015 -32.4015 -13.8611 -13.8611 -13.8425 -13.8425 -13.7460 -13.7460 -13.5204 -13.5204 -13.5064 -13.5064 -13.4390 -13.4390 -13.3583 -13.3583 -13.2554 -13.2554 -13.1148 -13.1148 -4.0249 -4.0249 -1.0333 -1.0333 5.0902 5.0902 5.1680 5.1680 6.1384 6.1384 6.4163 6.4163 6.5380 6.5380 6.6712 6.6712 9.9678 9.9678 10.3401 10.3401 10.6139 10.6139 10.8953 10.8953 k = 0.3085 0.3085-0.0000 ( 3754 PWs) bands (ev): -32.4592 -32.4592 -32.4125 -32.4125 -32.4006 -32.4006 -13.8616 -13.8616 -13.8426 -13.8426 -13.7430 -13.7430 -13.5191 -13.5191 -13.5055 -13.5055 -13.4366 -13.4366 -13.3623 -13.3623 -13.2518 -13.2518 -13.1168 -13.1168 -4.0512 -4.0512 -1.0443 -1.0443 5.1346 5.1346 5.2208 5.2208 6.1446 6.1446 6.4185 6.4185 6.5738 6.5738 6.6980 6.6980 9.8925 9.8925 10.2945 10.2945 10.5567 10.5567 10.8258 10.8258 k = 0.2979 0.2979-0.0000 ( 3754 PWs) bands (ev): -32.4613 -32.4613 -32.4114 -32.4114 -32.3997 -32.3997 -13.8622 -13.8622 -13.8429 -13.8429 -13.7402 -13.7402 -13.5174 -13.5174 -13.5045 -13.5045 -13.4339 -13.4339 -13.3664 -13.3664 -13.2481 -13.2481 -13.1185 -13.1185 -4.0782 -4.0782 -1.0558 -1.0558 5.1808 5.1808 5.2756 5.2756 6.1538 6.1538 6.4207 6.4207 6.6113 6.6113 6.7263 6.7263 9.8180 9.8180 10.2489 10.2489 10.4968 10.4968 10.7503 10.7503 k = 0.2872 0.2872-0.0000 ( 3750 PWs) bands (ev): -32.4633 -32.4633 -32.4103 -32.4103 -32.3989 -32.3989 -13.8629 -13.8629 -13.8434 -13.8434 -13.7378 -13.7378 -13.5154 -13.5154 -13.5036 -13.5036 -13.4311 -13.4311 -13.3703 -13.3703 -13.2442 -13.2442 -13.1200 -13.1200 -4.1056 -4.1056 -1.0677 -1.0677 5.2286 5.2286 5.3322 5.3322 6.1663 6.1663 6.4228 6.4228 6.6503 6.6503 6.7562 6.7562 9.7445 9.7445 10.2035 10.2035 10.4349 10.4349 10.6694 10.6694 k = 0.2766 0.2766-0.0000 ( 3758 PWs) bands (ev): -32.4653 -32.4653 -32.4092 -32.4092 -32.3981 -32.3981 -13.8638 -13.8638 -13.8441 -13.8441 -13.7357 -13.7357 -13.5133 -13.5133 -13.5028 -13.5028 -13.4281 -13.4281 -13.3743 -13.3743 -13.2402 -13.2402 -13.1214 -13.1214 -4.1335 -4.1335 -1.0800 -1.0800 5.2780 5.2780 5.3904 5.3904 6.1823 6.1823 6.4250 6.4250 6.6909 6.6909 6.7876 6.7876 9.6720 9.6720 10.1584 10.1584 10.3719 10.3719 10.5838 10.5838 k = 0.2660 0.2660-0.0000 ( 3762 PWs) bands (ev): -32.4673 -32.4673 -32.4080 -32.4080 -32.3973 -32.3973 -13.8647 -13.8647 -13.8450 -13.8450 -13.7340 -13.7340 -13.5110 -13.5110 -13.5020 -13.5020 -13.4249 -13.4249 -13.3781 -13.3781 -13.2360 -13.2360 -13.1225 -13.1225 -4.1616 -4.1616 -1.0927 -1.0927 5.3289 5.3289 5.4500 5.4500 6.2019 6.2019 6.4271 6.4271 6.7328 6.7328 6.8204 6.8204 9.6008 9.6008 10.1139 10.1139 10.3081 10.3081 10.4942 10.4942 k = 0.2553 0.2553-0.0000 ( 3762 PWs) bands (ev): -32.4693 -32.4693 -32.4068 -32.4068 -32.3966 -32.3966 -13.8656 -13.8656 -13.8460 -13.8460 -13.7327 -13.7327 -13.5087 -13.5087 -13.5012 -13.5012 -13.4217 -13.4217 -13.3816 -13.3816 -13.2316 -13.2316 -13.1234 -13.1234 -4.1898 -4.1898 -1.1056 -1.1056 5.3810 5.3810 5.5107 5.5107 6.2254 6.2254 6.4292 6.4292 6.7759 6.7759 6.8547 6.8547 9.5309 9.5309 10.0701 10.0701 10.2443 10.2443 10.4015 10.4015 k = 0.2447 0.2447-0.0000 ( 3770 PWs) bands (ev): -32.4712 -32.4712 -32.4057 -32.4057 -32.3959 -32.3959 -13.8666 -13.8666 -13.8473 -13.8473 -13.7318 -13.7318 -13.5064 -13.5064 -13.5004 -13.5004 -13.4183 -13.4183 -13.3849 -13.3849 -13.2269 -13.2269 -13.1242 -13.1242 -4.2180 -4.2180 -1.1188 -1.1188 5.4343 5.4343 5.5721 5.5721 6.2528 6.2528 6.4313 6.4313 6.8202 6.8202 6.8903 6.8903 9.4624 9.4624 10.0270 10.0270 10.1806 10.1806 10.3060 10.3060 k = 0.2340 0.2340-0.0000 ( 3770 PWs) bands (ev): -32.4731 -32.4731 -32.4045 -32.4045 -32.3953 -32.3953 -13.8676 -13.8676 -13.8487 -13.8487 -13.7313 -13.7313 -13.5041 -13.5041 -13.4997 -13.4997 -13.4150 -13.4150 -13.3878 -13.3878 -13.2220 -13.2220 -13.1247 -13.1247 -4.2461 -4.2461 -1.1321 -1.1321 5.4887 5.4887 5.6341 5.6341 6.2844 6.2844 6.4334 6.4334 6.8654 6.8654 6.9273 6.9273 9.3955 9.3955 9.9850 9.9850 10.1175 10.1175 10.2085 10.2085 k = 0.2234 0.2234-0.0000 ( 3766 PWs) bands (ev): -32.4749 -32.4749 -32.4033 -32.4033 -32.3946 -32.3946 -13.8687 -13.8687 -13.8503 -13.8503 -13.7311 -13.7311 -13.5020 -13.5020 -13.4990 -13.4990 -13.4118 -13.4118 -13.3901 -13.3901 -13.2169 -13.2169 -13.1250 -13.1250 -4.2740 -4.2740 -1.1456 -1.1456 5.5440 5.5440 5.6960 5.6960 6.3203 6.3203 6.4355 6.4355 6.9114 6.9114 6.9655 6.9655 9.3303 9.3303 9.9440 9.9440 10.0553 10.0553 10.1094 10.1094 k = 0.2128 0.2128-0.0000 ( 3768 PWs) bands (ev): -32.4767 -32.4767 -32.4022 -32.4022 -32.3941 -32.3941 -13.8698 -13.8698 -13.8520 -13.8520 -13.7313 -13.7313 -13.5002 -13.5002 -13.4982 -13.4982 -13.4090 -13.4090 -13.3918 -13.3918 -13.2115 -13.2115 -13.1252 -13.1252 -4.3015 -4.3015 -1.1590 -1.1590 5.6001 5.6001 5.7577 5.7577 6.3608 6.3608 6.4376 6.4376 6.9580 6.9580 7.0050 7.0050 9.2668 9.2668 9.9043 9.9043 9.9941 9.9941 10.0094 10.0094 k = 0.2021 0.2021-0.0000 ( 3770 PWs) bands (ev): -32.4785 -32.4785 -32.4011 -32.4011 -32.3935 -32.3935 -13.8710 -13.8710 -13.8538 -13.8538 -13.7317 -13.7317 -13.4989 -13.4989 -13.4972 -13.4972 -13.4070 -13.4070 -13.3923 -13.3923 -13.2059 -13.2059 -13.1253 -13.1253 -4.3285 -4.3285 -1.1725 -1.1725 5.6569 5.6569 5.8185 5.8185 6.4061 6.4061 6.4398 6.4398 7.0051 7.0051 7.0456 7.0456 9.2052 9.2052 9.8658 9.8658 9.9083 9.9083 9.9348 9.9348 k = 0.1915 0.1915-0.0000 ( 3762 PWs) bands (ev): -32.4802 -32.4802 -32.3999 -32.3999 -32.3930 -32.3930 -13.8721 -13.8721 -13.8558 -13.8558 -13.7324 -13.7324 -13.4981 -13.4981 -13.4960 -13.4960 -13.4060 -13.4060 -13.3914 -13.3914 -13.2000 -13.2000 -13.1252 -13.1252 -4.3549 -4.3549 -1.1858 -1.1858 5.7141 5.7141 5.8780 5.8780 6.4413 6.4413 6.4569 6.4569 7.0524 7.0524 7.0873 7.0873 9.1455 9.1455 9.8075 9.8075 9.8288 9.8288 9.8766 9.8766 k = 0.1809 0.1809-0.0000 ( 3768 PWs) bands (ev): -32.4818 -32.4818 -32.3989 -32.3989 -32.3925 -32.3925 -13.8733 -13.8733 -13.8579 -13.8579 -13.7332 -13.7332 -13.4975 -13.4975 -13.4949 -13.4949 -13.4059 -13.4059 -13.3895 -13.3895 -13.1940 -13.1940 -13.1250 -13.1250 -4.3806 -4.3806 -1.1989 -1.1989 5.7715 5.7715 5.9358 5.9358 6.4435 6.4435 6.5120 6.5120 7.0998 7.0998 7.1299 7.1299 9.0878 9.0878 9.7069 9.7069 9.7933 9.7933 9.8201 9.8201 k = 0.1702 0.1702-0.0000 ( 3763 PWs) bands (ev): -32.4833 -32.4833 -32.3978 -32.3978 -32.3921 -32.3921 -13.8745 -13.8745 -13.8600 -13.8600 -13.7342 -13.7342 -13.4970 -13.4970 -13.4939 -13.4939 -13.4061 -13.4061 -13.3869 -13.3869 -13.1878 -13.1878 -13.1247 -13.1247 -4.4055 -4.4055 -1.2117 -1.2117 5.8291 5.8291 5.9914 5.9914 6.4455 6.4455 6.5724 6.5724 7.1470 7.1470 7.1733 7.1733 9.0324 9.0324 9.6070 9.6070 9.7594 9.7594 9.7655 9.7655 k = 0.1596 0.1596-0.0000 ( 3777 PWs) bands (ev): -32.4848 -32.4848 -32.3968 -32.3968 -32.3917 -32.3917 -13.8757 -13.8757 -13.8623 -13.8623 -13.7353 -13.7353 -13.4967 -13.4967 -13.4933 -13.4933 -13.4065 -13.4065 -13.3841 -13.3841 -13.1816 -13.1816 -13.1244 -13.1244 -4.4295 -4.4295 -1.2243 -1.2243 5.8865 5.8865 6.0446 6.0446 6.4474 6.4474 6.6379 6.6379 7.1939 7.1939 7.2173 7.2173 8.9791 8.9791 9.5081 9.5081 9.7127 9.7127 9.7271 9.7271 k = 0.1489 0.1489-0.0000 ( 3781 PWs) bands (ev): -32.4862 -32.4862 -32.3959 -32.3959 -32.3913 -32.3913 -13.8769 -13.8769 -13.8646 -13.8646 -13.7365 -13.7365 -13.4963 -13.4963 -13.4928 -13.4928 -13.4069 -13.4069 -13.3813 -13.3813 -13.1753 -13.1753 -13.1240 -13.1240 -4.4524 -4.4524 -1.2364 -1.2364 5.9436 5.9436 6.0951 6.0951 6.4492 6.4492 6.7083 6.7083 7.2402 7.2402 7.2617 7.2617 8.9283 8.9283 9.4106 9.4106 9.6619 9.6619 9.6966 9.6966 k = 0.1383 0.1383-0.0000 ( 3785 PWs) bands (ev): -32.4876 -32.4876 -32.3949 -32.3949 -32.3909 -32.3909 -13.8780 -13.8780 -13.8669 -13.8669 -13.7376 -13.7376 -13.4960 -13.4960 -13.4925 -13.4925 -13.4070 -13.4070 -13.3786 -13.3786 -13.1690 -13.1690 -13.1235 -13.1235 -4.4742 -4.4742 -1.2480 -1.2480 5.9999 5.9999 6.1428 6.1428 6.4509 6.4509 6.7830 6.7830 7.2859 7.2859 7.3063 7.3063 8.8799 8.8799 9.3150 9.3150 9.6131 9.6131 9.6679 9.6679 k = 0.1277 0.1277-0.0000 ( 3789 PWs) bands (ev): -32.4888 -32.4888 -32.3941 -32.3941 -32.3906 -32.3906 -13.8791 -13.8791 -13.8693 -13.8693 -13.7388 -13.7388 -13.4958 -13.4958 -13.4924 -13.4924 -13.4071 -13.4071 -13.3760 -13.3760 -13.1628 -13.1628 -13.1230 -13.1230 -4.4948 -4.4948 -1.2591 -1.2591 6.0552 6.0552 6.1875 6.1875 6.4526 6.4526 6.8618 6.8618 7.3308 7.3308 7.3506 7.3506 8.8340 8.8340 9.2217 9.2217 9.5662 9.5662 9.6411 9.6411 k = 0.1170 0.1170-0.0000 ( 3795 PWs) bands (ev): -32.4900 -32.4900 -32.3933 -32.3933 -32.3903 -32.3903 -13.8802 -13.8802 -13.8716 -13.8716 -13.7400 -13.7400 -13.4955 -13.4955 -13.4925 -13.4925 -13.4070 -13.4070 -13.3736 -13.3736 -13.1567 -13.1567 -13.1225 -13.1225 -4.5141 -4.5141 -1.2696 -1.2696 6.1092 6.1092 6.2293 6.2293 6.4541 6.4541 6.9439 6.9439 7.3748 7.3748 7.3944 7.3944 8.7909 8.7909 9.1311 9.1311 9.5210 9.5210 9.6162 9.6162 k = 0.1064 0.1064-0.0000 ( 3791 PWs) bands (ev): -32.4911 -32.4911 -32.3925 -32.3925 -32.3900 -32.3900 -13.8812 -13.8812 -13.8738 -13.8738 -13.7411 -13.7411 -13.4953 -13.4953 -13.4926 -13.4926 -13.4068 -13.4068 -13.3714 -13.3714 -13.1509 -13.1509 -13.1220 -13.1220 -4.5320 -4.5320 -1.2793 -1.2793 6.1613 6.1613 6.2679 6.2679 6.4556 6.4556 7.0288 7.0288 7.4175 7.4175 7.4373 7.4373 8.7504 8.7504 9.0437 9.0437 9.4772 9.4772 9.5934 9.5934 k = 0.0957 0.0957-0.0000 ( 3795 PWs) bands (ev): -32.4920 -32.4920 -32.3918 -32.3918 -32.3898 -32.3898 -13.8821 -13.8821 -13.8759 -13.8759 -13.7421 -13.7421 -13.4951 -13.4951 -13.4928 -13.4928 -13.4065 -13.4065 -13.3695 -13.3695 -13.1454 -13.1454 -13.1215 -13.1215 -4.5484 -4.5484 -1.2884 -1.2884 6.2112 6.2112 6.3034 6.3034 6.4569 6.4569 7.1154 7.1154 7.4587 7.4587 7.4789 7.4789 8.7128 8.7128 8.9600 8.9600 9.4342 9.4342 9.5726 9.5726 k = 0.0851 0.0851-0.0000 ( 3795 PWs) bands (ev): -32.4929 -32.4929 -32.3912 -32.3912 -32.3895 -32.3895 -13.8829 -13.8829 -13.8779 -13.8779 -13.7430 -13.7430 -13.4949 -13.4949 -13.4930 -13.4930 -13.4061 -13.4061 -13.3678 -13.3678 -13.1403 -13.1403 -13.1211 -13.1211 -4.5633 -4.5633 -1.2966 -1.2966 6.2582 6.2582 6.3357 6.3357 6.4582 6.4582 7.2029 7.2029 7.4982 7.4982 7.5187 7.5187 8.6780 8.6780 8.8808 8.8808 9.3914 9.3914 9.5538 9.5538 k = 0.0745 0.0745-0.0000 ( 3791 PWs) bands (ev): -32.4937 -32.4937 -32.3906 -32.3906 -32.3893 -32.3893 -13.8837 -13.8837 -13.8797 -13.8797 -13.7439 -13.7439 -13.4948 -13.4948 -13.4933 -13.4933 -13.4057 -13.4057 -13.3663 -13.3663 -13.1356 -13.1356 -13.1206 -13.1206 -4.5766 -4.5766 -1.3040 -1.3040 6.3019 6.3019 6.3646 6.3646 6.4593 6.4593 7.2899 7.2899 7.5355 7.5355 7.5563 7.5563 8.6462 8.6462 8.8066 8.8066 9.3476 9.3476 9.5372 9.5372 k = 0.0638 0.0638-0.0000 ( 3787 PWs) bands (ev): -32.4944 -32.4944 -32.3901 -32.3901 -32.3892 -32.3892 -13.8844 -13.8844 -13.8814 -13.8814 -13.7446 -13.7446 -13.4946 -13.4946 -13.4935 -13.4935 -13.4053 -13.4053 -13.3650 -13.3650 -13.1314 -13.1314 -13.1202 -13.1202 -4.5882 -4.5882 -1.3105 -1.3105 6.3416 6.3416 6.3901 6.3901 6.4603 6.4603 7.3750 7.3750 7.5702 7.5702 7.5911 7.5911 8.6174 8.6174 8.7384 8.7384 9.3019 9.3019 9.5228 9.5228 k = 0.0532 0.0532-0.0000 ( 3787 PWs) bands (ev): -32.4950 -32.4950 -32.3897 -32.3897 -32.3890 -32.3890 -13.8850 -13.8850 -13.8829 -13.8829 -13.7453 -13.7453 -13.4945 -13.4945 -13.4937 -13.4937 -13.4050 -13.4050 -13.3639 -13.3639 -13.1277 -13.1277 -13.1199 -13.1199 -4.5981 -4.5981 -1.3161 -1.3161 6.3766 6.3766 6.4119 6.4119 6.4612 6.4612 7.4559 7.4559 7.6018 7.6018 7.6226 7.6226 8.5915 8.5915 8.6773 8.6773 9.2539 9.2539 9.5105 9.5105 k = 0.0426 0.0426-0.0000 ( 3779 PWs) bands (ev): -32.4955 -32.4955 -32.3893 -32.3893 -32.3889 -32.3889 -13.8854 -13.8854 -13.8841 -13.8841 -13.7458 -13.7458 -13.4944 -13.4944 -13.4939 -13.4939 -13.4046 -13.4046 -13.3630 -13.3630 -13.1247 -13.1247 -13.1196 -13.1196 -4.6063 -4.6063 -1.3207 -1.3207 6.4062 6.4062 6.4301 6.4301 6.4620 6.4620 7.5300 7.5300 7.6299 7.6299 7.6499 7.6499 8.5688 8.5688 8.6243 8.6243 9.2049 9.2049 9.5004 9.5006 k = 0.0319 0.0319-0.0000 ( 3767 PWs) bands (ev): -32.4958 -32.4958 -32.3890 -32.3890 -32.3888 -32.3888 -13.8858 -13.8858 -13.8850 -13.8850 -13.7462 -13.7462 -13.4943 -13.4943 -13.4940 -13.4940 -13.4043 -13.4043 -13.3623 -13.3623 -13.1222 -13.1222 -13.1194 -13.1194 -4.6127 -4.6127 -1.3243 -1.3243 6.4296 6.4296 6.4446 6.4446 6.4628 6.4628 7.5932 7.5932 7.6541 7.6541 7.6724 7.6724 8.5496 8.5496 8.5808 8.5808 9.1586 9.1586 9.4928 9.4995 k = 0.0213 0.0213-0.0000 ( 3767 PWs) bands (ev): -32.4961 -32.4961 -32.3888 -32.3888 -32.3887 -32.3887 -13.8860 -13.8860 -13.8857 -13.8857 -13.7465 -13.7465 -13.4943 -13.4943 -13.4942 -13.4942 -13.4042 -13.4042 -13.3618 -13.3618 -13.1205 -13.1205 -13.1192 -13.1192 -4.6173 -4.6173 -1.3269 -1.3269 6.4458 6.4458 6.4555 6.4555 6.4638 6.4638 7.6396 7.6396 7.6755 7.6755 7.6894 7.6894 8.5346 8.5346 8.5484 8.5484 9.1201 9.1201 9.4938 9.5029 k = 0.0106 0.0106-0.0000 ( 3775 PWs) bands (ev): -32.4963 -32.4963 -32.3887 -32.3887 -32.3887 -32.3887 -13.8862 -13.8862 -13.8862 -13.8862 -13.7467 -13.7467 -13.4943 -13.4943 -13.4943 -13.4943 -13.4041 -13.4041 -13.3615 -13.3615 -13.1194 -13.1194 -13.1191 -13.1191 -4.6201 -4.6201 -1.3285 -1.3285 6.4541 6.4541 6.4631 6.4631 6.4651 6.4651 7.6635 7.6635 7.6950 7.6950 7.6999 7.6999 8.5248 8.5248 8.5282 8.5282 9.0945 9.0945 9.4849 9.4864 k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -32.4963 -32.4963 -32.3887 -32.3887 -32.3887 -32.3887 -13.8863 -13.8863 -13.8863 -13.8863 -13.7468 -13.7468 -13.4943 -13.4943 -13.4943 -13.4943 -13.4041 -13.4041 -13.3615 -13.3615 -13.1191 -13.1191 -13.1191 -13.1191 -4.6210 -4.6210 -1.3290 -1.3290 6.4563 6.4563 6.4659 6.4659 6.4659 6.4659 7.6699 7.6699 7.7035 7.7035 7.7035 7.7035 8.5214 8.5214 8.5214 8.5214 9.0855 9.0855 9.4820 9.4827 k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -32.4963 -32.4963 -32.3887 -32.3887 -32.3887 -32.3887 -13.8863 -13.8863 -13.8863 -13.8863 -13.7468 -13.7468 -13.4943 -13.4943 -13.4943 -13.4943 -13.4041 -13.4041 -13.3615 -13.3615 -13.1191 -13.1191 -13.1191 -13.1191 -4.6210 -4.6210 -1.3290 -1.3290 6.4563 6.4563 6.4659 6.4659 6.4659 6.4659 7.6699 7.6699 7.7035 7.7035 7.7035 7.7035 8.5214 8.5214 8.5214 8.5214 9.0855 9.0855 9.4819 9.4828 k = 0.0086 0.0086 0.0086 ( 3779 PWs) bands (ev): -32.4963 -32.4963 -32.3887 -32.3887 -32.3887 -32.3887 -13.8863 -13.8863 -13.8862 -13.8862 -13.7467 -13.7467 -13.4943 -13.4943 -13.4943 -13.4943 -13.4041 -13.4041 -13.3615 -13.3615 -13.1194 -13.1194 -13.1191 -13.1191 -4.6201 -4.6201 -1.3285 -1.3285 6.4543 6.4543 6.4635 6.4635 6.4646 6.4646 7.6636 7.6636 7.6952 7.6952 7.6999 7.6999 8.5264 8.5264 8.5265 8.5265 9.0943 9.0943 9.4848 9.4864 k = 0.0172 0.0172 0.0172 ( 3773 PWs) bands (ev): -32.4961 -32.4961 -32.3888 -32.3888 -32.3888 -32.3888 -13.8861 -13.8861 -13.8857 -13.8857 -13.7465 -13.7465 -13.4943 -13.4943 -13.4942 -13.4942 -13.4042 -13.4042 -13.3618 -13.3618 -13.1205 -13.1205 -13.1191 -13.1191 -4.6174 -4.6174 -1.3270 -1.3270 6.4480 6.4480 6.4564 6.4564 6.4611 6.4611 7.6404 7.6404 7.6758 7.6758 7.6892 7.6892 8.5412 8.5412 8.5416 8.5416 9.1191 9.1191 9.4962 9.5014 k = 0.0259 0.0259 0.0259 ( 3773 PWs) bands (ev): -32.4959 -32.4959 -32.3889 -32.3889 -32.3889 -32.3889 -13.8858 -13.8858 -13.8850 -13.8850 -13.7462 -13.7462 -13.4943 -13.4943 -13.4941 -13.4941 -13.4044 -13.4044 -13.3623 -13.3623 -13.1223 -13.1223 -13.1192 -13.1192 -4.6128 -4.6128 -1.3244 -1.3244 6.4370 6.4370 6.4447 6.4447 6.4560 6.4560 7.5952 7.5952 7.6542 7.6542 7.6720 7.6720 8.5650 8.5650 8.5659 8.5659 9.1555 9.1555 9.5038 9.5067 k = 0.0345 0.0345 0.0345 ( 3785 PWs) bands (ev): -32.4955 -32.4955 -32.3891 -32.3891 -32.3891 -32.3891 -13.8855 -13.8855 -13.8841 -13.8841 -13.7458 -13.7458 -13.4944 -13.4944 -13.4940 -13.4940 -13.4046 -13.4046 -13.3630 -13.3630 -13.1248 -13.1248 -13.1194 -13.1194 -4.6065 -4.6065 -1.3208 -1.3208 6.4214 6.4214 6.4286 6.4286 6.4491 6.4491 7.5329 7.5329 7.6300 7.6300 7.6491 7.6491 8.5970 8.5970 8.5984 8.5984 9.1982 9.1982 9.5207 9.5211 k = 0.0431 0.0431 0.0431 ( 3785 PWs) bands (ev): -32.4950 -32.4950 -32.3893 -32.3893 -32.3893 -32.3893 -13.8851 -13.8851 -13.8828 -13.8828 -13.7453 -13.7453 -13.4945 -13.4945 -13.4938 -13.4938 -13.4049 -13.4049 -13.3639 -13.3639 -13.1279 -13.1279 -13.1195 -13.1195 -4.5984 -4.5984 -1.3163 -1.3163 6.4016 6.4016 6.4086 6.4086 6.4404 6.4404 7.4595 7.4595 7.6022 7.6022 7.6215 7.6215 8.6360 8.6360 8.6379 8.6379 9.2425 9.2425 9.5420 9.5431 k = 0.0517 0.0517 0.0517 ( 3791 PWs) bands (ev): -32.4944 -32.4944 -32.3896 -32.3896 -32.3896 -32.3896 -13.8846 -13.8846 -13.8814 -13.8814 -13.7446 -13.7446 -13.4946 -13.4946 -13.4936 -13.4936 -13.4053 -13.4053 -13.3650 -13.3650 -13.1316 -13.1316 -13.1197 -13.1197 -4.5886 -4.5886 -1.3108 -1.3108 6.3781 6.3781 6.3849 6.3849 6.4295 6.4295 7.3790 7.3790 7.5707 7.5707 7.5899 7.5899 8.6808 8.6808 8.6833 8.6833 9.2859 9.2859 9.5686 9.5693 k = 0.0603 0.0603 0.0603 ( 3797 PWs) bands (ev): -32.4938 -32.4938 -32.3900 -32.3900 -32.3900 -32.3900 -13.8841 -13.8841 -13.8797 -13.8797 -13.7439 -13.7439 -13.4948 -13.4948 -13.4933 -13.4933 -13.4056 -13.4056 -13.3664 -13.3664 -13.1359 -13.1359 -13.1200 -13.1200 -4.5770 -4.5770 -1.3044 -1.3044 6.3513 6.3513 6.3579 6.3579 6.4161 6.4161 7.2946 7.2946 7.5361 7.5361 7.5550 7.5550 8.7306 8.7306 8.7335 8.7335 9.3279 9.3279 9.5994 9.6002 k = 0.0690 0.0690 0.0690 ( 3797 PWs) bands (ev): -32.4930 -32.4930 -32.3903 -32.3903 -32.3903 -32.3903 -13.8835 -13.8835 -13.8778 -13.8778 -13.7430 -13.7430 -13.4952 -13.4952 -13.4928 -13.4928 -13.4059 -13.4059 -13.3680 -13.3680 -13.1406 -13.1406 -13.1202 -13.1202 -4.5638 -4.5638 -1.2970 -1.2970 6.3217 6.3217 6.3281 6.3281 6.3998 6.3998 7.2088 7.2088 7.4988 7.4988 7.5174 7.5174 8.7843 8.7843 8.7877 8.7877 9.3691 9.3691 9.6352 9.6359 k = 0.0776 0.0776 0.0776 ( 3797 PWs) bands (ev): -32.4921 -32.4921 -32.3908 -32.3908 -32.3908 -32.3908 -13.8829 -13.8829 -13.8757 -13.8757 -13.7421 -13.7421 -13.4956 -13.4956 -13.4923 -13.4923 -13.4062 -13.4062 -13.3700 -13.3700 -13.1456 -13.1456 -13.1204 -13.1204 -4.5489 -4.5489 -1.2889 -1.2889 6.2897 6.2897 6.2959 6.2959 6.3801 6.3801 7.1235 7.1235 7.4593 7.4593 7.4776 7.4776 8.8412 8.8412 8.8449 8.8449 9.4104 9.4104 9.6755 9.6766 k = 0.0862 0.0862 0.0862 ( 3791 PWs) bands (ev): -32.4911 -32.4911 -32.3912 -32.3912 -32.3912 -32.3912 -13.8823 -13.8823 -13.8734 -13.8734 -13.7410 -13.7410 -13.4962 -13.4962 -13.4917 -13.4917 -13.4064 -13.4064 -13.3722 -13.3722 -13.1510 -13.1510 -13.1207 -13.1207 -4.5325 -4.5325 -1.2799 -1.2799 6.2556 6.2556 6.2618 6.2618 6.3563 6.3563 7.0407 7.0407 7.4178 7.4178 7.4358 7.4358 8.9005 8.9005 8.9045 8.9045 9.4525 9.4525 9.7208 9.7221 k = 0.0948 0.0948 0.0948 ( 3788 PWs) bands (ev): -32.4901 -32.4901 -32.3917 -32.3917 -32.3917 -32.3917 -13.8818 -13.8818 -13.8710 -13.8710 -13.7399 -13.7399 -13.4970 -13.4970 -13.4909 -13.4909 -13.4064 -13.4064 -13.3748 -13.3748 -13.1566 -13.1566 -13.1209 -13.1209 -4.5144 -4.5144 -1.2702 -1.2702 6.2200 6.2200 6.2260 6.2260 6.3278 6.3278 6.9619 6.9619 7.3746 7.3746 7.3924 7.3924 8.9617 8.9617 8.9660 8.9660 9.4961 9.4961 9.7700 9.7700 k = 0.1034 0.1034 0.1034 ( 3782 PWs) bands (ev): -32.4889 -32.4889 -32.3923 -32.3923 -32.3923 -32.3923 -13.8813 -13.8813 -13.8685 -13.8685 -13.7387 -13.7387 -13.4979 -13.4979 -13.4899 -13.4899 -13.4064 -13.4064 -13.3778 -13.3778 -13.1622 -13.1622 -13.1212 -13.1212 -4.4949 -4.4949 -1.2598 -1.2598 6.1831 6.1831 6.1889 6.1889 6.2938 6.2938 6.8886 6.8886 7.3300 7.3300 7.3476 7.3476 9.0243 9.0243 9.0287 9.0287 9.5416 9.5416 9.8240 9.8240 k = 0.1121 0.1121 0.1121 ( 3776 PWs) bands (ev): -32.4877 -32.4877 -32.3929 -32.3929 -32.3929 -32.3929 -13.8809 -13.8809 -13.8660 -13.8660 -13.7374 -13.7374 -13.4991 -13.4991 -13.4888 -13.4888 -13.4062 -13.4062 -13.3812 -13.3812 -13.1679 -13.1679 -13.1214 -13.1214 -4.4740 -4.4740 -1.2488 -1.2488 6.1452 6.1452 6.1510 6.1510 6.2537 6.2537 6.8220 6.8220 7.2841 7.2841 7.3016 7.3016 9.0878 9.0878 9.0923 9.0923 9.5891 9.5891 9.8822 9.8822 k = 0.1207 0.1207 0.1207 ( 3791 PWs) bands (ev): -32.4864 -32.4864 -32.3935 -32.3935 -32.3935 -32.3935 -13.8806 -13.8806 -13.8635 -13.8635 -13.7363 -13.7363 -13.5007 -13.5007 -13.4876 -13.4876 -13.4059 -13.4059 -13.3850 -13.3850 -13.1734 -13.1734 -13.1217 -13.1217 -4.4517 -4.4517 -1.2372 -1.2372 6.1067 6.1067 6.1123 6.1123 6.2072 6.2072 6.7629 6.7629 7.2372 7.2372 7.2546 7.2546 9.1519 9.1519 9.1564 9.1564 9.6388 9.6388 9.9445 9.9445 k = 0.1293 0.1293 0.1293 ( 3779 PWs) bands (ev): -32.4850 -32.4850 -32.3942 -32.3942 -32.3942 -32.3942 -13.8804 -13.8804 -13.8609 -13.8609 -13.7351 -13.7351 -13.5024 -13.5024 -13.4860 -13.4860 -13.4056 -13.4056 -13.3890 -13.3890 -13.1786 -13.1786 -13.1219 -13.1219 -4.4281 -4.4281 -1.2251 -1.2251 6.0678 6.0678 6.0733 6.0733 6.1548 6.1548 6.7114 6.7114 7.1894 7.1894 7.2068 7.2068 9.2163 9.2163 9.2208 9.2208 9.6908 9.6908 10.0108 10.0108 k = 0.1379 0.1379 0.1379 ( 3767 PWs) bands (ev): -32.4835 -32.4835 -32.3948 -32.3948 -32.3948 -32.3948 -13.8803 -13.8803 -13.8583 -13.8583 -13.7340 -13.7340 -13.5043 -13.5043 -13.4842 -13.4842 -13.4057 -13.4057 -13.3930 -13.3930 -13.1835 -13.1835 -13.1220 -13.1220 -4.4033 -4.4033 -1.2126 -1.2126 6.0285 6.0285 6.0342 6.0342 6.0971 6.0971 6.6670 6.6670 7.1409 7.1409 7.1583 7.1583 9.2808 9.2808 9.2854 9.2854 9.7450 9.7450 10.0806 10.0807 k = 0.1466 0.1466 0.1466 ( 3761 PWs) bands (ev): -32.4820 -32.4820 -32.3956 -32.3956 -32.3956 -32.3956 -13.8804 -13.8804 -13.8559 -13.8559 -13.7330 -13.7330 -13.5065 -13.5065 -13.4822 -13.4822 -13.4070 -13.4070 -13.3960 -13.3960 -13.1879 -13.1879 -13.1221 -13.1221 -4.3773 -4.3773 -1.1998 -1.1998 5.9888 5.9888 5.9951 5.9951 6.0358 6.0358 6.6288 6.6288 7.0918 7.0918 7.1092 7.1092 9.3453 9.3453 9.3499 9.3499 9.8013 9.8013 10.1537 10.1538 k = 0.1552 0.1552 0.1552 ( 3758 PWs) bands (ev): -32.4804 -32.4804 -32.3963 -32.3963 -32.3963 -32.3963 -13.8806 -13.8806 -13.8535 -13.8535 -13.7322 -13.7322 -13.5090 -13.5090 -13.4800 -13.4800 -13.4107 -13.4107 -13.3969 -13.3969 -13.1918 -13.1918 -13.1222 -13.1222 -4.3502 -4.3502 -1.1867 -1.1867 5.9477 5.9477 5.9561 5.9561 5.9734 5.9734 6.5956 6.5956 7.0424 7.0424 7.0598 7.0598 9.4098 9.4098 9.4142 9.4142 9.8596 9.8596 10.2297 10.2298 k = 0.1638 0.1638 0.1638 ( 3761 PWs) bands (ev): -32.4787 -32.4787 -32.3971 -32.3971 -32.3971 -32.3971 -13.8811 -13.8811 -13.8514 -13.8514 -13.7318 -13.7318 -13.5117 -13.5117 -13.4775 -13.4775 -13.4162 -13.4162 -13.3962 -13.3962 -13.1951 -13.1951 -13.1223 -13.1223 -4.3221 -4.3221 -1.1734 -1.1734 5.8966 5.8966 5.9176 5.9176 5.9198 5.9198 6.5665 6.5665 6.9927 6.9927 7.0102 7.0102 9.4740 9.4740 9.4784 9.4784 9.9197 9.9197 10.3081 10.3081 k = 0.1724 0.1724 0.1724 ( 3761 PWs) bands (ev): -32.4770 -32.4770 -32.3980 -32.3980 -32.3980 -32.3980 -13.8817 -13.8817 -13.8494 -13.8494 -13.7317 -13.7317 -13.5146 -13.5146 -13.4747 -13.4747 -13.4227 -13.4227 -13.3946 -13.3946 -13.1978 -13.1978 -13.1222 -13.1222 -4.2932 -4.2932 -1.1600 -1.1600 5.8332 5.8332 5.8785 5.8785 5.8794 5.8794 6.5406 6.5406 6.9429 6.9429 6.9605 6.9605 9.5381 9.5381 9.5424 9.5424 9.9815 9.9815 10.3884 10.3886 k = 0.1810 0.1810 0.1810 ( 3773 PWs) bands (ev): -32.4752 -32.4752 -32.3988 -32.3988 -32.3988 -32.3988 -13.8825 -13.8825 -13.8476 -13.8476 -13.7320 -13.7320 -13.5177 -13.5177 -13.4716 -13.4716 -13.4298 -13.4298 -13.3927 -13.3927 -13.1998 -13.1998 -13.1222 -13.1222 -4.2633 -4.2633 -1.1466 -1.1466 5.7678 5.7678 5.8403 5.8403 5.8419 5.8419 6.5170 6.5170 6.8932 6.8932 6.9109 6.9109 9.6019 9.6019 9.6062 9.6062 10.0445 10.0445 10.4700 10.4700 k = 0.1897 0.1897 0.1897 ( 3767 PWs) bands (ev): -32.4734 -32.4734 -32.3997 -32.3997 -32.3997 -32.3997 -13.8834 -13.8834 -13.8461 -13.8461 -13.7329 -13.7329 -13.5208 -13.5208 -13.4681 -13.4681 -13.4370 -13.4370 -13.3904 -13.3904 -13.2011 -13.2011 -13.1221 -13.1221 -4.2327 -4.2327 -1.1332 -1.1332 5.7031 5.7031 5.8032 5.8032 5.8049 5.8049 6.4952 6.4952 6.8437 6.8437 6.8615 6.8615 9.6656 9.6656 9.6698 9.6698 10.1086 10.1086 10.5524 10.5524 k = 0.1983 0.1983 0.1983 ( 3761 PWs) bands (ev): -32.4716 -32.4716 -32.4005 -32.4005 -32.4005 -32.4005 -13.8846 -13.8846 -13.8448 -13.8448 -13.7343 -13.7343 -13.5241 -13.5241 -13.4643 -13.4643 -13.4444 -13.4444 -13.3879 -13.3879 -13.2017 -13.2017 -13.1218 -13.1218 -4.2015 -4.2015 -1.1199 -1.1199 5.6400 5.6400 5.7670 5.7670 5.7687 5.7687 6.4748 6.4748 6.7946 6.7946 6.8126 6.8126 9.7289 9.7289 9.7331 9.7331 10.1733 10.1733 10.6347 10.6352 k = 0.2069 0.2069 0.2069 ( 3767 PWs) bands (ev): -32.4697 -32.4697 -32.4014 -32.4014 -32.4014 -32.4014 -13.8860 -13.8860 -13.8437 -13.8437 -13.7364 -13.7364 -13.5276 -13.5276 -13.4602 -13.4602 -13.4517 -13.4517 -13.3853 -13.3853 -13.2018 -13.2018 -13.1215 -13.1215 -4.1696 -4.1696 -1.1069 -1.1069 5.5790 5.5790 5.7316 5.7316 5.7331 5.7331 6.4554 6.4554 6.7461 6.7461 6.7641 6.7641 9.7919 9.7919 9.7961 9.7961 10.2380 10.2380 10.7162 10.7164 k = 0.2155 0.2155 0.2155 ( 3773 PWs) bands (ev): -32.4678 -32.4678 -32.4024 -32.4024 -32.4024 -32.4024 -13.8876 -13.8876 -13.8430 -13.8430 -13.7393 -13.7393 -13.5312 -13.5312 -13.4588 -13.4588 -13.4559 -13.4559 -13.3825 -13.3825 -13.2011 -13.2011 -13.1211 -13.1211 -4.1373 -4.1373 -1.0941 -1.0941 5.5206 5.5206 5.6969 5.6969 5.6984 5.6984 6.4368 6.4368 6.6983 6.6983 6.7164 6.7164 9.8545 9.8545 9.8586 9.8586 10.3022 10.3022 10.7959 10.7970 k = 0.2241 0.2241 0.2241 ( 3758 PWs) bands (ev): -32.4659 -32.4659 -32.4033 -32.4033 -32.4033 -32.4033 -13.8894 -13.8894 -13.8425 -13.8425 -13.7429 -13.7429 -13.5348 -13.5348 -13.4654 -13.4654 -13.4511 -13.4511 -13.3795 -13.3795 -13.1998 -13.1998 -13.1206 -13.1206 -4.1046 -4.1046 -1.0817 -1.0817 5.4649 5.4649 5.6631 5.6631 5.6644 5.6644 6.4187 6.4187 6.6513 6.6513 6.6695 6.6695 9.9166 9.9166 9.9207 9.9207 10.3650 10.3650 10.8731 10.8765 k = 0.2328 0.2328 0.2328 ( 3758 PWs) bands (ev): -32.4639 -32.4639 -32.4042 -32.4042 -32.4042 -32.4042 -13.8914 -13.8914 -13.8424 -13.8424 -13.7473 -13.7473 -13.5387 -13.5387 -13.4714 -13.4714 -13.4462 -13.4462 -13.3765 -13.3765 -13.1980 -13.1980 -13.1200 -13.1200 -4.0715 -4.0715 -1.0697 -1.0697 5.4121 5.4121 5.6300 5.6300 5.6311 5.6311 6.4010 6.4010 6.6053 6.6053 6.6236 6.6236 9.9780 9.9780 9.9821 9.9821 10.4255 10.4255 10.9453 10.9466 k = 0.2414 0.2414 0.2414 ( 3767 PWs) bands (ev): -32.4619 -32.4619 -32.4051 -32.4051 -32.4051 -32.4051 -13.8937 -13.8937 -13.8425 -13.8425 -13.7526 -13.7526 -13.5428 -13.5428 -13.4766 -13.4766 -13.4410 -13.4410 -13.3735 -13.3735 -13.1956 -13.1956 -13.1193 -13.1193 -4.0383 -4.0383 -1.0581 -1.0581 5.3625 5.3625 5.5977 5.5977 5.5987 5.5987 6.3837 6.3837 6.5604 6.5604 6.5788 6.5788 10.0385 10.0385 10.0426 10.0426 10.4822 10.4822 11.0125 11.0138 k = 0.2500 0.2500 0.2500 ( 3749 PWs) bands (ev): -32.4600 -32.4600 -32.4060 -32.4060 -32.4060 -32.4060 -13.8962 -13.8962 -13.8429 -13.8429 -13.7585 -13.7585 -13.5471 -13.5471 -13.4810 -13.4810 -13.4355 -13.4355 -13.3703 -13.3703 -13.1927 -13.1927 -13.1185 -13.1185 -4.0049 -4.0049 -1.0471 -1.0471 5.3161 5.3161 5.5661 5.5661 5.5670 5.5670 6.3666 6.3666 6.5168 6.5168 6.5352 6.5352 10.0978 10.0978 10.1019 10.1019 10.5334 10.5334 11.0703 11.0707 k = 0.2586 0.2586 0.2586 ( 3761 PWs) bands (ev): -32.4580 -32.4580 -32.4070 -32.4070 -32.4070 -32.4070 -13.8990 -13.8990 -13.8436 -13.8436 -13.7652 -13.7652 -13.5517 -13.5517 -13.4846 -13.4846 -13.4299 -13.4299 -13.3673 -13.3673 -13.1894 -13.1894 -13.1176 -13.1176 -3.9716 -3.9716 -1.0366 -1.0366 5.2730 5.2730 5.5353 5.5353 5.5360 5.5360 6.3495 6.3495 6.4746 6.4746 6.4930 6.4930 10.1555 10.1555 10.1597 10.1597 10.5770 10.5770 11.0946 11.0947 k = 0.2672 0.2672 0.2672 ( 3761 PWs) bands (ev): -32.4560 -32.4560 -32.4079 -32.4079 -32.4079 -32.4079 -13.9021 -13.9021 -13.8445 -13.8445 -13.7725 -13.7725 -13.5566 -13.5566 -13.4872 -13.4872 -13.4241 -13.4241 -13.3642 -13.3642 -13.1856 -13.1856 -13.1166 -13.1166 -3.9382 -3.9382 -1.0268 -1.0268 5.2333 5.2333 5.5051 5.5051 5.5058 5.5058 6.3326 6.3326 6.4339 6.4339 6.4523 6.4523 10.2113 10.2113 10.2156 10.2156 10.6109 10.6109 11.0968 11.0968 k = 0.2759 0.2759 0.2759 ( 3773 PWs) bands (ev): -32.4541 -32.4541 -32.4089 -32.4089 -32.4089 -32.4089 -13.9055 -13.9055 -13.8458 -13.8458 -13.7802 -13.7802 -13.5617 -13.5617 -13.4891 -13.4891 -13.4183 -13.4183 -13.3612 -13.3612 -13.1815 -13.1815 -13.1155 -13.1155 -3.9051 -3.9051 -1.0176 -1.0176 5.1969 5.1969 5.4757 5.4757 5.4763 5.4763 6.3157 6.3157 6.3949 6.3949 6.4131 6.4131 10.2645 10.2645 10.2689 10.2689 10.6334 10.6334 11.1054 11.1054 k = 0.2845 0.2845 0.2845 ( 3767 PWs) bands (ev): -32.4521 -32.4521 -32.4098 -32.4098 -32.4098 -32.4098 -13.9092 -13.9092 -13.8472 -13.8472 -13.7882 -13.7882 -13.5669 -13.5669 -13.4901 -13.4901 -13.4122 -13.4122 -13.3582 -13.3582 -13.1771 -13.1771 -13.1142 -13.1142 -3.8722 -3.8722 -1.0091 -1.0091 5.1638 5.1638 5.4469 5.4469 5.4475 5.4475 6.2988 6.2988 6.3576 6.3576 6.3757 6.3757 10.3147 10.3147 10.3192 10.3192 10.6440 10.6440 11.1213 11.1213 k = 0.2931 0.2931 0.2931 ( 3764 PWs) bands (ev): -32.4502 -32.4502 -32.4107 -32.4107 -32.4107 -32.4107 -13.9133 -13.9133 -13.8488 -13.8488 -13.7964 -13.7964 -13.5722 -13.5722 -13.4904 -13.4904 -13.4061 -13.4061 -13.3553 -13.3553 -13.1723 -13.1723 -13.1129 -13.1129 -3.8396 -3.8396 -1.0013 -1.0013 5.1341 5.1341 5.4188 5.4188 5.4194 5.4194 6.2818 6.2818 6.3223 6.3223 6.3400 6.3400 10.3607 10.3607 10.3654 10.3654 10.6438 10.6438 11.1431 11.1431 k = 0.3017 0.3017 0.3017 ( 3758 PWs) bands (ev): -32.4483 -32.4483 -32.4116 -32.4116 -32.4116 -32.4116 -13.9178 -13.9178 -13.8506 -13.8506 -13.8046 -13.8046 -13.5775 -13.5775 -13.4903 -13.4903 -13.4000 -13.4000 -13.3524 -13.3524 -13.1673 -13.1673 -13.1114 -13.1114 -3.8075 -3.8075 -0.9942 -0.9942 5.1076 5.1076 5.3913 5.3913 5.3920 5.3920 6.2644 6.2644 6.2892 6.2892 6.3062 6.3062 10.4019 10.4019 10.4068 10.4068 10.6347 10.6347 11.1684 11.1684 k = 0.3103 0.3103 0.3103 ( 3758 PWs) bands (ev): -32.4464 -32.4464 -32.4124 -32.4124 -32.4124 -32.4124 -13.9227 -13.9227 -13.8525 -13.8525 -13.8127 -13.8127 -13.5827 -13.5827 -13.4896 -13.4896 -13.3940 -13.3940 -13.3497 -13.3497 -13.1621 -13.1621 -13.1099 -13.1099 -3.7759 -3.7759 -0.9877 -0.9877 5.0842 5.0842 5.3645 5.3645 5.3652 5.3652 6.2458 6.2458 6.2594 6.2594 6.2743 6.2743 10.4370 10.4370 10.4422 10.4422 10.6189 10.6189 11.1946 11.1946 k = 0.3190 0.3190 0.3190 ( 3758 PWs) bands (ev): -32.4446 -32.4446 -32.4133 -32.4133 -32.4133 -32.4133 -13.9281 -13.9281 -13.8546 -13.8546 -13.8205 -13.8205 -13.5879 -13.5879 -13.4887 -13.4887 -13.3880 -13.3880 -13.3470 -13.3470 -13.1567 -13.1567 -13.1083 -13.1083 -3.7450 -3.7450 -0.9820 -0.9820 5.0639 5.0639 5.3383 5.3383 5.3392 5.3392 6.2226 6.2226 6.2360 6.2360 6.2442 6.2442 10.4650 10.4650 10.4705 10.4705 10.5985 10.5985 11.2189 11.2190 k = 0.3276 0.3276 0.3276 ( 3752 PWs) bands (ev): -32.4428 -32.4428 -32.4141 -32.4141 -32.4141 -32.4141 -13.9338 -13.9338 -13.8567 -13.8567 -13.8279 -13.8279 -13.5930 -13.5930 -13.4874 -13.4874 -13.3821 -13.3821 -13.3444 -13.3444 -13.1512 -13.1512 -13.1066 -13.1066 -3.7148 -3.7148 -0.9770 -0.9770 5.0466 5.0466 5.3128 5.3128 5.3138 5.3138 6.1964 6.1964 6.2162 6.2162 6.2177 6.2177 10.4850 10.4850 10.4907 10.4907 10.5747 10.5747 11.2260 11.2269 k = 0.3362 0.3362 0.3362 ( 3752 PWs) bands (ev): -32.4411 -32.4411 -32.4150 -32.4150 -32.4150 -32.4150 -13.9400 -13.9400 -13.8590 -13.8590 -13.8350 -13.8350 -13.5979 -13.5979 -13.4859 -13.4859 -13.3763 -13.3763 -13.3420 -13.3420 -13.1457 -13.1457 -13.1048 -13.1048 -3.6854 -3.6854 -0.9726 -0.9726 5.0320 5.0320 5.2879 5.2879 5.2892 5.2892 6.1711 6.1711 6.1900 6.1900 6.2005 6.2005 10.4962 10.4962 10.5021 10.5021 10.5487 10.5487 11.2279 11.2289 k = 0.3448 0.3448 0.3448 ( 3740 PWs) bands (ev): -32.4394 -32.4394 -32.4157 -32.4157 -32.4157 -32.4157 -13.9465 -13.9465 -13.8612 -13.8612 -13.8415 -13.8415 -13.6026 -13.6026 -13.4843 -13.4843 -13.3707 -13.3707 -13.3396 -13.3396 -13.1401 -13.1401 -13.1029 -13.1029 -3.6568 -3.6568 -0.9688 -0.9688 5.0201 5.0201 5.2638 5.2638 5.2653 5.2653 6.1474 6.1474 6.1659 6.1659 6.1837 6.1837 10.4985 10.4985 10.5048 10.5048 10.5216 10.5216 11.2344 11.2363 k = 0.3534 0.3534 0.3534 ( 3746 PWs) bands (ev): -32.4378 -32.4378 -32.4165 -32.4165 -32.4165 -32.4165 -13.9534 -13.9534 -13.8635 -13.8635 -13.8476 -13.8476 -13.6071 -13.6071 -13.4826 -13.4826 -13.3652 -13.3652 -13.3373 -13.3373 -13.1346 -13.1346 -13.1011 -13.1011 -3.6293 -3.6293 -0.9657 -0.9657 5.0107 5.0107 5.2405 5.2405 5.2422 5.2422 6.1256 6.1256 6.1436 6.1436 6.1672 6.1672 10.4898 10.4898 10.4963 10.4963 10.4992 10.4992 11.2462 11.2472 k = 0.3621 0.3621 0.3621 ( 3752 PWs) bands (ev): -32.4363 -32.4363 -32.4172 -32.4172 -32.4172 -32.4172 -13.9605 -13.9605 -13.8658 -13.8658 -13.8531 -13.8531 -13.6115 -13.6115 -13.4809 -13.4809 -13.3601 -13.3601 -13.3352 -13.3352 -13.1291 -13.1291 -13.0991 -13.0991 -3.6028 -3.6028 -0.9631 -0.9631 5.0036 5.0036 5.2180 5.2180 5.2199 5.2199 6.1056 6.1056 6.1232 6.1232 6.1509 6.1509 10.4638 10.4638 10.4811 10.4811 10.4865 10.4865 11.2613 11.2642 k = 0.3707 0.3707 0.3707 ( 3752 PWs) bands (ev): -32.4348 -32.4348 -32.4179 -32.4179 -32.4179 -32.4179 -13.9677 -13.9677 -13.8681 -13.8681 -13.8580 -13.8580 -13.6156 -13.6156 -13.4791 -13.4791 -13.3551 -13.3551 -13.3331 -13.3331 -13.1237 -13.1237 -13.0972 -13.0972 -3.5775 -3.5775 -0.9610 -0.9610 4.9986 4.9986 5.1963 5.1963 5.1985 5.1985 6.0873 6.0873 6.1046 6.1046 6.1348 6.1348 10.4356 10.4356 10.4625 10.4625 10.4681 10.4681 11.2809 11.2825 k = 0.3793 0.3793 0.3793 ( 3764 PWs) bands (ev): -32.4334 -32.4334 -32.4186 -32.4186 -32.4186 -32.4186 -13.9750 -13.9750 -13.8703 -13.8703 -13.8624 -13.8624 -13.6195 -13.6195 -13.4774 -13.4774 -13.3505 -13.3505 -13.3313 -13.3313 -13.1186 -13.1186 -13.0953 -13.0953 -3.5534 -3.5534 -0.9594 -0.9594 4.9956 4.9956 5.1756 5.1756 5.1781 5.1781 6.0708 6.0708 6.0878 6.0878 6.1191 6.1191 10.4077 10.4077 10.4398 10.4398 10.4454 10.4454 11.2851 11.2851 k = 0.3879 0.3879 0.3879 ( 3761 PWs) bands (ev): -32.4320 -32.4320 -32.4192 -32.4192 -32.4192 -32.4192 -13.9822 -13.9822 -13.8725 -13.8725 -13.8664 -13.8664 -13.6231 -13.6231 -13.4756 -13.4756 -13.3460 -13.3460 -13.3295 -13.3295 -13.1135 -13.1135 -13.0933 -13.0933 -3.5305 -3.5305 -0.9581 -0.9581 4.9942 4.9942 5.1560 5.1560 5.1588 5.1588 6.0560 6.0560 6.0726 6.0726 6.1038 6.1038 10.3804 10.3804 10.4144 10.4144 10.4199 10.4199 11.2801 11.2801 k = 0.3966 0.3966 0.3966 ( 3761 PWs) bands (ev): -32.4308 -32.4308 -32.4198 -32.4198 -32.4198 -32.4198 -13.9893 -13.9893 -13.8746 -13.8746 -13.8699 -13.8699 -13.6265 -13.6265 -13.4740 -13.4740 -13.3419 -13.3419 -13.3278 -13.3278 -13.1087 -13.1087 -13.0914 -13.0914 -3.5091 -3.5091 -0.9573 -0.9573 4.9942 4.9942 5.1374 5.1374 5.1405 5.1405 6.0427 6.0427 6.0591 6.0591 6.0890 6.0890 10.3541 10.3541 10.3874 10.3874 10.3929 10.3929 11.2732 11.2732 k = 0.4052 0.4052 0.4052 ( 3761 PWs) bands (ev): -32.4296 -32.4296 -32.4203 -32.4203 -32.4203 -32.4203 -13.9960 -13.9960 -13.8766 -13.8766 -13.8730 -13.8730 -13.6296 -13.6296 -13.4724 -13.4724 -13.3381 -13.3381 -13.3262 -13.3262 -13.1041 -13.1041 -13.0895 -13.0895 -3.4891 -3.4891 -0.9568 -0.9568 4.9955 4.9955 5.1200 5.1200 5.1233 5.1233 6.0308 6.0308 6.0470 6.0470 6.0748 6.0748 10.3290 10.3290 10.3600 10.3600 10.3653 10.3653 11.2651 11.2651 k = 0.4138 0.4138 0.4138 ( 3755 PWs) bands (ev): -32.4286 -32.4286 -32.4208 -32.4208 -32.4208 -32.4208 -14.0025 -14.0025 -13.8784 -13.8784 -13.8758 -13.8758 -13.6325 -13.6325 -13.4709 -13.4709 -13.3346 -13.3346 -13.3248 -13.3248 -13.0998 -13.0998 -13.0877 -13.0877 -3.4706 -3.4706 -0.9565 -0.9565 4.9978 4.9978 5.1038 5.1038 5.1074 5.1074 6.0204 6.0204 6.0364 6.0364 6.0613 6.0613 10.3052 10.3052 10.3329 10.3329 10.3380 10.3380 11.2562 11.2562 k = 0.4224 0.4224 0.4224 ( 3761 PWs) bands (ev): -32.4276 -32.4276 -32.4213 -32.4213 -32.4213 -32.4213 -14.0085 -14.0085 -13.8802 -13.8802 -13.8783 -13.8783 -13.6351 -13.6351 -13.4696 -13.4696 -13.3314 -13.3314 -13.3235 -13.3235 -13.0959 -13.0959 -13.0861 -13.0861 -3.4537 -3.4537 -0.9564 -0.9564 5.0008 5.0008 5.0890 5.0890 5.0928 5.0928 6.0112 6.0112 6.0271 6.0271 6.0487 6.0487 10.2830 10.2830 10.3068 10.3068 10.3118 10.3118 11.2470 11.2470 k = 0.4310 0.4310 0.4310 ( 3759 PWs) bands (ev): -32.4267 -32.4267 -32.4217 -32.4217 -32.4217 -32.4217 -14.0140 -14.0140 -13.8818 -13.8818 -13.8804 -13.8804 -13.6375 -13.6375 -13.4683 -13.4683 -13.3286 -13.3286 -13.3223 -13.3223 -13.0922 -13.0922 -13.0845 -13.0845 -3.4384 -3.4384 -0.9565 -0.9565 5.0043 5.0043 5.0755 5.0755 5.0795 5.0795 6.0031 6.0031 6.0191 6.0191 6.0370 6.0370 10.2625 10.2625 10.2823 10.2823 10.2871 10.2871 11.2380 11.2380 k = 0.4397 0.4397 0.4397 ( 3756 PWs) bands (ev): -32.4259 -32.4259 -32.4221 -32.4221 -32.4221 -32.4221 -14.0190 -14.0190 -13.8832 -13.8832 -13.8822 -13.8822 -13.6396 -13.6396 -13.4672 -13.4672 -13.3261 -13.3261 -13.3213 -13.3213 -13.0890 -13.0890 -13.0830 -13.0830 -3.4248 -3.4248 -0.9567 -0.9567 5.0080 5.0080 5.0634 5.0634 5.0677 5.0677 5.9961 5.9961 6.0122 6.0122 6.0264 6.0264 10.2439 10.2439 10.2599 10.2599 10.2644 10.2644 11.2294 11.2294 k = 0.4483 0.4483 0.4483 ( 3750 PWs) bands (ev): -32.4252 -32.4252 -32.4224 -32.4224 -32.4224 -32.4224 -14.0234 -14.0234 -13.8845 -13.8845 -13.8838 -13.8838 -13.6413 -13.6413 -13.4662 -13.4662 -13.3239 -13.3239 -13.3204 -13.3204 -13.0861 -13.0861 -13.0817 -13.0817 -3.4129 -3.4129 -0.9570 -0.9570 5.0118 5.0118 5.0529 5.0529 5.0573 5.0573 5.9901 5.9901 6.0064 6.0064 6.0170 6.0170 10.2274 10.2274 10.2400 10.2400 10.2442 10.2442 11.2215 11.2215 k = 0.4569 0.4569 0.4569 ( 3762 PWs) bands (ev): -32.4246 -32.4246 -32.4227 -32.4227 -32.4227 -32.4227 -14.0273 -14.0273 -13.8856 -13.8856 -13.8851 -13.8851 -13.6429 -13.6429 -13.4653 -13.4653 -13.3220 -13.3220 -13.3196 -13.3196 -13.0837 -13.0837 -13.0806 -13.0806 -3.4027 -3.4027 -0.9573 -0.9573 5.0153 5.0153 5.0440 5.0440 5.0484 5.0484 5.9849 5.9849 6.0017 6.0017 6.0091 6.0091 10.2128 10.2128 10.2229 10.2229 10.2265 10.2265 11.2145 11.2145 k = 0.4655 0.4655 0.4655 ( 3774 PWs) bands (ev): -32.4241 -32.4241 -32.4229 -32.4229 -32.4229 -32.4229 -14.0305 -14.0305 -13.8865 -13.8865 -13.8862 -13.8862 -13.6442 -13.6442 -13.4647 -13.4647 -13.3205 -13.3205 -13.3190 -13.3190 -13.0817 -13.0817 -13.0797 -13.0797 -3.3944 -3.3944 -0.9576 -0.9576 5.0183 5.0183 5.0368 5.0368 5.0410 5.0410 5.9806 5.9806 5.9979 5.9979 6.0025 6.0025 10.2004 10.2004 10.2090 10.2090 10.2118 10.2118 11.2086 11.2086 k = 0.4741 0.4741 0.4741 ( 3780 PWs) bands (ev): -32.4238 -32.4238 -32.4231 -32.4231 -32.4231 -32.4231 -14.0330 -14.0330 -13.8872 -13.8872 -13.8871 -13.8871 -13.6452 -13.6452 -13.4642 -13.4642 -13.3194 -13.3194 -13.3186 -13.3186 -13.0801 -13.0801 -13.0790 -13.0790 -3.3878 -3.3878 -0.9578 -0.9578 5.0205 5.0205 5.0315 5.0315 5.0353 5.0353 5.9771 5.9771 5.9949 5.9949 5.9975 5.9975 10.1904 10.1904 10.1983 10.1983 10.2001 10.2001 11.2039 11.2039 k = 0.4828 0.4828 0.4828 ( 3798 PWs) bands (ev): -32.4235 -32.4235 -32.4232 -32.4232 -32.4232 -32.4232 -14.0348 -14.0348 -13.8878 -13.8878 -13.8877 -13.8877 -13.6459 -13.6459 -13.4638 -13.4638 -13.3186 -13.3186 -13.3183 -13.3183 -13.0790 -13.0790 -13.0785 -13.0785 -3.3832 -3.3832 -0.9580 -0.9580 5.0212 5.0212 5.0286 5.0286 5.0312 5.0312 5.9745 5.9745 5.9929 5.9929 5.9940 5.9940 10.1828 10.1828 10.1909 10.1909 10.1917 10.1917 11.2005 11.2005 k = 0.4914 0.4914 0.4914 ( 3840 PWs) bands (ev): -32.4234 -32.4234 -32.4233 -32.4233 -32.4233 -32.4233 -14.0360 -14.0360 -13.8882 -13.8882 -13.8882 -13.8882 -13.6465 -13.6465 -13.4637 -13.4637 -13.3182 -13.3182 -13.3181 -13.3181 -13.0784 -13.0784 -13.0783 -13.0783 -3.3804 -3.3804 -0.9581 -0.9581 5.0207 5.0207 5.0279 5.0279 5.0287 5.0287 5.9729 5.9729 5.9917 5.9917 5.9919 5.9919 10.1781 10.1781 10.1864 10.1864 10.1866 10.1866 11.1984 11.1984 k = 0.5000 0.5000 0.5000 ( 3840 PWs) bands (ev): -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -14.0364 -14.0364 -13.8883 -13.8883 -13.8883 -13.8883 -13.6466 -13.6466 -13.4636 -13.4636 -13.3180 -13.3180 -13.3180 -13.3180 -13.0782 -13.0782 -13.0782 -13.0782 -3.3794 -3.3794 -0.9582 -0.9582 5.0203 5.0203 5.0279 5.0279 5.0279 5.0279 5.9724 5.9724 5.9913 5.9913 5.9913 5.9913 10.1766 10.1766 10.1849 10.1849 10.1849 10.1849 11.1977 11.1977 k = 0.5000 0.5000 0.5000 ( 3840 PWs) bands (ev): -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -14.0364 -14.0364 -13.8883 -13.8883 -13.8883 -13.8883 -13.6466 -13.6466 -13.4636 -13.4636 -13.3180 -13.3180 -13.3180 -13.3180 -13.0782 -13.0782 -13.0782 -13.0782 -3.3794 -3.3794 -0.9582 -0.9582 5.0203 5.0203 5.0279 5.0279 5.0279 5.0279 5.9724 5.9724 5.9913 5.9913 5.9913 5.9913 10.1766 10.1766 10.1849 10.1849 10.1849 10.1849 11.1977 11.1977 k = 0.4894 0.5000 0.4894 ( 3840 PWs) bands (ev): -32.4234 -32.4234 -32.4233 -32.4233 -32.4233 -32.4233 -14.0360 -14.0360 -13.8882 -13.8882 -13.8882 -13.8882 -13.6465 -13.6465 -13.4637 -13.4637 -13.3182 -13.3182 -13.3181 -13.3181 -13.0784 -13.0784 -13.0782 -13.0782 -3.3804 -3.3804 -0.9581 -0.9581 5.0206 5.0206 5.0276 5.0276 5.0290 5.0290 5.9729 5.9729 5.9917 5.9917 5.9920 5.9920 10.1781 10.1781 10.1863 10.1863 10.1867 10.1867 11.1984 11.1984 k = 0.4787 0.5000 0.4787 ( 3800 PWs) bands (ev): -32.4235 -32.4235 -32.4233 -32.4233 -32.4232 -32.4232 -14.0348 -14.0348 -13.8879 -13.8879 -13.8876 -13.8876 -13.6459 -13.6459 -13.4638 -13.4638 -13.3186 -13.3186 -13.3182 -13.3182 -13.0791 -13.0791 -13.0784 -13.0784 -3.3832 -3.3832 -0.9580 -0.9580 5.0203 5.0203 5.0276 5.0276 5.0332 5.0332 5.9745 5.9745 5.9929 5.9929 5.9940 5.9940 10.1828 10.1828 10.1907 10.1907 10.1921 10.1921 11.2006 11.2006 k = 0.4681 0.5000 0.4681 ( 3788 PWs) bands (ev): -32.4237 -32.4237 -32.4233 -32.4233 -32.4230 -32.4230 -14.0329 -14.0329 -13.8874 -13.8874 -13.8869 -13.8869 -13.6452 -13.6452 -13.4642 -13.4642 -13.3195 -13.3195 -13.3186 -13.3186 -13.0804 -13.0804 -13.0788 -13.0788 -3.3880 -3.3880 -0.9578 -0.9578 5.0176 5.0176 5.0289 5.0289 5.0409 5.0409 5.9772 5.9772 5.9950 5.9950 5.9976 5.9976 10.1902 10.1902 10.1981 10.1981 10.2011 10.2011 11.2040 11.2040 k = 0.4574 0.5000 0.4574 ( 3772 PWs) bands (ev): -32.4240 -32.4240 -32.4233 -32.4233 -32.4227 -32.4227 -14.0304 -14.0304 -13.8868 -13.8868 -13.8859 -13.8859 -13.6441 -13.6441 -13.4647 -13.4647 -13.3206 -13.3206 -13.3190 -13.3190 -13.0822 -13.0822 -13.0793 -13.0793 -3.3946 -3.3946 -0.9575 -0.9575 5.0129 5.0129 5.0312 5.0312 5.0523 5.0523 5.9807 5.9807 5.9980 5.9980 6.0026 6.0026 10.1999 10.1999 10.2089 10.2089 10.2137 10.2137 11.2089 11.2089 k = 0.4468 0.5000 0.4468 ( 3772 PWs) bands (ev): -32.4243 -32.4243 -32.4233 -32.4233 -32.4223 -32.4223 -14.0271 -14.0271 -13.8861 -13.8861 -13.8846 -13.8846 -13.6429 -13.6429 -13.4654 -13.4654 -13.3222 -13.3222 -13.3196 -13.3196 -13.0846 -13.0846 -13.0800 -13.0800 -3.4030 -3.4030 -0.9572 -0.9572 5.0069 5.0069 5.0341 5.0341 5.0669 5.0669 5.9851 5.9851 6.0020 6.0020 6.0091 6.0091 10.2115 10.2115 10.2230 10.2230 10.2295 10.2295 11.2149 11.2149 k = 0.4362 0.5000 0.4362 ( 3768 PWs) bands (ev): -32.4248 -32.4248 -32.4233 -32.4233 -32.4219 -32.4219 -14.0233 -14.0233 -13.8852 -13.8852 -13.8830 -13.8830 -13.6413 -13.6413 -13.4663 -13.4663 -13.3241 -13.3241 -13.3204 -13.3204 -13.0874 -13.0874 -13.0808 -13.0808 -3.4132 -3.4132 -0.9569 -0.9569 4.9998 4.9998 5.0375 5.0375 5.0849 5.0849 5.9903 5.9903 6.0069 6.0069 6.0171 6.0171 10.2251 10.2251 10.2405 10.2405 10.2485 10.2485 11.2220 11.2220 k = 0.4255 0.5000 0.4255 ( 3772 PWs) bands (ev): -32.4253 -32.4253 -32.4233 -32.4233 -32.4214 -32.4214 -14.0187 -14.0187 -13.8842 -13.8842 -13.8812 -13.8812 -13.6395 -13.6395 -13.4673 -13.4673 -13.3263 -13.3263 -13.3213 -13.3213 -13.0906 -13.0906 -13.0818 -13.0818 -3.4251 -3.4251 -0.9565 -0.9565 4.9920 4.9920 5.0412 5.0412 5.1060 5.1060 5.9962 5.9962 6.0128 6.0128 6.0266 6.0266 10.2406 10.2406 10.2612 10.2612 10.2701 10.2701 11.2302 11.2302 k = 0.4149 0.5000 0.4149 ( 3768 PWs) bands (ev): -32.4259 -32.4259 -32.4233 -32.4233 -32.4209 -32.4209 -14.0136 -14.0136 -13.8830 -13.8830 -13.8791 -13.8791 -13.6373 -13.6373 -13.4684 -13.4684 -13.3289 -13.3289 -13.3222 -13.3222 -13.0943 -13.0943 -13.0829 -13.0829 -3.4387 -3.4387 -0.9562 -0.9562 4.9838 4.9838 5.0451 5.0451 5.1302 5.1302 6.0029 6.0029 6.0200 6.0200 6.0374 6.0374 10.2579 10.2579 10.2850 10.2850 10.2941 10.2941 11.2392 11.2392 k = 0.4043 0.5000 0.4043 ( 3766 PWs) bands (ev): -32.4266 -32.4266 -32.4234 -32.4234 -32.4202 -32.4202 -14.0079 -14.0079 -13.8817 -13.8817 -13.8767 -13.8767 -13.6349 -13.6349 -13.4697 -13.4697 -13.3317 -13.3317 -13.3234 -13.3234 -13.0984 -13.0984 -13.0842 -13.0842 -3.4538 -3.4538 -0.9560 -0.9560 4.9754 4.9754 5.0490 5.0490 5.1574 5.1574 6.0102 6.0102 6.0284 6.0284 6.0494 6.0494 10.2769 10.2769 10.3118 10.3118 10.3201 10.3201 11.2488 11.2488 k = 0.3936 0.5000 0.3936 ( 3760 PWs) bands (ev): -32.4273 -32.4273 -32.4234 -32.4234 -32.4195 -32.4195 -14.0017 -14.0017 -13.8802 -13.8802 -13.8741 -13.8741 -13.6322 -13.6322 -13.4711 -13.4711 -13.3349 -13.3349 -13.3246 -13.3246 -13.1028 -13.1028 -13.0856 -13.0856 -3.4705 -3.4705 -0.9559 -0.9559 4.9672 4.9672 5.0528 5.0528 5.1876 5.1876 6.0182 6.0182 6.0383 6.0383 6.0626 6.0626 10.2973 10.2973 10.3414 10.3414 10.3479 10.3479 11.2588 11.2588 k = 0.3830 0.5000 0.3830 ( 3756 PWs) bands (ev): -32.4281 -32.4281 -32.4234 -32.4234 -32.4188 -32.4188 -13.9950 -13.9950 -13.8786 -13.8786 -13.8712 -13.8712 -13.6293 -13.6293 -13.4727 -13.4727 -13.3383 -13.3383 -13.3261 -13.3261 -13.1075 -13.1075 -13.0872 -13.0872 -3.4886 -3.4886 -0.9559 -0.9559 4.9595 4.9595 5.0563 5.0563 5.2205 5.2205 6.0269 6.0269 6.0497 6.0497 6.0768 6.0768 10.3189 10.3189 10.3726 10.3726 10.3780 10.3780 11.2689 11.2689 k = 0.3723 0.5000 0.3723 ( 3760 PWs) bands (ev): -32.4290 -32.4290 -32.4234 -32.4234 -32.4180 -32.4180 -13.9880 -13.9880 -13.8769 -13.8769 -13.8680 -13.8680 -13.6261 -13.6261 -13.4744 -13.4744 -13.3421 -13.3421 -13.3276 -13.3276 -13.1125 -13.1125 -13.0889 -13.0889 -3.5080 -3.5080 -0.9561 -0.9561 4.9525 4.9525 5.0593 5.0593 5.2562 5.2562 6.0361 6.0361 6.0626 6.0626 6.0920 6.0920 10.3413 10.3413 10.4030 10.4030 10.4123 10.4123 11.2788 11.2788 k = 0.3617 0.5000 0.3617 ( 3752 PWs) bands (ev): -32.4299 -32.4299 -32.4234 -32.4234 -32.4171 -32.4171 -13.9805 -13.9805 -13.8750 -13.8750 -13.8645 -13.8645 -13.6226 -13.6226 -13.4761 -13.4761 -13.3461 -13.3461 -13.3293 -13.3293 -13.1178 -13.1178 -13.0907 -13.0907 -3.5287 -3.5287 -0.9564 -0.9564 4.9466 4.9466 5.0618 5.0618 5.2944 5.2944 6.0461 6.0461 6.0772 6.0772 6.1079 6.1079 10.3643 10.3643 10.4327 10.4327 10.4505 10.4505 11.2878 11.2878 k = 0.3511 0.5000 0.3511 ( 3758 PWs) bands (ev): -32.4309 -32.4309 -32.4234 -32.4234 -32.4162 -32.4162 -13.9728 -13.9728 -13.8730 -13.8730 -13.8607 -13.8607 -13.6188 -13.6188 -13.4780 -13.4780 -13.3503 -13.3503 -13.3311 -13.3311 -13.1233 -13.1233 -13.0927 -13.0927 -3.5504 -3.5504 -0.9571 -0.9571 4.9419 4.9419 5.0637 5.0637 5.3351 5.3351 6.0567 6.0567 6.0933 6.0933 6.1246 6.1246 10.3872 10.3872 10.4620 10.4620 10.4917 10.4917 11.2578 11.2579 k = 0.3404 0.5000 0.3404 ( 3758 PWs) bands (ev): -32.4319 -32.4319 -32.4235 -32.4235 -32.4153 -32.4153 -13.9649 -13.9649 -13.8709 -13.8709 -13.8567 -13.8567 -13.6148 -13.6148 -13.4800 -13.4800 -13.3548 -13.3548 -13.3330 -13.3330 -13.1289 -13.1289 -13.0947 -13.0947 -3.5732 -3.5732 -0.9580 -0.9580 4.9388 4.9388 5.0647 5.0647 5.3782 5.3782 6.0679 6.0679 6.1110 6.1110 6.1420 6.1420 10.4098 10.4098 10.4908 10.4908 10.5356 10.5356 11.2148 11.2148 k = 0.3298 0.5000 0.3298 ( 3754 PWs) bands (ev): -32.4329 -32.4329 -32.4235 -32.4235 -32.4143 -32.4143 -13.9568 -13.9568 -13.8687 -13.8687 -13.8523 -13.8523 -13.6106 -13.6106 -13.4820 -13.4820 -13.3594 -13.3594 -13.3351 -13.3351 -13.1347 -13.1347 -13.0969 -13.0969 -3.5970 -3.5970 -0.9592 -0.9592 4.9375 4.9375 5.0649 5.0649 5.4234 5.4234 6.0799 6.0799 6.1303 6.1303 6.1599 6.1599 10.4315 10.4315 10.5189 10.5189 10.5821 10.5821 11.1678 11.1678 k = 0.3191 0.5000 0.3191 ( 3750 PWs) bands (ev): -32.4340 -32.4340 -32.4235 -32.4235 -32.4132 -32.4132 -13.9487 -13.9487 -13.8664 -13.8664 -13.8477 -13.8477 -13.6062 -13.6062 -13.4841 -13.4841 -13.3642 -13.3642 -13.3372 -13.3372 -13.1405 -13.1405 -13.0992 -13.0992 -3.6215 -3.6215 -0.9608 -0.9608 4.9382 4.9382 5.0642 5.0642 5.4706 5.4706 6.0925 6.0925 6.1510 6.1510 6.1782 6.1782 10.4516 10.4516 10.5461 10.5461 10.6310 10.6310 11.1170 11.1170 k = 0.3085 0.5000 0.3085 ( 3750 PWs) bands (ev): -32.4352 -32.4352 -32.4235 -32.4235 -32.4121 -32.4121 -13.9406 -13.9406 -13.8640 -13.8640 -13.8428 -13.8428 -13.6015 -13.6015 -13.4861 -13.4861 -13.3691 -13.3691 -13.3395 -13.3395 -13.1464 -13.1464 -13.1016 -13.1016 -3.6467 -3.6467 -0.9627 -0.9627 4.9410 4.9410 5.0626 5.0626 5.5197 5.5197 6.1058 6.1058 6.1730 6.1730 6.1970 6.1970 10.4696 10.4696 10.5721 10.5721 10.6823 10.6823 11.0626 11.0626 k = 0.2979 0.5000 0.2979 ( 3746 PWs) bands (ev): -32.4364 -32.4364 -32.4236 -32.4236 -32.4110 -32.4110 -13.9327 -13.9327 -13.8615 -13.8615 -13.8375 -13.8375 -13.5967 -13.5967 -13.4882 -13.4882 -13.3740 -13.3740 -13.3419 -13.3419 -13.1524 -13.1524 -13.1041 -13.1041 -3.6724 -3.6724 -0.9650 -0.9650 4.9462 4.9462 5.0601 5.0601 5.5705 5.5705 6.1198 6.1198 6.1963 6.1963 6.2161 6.2161 10.4850 10.4850 10.5969 10.5969 10.7359 10.7359 11.0051 11.0051 k = 0.2872 0.5000 0.2872 ( 3756 PWs) bands (ev): -32.4376 -32.4376 -32.4236 -32.4236 -32.4099 -32.4099 -13.9250 -13.9250 -13.8590 -13.8590 -13.8321 -13.8321 -13.5917 -13.5917 -13.4903 -13.4903 -13.3790 -13.3790 -13.3445 -13.3445 -13.1584 -13.1584 -13.1067 -13.1067 -3.6986 -3.6986 -0.9676 -0.9676 4.9538 4.9538 5.0566 5.0566 5.6227 5.6227 6.1344 6.1344 6.2206 6.2206 6.2354 6.2354 10.4972 10.4972 10.6202 10.6202 10.7916 10.7916 10.9447 10.9447 k = 0.2766 0.5000 0.2766 ( 3768 PWs) bands (ev): -32.4388 -32.4388 -32.4236 -32.4236 -32.4088 -32.4088 -13.9175 -13.9175 -13.8564 -13.8564 -13.8264 -13.8264 -13.5867 -13.5867 -13.4922 -13.4922 -13.3839 -13.3839 -13.3472 -13.3472 -13.1643 -13.1643 -13.1094 -13.1094 -3.7251 -3.7251 -0.9707 -0.9707 4.9639 4.9639 5.0523 5.0523 5.6763 5.6763 6.1497 6.1497 6.2457 6.2457 6.2549 6.2549 10.5057 10.5057 10.6420 10.6420 10.8493 10.8493 10.8819 10.8819 k = 0.2660 0.5000 0.2660 ( 3764 PWs) bands (ev): -32.4400 -32.4400 -32.4237 -32.4237 -32.4076 -32.4076 -13.9104 -13.9104 -13.8537 -13.8537 -13.8205 -13.8205 -13.5815 -13.5815 -13.4940 -13.4940 -13.3886 -13.3886 -13.3499 -13.3499 -13.1702 -13.1702 -13.1121 -13.1121 -3.7518 -3.7518 -0.9741 -0.9741 4.9766 4.9766 5.0471 5.0471 5.7310 5.7310 6.1655 6.1655 6.2710 6.2710 6.2750 6.2750 10.5104 10.5104 10.6621 10.6621 10.8171 10.8171 10.9089 10.9089 k = 0.2553 0.5000 0.2553 ( 3758 PWs) bands (ev): -32.4412 -32.4412 -32.4237 -32.4237 -32.4065 -32.4065 -13.9037 -13.9037 -13.8510 -13.8510 -13.8143 -13.8143 -13.5763 -13.5763 -13.4955 -13.4955 -13.3932 -13.3932 -13.3528 -13.3528 -13.1761 -13.1761 -13.1149 -13.1149 -3.7786 -3.7786 -0.9779 -0.9779 4.9920 4.9920 5.0412 5.0412 5.7865 5.7865 6.1820 6.1820 6.2926 6.2926 6.2994 6.2994 10.5110 10.5110 10.6803 10.6803 10.7508 10.7508 10.9703 10.9703 k = 0.2447 0.5000 0.2447 ( 3758 PWs) bands (ev): -32.4425 -32.4425 -32.4237 -32.4237 -32.4053 -32.4053 -13.8974 -13.8974 -13.8481 -13.8481 -13.8081 -13.8081 -13.5712 -13.5712 -13.4968 -13.4968 -13.3976 -13.3976 -13.3558 -13.3558 -13.1819 -13.1819 -13.1177 -13.1177 -3.8054 -3.8054 -0.9821 -0.9821 5.0099 5.0099 5.0347 5.0347 5.8428 5.8428 6.1989 6.1989 6.3120 6.3120 6.3263 6.3263 10.5075 10.5075 10.6828 10.6828 10.6969 10.6969 11.0334 11.0334 k = 0.2340 0.5000 0.2340 ( 3762 PWs) bands (ev): -32.4437 -32.4437 -32.4237 -32.4237 -32.4041 -32.4041 -13.8916 -13.8916 -13.8453 -13.8453 -13.8019 -13.8019 -13.5663 -13.5663 -13.4977 -13.4977 -13.4016 -13.4016 -13.3589 -13.3589 -13.1876 -13.1876 -13.1206 -13.1206 -3.8320 -3.8320 -0.9866 -0.9866 5.0265 5.0265 5.0316 5.0316 5.8994 5.8994 6.2164 6.2164 6.3310 6.3310 6.3536 6.3536 10.5000 10.5000 10.6149 10.6149 10.7100 10.7100 11.0980 11.0980 k = 0.2234 0.5000 0.2234 ( 3764 PWs) bands (ev): -32.4450 -32.4450 -32.4238 -32.4238 -32.4030 -32.4030 -13.8862 -13.8862 -13.8423 -13.8423 -13.7957 -13.7957 -13.5617 -13.5617 -13.4982 -13.4982 -13.4053 -13.4053 -13.3621 -13.3621 -13.1933 -13.1933 -13.1234 -13.1234 -3.8584 -3.8584 -0.9915 -0.9915 5.0196 5.0196 5.0540 5.0540 5.9563 5.9563 6.2342 6.2342 6.3495 6.3495 6.3810 6.3810 10.4888 10.4888 10.5464 10.5464 10.7203 10.7203 11.1639 11.1640 k = 0.2128 0.5000 0.2128 ( 3768 PWs) bands (ev): -32.4462 -32.4462 -32.4238 -32.4238 -32.4018 -32.4018 -13.8814 -13.8814 -13.8393 -13.8393 -13.7896 -13.7896 -13.5574 -13.5574 -13.4982 -13.4982 -13.4085 -13.4085 -13.3654 -13.3654 -13.1989 -13.1989 -13.1263 -13.1263 -3.8843 -3.8843 -0.9966 -0.9966 5.0115 5.0115 5.0796 5.0796 6.0131 6.0131 6.2524 6.2524 6.3675 6.3675 6.4083 6.4083 10.4722 10.4722 10.4798 10.4798 10.7265 10.7265 11.1492 11.1494 k = 0.2021 0.5000 0.2021 ( 3764 PWs) bands (ev): -32.4474 -32.4474 -32.4238 -32.4238 -32.4007 -32.4007 -13.8771 -13.8771 -13.8362 -13.8362 -13.7837 -13.7837 -13.5535 -13.5535 -13.4976 -13.4976 -13.4111 -13.4111 -13.3687 -13.3687 -13.2045 -13.2045 -13.1291 -13.1291 -3.9098 -3.9098 -1.0019 -1.0019 5.0030 5.0030 5.1075 5.1075 6.0696 6.0696 6.2709 6.2709 6.3849 6.3849 6.4353 6.4353 10.4092 10.4092 10.4571 10.4571 10.7273 10.7273 11.1229 11.1230 k = 0.1915 0.5000 0.1915 ( 3766 PWs) bands (ev): -32.4485 -32.4485 -32.4238 -32.4238 -32.3996 -32.3996 -13.8734 -13.8734 -13.8330 -13.8330 -13.7782 -13.7782 -13.5502 -13.5502 -13.4965 -13.4965 -13.4131 -13.4131 -13.3722 -13.3722 -13.2100 -13.2100 -13.1320 -13.1320 -3.9347 -3.9347 -1.0074 -1.0074 4.9944 4.9944 5.1376 5.1376 6.1256 6.1256 6.2896 6.2896 6.4016 6.4016 6.4620 6.4620 10.3421 10.3421 10.4368 10.4368 10.7213 10.7213 11.1000 11.1000 k = 0.1809 0.5000 0.1809 ( 3764 PWs) bands (ev): -32.4497 -32.4497 -32.4239 -32.4239 -32.3985 -32.3985 -13.8701 -13.8701 -13.8297 -13.8297 -13.7730 -13.7730 -13.5473 -13.5473 -13.4948 -13.4948 -13.4143 -13.4143 -13.3757 -13.3757 -13.2154 -13.2154 -13.1347 -13.1347 -3.9589 -3.9589 -1.0131 -1.0131 4.9855 4.9855 5.1697 5.1697 6.1807 6.1807 6.3084 6.3084 6.4176 6.4176 6.4880 6.4880 10.2760 10.2760 10.4143 10.4143 10.7070 10.7070 11.0825 11.0825 k = 0.1702 0.5000 0.1702 ( 3768 PWs) bands (ev): -32.4508 -32.4508 -32.4239 -32.4239 -32.3975 -32.3975 -13.8673 -13.8673 -13.8263 -13.8263 -13.7682 -13.7682 -13.5449 -13.5449 -13.4928 -13.4928 -13.4147 -13.4147 -13.3792 -13.3792 -13.2208 -13.2208 -13.1374 -13.1374 -3.9823 -3.9823 -1.0189 -1.0189 4.9766 4.9766 5.2035 5.2035 6.2347 6.2347 6.3272 6.3272 6.4326 6.4326 6.5133 6.5133 10.2114 10.2114 10.3900 10.3900 10.6838 10.6838 11.0717 11.0717 k = 0.1596 0.5000 0.1596 ( 3760 PWs) bands (ev): -32.4518 -32.4518 -32.4239 -32.4239 -32.3965 -32.3965 -13.8650 -13.8650 -13.8228 -13.8228 -13.7639 -13.7639 -13.5429 -13.5429 -13.4906 -13.4906 -13.4143 -13.4143 -13.3827 -13.3827 -13.2261 -13.2261 -13.1400 -13.1400 -4.0048 -4.0048 -1.0247 -1.0247 4.9678 4.9678 5.2387 5.2387 6.2873 6.2873 6.3460 6.3460 6.4467 6.4467 6.5378 6.5378 10.1486 10.1486 10.3644 10.3644 10.6522 10.6522 11.0681 11.0681 k = 0.1489 0.5000 0.1489 ( 3756 PWs) bands (ev): -32.4528 -32.4528 -32.4239 -32.4239 -32.3955 -32.3955 -13.8630 -13.8630 -13.8193 -13.8193 -13.7601 -13.7601 -13.5412 -13.5412 -13.4882 -13.4882 -13.4131 -13.4131 -13.3861 -13.3861 -13.2314 -13.2314 -13.1425 -13.1425 -4.0263 -4.0263 -1.0304 -1.0304 4.9591 4.9591 5.2751 5.2751 6.3381 6.3381 6.3646 6.3646 6.4597 6.4597 6.5612 6.5612 10.0881 10.0881 10.3379 10.3379 10.6135 10.6135 11.0709 11.0709 k = 0.1383 0.5000 0.1383 ( 3760 PWs) bands (ev): -32.4538 -32.4538 -32.4240 -32.4240 -32.3946 -32.3946 -13.8616 -13.8616 -13.8157 -13.8157 -13.7568 -13.7568 -13.5397 -13.5397 -13.4859 -13.4859 -13.4113 -13.4113 -13.3893 -13.3893 -13.2367 -13.2367 -13.1449 -13.1449 -4.0468 -4.0468 -1.0361 -1.0361 4.9506 4.9506 5.3122 5.3122 6.3805 6.3805 6.3894 6.3894 6.4716 6.4716 6.5836 6.5836 10.0300 10.0300 10.3109 10.3109 10.5696 10.5696 11.0792 11.0794 k = 0.1277 0.5000 0.1277 ( 3764 PWs) bands (ev): -32.4547 -32.4547 -32.4240 -32.4240 -32.3937 -32.3937 -13.8604 -13.8604 -13.8122 -13.8122 -13.7540 -13.7540 -13.5384 -13.5384 -13.4837 -13.4837 -13.4095 -13.4095 -13.3917 -13.3917 -13.2420 -13.2420 -13.1471 -13.1471 -4.0660 -4.0660 -1.0417 -1.0417 4.9424 4.9424 5.3497 5.3497 6.3993 6.3993 6.4349 6.4349 6.4823 6.4823 6.6047 6.6047 9.9747 9.9747 10.2839 10.2839 10.5224 10.5224 11.0916 11.0917 k = 0.1170 0.5000 0.1170 ( 3760 PWs) bands (ev): -32.4556 -32.4556 -32.4240 -32.4240 -32.3929 -32.3929 -13.8596 -13.8596 -13.8087 -13.8087 -13.7517 -13.7517 -13.5371 -13.5371 -13.4814 -13.4814 -13.4087 -13.4087 -13.3924 -13.3924 -13.2473 -13.2473 -13.1492 -13.1492 -4.0841 -4.0841 -1.0470 -1.0470 4.9345 4.9345 5.3872 5.3872 6.4163 6.4163 6.4790 6.4790 6.4919 6.4919 6.6245 6.6245 9.9226 9.9226 10.2573 10.2573 10.4736 10.4736 11.1074 11.1079 k = 0.1064 0.5000 0.1064 ( 3760 PWs) bands (ev): -32.4564 -32.4564 -32.4240 -32.4240 -32.3921 -32.3921 -13.8590 -13.8590 -13.8052 -13.8052 -13.7500 -13.7500 -13.5359 -13.5359 -13.4792 -13.4792 -13.4097 -13.4097 -13.3906 -13.3906 -13.2526 -13.2526 -13.1512 -13.1512 -4.1008 -4.1008 -1.0521 -1.0521 4.9271 4.9271 5.4241 5.4241 6.4323 6.4323 6.5001 6.5001 6.5207 6.5207 6.6429 6.6429 9.8738 9.8738 10.2316 10.2316 10.4246 10.4246 11.1223 11.1224 k = 0.0957 0.5000 0.0957 ( 3760 PWs) bands (ev): -32.4571 -32.4571 -32.4240 -32.4240 -32.3914 -32.3914 -13.8586 -13.8586 -13.8018 -13.8018 -13.7487 -13.7487 -13.5348 -13.5348 -13.4770 -13.4770 -13.4123 -13.4123 -13.3868 -13.3868 -13.2579 -13.2579 -13.1530 -13.1530 -4.1161 -4.1161 -1.0569 -1.0569 4.9202 4.9202 5.4600 5.4600 6.4472 6.4472 6.5072 6.5072 6.5592 6.5592 6.6598 6.6598 9.8287 9.8287 10.2071 10.2071 10.3767 10.3767 11.1151 11.1151 k = 0.0851 0.5000 0.0851 ( 3760 PWs) bands (ev): -32.4578 -32.4578 -32.4240 -32.4240 -32.3908 -32.3908 -13.8584 -13.8584 -13.7986 -13.7986 -13.7478 -13.7478 -13.5338 -13.5338 -13.4746 -13.4746 -13.4158 -13.4158 -13.3820 -13.3820 -13.2631 -13.2631 -13.1546 -13.1546 -4.1300 -4.1300 -1.0613 -1.0613 4.9138 4.9138 5.4944 5.4944 6.4609 6.4609 6.5133 6.5133 6.5944 6.5944 6.6752 6.6752 9.7876 9.7876 10.1842 10.1842 10.3309 10.3309 11.1065 11.1065 k = 0.0745 0.5000 0.0745 ( 3764 PWs) bands (ev): -32.4584 -32.4584 -32.4241 -32.4241 -32.3902 -32.3902 -13.8584 -13.8584 -13.7955 -13.7955 -13.7472 -13.7472 -13.5330 -13.5330 -13.4720 -13.4720 -13.4196 -13.4196 -13.3767 -13.3767 -13.2683 -13.2683 -13.1560 -13.1560 -4.1424 -4.1424 -1.0653 -1.0653 4.9081 4.9081 5.5266 5.5266 6.4731 6.4731 6.5184 6.5184 6.6261 6.6261 6.6889 6.6889 9.7506 9.7506 10.1632 10.1632 10.2883 10.2883 11.0989 11.0989 k = 0.0638 0.5000 0.0638 ( 3780 PWs) bands (ev): -32.4589 -32.4589 -32.4241 -32.4241 -32.3898 -32.3898 -13.8585 -13.8585 -13.7927 -13.7927 -13.7470 -13.7470 -13.5322 -13.5322 -13.4693 -13.4693 -13.4236 -13.4236 -13.3712 -13.3712 -13.2734 -13.2734 -13.1573 -13.1573 -4.1533 -4.1533 -1.0689 -1.0689 4.9030 4.9030 5.5562 5.5562 6.4836 6.4836 6.5228 6.5228 6.6541 6.6541 6.7010 6.7010 9.7181 9.7181 10.1444 10.1444 10.2496 10.2496 11.0921 11.0922 k = 0.0532 0.5000 0.0532 ( 3772 PWs) bands (ev): -32.4593 -32.4593 -32.4241 -32.4241 -32.3893 -32.3893 -13.8586 -13.8586 -13.7901 -13.7901 -13.7470 -13.7470 -13.5316 -13.5316 -13.4663 -13.4663 -13.4277 -13.4277 -13.3657 -13.3657 -13.2782 -13.2782 -13.1583 -13.1583 -4.1625 -4.1625 -1.0720 -1.0720 4.8986 4.8986 5.5824 5.5824 6.4922 6.4922 6.5266 6.5266 6.6780 6.6780 6.7114 6.7114 9.6901 9.6901 10.1281 10.1281 10.2155 10.2155 11.0866 11.0866 k = 0.0426 0.5000 0.0426 ( 3772 PWs) bands (ev): -32.4597 -32.4597 -32.4241 -32.4241 -32.3890 -32.3890 -13.8587 -13.8587 -13.7879 -13.7879 -13.7471 -13.7471 -13.5311 -13.5311 -13.4631 -13.4631 -13.4319 -13.4319 -13.3605 -13.3605 -13.2827 -13.2827 -13.1591 -13.1591 -4.1701 -4.1701 -1.0746 -1.0746 4.8950 4.8950 5.6048 5.6048 6.4989 6.4989 6.5300 6.5300 6.6976 6.6976 6.7201 6.7201 9.6670 9.6670 10.1145 10.1145 10.1868 10.1868 11.0820 11.0820 k = 0.0319 0.5000 0.0319 ( 3784 PWs) bands (ev): -32.4600 -32.4600 -32.4241 -32.4241 -32.3887 -32.3887 -13.8588 -13.8588 -13.7860 -13.7860 -13.7474 -13.7474 -13.5307 -13.5307 -13.4597 -13.4597 -13.4361 -13.4361 -13.3559 -13.3559 -13.2869 -13.2869 -13.1599 -13.1599 -4.1761 -4.1761 -1.0766 -1.0766 4.8921 4.8921 5.6229 5.6229 6.5035 6.5035 6.5330 6.5330 6.7127 6.7127 6.7273 6.7273 9.6489 9.6489 10.1036 10.1036 10.1639 10.1639 11.0784 11.0784 k = 0.0213 0.5000 0.0213 ( 3784 PWs) bands (ev): -32.4602 -32.4602 -32.4241 -32.4241 -32.3885 -32.3885 -13.8589 -13.8589 -13.7847 -13.7847 -13.7477 -13.7477 -13.5304 -13.5304 -13.4562 -13.4562 -13.4402 -13.4402 -13.3522 -13.3522 -13.2901 -13.2901 -13.1603 -13.1603 -4.1804 -4.1804 -1.0781 -1.0781 4.8901 4.8901 5.6362 5.6362 6.5065 6.5065 6.5355 6.5355 6.7229 6.7229 6.7331 6.7331 9.6358 9.6358 10.0958 10.0958 10.1472 10.1472 11.0759 11.0759 k = 0.0106 0.5000 0.0106 ( 3772 PWs) bands (ev): -32.4603 -32.4603 -32.4241 -32.4241 -32.3884 -32.3884 -13.8590 -13.8590 -13.7838 -13.7838 -13.7478 -13.7478 -13.5302 -13.5302 -13.4524 -13.4524 -13.4442 -13.4442 -13.3497 -13.3497 -13.2923 -13.2923 -13.1606 -13.1606 -4.1830 -4.1830 -1.0790 -1.0790 4.8888 4.8888 5.6443 5.6443 6.5082 6.5082 6.5371 6.5371 6.7284 6.7284 6.7373 6.7373 9.6280 9.6280 10.0910 10.0910 10.1371 10.1371 11.0744 11.0744 k = 0.0000 0.5000-0.0000 ( 3764 PWs) bands (ev): -32.4604 -32.4604 -32.4241 -32.4241 -32.3883 -32.3883 -13.8589 -13.8589 -13.7834 -13.7834 -13.7479 -13.7479 -13.5301 -13.5301 -13.4494 -13.4494 -13.4472 -13.4472 -13.3488 -13.3488 -13.2931 -13.2931 -13.1607 -13.1607 -4.1838 -4.1838 -1.0793 -1.0793 4.8884 4.8884 5.6470 5.6470 6.5087 6.5087 6.5376 6.5376 6.7300 6.7300 6.7389 6.7389 9.6254 9.6254 10.0895 10.0895 10.1337 10.1337 11.0739 11.0739 k = 0.5000 0.5000-0.0000 ( 3724 PWs) bands (ev): -32.4241 -32.4241 -32.4237 -32.4237 -32.4237 -32.4237 -13.8684 -13.8684 -13.8472 -13.8472 -13.7820 -13.7820 -13.5198 -13.5198 -13.5145 -13.5145 -13.4592 -13.4592 -13.3168 -13.3168 -13.2928 -13.2928 -13.0840 -13.0840 -3.7737 -3.7737 -0.9388 -0.9388 4.6924 4.6924 4.6955 4.6955 6.2274 6.2274 6.2339 6.2339 6.3808 6.3808 6.4668 6.4668 10.5146 10.5146 10.8466 10.8466 10.8498 10.8498 11.2081 11.2096 k = 0.5000 0.5000 0.0147 ( 3724 PWs) bands (ev): -32.4241 -32.4241 -32.4237 -32.4237 -32.4237 -32.4237 -13.8685 -13.8685 -13.8476 -13.8476 -13.7824 -13.7824 -13.5208 -13.5208 -13.5144 -13.5144 -13.4582 -13.4582 -13.3175 -13.3175 -13.2915 -13.2915 -13.0839 -13.0839 -3.7729 -3.7729 -0.9388 -0.9388 4.6931 4.6931 4.6962 4.6962 6.2268 6.2268 6.2333 6.2333 6.3798 6.3798 6.4631 6.4631 10.5147 10.5147 10.8460 10.8460 10.8493 10.8493 11.2082 11.2089 k = 0.5000 0.5000 0.0294 ( 3744 PWs) bands (ev): -32.4241 -32.4241 -32.4237 -32.4237 -32.4237 -32.4237 -13.8686 -13.8686 -13.8490 -13.8490 -13.7835 -13.7835 -13.5236 -13.5236 -13.5140 -13.5140 -13.4554 -13.4554 -13.3193 -13.3193 -13.2880 -13.2880 -13.0839 -13.0839 -3.7706 -3.7706 -0.9389 -0.9389 4.6951 4.6951 4.6982 4.6982 6.2249 6.2249 6.2315 6.2315 6.3768 6.3768 6.4521 6.4521 10.5150 10.5150 10.8441 10.8441 10.8474 10.8474 11.2089 11.2103 k = 0.5000 0.5000 0.0441 ( 3752 PWs) bands (ev): -32.4241 -32.4241 -32.4237 -32.4237 -32.4237 -32.4237 -13.8688 -13.8688 -13.8512 -13.8512 -13.7854 -13.7854 -13.5276 -13.5276 -13.5133 -13.5133 -13.4513 -13.4513 -13.3215 -13.3215 -13.2829 -13.2829 -13.0839 -13.0839 -3.7667 -3.7667 -0.9391 -0.9391 4.6983 4.6983 4.7014 4.7014 6.2219 6.2219 6.2285 6.2285 6.3719 6.3719 6.4340 6.4340 10.5153 10.5153 10.8410 10.8410 10.8443 10.8443 11.2103 11.2113 k = 0.5000 0.5000 0.0588 ( 3744 PWs) bands (ev): -32.4241 -32.4241 -32.4237 -32.4237 -32.4237 -32.4237 -13.8690 -13.8690 -13.8542 -13.8542 -13.7879 -13.7879 -13.5326 -13.5326 -13.5123 -13.5123 -13.4461 -13.4461 -13.3236 -13.3236 -13.2766 -13.2766 -13.0838 -13.0838 -3.7613 -3.7613 -0.9394 -0.9394 4.7029 4.7029 4.7060 4.7060 6.2177 6.2177 6.2243 6.2243 6.3652 6.3652 6.4090 6.4090 10.5154 10.5154 10.8364 10.8364 10.8398 10.8398 11.2122 11.2151 k = 0.5000 0.5000 0.0735 ( 3748 PWs) bands (ev): -32.4241 -32.4241 -32.4237 -32.4237 -32.4237 -32.4237 -13.8693 -13.8693 -13.8580 -13.8580 -13.7909 -13.7909 -13.5381 -13.5381 -13.5111 -13.5111 -13.4404 -13.4404 -13.3255 -13.3255 -13.2696 -13.2696 -13.0837 -13.0837 -3.7544 -3.7544 -0.9398 -0.9398 4.7086 4.7086 4.7118 4.7118 6.2123 6.2123 6.2190 6.2190 6.3567 6.3567 6.3775 6.3775 10.5150 10.5150 10.8302 10.8302 10.8337 10.8337 11.2150 11.2167 k = 0.5000 0.5000 0.0882 ( 3748 PWs) bands (ev): -32.4241 -32.4241 -32.4236 -32.4236 -32.4236 -32.4236 -13.8697 -13.8697 -13.8627 -13.8627 -13.7945 -13.7945 -13.5440 -13.5440 -13.5096 -13.5096 -13.4342 -13.4342 -13.3271 -13.3271 -13.2619 -13.2619 -13.0836 -13.0836 -3.7461 -3.7461 -0.9402 -0.9402 4.7156 4.7156 4.7188 4.7188 6.2059 6.2059 6.2127 6.2127 6.3400 6.3400 6.3466 6.3466 10.5138 10.5138 10.8221 10.8221 10.8257 10.8257 11.2186 11.2253 k = 0.5000 0.5000 0.1029 ( 3756 PWs) bands (ev): -32.4241 -32.4241 -32.4236 -32.4236 -32.4236 -32.4236 -13.8701 -13.8701 -13.8681 -13.8681 -13.7985 -13.7985 -13.5501 -13.5501 -13.5079 -13.5079 -13.4278 -13.4278 -13.3285 -13.3285 -13.2537 -13.2537 -13.0835 -13.0835 -3.7365 -3.7365 -0.9407 -0.9407 4.7238 4.7238 4.7270 4.7270 6.1985 6.1985 6.2053 6.2053 6.2970 6.2970 6.3348 6.3348 10.5114 10.5114 10.8119 10.8119 10.8157 10.8157 11.2241 11.2266 k = 0.5000 0.5000 0.1176 ( 3740 PWs) bands (ev): -32.4240 -32.4240 -32.4236 -32.4236 -32.4236 -32.4236 -13.8742 -13.8742 -13.8706 -13.8706 -13.8028 -13.8028 -13.5562 -13.5562 -13.5060 -13.5060 -13.4212 -13.4212 -13.3295 -13.3295 -13.2449 -13.2449 -13.0833 -13.0833 -3.7255 -3.7255 -0.9413 -0.9413 4.7331 4.7331 4.7363 4.7363 6.1903 6.1903 6.1967 6.1967 6.2494 6.2494 6.3218 6.3218 10.5075 10.5075 10.7995 10.7995 10.8034 10.8034 11.2295 11.2337 k = 0.5000 0.5000 0.1324 ( 3748 PWs) bands (ev): -32.4240 -32.4240 -32.4236 -32.4236 -32.4236 -32.4236 -13.8809 -13.8809 -13.8712 -13.8712 -13.8073 -13.8073 -13.5624 -13.5624 -13.5039 -13.5039 -13.4147 -13.4147 -13.3303 -13.3303 -13.2359 -13.2359 -13.0831 -13.0831 -3.7133 -3.7133 -0.9419 -0.9419 4.7433 4.7433 4.7466 4.7466 6.1812 6.1812 6.1843 6.1843 6.2004 6.2004 6.3074 6.3074 10.5020 10.5020 10.7846 10.7846 10.7886 10.7886 11.2348 11.2403 k = 0.5000 0.5000 0.1471 ( 3756 PWs) bands (ev): -32.4240 -32.4240 -32.4236 -32.4236 -32.4236 -32.4236 -13.8883 -13.8883 -13.8718 -13.8718 -13.8121 -13.8121 -13.5685 -13.5685 -13.5018 -13.5018 -13.4081 -13.4081 -13.3308 -13.3308 -13.2267 -13.2267 -13.0829 -13.0829 -3.7000 -3.7000 -0.9426 -0.9426 4.7546 4.7546 4.7578 4.7578 6.1382 6.1382 6.1713 6.1713 6.1806 6.1806 6.2920 6.2920 10.4947 10.4947 10.7672 10.7672 10.7713 10.7713 11.2430 11.2475 k = 0.5000 0.5000 0.1618 ( 3748 PWs) bands (ev): -32.4239 -32.4239 -32.4236 -32.4236 -32.4236 -32.4236 -13.8960 -13.8960 -13.8724 -13.8724 -13.8169 -13.8169 -13.5745 -13.5745 -13.4994 -13.4994 -13.4017 -13.4017 -13.3310 -13.3310 -13.2173 -13.2173 -13.0827 -13.0827 -3.6856 -3.6856 -0.9433 -0.9433 4.7667 4.7667 4.7700 4.7700 6.0795 6.0795 6.1609 6.1609 6.1697 6.1697 6.2757 6.2757 10.4855 10.4855 10.7471 10.7471 10.7514 10.7514 11.2511 11.2557 k = 0.5000 0.5000 0.1765 ( 3748 PWs) bands (ev): -32.4239 -32.4239 -32.4236 -32.4236 -32.4236 -32.4236 -13.9042 -13.9042 -13.8731 -13.8731 -13.8217 -13.8217 -13.5803 -13.5803 -13.4970 -13.4970 -13.3953 -13.3953 -13.3311 -13.3311 -13.2078 -13.2078 -13.0825 -13.0825 -3.6703 -3.6703 -0.9441 -0.9441 4.7796 4.7796 4.7830 4.7830 6.0178 6.0178 6.1500 6.1500 6.1588 6.1588 6.2587 6.2587 10.4744 10.4744 10.7245 10.7245 10.7289 10.7289 11.2618 11.2652 k = 0.5000 0.5000 0.1912 ( 3756 PWs) bands (ev): -32.4239 -32.4239 -32.4236 -32.4236 -32.4236 -32.4236 -13.9127 -13.9127 -13.8739 -13.8739 -13.8266 -13.8266 -13.5860 -13.5860 -13.4946 -13.4946 -13.3891 -13.3891 -13.3309 -13.3309 -13.1983 -13.1983 -13.0823 -13.0823 -3.6542 -3.6542 -0.9449 -0.9449 4.7932 4.7932 4.7966 4.7966 5.9540 5.9540 6.1387 6.1387 6.1477 6.1477 6.2411 6.2411 10.4615 10.4615 10.6994 10.6994 10.7039 10.7039 11.2712 11.2723 k = 0.5000 0.5000 0.2059 ( 3748 PWs) bands (ev): -32.4238 -32.4238 -32.4235 -32.4235 -32.4235 -32.4235 -13.9214 -13.9214 -13.8747 -13.8747 -13.8314 -13.8314 -13.5914 -13.5914 -13.4921 -13.4921 -13.3829 -13.3829 -13.3306 -13.3306 -13.1888 -13.1888 -13.0820 -13.0820 -3.6373 -3.6373 -0.9458 -0.9458 4.8074 4.8074 4.8108 4.8108 5.8889 5.8889 6.1272 6.1272 6.1364 6.1364 6.2231 6.2231 10.4469 10.4469 10.6720 10.6720 10.6766 10.6766 11.2829 11.2873 k = 0.5000 0.5000 0.2206 ( 3756 PWs) bands (ev): -32.4238 -32.4238 -32.4235 -32.4235 -32.4235 -32.4235 -13.9303 -13.9303 -13.8756 -13.8756 -13.8362 -13.8362 -13.5967 -13.5967 -13.4897 -13.4897 -13.3771 -13.3771 -13.3302 -13.3302 -13.1795 -13.1795 -13.0818 -13.0818 -3.6200 -3.6200 -0.9466 -0.9466 4.8220 4.8220 4.8255 4.8255 5.8230 5.8230 6.1154 6.1154 6.1250 6.1250 6.2050 6.2050 10.4310 10.4310 10.6426 10.6426 10.6472 10.6472 11.2960 11.3010 k = 0.5000 0.5000 0.2353 ( 3772 PWs) bands (ev): -32.4238 -32.4238 -32.4235 -32.4235 -32.4235 -32.4235 -13.9392 -13.9392 -13.8765 -13.8765 -13.8410 -13.8410 -13.6018 -13.6018 -13.4873 -13.4873 -13.3714 -13.3714 -13.3296 -13.3296 -13.1703 -13.1703 -13.0815 -13.0815 -3.6022 -3.6022 -0.9475 -0.9475 4.8370 4.8370 4.8406 4.8406 5.7570 5.7570 6.1036 6.1036 6.1135 6.1135 6.1867 6.1867 10.4139 10.4139 10.6114 10.6114 10.6161 10.6161 11.3082 11.3128 k = 0.5000 0.5000 0.2500 ( 3772 PWs) bands (ev): -32.4237 -32.4237 -32.4235 -32.4235 -32.4235 -32.4235 -13.9481 -13.9481 -13.8774 -13.8774 -13.8455 -13.8455 -13.6066 -13.6066 -13.4849 -13.4849 -13.3659 -13.3659 -13.3290 -13.3290 -13.1613 -13.1613 -13.0812 -13.0812 -3.5841 -3.5841 -0.9484 -0.9484 4.8522 4.8522 4.8559 4.8559 5.6913 5.6913 6.0919 6.0919 6.1021 6.1021 6.1686 6.1686 10.3959 10.3959 10.5789 10.5789 10.5836 10.5836 11.3220 11.3244 k = 0.5000 0.5000 0.2647 ( 3768 PWs) bands (ev): -32.4237 -32.4237 -32.4235 -32.4235 -32.4235 -32.4235 -13.9568 -13.9568 -13.8783 -13.8783 -13.8500 -13.8500 -13.6111 -13.6111 -13.4826 -13.4826 -13.3607 -13.3607 -13.3282 -13.3282 -13.1526 -13.1526 -13.0810 -13.0810 -3.5659 -3.5659 -0.9493 -0.9493 4.8675 4.8675 4.8713 4.8713 5.6264 5.6264 6.0803 6.0803 6.0909 6.0909 6.1508 6.1508 10.3774 10.3774 10.5453 10.5453 10.5502 10.5502 11.3353 11.3353 k = 0.5000 0.5000 0.2794 ( 3768 PWs) bands (ev): -32.4237 -32.4237 -32.4235 -32.4235 -32.4235 -32.4235 -13.9653 -13.9653 -13.8792 -13.8792 -13.8542 -13.8542 -13.6154 -13.6154 -13.4804 -13.4804 -13.3557 -13.3557 -13.3274 -13.3274 -13.1443 -13.1443 -13.0807 -13.0807 -3.5477 -3.5477 -0.9502 -0.9502 4.8828 4.8828 4.8867 4.8867 5.5630 5.5630 6.0690 6.0690 6.0800 6.0800 6.1333 6.1333 10.3585 10.3585 10.5112 10.5112 10.5161 10.5161 11.3235 11.3235 k = 0.5000 0.5000 0.2941 ( 3768 PWs) bands (ev): -32.4236 -32.4236 -32.4234 -32.4234 -32.4234 -32.4234 -13.9735 -13.9735 -13.8801 -13.8801 -13.8583 -13.8583 -13.6194 -13.6194 -13.4782 -13.4782 -13.3510 -13.3510 -13.3265 -13.3265 -13.1362 -13.1362 -13.0804 -13.0804 -3.5297 -3.5297 -0.9511 -0.9511 4.8979 4.8979 4.9018 4.9018 5.5013 5.5013 6.0580 6.0580 6.0694 6.0694 6.1165 6.1165 10.3397 10.3397 10.4769 10.4769 10.4819 10.4819 11.3105 11.3106 k = 0.5000 0.5000 0.3088 ( 3760 PWs) bands (ev): -32.4236 -32.4236 -32.4234 -32.4234 -32.4234 -32.4234 -13.9814 -13.9814 -13.8810 -13.8810 -13.8621 -13.8621 -13.6232 -13.6232 -13.4762 -13.4762 -13.3465 -13.3465 -13.3256 -13.3256 -13.1286 -13.1286 -13.0801 -13.0801 -3.5121 -3.5121 -0.9519 -0.9519 4.9127 4.9127 4.9167 4.9167 5.4420 5.4420 6.0475 6.0475 6.0593 6.0593 6.1003 6.1003 10.3210 10.3210 10.4429 10.4429 10.4478 10.4478 11.2975 11.2975 k = 0.5000 0.5000 0.3235 ( 3760 PWs) bands (ev): -32.4235 -32.4235 -32.4234 -32.4234 -32.4234 -32.4234 -13.9890 -13.9890 -13.8819 -13.8819 -13.8658 -13.8658 -13.6266 -13.6266 -13.4743 -13.4743 -13.3424 -13.3424 -13.3246 -13.3246 -13.1214 -13.1214 -13.0798 -13.0798 -3.4949 -3.4949 -0.9528 -0.9528 4.9271 4.9271 4.9312 4.9312 5.3853 5.3853 6.0374 6.0374 6.0497 6.0497 6.0848 6.0848 10.3028 10.3028 10.4095 10.4095 10.4145 10.4145 11.2847 11.2847 k = 0.5000 0.5000 0.3382 ( 3760 PWs) bands (ev): -32.4235 -32.4235 -32.4234 -32.4234 -32.4234 -32.4234 -13.9961 -13.9961 -13.8828 -13.8828 -13.8692 -13.8692 -13.6298 -13.6298 -13.4726 -13.4726 -13.3385 -13.3385 -13.3237 -13.3237 -13.1147 -13.1147 -13.0796 -13.0796 -3.4784 -3.4784 -0.9535 -0.9535 4.9408 4.9408 4.9451 4.9451 5.3316 5.3316 6.0279 6.0279 6.0407 6.0407 6.0703 6.0703 10.2853 10.2853 10.3771 10.3771 10.3821 10.3821 11.2722 11.2722 k = 0.5000 0.5000 0.3529 ( 3760 PWs) bands (ev): -32.4235 -32.4235 -32.4234 -32.4234 -32.4234 -32.4234 -14.0027 -14.0027 -13.8836 -13.8836 -13.8724 -13.8724 -13.6327 -13.6327 -13.4710 -13.4710 -13.3350 -13.3350 -13.3229 -13.3229 -13.1085 -13.1085 -13.0793 -13.0793 -3.4628 -3.4628 -0.9543 -0.9543 4.9539 4.9539 4.9583 4.9583 5.2814 5.2814 6.0190 6.0190 6.0324 6.0324 6.0569 6.0569 10.2687 10.2687 10.3462 10.3462 10.3512 10.3512 11.2604 11.2604 k = 0.5000 0.5000 0.3676 ( 3768 PWs) bands (ev): -32.4234 -32.4234 -32.4234 -32.4234 -32.4234 -32.4234 -14.0089 -14.0089 -13.8844 -13.8844 -13.8753 -13.8753 -13.6353 -13.6353 -13.4696 -13.4696 -13.3318 -13.3318 -13.3220 -13.3220 -13.1029 -13.1029 -13.0791 -13.0791 -3.4481 -3.4481 -0.9550 -0.9550 4.9661 4.9661 4.9706 4.9706 5.2349 5.2349 6.0108 6.0108 6.0247 6.0247 6.0445 6.0445 10.2531 10.2531 10.3170 10.3170 10.3221 10.3221 11.2492 11.2492 k = 0.5000 0.5000 0.3824 ( 3772 PWs) bands (ev): -32.4234 -32.4234 -32.4233 -32.4233 -32.4233 -32.4233 -14.0144 -14.0144 -13.8852 -13.8852 -13.8780 -13.8780 -13.6377 -13.6377 -13.4683 -13.4683 -13.3289 -13.3289 -13.3212 -13.3212 -13.0978 -13.0978 -13.0789 -13.0789 -3.4345 -3.4345 -0.9556 -0.9556 4.9774 4.9774 4.9820 4.9820 5.1924 5.1924 6.0032 6.0032 6.0178 6.0178 6.0333 6.0333 10.2388 10.2388 10.2900 10.2900 10.2950 10.2950 11.2390 11.2390 k = 0.5000 0.5000 0.3971 ( 3780 PWs) bands (ev): -32.4234 -32.4234 -32.4233 -32.4233 -32.4233 -32.4233 -14.0195 -14.0195 -13.8858 -13.8858 -13.8803 -13.8803 -13.6398 -13.6398 -13.4672 -13.4672 -13.3264 -13.3264 -13.3205 -13.3205 -13.0932 -13.0932 -13.0787 -13.0787 -3.4221 -3.4221 -0.9562 -0.9562 4.9876 4.9876 4.9923 4.9923 5.1543 5.1543 5.9964 5.9964 6.0116 6.0116 6.0233 6.0233 10.2258 10.2258 10.2655 10.2655 10.2704 10.2704 11.2297 11.2297 k = 0.5000 0.5000 0.4118 ( 3772 PWs) bands (ev): -32.4234 -32.4234 -32.4233 -32.4233 -32.4233 -32.4233 -14.0238 -14.0238 -13.8864 -13.8864 -13.8823 -13.8823 -13.6415 -13.6415 -13.4662 -13.4662 -13.3241 -13.3241 -13.3198 -13.3198 -13.0892 -13.0892 -13.0785 -13.0785 -3.4112 -3.4112 -0.9567 -0.9567 4.9966 4.9966 5.0015 5.0015 5.1208 5.1208 5.9903 5.9903 6.0063 6.0063 6.0147 6.0147 10.2143 10.2143 10.2437 10.2437 10.2485 10.2485 11.2214 11.2214 k = 0.5000 0.5000 0.4265 ( 3768 PWs) bands (ev): -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -14.0275 -14.0275 -13.8869 -13.8869 -13.8841 -13.8841 -13.6430 -13.6430 -13.4653 -13.4653 -13.3222 -13.3222 -13.3192 -13.3192 -13.0858 -13.0858 -13.0783 -13.0783 -3.4017 -3.4017 -0.9571 -0.9571 5.0044 5.0044 5.0094 5.0094 5.0921 5.0921 5.9850 5.9850 6.0017 6.0017 6.0075 6.0075 10.2043 10.2043 10.2249 10.2249 10.2296 10.2296 11.2143 11.2143 k = 0.5000 0.5000 0.4412 ( 3776 PWs) bands (ev): -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -14.0306 -14.0306 -13.8874 -13.8874 -13.8855 -13.8855 -13.6443 -13.6443 -13.4646 -13.4646 -13.3207 -13.3207 -13.3188 -13.3188 -13.0830 -13.0830 -13.0782 -13.0782 -3.3938 -3.3938 -0.9575 -0.9575 5.0109 5.0109 5.0160 5.0160 5.0684 5.0684 5.9806 5.9806 5.9979 5.9979 6.0016 6.0016 10.1957 10.1957 10.2095 10.2095 10.2138 10.2138 11.2085 11.2085 k = 0.5000 0.5000 0.4559 ( 3776 PWs) bands (ev): -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -14.0331 -14.0331 -13.8877 -13.8877 -13.8867 -13.8867 -13.6452 -13.6452 -13.4641 -13.4641 -13.3195 -13.3195 -13.3184 -13.3184 -13.0808 -13.0808 -13.0781 -13.0781 -3.3875 -3.3875 -0.9578 -0.9578 5.0158 5.0158 5.0211 5.0211 5.0499 5.0499 5.9771 5.9771 5.9950 5.9950 5.9970 5.9970 10.1884 10.1884 10.1979 10.1979 10.2013 10.2013 11.2038 11.2038 k = 0.5000 0.5000 0.4706 ( 3808 PWs) bands (ev): -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -14.0349 -14.0349 -13.8880 -13.8880 -13.8876 -13.8876 -13.6460 -13.6460 -13.4638 -13.4638 -13.3187 -13.3187 -13.3182 -13.3182 -13.0793 -13.0793 -13.0781 -13.0781 -3.3831 -3.3831 -0.9580 -0.9580 5.0191 5.0191 5.0249 5.0249 5.0368 5.0368 5.9745 5.9745 5.9929 5.9929 5.9938 5.9938 10.1823 10.1823 10.1903 10.1903 10.1922 10.1922 11.2004 11.2004 k = 0.5000 0.5000 0.4853 ( 3840 PWs) bands (ev): -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -14.0360 -14.0360 -13.8883 -13.8883 -13.8882 -13.8882 -13.6465 -13.6465 -13.4637 -13.4637 -13.3182 -13.3182 -13.3181 -13.3181 -13.0785 -13.0785 -13.0782 -13.0782 -3.3803 -3.3803 -0.9581 -0.9581 5.0204 5.0204 5.0271 5.0271 5.0297 5.0297 5.9729 5.9729 5.9917 5.9917 5.9919 5.9919 10.1781 10.1781 10.1862 10.1862 10.1867 10.1867 11.1984 11.1984 k = 0.5000 0.5000 0.5000 ( 3840 PWs) bands (ev): -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -32.4233 -14.0364 -14.0364 -13.8883 -13.8883 -13.8883 -13.8883 -13.6466 -13.6466 -13.4636 -13.4636 -13.3180 -13.3180 -13.3180 -13.3180 -13.0782 -13.0782 -13.0782 -13.0782 -3.3794 -3.3794 -0.9582 -0.9582 5.0203 5.0203 5.0279 5.0279 5.0279 5.0279 5.9724 5.9724 5.9913 5.9913 5.9913 5.9913 10.1766 10.1766 10.1849 10.1849 10.1849 10.1849 11.1977 11.1977 Writing output data file Ca3PN.save init_run : 0.27s CPU 0.59s WALL ( 1 calls) electrons : 258.05s CPU 263.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 258.04s CPU 263.05s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 260 calls) cegterg : 248.52s CPU 252.20s WALL ( 1035 calls) Called by sum_band: Called by *egterg: h_psi : 109.16s CPU 111.85s WALL ( 19763 calls) s_psi : 7.76s CPU 7.91s WALL ( 19763 calls) g_psi : 0.26s CPU 0.30s WALL ( 18468 calls) cdiaghg : 115.57s CPU 116.54s WALL ( 18728 calls) cegterg:over : 7.36s CPU 7.50s WALL ( 18468 calls) cegterg:upda : 7.77s CPU 7.69s WALL ( 18468 calls) cegterg:last : 2.96s CPU 2.96s WALL ( 1920 calls) cdiaghg:chol : 5.94s CPU 6.27s WALL ( 18728 calls) cdiaghg:inve : 4.08s CPU 4.21s WALL ( 18728 calls) cdiaghg:para : 6.46s CPU 6.46s WALL ( 37456 calls) Called by h_psi: h_psi:vloc : 91.80s CPU 94.18s WALL ( 19763 calls) h_psi:vnl : 17.02s CPU 17.41s WALL ( 19763 calls) add_vuspsi : 8.76s CPU 8.99s WALL ( 19763 calls) General routines calbec : 8.22s CPU 8.36s WALL ( 19763 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 85.46s CPU 87.78s WALL ( 1111812 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.14s WALL ( 520 calls) Parallel routines fft_scatter : 31.71s CPU 32.56s WALL ( 1111835 calls) PWSCF : 4m29.90s CPU 5m 2.21s WALL This run was terminated on: 16:38:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=