Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:56:22 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: ./Sc3GaC.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 32 9 2277 810 131 Max 64 33 10 2281 827 136 Sum 2285 1153 349 82057 29423 4801 bravais-lattice index = 14 lattice parameter (alat) = 8.4439 a.u. unit-cell volume = 602.0374 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.443863 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 Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 Sc 11.00 44.95590 Sc( 1.00) C 4.00 12.01070 C( 1.00) Ga 13.00 69.72300 Ga( 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= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0036364 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0036364 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0036364 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0036364 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0036364 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0036364 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0036364 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0036364 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0036364 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0036364 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0036364 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0036364 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0036364 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0036364 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0036364 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0036364 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0036364 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0036364 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0036364 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0036364 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0036364 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0036364 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0036364 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0036364 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0036364 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0036364 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0036364 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0036364 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0036364 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0036364 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0036364 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0036364 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0036364 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0036364 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0036364 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0036364 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0036364 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0036364 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0036364 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0036364 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0036364 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0036364 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0036364 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0036364 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0036364 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0036364 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0036364 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0036364 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0036364 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0036364 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0036364 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0036364 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0036364 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0036364 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0036364 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0036364 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0036364 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0036364 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036364 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0036364 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0036364 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0036364 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0036364 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0036364 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0036364 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0036364 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0036364 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0036364 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0036364 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0036364 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 76) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0036364 k( 77) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0036364 k( 78) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0036364 k( 79) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0036364 k( 80) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0036364 k( 81) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0036364 k( 82) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0036364 k( 83) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0036364 k( 84) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0036364 k( 85) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0036364 k( 86) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0036364 k( 87) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0036364 k( 88) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0036364 k( 89) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0036364 k( 90) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0036364 k( 91) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0036364 k( 92) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0036364 k( 93) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0036364 k( 94) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0036364 k( 95) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036364 k( 96) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0036364 k( 97) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0036364 k( 98) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0036364 k( 99) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0036364 k( 100) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036364 k( 101) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0036364 k( 102) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0036364 k( 103) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0036364 k( 104) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0036364 k( 105) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036364 k( 106) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0036364 k( 107) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0036364 k( 108) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0036364 k( 109) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0036364 k( 110) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0036364 k( 111) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0036364 k( 112) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0036364 k( 113) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0036364 k( 114) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0036364 k( 115) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0036364 k( 116) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0036364 k( 117) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0036364 k( 118) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0036364 k( 119) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0036364 k( 120) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0036364 k( 121) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0036364 k( 122) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0036364 k( 123) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0036364 k( 124) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 127) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036364 k( 128) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036364 k( 129) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036364 k( 130) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036364 k( 131) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036364 k( 132) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036364 k( 133) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036364 k( 134) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036364 k( 135) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036364 k( 136) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036364 k( 137) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036364 k( 138) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036364 k( 139) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036364 k( 140) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036364 k( 141) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036364 k( 142) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036364 k( 143) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036364 k( 144) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036364 k( 145) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036364 k( 146) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036364 k( 147) = ( 0.1721312 0.1721311 0.1721311), wk = 0.0036364 k( 148) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036364 k( 149) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036364 k( 150) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036364 k( 151) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036364 k( 152) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036364 k( 153) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036364 k( 154) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036364 k( 155) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036364 k( 156) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036364 k( 157) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036364 k( 158) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036364 k( 159) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036364 k( 160) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036364 k( 161) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036364 k( 162) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036364 k( 163) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036364 k( 164) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036364 k( 165) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036364 k( 166) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036364 k( 167) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036364 k( 168) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036364 k( 169) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036364 k( 170) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036364 k( 171) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036364 k( 172) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036364 k( 173) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036364 k( 174) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036364 k( 175) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036364 k( 176) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036364 k( 177) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036364 k( 178) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036364 k( 179) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036364 k( 180) = ( 0.4426230 0.4426229 0.4426229), wk = 0.0036364 k( 181) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036364 k( 182) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036364 k( 183) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036364 k( 184) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036364 k( 185) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036364 k( 186) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036364 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 189) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036364 k( 190) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036364 k( 191) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036364 k( 192) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036364 k( 193) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036364 k( 194) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036364 k( 195) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036364 k( 196) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036364 k( 197) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036364 k( 198) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036364 k( 199) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036364 k( 200) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036364 k( 201) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036364 k( 202) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036364 k( 203) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036364 k( 204) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036364 k( 205) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036364 k( 206) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036364 k( 207) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036364 k( 208) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036364 k( 209) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036364 k( 210) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036364 k( 211) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036364 k( 212) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036364 k( 213) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036364 k( 214) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036364 k( 215) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036364 k( 216) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036364 k( 217) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036364 k( 218) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036364 k( 219) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036364 k( 220) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036364 k( 221) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036364 k( 222) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036364 k( 223) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036364 k( 224) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036364 k( 225) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036364 k( 226) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036364 k( 227) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036364 k( 228) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036364 k( 229) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036364 k( 230) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036364 k( 231) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036364 k( 232) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036364 k( 233) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036364 k( 234) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036364 k( 235) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036364 k( 236) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036364 k( 237) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036364 k( 238) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036364 k( 260) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036364 k( 261) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036364 k( 262) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036364 k( 263) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036364 k( 264) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036364 k( 265) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036364 k( 266) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036364 k( 267) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036364 k( 268) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036364 k( 269) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036364 k( 270) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036364 k( 271) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036364 k( 272) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036364 k( 273) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036364 k( 274) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036364 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0036364 k( 3) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0036364 k( 4) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0036364 k( 5) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0036364 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0036364 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0036364 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0036364 k( 9) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0036364 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0036364 k( 11) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0036364 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0036364 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0036364 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0036364 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0036364 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0036364 k( 17) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0036364 k( 18) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0036364 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0036364 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0036364 k( 21) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0036364 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0036364 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0036364 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0036364 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0036364 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0036364 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0036364 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0036364 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0036364 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0036364 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0036364 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0036364 k( 33) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0036364 k( 34) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0036364 k( 35) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0036364 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0036364 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0036364 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0036364 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0036364 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0036364 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0036364 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0036364 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0036364 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0036364 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0036364 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0036364 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0036364 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0036364 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0036364 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0036364 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0036364 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0036364 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0036364 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0036364 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0036364 k( 58) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0036364 k( 59) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0036364 k( 60) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0036364 k( 61) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0036364 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036364 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0036364 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0036364 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0036364 k( 66) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0036364 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0036364 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0036364 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0036364 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0036364 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0036364 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0036364 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0036364 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 76) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0036364 k( 77) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0036364 k( 78) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0036364 k( 79) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0036364 k( 80) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0036364 k( 81) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0036364 k( 82) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0036364 k( 83) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0036364 k( 84) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0036364 k( 85) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0036364 k( 86) = ( 0.3900000 0.3900000 0.0000000), wk = 0.0036364 k( 87) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0036364 k( 88) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0036364 k( 89) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0036364 k( 90) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0036364 k( 91) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0036364 k( 92) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0036364 k( 93) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0036364 k( 94) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0036364 k( 95) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0036364 k( 96) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0036364 k( 97) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0036364 k( 98) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0036364 k( 99) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0036364 k( 100) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036364 k( 101) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0036364 k( 102) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0036364 k( 103) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0036364 k( 104) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0036364 k( 105) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0036364 k( 106) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0036364 k( 107) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0036364 k( 108) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0036364 k( 109) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0036364 k( 110) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0036364 k( 111) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0036364 k( 112) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0036364 k( 113) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0036364 k( 114) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0036364 k( 115) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0036364 k( 116) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0036364 k( 117) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0036364 k( 118) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0036364 k( 119) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0036364 k( 120) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0036364 k( 121) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0036364 k( 122) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0036364 k( 123) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0036364 k( 124) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 127) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036364 k( 128) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036364 k( 129) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036364 k( 130) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036364 k( 131) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036364 k( 132) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036364 k( 133) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036364 k( 134) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036364 k( 135) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036364 k( 136) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036364 k( 137) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036364 k( 138) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036364 k( 139) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036364 k( 140) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036364 k( 141) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036364 k( 142) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036364 k( 143) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036364 k( 144) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036364 k( 145) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036364 k( 146) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036364 k( 147) = ( 0.1721312 0.1721312 0.1721312), wk = 0.0036364 k( 148) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036364 k( 149) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036364 k( 150) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036364 k( 151) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036364 k( 152) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036364 k( 153) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036364 k( 154) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036364 k( 155) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036364 k( 156) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036364 k( 157) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036364 k( 158) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036364 k( 159) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036364 k( 160) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036364 k( 161) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036364 k( 162) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036364 k( 163) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036364 k( 164) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036364 k( 165) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036364 k( 166) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036364 k( 167) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036364 k( 168) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036364 k( 169) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036364 k( 170) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036364 k( 171) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036364 k( 172) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036364 k( 173) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036364 k( 174) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036364 k( 175) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036364 k( 176) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036364 k( 177) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036364 k( 178) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036364 k( 179) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036364 k( 180) = ( 0.4426230 0.4426230 0.4426230), wk = 0.0036364 k( 181) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036364 k( 182) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036364 k( 183) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036364 k( 184) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036364 k( 185) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036364 k( 186) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036364 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 189) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036364 k( 190) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036364 k( 191) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036364 k( 192) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036364 k( 193) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036364 k( 194) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036364 k( 195) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036364 k( 196) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036364 k( 197) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036364 k( 198) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036364 k( 199) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036364 k( 200) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036364 k( 201) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036364 k( 202) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036364 k( 203) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036364 k( 204) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036364 k( 205) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036364 k( 206) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036364 k( 207) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036364 k( 208) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036364 k( 209) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036364 k( 210) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036364 k( 211) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036364 k( 212) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036364 k( 213) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036364 k( 214) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036364 k( 215) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036364 k( 216) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036364 k( 217) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036364 k( 218) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036364 k( 219) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036364 k( 220) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036364 k( 221) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036364 k( 222) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036364 k( 223) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036364 k( 224) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036364 k( 225) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036364 k( 226) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036364 k( 227) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036364 k( 228) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036364 k( 229) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036364 k( 230) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036364 k( 231) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036364 k( 232) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036364 k( 233) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036364 k( 234) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036364 k( 235) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036364 k( 236) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036364 k( 237) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036364 k( 238) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036364 k( 260) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036364 k( 261) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036364 k( 262) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036364 k( 263) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036364 k( 264) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036364 k( 265) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036364 k( 266) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036364 k( 267) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036364 k( 268) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036364 k( 269) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036364 k( 270) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036364 k( 271) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036364 k( 272) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036364 k( 273) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036364 k( 274) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036364 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 Dense grid: 82057 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 29423 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 216, 60) NL pseudopotentials 0.25 Mb ( 108, 150) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2279) G-vector shells 0.00 Mb ( 486) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 216, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.27 Mb ( 150, 2, 60) Check: negative/imaginary core charge= -0.000010 0.000000 The potential is recalculated from file : ./Sc3GaC.save/charge-density.dat Starting wfc are 86 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 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.7 secs Computing kpt #: 6 total cpu time spent up to now is 8.5 secs Computing kpt #: 7 total cpu time spent up to now is 9.4 secs Computing kpt #: 8 total cpu time spent up to now is 10.2 secs Computing kpt #: 9 total cpu time spent up to now is 11.0 secs Computing kpt #: 10 total cpu time spent up to now is 11.7 secs Computing kpt #: 11 total cpu time spent up to now is 12.4 secs Computing kpt #: 12 total cpu time spent up to now is 13.1 secs Computing kpt #: 13 total cpu time spent up to now is 13.8 secs Computing kpt #: 14 total cpu time spent up to now is 14.7 secs Computing kpt #: 15 total cpu time spent up to now is 15.5 secs Computing kpt #: 16 total cpu time spent up to now is 16.1 secs Computing kpt #: 17 total cpu time spent up to now is 17.1 secs Computing kpt #: 18 total cpu time spent up to now is 18.0 secs Computing kpt #: 19 total cpu time spent up to now is 19.0 secs Computing kpt #: 20 total cpu time spent up to now is 20.6 secs Computing kpt #: 21 total cpu time spent up to now is 21.6 secs Computing kpt #: 22 total cpu time spent up to now is 22.7 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.3 secs Computing kpt #: 24 total cpu time spent up to now is 25.8 secs Computing kpt #: 25 total cpu time spent up to now is 27.3 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 29.0 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 30.7 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 32.3 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 34.0 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.6 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 37.2 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 39.2 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 40.9 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.6 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.2 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.8 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 47.5 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 49.1 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.8 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.5 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.2 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.9 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.6 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.3 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.0 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.7 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 64.5 secs Computing kpt #: 48 total cpu time spent up to now is 65.4 secs Computing kpt #: 49 total cpu time spent up to now is 66.5 secs Computing kpt #: 50 total cpu time spent up to now is 67.2 secs Computing kpt #: 51 total cpu time spent up to now is 68.0 secs Computing kpt #: 52 total cpu time spent up to now is 68.8 secs Computing kpt #: 53 total cpu time spent up to now is 69.6 secs Computing kpt #: 54 total cpu time spent up to now is 70.4 secs Computing kpt #: 55 total cpu time spent up to now is 71.3 secs Computing kpt #: 56 total cpu time spent up to now is 72.1 secs Computing kpt #: 57 total cpu time spent up to now is 73.0 secs Computing kpt #: 58 total cpu time spent up to now is 73.9 secs Computing kpt #: 59 total cpu time spent up to now is 74.8 secs Computing kpt #: 60 total cpu time spent up to now is 75.7 secs Computing kpt #: 61 total cpu time spent up to now is 76.7 secs Computing kpt #: 62 total cpu time spent up to now is 77.6 secs Computing kpt #: 63 total cpu time spent up to now is 78.6 secs Computing kpt #: 64 total cpu time spent up to now is 79.6 secs Computing kpt #: 65 total cpu time spent up to now is 80.7 secs Computing kpt #: 66 total cpu time spent up to now is 81.8 secs Computing kpt #: 67 total cpu time spent up to now is 82.8 secs Computing kpt #: 68 total cpu time spent up to now is 83.7 secs Computing kpt #: 69 total cpu time spent up to now is 84.7 secs Computing kpt #: 70 total cpu time spent up to now is 85.6 secs Computing kpt #: 71 total cpu time spent up to now is 86.6 secs Computing kpt #: 72 total cpu time spent up to now is 87.2 secs Computing kpt #: 73 total cpu time spent up to now is 87.7 secs Computing kpt #: 74 total cpu time spent up to now is 88.5 secs Computing kpt #: 75 total cpu time spent up to now is 89.0 secs Computing kpt #: 76 total cpu time spent up to now is 89.6 secs Computing kpt #: 77 total cpu time spent up to now is 90.2 secs Computing kpt #: 78 total cpu time spent up to now is 90.8 secs Computing kpt #: 79 total cpu time spent up to now is 91.4 secs Computing kpt #: 80 total cpu time spent up to now is 92.1 secs Computing kpt #: 81 total cpu time spent up to now is 92.9 secs Computing kpt #: 82 total cpu time spent up to now is 93.6 secs Computing kpt #: 83 total cpu time spent up to now is 94.5 secs Computing kpt #: 84 total cpu time spent up to now is 95.5 secs Computing kpt #: 85 total cpu time spent up to now is 96.8 secs Computing kpt #: 86 total cpu time spent up to now is 98.4 secs Computing kpt #: 87 total cpu time spent up to now is 100.1 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.8 secs Computing kpt #: 89 total cpu time spent up to now is 103.5 secs Computing kpt #: 90 total cpu time spent up to now is 104.9 secs Computing kpt #: 91 total cpu time spent up to now is 106.0 secs Computing kpt #: 92 total cpu time spent up to now is 106.9 secs Computing kpt #: 93 total cpu time spent up to now is 107.8 secs Computing kpt #: 94 total cpu time spent up to now is 108.7 secs Computing kpt #: 95 total cpu time spent up to now is 109.4 secs Computing kpt #: 96 total cpu time spent up to now is 110.2 secs Computing kpt #: 97 total cpu time spent up to now is 110.9 secs Computing kpt #: 98 total cpu time spent up to now is 111.6 secs Computing kpt #: 99 total cpu time spent up to now is 112.3 secs Computing kpt #: 100 total cpu time spent up to now is 112.9 secs Computing kpt #: 101 total cpu time spent up to now is 113.6 secs Computing kpt #: 102 total cpu time spent up to now is 114.2 secs Computing kpt #: 103 total cpu time spent up to now is 114.9 secs Computing kpt #: 104 total cpu time spent up to now is 115.6 secs Computing kpt #: 105 total cpu time spent up to now is 116.2 secs Computing kpt #: 106 total cpu time spent up to now is 116.7 secs Computing kpt #: 107 total cpu time spent up to now is 117.3 secs Computing kpt #: 108 total cpu time spent up to now is 118.0 secs Computing kpt #: 109 total cpu time spent up to now is 118.6 secs Computing kpt #: 110 total cpu time spent up to now is 119.3 secs Computing kpt #: 111 total cpu time spent up to now is 119.9 secs Computing kpt #: 112 total cpu time spent up to now is 120.5 secs Computing kpt #: 113 total cpu time spent up to now is 121.2 secs Computing kpt #: 114 total cpu time spent up to now is 121.9 secs Computing kpt #: 115 total cpu time spent up to now is 122.6 secs Computing kpt #: 116 total cpu time spent up to now is 123.3 secs Computing kpt #: 117 total cpu time spent up to now is 124.0 secs Computing kpt #: 118 total cpu time spent up to now is 124.8 secs Computing kpt #: 119 total cpu time spent up to now is 125.6 secs Computing kpt #: 120 total cpu time spent up to now is 126.4 secs Computing kpt #: 121 total cpu time spent up to now is 127.3 secs Computing kpt #: 122 total cpu time spent up to now is 128.2 secs Computing kpt #: 123 total cpu time spent up to now is 129.1 secs Computing kpt #: 124 total cpu time spent up to now is 130.1 secs Computing kpt #: 125 total cpu time spent up to now is 131.1 secs Computing kpt #: 126 total cpu time spent up to now is 132.0 secs Computing kpt #: 127 total cpu time spent up to now is 133.0 secs Computing kpt #: 128 total cpu time spent up to now is 134.0 secs Computing kpt #: 129 total cpu time spent up to now is 134.9 secs Computing kpt #: 130 total cpu time spent up to now is 135.8 secs Computing kpt #: 131 total cpu time spent up to now is 136.7 secs Computing kpt #: 132 total cpu time spent up to now is 137.5 secs Computing kpt #: 133 total cpu time spent up to now is 138.4 secs Computing kpt #: 134 total cpu time spent up to now is 139.2 secs Computing kpt #: 135 total cpu time spent up to now is 140.1 secs Computing kpt #: 136 total cpu time spent up to now is 140.9 secs Computing kpt #: 137 total cpu time spent up to now is 141.7 secs Computing kpt #: 138 total cpu time spent up to now is 142.5 secs Computing kpt #: 139 total cpu time spent up to now is 143.3 secs Computing kpt #: 140 total cpu time spent up to now is 144.1 secs Computing kpt #: 141 total cpu time spent up to now is 144.9 secs Computing kpt #: 142 total cpu time spent up to now is 145.7 secs Computing kpt #: 143 total cpu time spent up to now is 146.5 secs Computing kpt #: 144 total cpu time spent up to now is 147.3 secs Computing kpt #: 145 total cpu time spent up to now is 148.1 secs Computing kpt #: 146 total cpu time spent up to now is 148.9 secs Computing kpt #: 147 total cpu time spent up to now is 149.8 secs Computing kpt #: 148 total cpu time spent up to now is 150.6 secs Computing kpt #: 149 total cpu time spent up to now is 151.4 secs Computing kpt #: 150 total cpu time spent up to now is 152.2 secs Computing kpt #: 151 total cpu time spent up to now is 153.1 secs Computing kpt #: 152 total cpu time spent up to now is 153.9 secs Computing kpt #: 153 total cpu time spent up to now is 154.7 secs Computing kpt #: 154 total cpu time spent up to now is 155.5 secs Computing kpt #: 155 total cpu time spent up to now is 156.3 secs Computing kpt #: 156 total cpu time spent up to now is 156.9 secs Computing kpt #: 157 total cpu time spent up to now is 157.6 secs Computing kpt #: 158 total cpu time spent up to now is 158.2 secs Computing kpt #: 159 total cpu time spent up to now is 158.9 secs Computing kpt #: 160 total cpu time spent up to now is 159.8 secs Computing kpt #: 161 total cpu time spent up to now is 160.7 secs Computing kpt #: 162 total cpu time spent up to now is 161.7 secs Computing kpt #: 163 total cpu time spent up to now is 162.8 secs Computing kpt #: 164 total cpu time spent up to now is 163.8 secs Computing kpt #: 165 total cpu time spent up to now is 164.8 secs Computing kpt #: 166 total cpu time spent up to now is 165.8 secs Computing kpt #: 167 total cpu time spent up to now is 166.9 secs Computing kpt #: 168 total cpu time spent up to now is 168.0 secs Computing kpt #: 169 total cpu time spent up to now is 169.0 secs Computing kpt #: 170 total cpu time spent up to now is 170.0 secs Computing kpt #: 171 total cpu time spent up to now is 171.0 secs Computing kpt #: 172 total cpu time spent up to now is 172.1 secs Computing kpt #: 173 total cpu time spent up to now is 173.1 secs Computing kpt #: 174 total cpu time spent up to now is 174.2 secs Computing kpt #: 175 total cpu time spent up to now is 175.2 secs Computing kpt #: 176 total cpu time spent up to now is 176.2 secs Computing kpt #: 177 total cpu time spent up to now is 177.2 secs Computing kpt #: 178 total cpu time spent up to now is 178.2 secs Computing kpt #: 179 total cpu time spent up to now is 179.1 secs Computing kpt #: 180 total cpu time spent up to now is 179.9 secs Computing kpt #: 181 total cpu time spent up to now is 180.9 secs Computing kpt #: 182 total cpu time spent up to now is 182.0 secs Computing kpt #: 183 total cpu time spent up to now is 183.5 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 185.2 secs Computing kpt #: 185 total cpu time spent up to now is 186.8 secs Computing kpt #: 186 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 188.6 secs Computing kpt #: 187 total cpu time spent up to now is 189.3 secs Computing kpt #: 188 total cpu time spent up to now is 190.0 secs Computing kpt #: 189 total cpu time spent up to now is 191.2 secs Computing kpt #: 190 total cpu time spent up to now is 192.2 secs Computing kpt #: 191 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 194.0 secs Computing kpt #: 192 total cpu time spent up to now is 194.9 secs Computing kpt #: 193 total cpu time spent up to now is 196.3 secs Computing kpt #: 194 total cpu time spent up to now is 196.9 secs Computing kpt #: 195 total cpu time spent up to now is 197.6 secs Computing kpt #: 196 total cpu time spent up to now is 198.4 secs Computing kpt #: 197 total cpu time spent up to now is 199.3 secs Computing kpt #: 198 total cpu time spent up to now is 200.1 secs Computing kpt #: 199 total cpu time spent up to now is 201.0 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 203.0 secs Computing kpt #: 202 total cpu time spent up to now is 203.9 secs Computing kpt #: 203 total cpu time spent up to now is 204.9 secs Computing kpt #: 204 total cpu time spent up to now is 205.8 secs Computing kpt #: 205 total cpu time spent up to now is 206.8 secs Computing kpt #: 206 total cpu time spent up to now is 207.7 secs Computing kpt #: 207 total cpu time spent up to now is 208.5 secs Computing kpt #: 208 total cpu time spent up to now is 209.4 secs Computing kpt #: 209 total cpu time spent up to now is 210.2 secs Computing kpt #: 210 total cpu time spent up to now is 211.1 secs Computing kpt #: 211 total cpu time spent up to now is 211.9 secs Computing kpt #: 212 total cpu time spent up to now is 212.8 secs Computing kpt #: 213 total cpu time spent up to now is 213.6 secs Computing kpt #: 214 total cpu time spent up to now is 214.4 secs Computing kpt #: 215 total cpu time spent up to now is 215.2 secs Computing kpt #: 216 total cpu time spent up to now is 216.0 secs Computing kpt #: 217 total cpu time spent up to now is 216.7 secs Computing kpt #: 218 total cpu time spent up to now is 217.5 secs Computing kpt #: 219 total cpu time spent up to now is 218.3 secs Computing kpt #: 220 total cpu time spent up to now is 219.1 secs Computing kpt #: 221 total cpu time spent up to now is 219.8 secs Computing kpt #: 222 total cpu time spent up to now is 220.6 secs Computing kpt #: 223 total cpu time spent up to now is 221.4 secs Computing kpt #: 224 total cpu time spent up to now is 222.1 secs Computing kpt #: 225 total cpu time spent up to now is 222.7 secs Computing kpt #: 226 total cpu time spent up to now is 223.4 secs Computing kpt #: 227 total cpu time spent up to now is 224.3 secs Computing kpt #: 228 total cpu time spent up to now is 225.4 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 227.1 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.8 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 230.5 secs Computing kpt #: 232 total cpu time spent up to now is 232.0 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.6 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.3 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 237.0 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.7 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.3 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 241.9 secs Computing kpt #: 239 total cpu time spent up to now is 242.5 secs Computing kpt #: 240 total cpu time spent up to now is 243.0 secs Computing kpt #: 241 total cpu time spent up to now is 243.6 secs Computing kpt #: 242 total cpu time spent up to now is 244.1 secs Computing kpt #: 243 total cpu time spent up to now is 244.7 secs Computing kpt #: 244 total cpu time spent up to now is 245.4 secs Computing kpt #: 245 total cpu time spent up to now is 246.0 secs Computing kpt #: 246 total cpu time spent up to now is 246.6 secs Computing kpt #: 247 total cpu time spent up to now is 247.3 secs Computing kpt #: 248 total cpu time spent up to now is 248.0 secs Computing kpt #: 249 total cpu time spent up to now is 248.8 secs Computing kpt #: 250 total cpu time spent up to now is 249.5 secs Computing kpt #: 251 total cpu time spent up to now is 250.2 secs Computing kpt #: 252 total cpu time spent up to now is 250.9 secs Computing kpt #: 253 total cpu time spent up to now is 251.8 secs Computing kpt #: 254 total cpu time spent up to now is 252.7 secs Computing kpt #: 255 total cpu time spent up to now is 253.6 secs Computing kpt #: 256 total cpu time spent up to now is 254.7 secs Computing kpt #: 257 total cpu time spent up to now is 255.6 secs Computing kpt #: 258 total cpu time spent up to now is 256.6 secs Computing kpt #: 259 total cpu time spent up to now is 257.6 secs Computing kpt #: 260 total cpu time spent up to now is 258.5 secs Computing kpt #: 261 total cpu time spent up to now is 259.4 secs Computing kpt #: 262 total cpu time spent up to now is 260.4 secs Computing kpt #: 263 total cpu time spent up to now is 261.4 secs Computing kpt #: 264 total cpu time spent up to now is 262.4 secs Computing kpt #: 265 total cpu time spent up to now is 263.4 secs Computing kpt #: 266 total cpu time spent up to now is 264.3 secs Computing kpt #: 267 total cpu time spent up to now is 265.3 secs Computing kpt #: 268 total cpu time spent up to now is 266.3 secs Computing kpt #: 269 total cpu time spent up to now is 267.2 secs Computing kpt #: 270 total cpu time spent up to now is 268.2 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.9 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.6 secs Computing kpt #: 273 total cpu time spent up to now is 273.2 secs Computing kpt #: 274 total cpu time spent up to now is 274.0 secs Computing kpt #: 275 total cpu time spent up to now is 274.7 secs ethr = 2.00E-08, avg # of iterations = 52.9 total cpu time spent up to now is 274.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -38.8218 -38.8218 -38.7277 -38.7277 -38.7277 -38.7277 -17.8571 -17.8571 -17.8571 -17.8571 -17.6683 -17.6683 -17.3446 -17.3446 -17.3434 -17.3434 -17.3434 -17.3434 -17.2533 -17.2533 -17.0532 -17.0532 -17.0532 -17.0532 -3.6684 -3.6684 -3.6684 -3.6684 -3.2088 -3.2088 -3.2088 -3.2088 -3.2086 -3.2086 -0.0571 -0.0571 3.8304 3.8304 9.2415 9.2415 9.2415 9.2415 9.2563 9.2563 9.9353 9.9353 9.9353 9.9353 10.2844 10.2844 10.2844 10.2844 10.2848 10.2848 12.5519 12.5519 12.6844 12.6844 12.6844 12.6844 k = 0.0000 0.0139-0.0000 ( 3743 PWs) bands (ev): -38.8217 -38.8217 -38.7278 -38.7278 -38.7277 -38.7277 -17.8571 -17.8571 -17.8570 -17.8570 -17.6683 -17.6683 -17.3446 -17.3446 -17.3434 -17.3434 -17.3434 -17.3434 -17.2533 -17.2533 -17.0533 -17.0533 -17.0532 -17.0532 -3.6684 -3.6684 -3.6684 -3.6684 -3.2088 -3.2088 -3.2088 -3.2088 -3.2086 -3.2086 -0.0560 -0.0560 3.8313 3.8313 9.2350 9.2350 9.2406 9.2406 9.2536 9.2536 9.9368 9.9368 9.9383 9.9383 10.2834 10.2834 10.2838 10.2838 10.2851 10.2851 12.5459 12.5459 12.6732 12.6732 12.6808 12.6808 k = 0.0000 0.0278-0.0000 ( 3743 PWs) bands (ev): -38.8216 -38.8216 -38.7279 -38.7279 -38.7277 -38.7277 -17.8570 -17.8570 -17.8567 -17.8567 -17.6684 -17.6684 -17.3446 -17.3446 -17.3433 -17.3433 -17.3432 -17.3432 -17.2534 -17.2534 -17.0539 -17.0539 -17.0534 -17.0534 -3.6684 -3.6684 -3.6684 -3.6684 -3.2088 -3.2088 -3.2087 -3.2087 -3.2086 -3.2086 -0.0527 -0.0527 3.8341 3.8341 9.2124 9.2124 9.2378 9.2378 9.2491 9.2491 9.9413 9.9413 9.9464 9.9464 10.2803 10.2803 10.2812 10.2812 10.2869 10.2869 12.5258 12.5258 12.6449 12.6449 12.6710 12.6710 k = 0.0000 0.0417-0.0000 ( 3743 PWs) bands (ev): -38.8214 -38.8214 -38.7281 -38.7281 -38.7277 -38.7277 -17.8569 -17.8569 -17.8561 -17.8561 -17.6685 -17.6685 -17.3448 -17.3448 -17.3431 -17.3431 -17.3430 -17.3430 -17.2535 -17.2535 -17.0548 -17.0548 -17.0538 -17.0538 -3.6684 -3.6684 -3.6683 -3.6683 -3.2088 -3.2088 -3.2087 -3.2087 -3.2086 -3.2086 -0.0472 -0.0472 3.8388 3.8388 9.1744 9.1744 9.2331 9.2331 9.2439 9.2439 9.9488 9.9488 9.9577 9.9577 10.2752 10.2752 10.2768 10.2768 10.2897 10.2897 12.4853 12.4853 12.6132 12.6132 12.6575 12.6575 k = 0.0000 0.0556-0.0000 ( 3743 PWs) bands (ev): -38.8211 -38.8211 -38.7284 -38.7284 -38.7277 -38.7277 -17.8567 -17.8567 -17.8553 -17.8553 -17.6686 -17.6686 -17.3451 -17.3451 -17.3427 -17.3427 -17.3425 -17.3425 -17.2537 -17.2537 -17.0560 -17.0560 -17.0542 -17.0542 -3.6683 -3.6683 -3.6682 -3.6682 -3.2087 -3.2087 -3.2086 -3.2086 -3.2085 -3.2085 -0.0395 -0.0395 3.8452 3.8452 9.1242 9.1242 9.2267 9.2267 9.2374 9.2374 9.9593 9.9593 9.9697 9.9697 10.2681 10.2681 10.2708 10.2708 10.2938 10.2938 12.4224 12.4224 12.5887 12.5887 12.6425 12.6425 k = 0.0000 0.0694-0.0000 ( 3743 PWs) bands (ev): -38.8208 -38.8208 -38.7287 -38.7287 -38.7277 -38.7277 -17.8564 -17.8564 -17.8543 -17.8543 -17.6688 -17.6688 -17.3457 -17.3457 -17.3423 -17.3423 -17.3418 -17.3418 -17.2540 -17.2540 -17.0575 -17.0575 -17.0548 -17.0548 -3.6683 -3.6683 -3.6681 -3.6681 -3.2087 -3.2087 -3.2085 -3.2085 -3.2084 -3.2084 -0.0297 -0.0297 3.8535 3.8535 9.0643 9.0643 9.2186 9.2186 9.2295 9.2295 9.9726 9.9726 9.9801 9.9801 10.2591 10.2591 10.2631 10.2631 10.2989 10.2989 12.3445 12.3445 12.5716 12.5716 12.6281 12.6281 k = 0.0000 0.0833-0.0000 ( 3743 PWs) bands (ev): -38.8203 -38.8203 -38.7292 -38.7292 -38.7277 -38.7277 -17.8561 -17.8561 -17.8531 -17.8531 -17.6690 -17.6690 -17.3464 -17.3464 -17.3418 -17.3418 -17.3408 -17.3408 -17.2543 -17.2543 -17.0595 -17.0595 -17.0555 -17.0555 -3.6683 -3.6683 -3.6680 -3.6680 -3.2086 -3.2086 -3.2085 -3.2085 -3.2082 -3.2082 -0.0179 -0.0179 3.8634 3.8634 8.9967 8.9967 9.2089 9.2089 9.2200 9.2200 9.9864 9.9864 9.9890 9.9890 10.2483 10.2483 10.2537 10.2537 10.3052 10.3052 12.2600 12.2600 12.5596 12.5596 12.6154 12.6154 k = 0.0000 0.0972-0.0000 ( 3751 PWs) bands (ev): -38.8198 -38.8198 -38.7297 -38.7297 -38.7277 -38.7277 -17.8558 -17.8558 -17.8517 -17.8517 -17.6693 -17.6693 -17.3472 -17.3472 -17.3412 -17.3412 -17.3397 -17.3397 -17.2546 -17.2546 -17.0617 -17.0617 -17.0563 -17.0563 -3.6682 -3.6682 -3.6679 -3.6679 -3.2086 -3.2086 -3.2084 -3.2084 -3.2080 -3.2080 -0.0040 -0.0040 3.8751 3.8751 8.9233 8.9233 9.1978 9.1978 9.2092 9.2092 9.9866 9.9866 10.0081 10.0081 10.2357 10.2357 10.2428 10.2428 10.3125 10.3125 12.1748 12.1748 12.5516 12.5516 12.6053 12.6053 k = 0.0000 0.1111-0.0000 ( 3759 PWs) bands (ev): -38.8192 -38.8192 -38.7303 -38.7303 -38.7277 -38.7277 -17.8554 -17.8554 -17.8500 -17.8500 -17.6697 -17.6697 -17.3481 -17.3481 -17.3406 -17.3406 -17.3383 -17.3383 -17.2551 -17.2551 -17.0644 -17.0644 -17.0572 -17.0572 -3.6682 -3.6682 -3.6678 -3.6678 -3.2085 -3.2085 -3.2084 -3.2084 -3.2079 -3.2079 0.0119 0.0119 3.8883 3.8883 8.8454 8.8454 9.1853 9.1853 9.1972 9.1972 9.9792 9.9792 10.0301 10.0301 10.2215 10.2215 10.2304 10.2304 10.3208 10.3208 12.0928 12.0928 12.5470 12.5470 12.5981 12.5981 k = 0.0000 0.1250-0.0000 ( 3755 PWs) bands (ev): -38.8186 -38.8186 -38.7309 -38.7309 -38.7277 -38.7277 -17.8550 -17.8550 -17.8481 -17.8481 -17.6701 -17.6701 -17.3491 -17.3491 -17.3398 -17.3398 -17.3368 -17.3368 -17.2555 -17.2555 -17.0673 -17.0673 -17.0583 -17.0583 -3.6681 -3.6681 -3.6675 -3.6675 -3.2085 -3.2085 -3.2083 -3.2083 -3.2076 -3.2076 0.0296 0.0296 3.9031 3.9031 8.7641 8.7641 9.1718 9.1718 9.1840 9.1840 9.9628 9.9628 10.0549 10.0549 10.2059 10.2059 10.2167 10.2167 10.3303 10.3303 12.0169 12.0169 12.5459 12.5459 12.5942 12.5942 k = 0.0000 0.1389-0.0000 ( 3755 PWs) bands (ev): -38.8179 -38.8179 -38.7316 -38.7316 -38.7277 -38.7277 -17.8545 -17.8545 -17.8460 -17.8460 -17.6706 -17.6706 -17.3503 -17.3503 -17.3389 -17.3389 -17.3350 -17.3350 -17.2560 -17.2560 -17.0705 -17.0705 -17.0594 -17.0594 -3.6680 -3.6680 -3.6673 -3.6673 -3.2084 -3.2084 -3.2082 -3.2082 -3.2073 -3.2073 0.0492 0.0492 3.9193 3.9193 8.6807 8.6807 9.1571 9.1571 9.1698 9.1698 9.9362 9.9362 10.0824 10.0824 10.1890 10.1890 10.2017 10.2017 10.3407 10.3407 11.9491 11.9491 12.5480 12.5480 12.5936 12.5936 k = 0.0000 0.1528-0.0000 ( 3747 PWs) bands (ev): -38.8171 -38.8171 -38.7324 -38.7324 -38.7277 -38.7277 -17.8540 -17.8540 -17.8437 -17.8437 -17.6712 -17.6712 -17.3515 -17.3515 -17.3380 -17.3380 -17.3330 -17.3330 -17.2566 -17.2566 -17.0741 -17.0741 -17.0606 -17.0606 -3.6679 -3.6679 -3.6671 -3.6671 -3.2083 -3.2083 -3.2080 -3.2080 -3.2069 -3.2069 0.0704 0.0704 3.9368 3.9368 8.5958 8.5958 9.1417 9.1417 9.1548 9.1548 9.8990 9.8990 10.1125 10.1125 10.1710 10.1710 10.1857 10.1857 10.3520 10.3520 11.8909 11.8909 12.5533 12.5533 12.5962 12.5962 k = 0.0000 0.1667-0.0000 ( 3755 PWs) bands (ev): -38.8162 -38.8162 -38.7333 -38.7333 -38.7277 -38.7277 -17.8534 -17.8534 -17.8413 -17.8413 -17.6718 -17.6718 -17.3528 -17.3528 -17.3369 -17.3369 -17.3309 -17.3309 -17.2572 -17.2572 -17.0779 -17.0779 -17.0619 -17.0619 -3.6679 -3.6679 -3.6669 -3.6669 -3.2083 -3.2083 -3.2080 -3.2080 -3.2066 -3.2066 0.0932 0.0932 3.9555 3.9555 8.5102 8.5102 9.1255 9.1255 9.1391 9.1391 9.8510 9.8510 10.1451 10.1451 10.1519 10.1519 10.1686 10.1686 10.3641 10.3641 11.8431 11.8431 12.5616 12.5616 12.6020 12.6020 k = 0.0000 0.1806-0.0000 ( 3743 PWs) bands (ev): -38.8153 -38.8153 -38.7342 -38.7342 -38.7277 -38.7277 -17.8528 -17.8528 -17.8386 -17.8386 -17.6726 -17.6726 -17.3541 -17.3541 -17.3358 -17.3358 -17.3285 -17.3285 -17.2579 -17.2579 -17.0820 -17.0820 -17.0632 -17.0632 -3.6677 -3.6677 -3.6666 -3.6666 -3.2082 -3.2082 -3.2078 -3.2078 -3.2062 -3.2062 0.1176 0.1176 3.9753 3.9753 8.4249 8.4249 9.1089 9.1089 9.1229 9.1229 9.7925 9.7925 10.1321 10.1321 10.1508 10.1508 10.1803 10.1803 10.3772 10.3772 11.8061 11.8061 12.5727 12.5727 12.6107 12.6107 k = 0.0000 0.1944-0.0000 ( 3731 PWs) bands (ev): -38.8143 -38.8143 -38.7352 -38.7352 -38.7277 -38.7277 -17.8522 -17.8522 -17.8358 -17.8358 -17.6734 -17.6734 -17.3555 -17.3555 -17.3345 -17.3345 -17.3259 -17.3259 -17.2586 -17.2586 -17.0864 -17.0864 -17.0646 -17.0646 -3.6676 -3.6676 -3.6662 -3.6662 -3.2081 -3.2081 -3.2076 -3.2076 -3.2058 -3.2058 0.1432 0.1432 3.9960 3.9960 8.3403 8.3403 9.0918 9.0918 9.1063 9.1063 9.7242 9.7242 10.1117 10.1117 10.1323 10.1323 10.2177 10.2177 10.3910 10.3910 11.7794 11.7794 12.5863 12.5863 12.6221 12.6221 k = 0.0000 0.2083-0.0000 ( 3715 PWs) bands (ev): -38.8132 -38.8132 -38.7362 -38.7362 -38.7277 -38.7277 -17.8515 -17.8515 -17.8328 -17.8328 -17.6744 -17.6744 -17.3569 -17.3569 -17.3331 -17.3331 -17.3232 -17.3232 -17.2594 -17.2594 -17.0910 -17.0910 -17.0661 -17.0661 -3.6675 -3.6675 -3.6659 -3.6659 -3.2079 -3.2079 -3.2073 -3.2073 -3.2054 -3.2054 0.1700 0.1700 4.0174 4.0174 8.2572 8.2572 9.0746 9.0746 9.0895 9.0895 9.6471 9.6471 10.0910 10.0910 10.1134 10.1134 10.2574 10.2574 10.4056 10.4056 11.7625 11.7625 12.6023 12.6023 12.6361 12.6361 k = 0.0000 0.2222-0.0000 ( 3707 PWs) bands (ev): -38.8121 -38.8121 -38.7373 -38.7373 -38.7277 -38.7277 -17.8508 -17.8508 -17.8296 -17.8296 -17.6755 -17.6755 -17.3584 -17.3584 -17.3318 -17.3318 -17.3202 -17.3202 -17.2602 -17.2602 -17.0959 -17.0959 -17.0676 -17.0676 -3.6673 -3.6673 -3.6656 -3.6656 -3.2078 -3.2078 -3.2071 -3.2071 -3.2050 -3.2050 0.1978 0.1978 4.0394 4.0394 8.1762 8.1762 9.0572 9.0572 9.0726 9.0726 9.5624 9.5624 10.0698 10.0698 10.0941 10.0941 10.2990 10.2990 10.4207 10.4207 11.7545 11.7545 12.6204 12.6204 12.6523 12.6523 k = 0.0000 0.2361-0.0000 ( 3707 PWs) bands (ev): -38.8110 -38.8110 -38.7385 -38.7385 -38.7276 -38.7276 -17.8502 -17.8502 -17.8263 -17.8263 -17.6767 -17.6767 -17.3599 -17.3599 -17.3303 -17.3303 -17.3170 -17.3170 -17.2612 -17.2612 -17.1010 -17.1010 -17.0692 -17.0692 -3.6672 -3.6672 -3.6653 -3.6653 -3.2077 -3.2077 -3.2070 -3.2070 -3.2046 -3.2046 0.2263 0.2263 4.0617 4.0617 8.0979 8.0979 9.0399 9.0399 9.0556 9.0556 9.4716 9.4716 10.0486 10.0486 10.0745 10.0745 10.3426 10.3426 10.4364 10.4364 11.7543 11.7543 12.6402 12.6402 12.6704 12.6704 k = 0.0000 0.2500-0.0000 ( 3719 PWs) bands (ev): -38.8098 -38.8098 -38.7397 -38.7397 -38.7276 -38.7276 -17.8496 -17.8496 -17.8228 -17.8228 -17.6781 -17.6781 -17.3615 -17.3615 -17.3288 -17.3288 -17.3136 -17.3136 -17.2622 -17.2622 -17.1064 -17.1064 -17.0708 -17.0708 -3.6672 -3.6672 -3.6651 -3.6651 -3.2077 -3.2077 -3.2069 -3.2069 -3.2043 -3.2043 0.2556 0.2556 4.0842 4.0842 8.0229 8.0229 9.0227 9.0227 9.0388 9.0388 9.3759 9.3759 10.0275 10.0275 10.0550 10.0550 10.3878 10.3878 10.4525 10.4525 11.7609 11.7609 12.6614 12.6614 12.6899 12.6899 k = 0.0000 0.2639-0.0000 ( 3703 PWs) bands (ev): -38.8085 -38.8085 -38.7409 -38.7409 -38.7276 -38.7276 -17.8489 -17.8489 -17.8192 -17.8192 -17.6796 -17.6796 -17.3630 -17.3630 -17.3271 -17.3271 -17.3100 -17.3100 -17.2632 -17.2632 -17.1119 -17.1119 -17.0724 -17.0724 -3.6670 -3.6670 -3.6648 -3.6648 -3.2075 -3.2075 -3.2067 -3.2067 -3.2038 -3.2038 0.2852 0.2852 4.1067 4.1067 7.9518 7.9518 9.0058 9.0058 9.0223 9.0223 9.2766 9.2766 10.0067 10.0067 10.0357 10.0357 10.4345 10.4345 10.4693 10.4693 11.7734 11.7734 12.6839 12.6839 12.7089 12.7089 k = 0.0000 0.2778-0.0000 ( 3707 PWs) bands (ev): -38.8072 -38.8072 -38.7422 -38.7422 -38.7276 -38.7276 -17.8482 -17.8482 -17.8156 -17.8156 -17.6812 -17.6812 -17.3645 -17.3645 -17.3254 -17.3254 -17.3063 -17.3063 -17.2644 -17.2644 -17.1176 -17.1176 -17.0740 -17.0740 -3.6669 -3.6669 -3.6646 -3.6646 -3.2075 -3.2075 -3.2065 -3.2065 -3.2035 -3.2035 0.3151 0.3151 4.1289 4.1289 7.8851 7.8851 8.9894 8.9894 9.0062 9.0062 9.1749 9.1749 9.9863 9.9863 10.0167 10.0167 10.4825 10.4825 10.4860 10.4860 11.7905 11.7905 12.6916 12.6916 12.7073 12.7073 k = 0.0000 0.2917-0.0000 ( 3707 PWs) bands (ev): -38.8059 -38.8059 -38.7435 -38.7435 -38.7276 -38.7276 -17.8476 -17.8476 -17.8118 -17.8118 -17.6830 -17.6830 -17.3660 -17.3660 -17.3237 -17.3237 -17.3023 -17.3023 -17.2656 -17.2656 -17.1235 -17.1235 -17.0755 -17.0755 -3.6668 -3.6668 -3.6643 -3.6643 -3.2074 -3.2074 -3.2064 -3.2064 -3.2031 -3.2031 0.3450 0.3450 4.1507 4.1507 7.8233 7.8233 8.9734 8.9734 8.9903 8.9903 9.0719 9.0719 9.9664 9.9664 9.9982 9.9982 10.5028 10.5028 10.5315 10.5315 11.8117 11.8117 12.6647 12.6647 12.7313 12.7313 k = 0.0000 0.3056-0.0000 ( 3703 PWs) bands (ev): -38.8046 -38.8046 -38.7449 -38.7449 -38.7276 -38.7276 -17.8469 -17.8469 -17.8079 -17.8079 -17.6849 -17.6849 -17.3674 -17.3674 -17.3218 -17.3218 -17.2981 -17.2981 -17.2668 -17.2668 -17.1295 -17.1295 -17.0771 -17.0771 -3.6667 -3.6667 -3.6640 -3.6640 -3.2073 -3.2073 -3.2062 -3.2062 -3.2028 -3.2028 0.3747 0.3747 4.1718 4.1718 7.7669 7.7669 8.9581 8.9581 8.9647 8.9647 8.9788 8.9788 9.9473 9.9473 9.9803 9.9803 10.5197 10.5197 10.5811 10.5811 11.8360 11.8360 12.6379 12.6379 12.7556 12.7560 k = 0.0000 0.3194-0.0000 ( 3703 PWs) bands (ev): -38.8032 -38.8032 -38.7462 -38.7462 -38.7276 -38.7276 -17.8463 -17.8463 -17.8040 -17.8040 -17.6869 -17.6869 -17.3688 -17.3688 -17.3200 -17.3200 -17.2937 -17.2937 -17.2682 -17.2682 -17.1357 -17.1357 -17.0786 -17.0786 -3.6666 -3.6666 -3.6638 -3.6638 -3.2072 -3.2072 -3.2061 -3.2061 -3.2024 -3.2024 0.4039 0.4039 4.1920 4.1920 7.7165 7.7165 8.8640 8.8640 8.9434 8.9434 8.9617 8.9617 9.9290 9.9290 9.9631 9.9631 10.5364 10.5364 10.6311 10.6311 11.8627 11.8627 12.6115 12.6115 12.7800 12.7800 k = 0.0000 0.3333-0.0000 ( 3683 PWs) bands (ev): -38.8019 -38.8019 -38.7476 -38.7476 -38.7276 -38.7276 -17.8457 -17.8457 -17.8000 -17.8000 -17.6890 -17.6890 -17.3701 -17.3701 -17.3180 -17.3180 -17.2891 -17.2891 -17.2695 -17.2695 -17.1419 -17.1419 -17.0800 -17.0800 -3.6665 -3.6665 -3.6634 -3.6634 -3.2071 -3.2071 -3.2059 -3.2059 -3.2020 -3.2020 0.4324 0.4324 4.2112 4.2112 7.6723 7.6723 8.7619 8.7619 8.9296 8.9296 8.9480 8.9480 9.9117 9.9117 9.9468 9.9468 10.5528 10.5528 10.6812 10.6812 11.8911 11.8911 12.5858 12.5858 12.8040 12.8041 k = 0.0000 0.3472-0.0000 ( 3707 PWs) bands (ev): -38.8005 -38.8005 -38.7490 -38.7490 -38.7276 -38.7276 -17.8453 -17.8453 -17.7961 -17.7961 -17.6913 -17.6913 -17.3714 -17.3714 -17.3161 -17.3161 -17.2844 -17.2844 -17.2711 -17.2711 -17.1483 -17.1483 -17.0814 -17.0814 -3.6665 -3.6665 -3.6633 -3.6633 -3.2071 -3.2071 -3.2058 -3.2058 -3.2018 -3.2018 0.4599 0.4599 4.2291 4.2291 7.6348 7.6348 8.6611 8.6611 8.9165 8.9165 8.9351 8.9351 9.8952 9.8952 9.9313 9.9313 10.5688 10.5688 10.7306 10.7306 11.9205 11.9205 12.5609 12.5609 12.8276 12.8279 k = 0.0000 0.3611-0.0000 ( 3707 PWs) bands (ev): -38.7991 -38.7991 -38.7503 -38.7503 -38.7276 -38.7276 -17.8447 -17.8447 -17.7921 -17.7921 -17.6937 -17.6937 -17.3726 -17.3726 -17.3141 -17.3141 -17.2794 -17.2794 -17.2726 -17.2726 -17.1548 -17.1548 -17.0827 -17.0827 -3.6664 -3.6664 -3.6631 -3.6631 -3.2070 -3.2070 -3.2057 -3.2057 -3.2015 -3.2015 0.4861 0.4861 4.2456 4.2456 7.6043 7.6043 8.5628 8.5628 8.9044 8.9044 8.9232 8.9232 9.8800 9.8800 9.9169 9.9169 10.5841 10.5841 10.7791 10.7791 11.9504 11.9504 12.5373 12.5373 12.8502 12.8508 k = 0.0000 0.3750-0.0000 ( 3699 PWs) bands (ev): -38.7978 -38.7978 -38.7516 -38.7516 -38.7275 -38.7275 -17.8442 -17.8442 -17.7882 -17.7882 -17.6961 -17.6961 -17.3736 -17.3736 -17.3120 -17.3120 -17.2743 -17.2743 -17.2742 -17.2742 -17.1613 -17.1613 -17.0839 -17.0839 -3.6663 -3.6663 -3.6628 -3.6628 -3.2069 -3.2069 -3.2055 -3.2055 -3.2012 -3.2012 0.5109 0.5109 4.2607 4.2607 7.5809 7.5809 8.4675 8.4675 8.8934 8.8934 8.9124 8.9124 9.8661 9.8661 9.9038 9.9038 10.5987 10.5987 10.8261 10.8261 11.9801 11.9801 12.5150 12.5150 12.8717 12.8718 k = 0.0000 0.3889-0.0000 ( 3703 PWs) bands (ev): -38.7965 -38.7965 -38.7529 -38.7529 -38.7275 -38.7275 -17.8438 -17.8438 -17.7844 -17.7844 -17.6986 -17.6986 -17.3746 -17.3746 -17.3100 -17.3100 -17.2758 -17.2758 -17.2690 -17.2690 -17.1679 -17.1679 -17.0850 -17.0850 -3.6662 -3.6662 -3.6627 -3.6627 -3.2069 -3.2069 -3.2055 -3.2055 -3.2009 -3.2009 0.5339 0.5339 4.2742 4.2742 7.5647 7.5647 8.3758 8.3758 8.8832 8.8832 8.9024 8.9024 9.8534 9.8534 9.8917 9.8917 10.6123 10.6123 10.8710 10.8710 12.0089 12.0089 12.4943 12.4943 12.8919 12.8923 k = 0.0000 0.4028-0.0000 ( 3708 PWs) bands (ev): -38.7953 -38.7953 -38.7542 -38.7542 -38.7275 -38.7275 -17.8434 -17.8434 -17.7807 -17.7807 -17.7012 -17.7012 -17.3755 -17.3755 -17.3079 -17.3079 -17.2775 -17.2775 -17.2636 -17.2636 -17.1746 -17.1746 -17.0861 -17.0861 -3.6662 -3.6662 -3.6626 -3.6626 -3.2068 -3.2068 -3.2054 -3.2054 -3.2007 -3.2007 0.5548 0.5548 4.2860 4.2860 7.5558 7.5558 8.2882 8.2882 8.8742 8.8742 8.8935 8.8935 9.8421 9.8421 9.8809 9.8809 10.6249 10.6249 10.9130 10.9130 12.0364 12.0364 12.4754 12.4754 12.9103 12.9114 k = 0.0000 0.4167-0.0000 ( 3708 PWs) bands (ev): -38.7941 -38.7941 -38.7553 -38.7553 -38.7275 -38.7275 -17.8430 -17.8430 -17.7771 -17.7771 -17.7037 -17.7037 -17.3763 -17.3763 -17.3059 -17.3059 -17.2792 -17.2792 -17.2580 -17.2580 -17.1812 -17.1812 -17.0870 -17.0870 -3.6661 -3.6661 -3.6624 -3.6624 -3.2068 -3.2068 -3.2053 -3.2053 -3.2005 -3.2005 0.5735 0.5735 4.2961 4.2961 7.5539 7.5539 8.2055 8.2055 8.8663 8.8663 8.8858 8.8858 9.8321 9.8321 9.8715 9.8715 10.6361 10.6361 10.9516 10.9516 12.0619 12.0619 12.4586 12.4586 12.9269 12.9274 k = 0.0000 0.4306-0.0000 ( 3708 PWs) bands (ev): -38.7931 -38.7931 -38.7564 -38.7564 -38.7275 -38.7275 -17.8427 -17.8427 -17.7739 -17.7739 -17.7060 -17.7060 -17.3770 -17.3770 -17.3038 -17.3038 -17.2810 -17.2810 -17.2522 -17.2522 -17.1879 -17.1879 -17.0877 -17.0877 -3.6661 -3.6661 -3.6623 -3.6623 -3.2068 -3.2068 -3.2053 -3.2053 -3.2003 -3.2003 0.5898 0.5898 4.3046 4.3046 7.5586 7.5586 8.1286 8.1286 8.8595 8.8595 8.8791 8.8791 9.8236 9.8236 9.8633 9.8633 10.6460 10.6460 10.9859 10.9859 12.0847 12.0847 12.4439 12.4439 12.9414 12.9422 k = 0.0000 0.4444-0.0000 ( 3712 PWs) bands (ev): -38.7921 -38.7921 -38.7573 -38.7573 -38.7275 -38.7275 -17.8425 -17.8425 -17.7710 -17.7710 -17.7082 -17.7082 -17.3776 -17.3776 -17.3018 -17.3018 -17.2827 -17.2827 -17.2463 -17.2463 -17.1945 -17.1945 -17.0884 -17.0884 -3.6661 -3.6661 -3.6622 -3.6622 -3.2068 -3.2068 -3.2052 -3.2052 -3.2002 -3.2002 0.6034 0.6034 4.3115 4.3115 7.5690 7.5690 8.0587 8.0587 8.8540 8.8540 8.8737 8.8737 9.8165 9.8165 9.8566 9.8566 10.6542 10.6542 11.0153 11.0153 12.1044 12.1044 12.4317 12.4317 12.9536 12.9540 k = 0.0000 0.4583-0.0000 ( 3708 PWs) bands (ev): -38.7914 -38.7914 -38.7580 -38.7580 -38.7275 -38.7275 -17.8423 -17.8423 -17.7685 -17.7685 -17.7100 -17.7100 -17.3780 -17.3780 -17.3000 -17.3000 -17.2844 -17.2844 -17.2404 -17.2404 -17.2009 -17.2009 -17.0888 -17.0888 -3.6660 -3.6660 -3.6621 -3.6621 -3.2067 -3.2067 -3.2051 -3.2051 -3.2001 -3.2001 0.6141 0.6141 4.3167 4.3167 7.5837 7.5837 7.9974 7.9974 8.8496 8.8496 8.8694 8.8694 9.8111 9.8111 9.8514 9.8514 10.6609 10.6609 11.0390 11.0390 12.1203 12.1203 12.4220 12.4220 12.9632 12.9634 k = 0.0000 0.4722-0.0000 ( 3708 PWs) bands (ev): -38.7908 -38.7908 -38.7586 -38.7586 -38.7275 -38.7275 -17.8422 -17.8422 -17.7666 -17.7666 -17.7115 -17.7115 -17.3783 -17.3783 -17.2983 -17.2983 -17.2859 -17.2859 -17.2344 -17.2344 -17.2073 -17.2073 -17.0892 -17.0892 -3.6659 -3.6659 -3.6621 -3.6621 -3.2067 -3.2067 -3.2051 -3.2051 -3.2000 -3.2000 0.6219 0.6219 4.3205 4.3205 7.6000 7.6000 7.9477 7.9477 8.8465 8.8465 8.8663 8.8663 9.8071 9.8071 9.8477 9.8477 10.6657 10.6657 11.0565 11.0565 12.1320 12.1320 12.4150 12.4150 12.9702 12.9702 k = 0.0000 0.4861-0.0000 ( 3696 PWs) bands (ev): -38.7905 -38.7905 -38.7589 -38.7589 -38.7275 -38.7275 -17.8421 -17.8421 -17.7654 -17.7654 -17.7124 -17.7124 -17.3785 -17.3785 -17.2971 -17.2971 -17.2871 -17.2871 -17.2287 -17.2287 -17.2132 -17.2132 -17.0894 -17.0894 -3.6659 -3.6659 -3.6620 -3.6620 -3.2066 -3.2066 -3.2051 -3.2051 -3.1999 -3.1999 0.6266 0.6266 4.3227 4.3227 7.6137 7.6137 7.9140 7.9140 8.8447 8.8447 8.8645 8.8645 9.8048 9.8048 9.8454 9.8454 10.6688 10.6688 11.0671 11.0671 12.1392 12.1392 12.4108 12.4108 12.9744 12.9747 k = 0.0000 0.5000-0.0000 ( 3668 PWs) bands (ev): -38.7904 -38.7904 -38.7591 -38.7591 -38.7275 -38.7275 -17.8420 -17.8420 -17.7649 -17.7649 -17.7125 -17.7125 -17.3786 -17.3786 -17.2966 -17.2966 -17.2875 -17.2875 -17.2252 -17.2252 -17.2166 -17.2166 -17.0894 -17.0894 -3.6658 -3.6658 -3.6618 -3.6618 -3.2065 -3.2065 -3.2049 -3.2049 -3.1997 -3.1997 0.6282 0.6282 4.3235 4.3235 7.6192 7.6192 7.9019 7.9019 8.8441 8.8441 8.8640 8.8640 9.8040 9.8040 9.8447 9.8447 10.6698 10.6698 11.0708 11.0708 12.1418 12.1418 12.4094 12.4094 12.9759 12.9763 k = 0.0000 0.5000-0.0000 ( 3668 PWs) bands (ev): -38.7904 -38.7904 -38.7591 -38.7591 -38.7275 -38.7275 -17.8420 -17.8420 -17.7649 -17.7649 -17.7125 -17.7125 -17.3786 -17.3786 -17.2966 -17.2966 -17.2875 -17.2875 -17.2252 -17.2252 -17.2166 -17.2166 -17.0894 -17.0894 -3.6658 -3.6658 -3.6618 -3.6618 -3.2065 -3.2065 -3.2049 -3.2049 -3.1997 -3.1997 0.6282 0.6282 4.3235 4.3235 7.6192 7.6192 7.9019 7.9019 8.8441 8.8441 8.8640 8.8640 9.8040 9.8040 9.8447 9.8447 10.6698 10.6698 11.0708 11.0708 12.1418 12.1418 12.4094 12.4094 12.9759 12.9763 k = 0.0139 0.5000-0.0000 ( 3686 PWs) bands (ev): -38.7903 -38.7903 -38.7591 -38.7591 -38.7275 -38.7275 -17.8420 -17.8420 -17.7651 -17.7651 -17.7127 -17.7127 -17.3786 -17.3786 -17.2975 -17.2975 -17.2866 -17.2866 -17.2261 -17.2261 -17.2158 -17.2158 -17.0894 -17.0894 -3.6659 -3.6659 -3.6619 -3.6619 -3.2066 -3.2066 -3.2050 -3.2050 -3.1998 -3.1998 0.6293 0.6293 4.3244 4.3244 7.6192 7.6192 7.8994 7.8994 8.8422 8.8422 8.8620 8.8620 9.8033 9.8033 9.8439 9.8439 10.6718 10.6718 11.0721 11.0721 12.1419 12.1419 12.4060 12.4060 12.9781 12.9787 k = 0.0278 0.5000-0.0000 ( 3702 PWs) bands (ev): -38.7902 -38.7902 -38.7591 -38.7591 -38.7276 -38.7276 -17.8419 -17.8419 -17.7654 -17.7654 -17.7129 -17.7129 -17.3785 -17.3785 -17.2995 -17.2995 -17.2847 -17.2847 -17.2280 -17.2280 -17.2138 -17.2138 -17.0895 -17.0895 -3.6659 -3.6659 -3.6620 -3.6620 -3.2067 -3.2067 -3.2051 -3.2051 -3.1999 -3.1999 0.6325 0.6325 4.3273 4.3273 7.6191 7.6191 7.8919 7.8919 8.8364 8.8364 8.8564 8.8564 9.8010 9.8010 9.8418 9.8418 10.6782 10.6782 11.0762 11.0762 12.1422 12.1422 12.3960 12.3960 12.9834 12.9839 k = 0.0417 0.5000-0.0000 ( 3706 PWs) bands (ev): -38.7901 -38.7901 -38.7591 -38.7591 -38.7278 -38.7278 -17.8416 -17.8416 -17.7658 -17.7658 -17.7133 -17.7133 -17.3784 -17.3784 -17.3021 -17.3021 -17.2823 -17.2823 -17.2302 -17.2302 -17.2113 -17.2113 -17.0894 -17.0894 -3.6659 -3.6659 -3.6620 -3.6620 -3.2066 -3.2066 -3.2051 -3.2051 -3.1999 -3.1999 0.6379 0.6379 4.3320 4.3320 7.6189 7.6189 7.8796 7.8796 8.8267 8.8267 8.8478 8.8478 9.7967 9.7967 9.8387 9.8387 10.6891 10.6891 11.0830 11.0830 12.1426 12.1426 12.3804 12.3804 12.9901 12.9904 k = 0.0556 0.5000-0.0000 ( 3698 PWs) bands (ev): -38.7899 -38.7899 -38.7590 -38.7590 -38.7280 -38.7280 -17.8413 -17.8413 -17.7664 -17.7664 -17.7137 -17.7137 -17.3783 -17.3783 -17.3047 -17.3047 -17.2798 -17.2798 -17.2324 -17.2324 -17.2087 -17.2087 -17.0893 -17.0893 -3.6658 -3.6658 -3.6620 -3.6620 -3.2066 -3.2066 -3.2050 -3.2050 -3.1998 -3.1998 0.6454 0.6454 4.3386 4.3386 7.6183 7.6183 7.8627 7.8627 8.8127 8.8127 8.8368 8.8368 9.7901 9.7901 9.8350 9.8350 10.7040 10.7040 11.0926 11.0926 12.1433 12.1433 12.3600 12.3600 12.9980 12.9982 k = 0.0694 0.5000-0.0000 ( 3694 PWs) bands (ev): -38.7896 -38.7896 -38.7590 -38.7590 -38.7283 -38.7283 -17.8408 -17.8408 -17.7671 -17.7671 -17.7142 -17.7142 -17.3781 -17.3781 -17.3074 -17.3074 -17.2775 -17.2775 -17.2343 -17.2343 -17.2061 -17.2061 -17.0892 -17.0892 -3.6658 -3.6658 -3.6620 -3.6620 -3.2065 -3.2065 -3.2050 -3.2050 -3.1998 -3.1998 0.6550 0.6550 4.3471 4.3471 7.6170 7.6170 7.8412 7.8412 8.7949 8.7949 8.8237 8.8237 9.7806 9.7806 9.8312 9.8312 10.7229 10.7229 11.1049 11.1049 12.1439 12.1439 12.3359 12.3359 13.0070 13.0073 k = 0.0833 0.5000-0.0000 ( 3698 PWs) bands (ev): -38.7893 -38.7893 -38.7590 -38.7590 -38.7286 -38.7286 -17.8403 -17.8403 -17.7680 -17.7680 -17.7150 -17.7150 -17.3779 -17.3779 -17.3102 -17.3102 -17.2754 -17.2754 -17.2360 -17.2360 -17.2036 -17.2036 -17.0890 -17.0890 -3.6657 -3.6657 -3.6620 -3.6620 -3.2065 -3.2065 -3.2050 -3.2050 -3.1998 -3.1998 0.6665 0.6665 4.3575 4.3575 7.6144 7.6144 7.8152 7.8152 8.7740 8.7740 8.8089 8.8089 9.7679 9.7679 9.8276 9.8276 10.7455 10.7455 11.1198 11.1198 12.1444 12.1444 12.3091 12.3091 13.0182 13.0185 k = 0.0972 0.5000-0.0000 ( 3694 PWs) bands (ev): -38.7889 -38.7889 -38.7590 -38.7590 -38.7290 -38.7290 -17.8397 -17.8397 -17.7690 -17.7690 -17.7158 -17.7158 -17.3776 -17.3776 -17.3128 -17.3128 -17.2736 -17.2736 -17.2372 -17.2372 -17.2011 -17.2011 -17.0888 -17.0888 -3.6656 -3.6656 -3.6620 -3.6620 -3.2064 -3.2064 -3.2050 -3.2050 -3.1998 -3.1998 0.6801 0.6801 4.3696 4.3696 7.6102 7.6102 7.7854 7.7854 8.7510 8.7510 8.7924 8.7924 9.7520 9.7520 9.8244 9.8244 10.7715 10.7715 11.1374 11.1374 12.1448 12.1448 12.2803 12.2803 13.0316 13.0318 k = 0.1111 0.5000-0.0000 ( 3690 PWs) bands (ev): -38.7884 -38.7884 -38.7590 -38.7590 -38.7294 -38.7294 -17.8390 -17.8390 -17.7702 -17.7702 -17.7167 -17.7167 -17.3773 -17.3773 -17.3155 -17.3155 -17.2723 -17.2723 -17.2378 -17.2378 -17.1989 -17.1989 -17.0884 -17.0884 -3.6655 -3.6655 -3.6620 -3.6620 -3.2064 -3.2064 -3.2049 -3.2049 -3.1997 -3.1997 0.6957 0.6957 4.3836 4.3836 7.6038 7.6038 7.7518 7.7518 8.7270 8.7270 8.7745 8.7745 9.7331 9.7331 9.8213 9.8213 10.8007 10.8007 11.1577 11.1577 12.1449 12.1449 12.2504 12.2504 13.0475 13.0476 k = 0.1250 0.5000-0.0000 ( 3694 PWs) bands (ev): -38.7879 -38.7879 -38.7590 -38.7590 -38.7299 -38.7299 -17.8382 -17.8382 -17.7715 -17.7715 -17.7178 -17.7178 -17.3770 -17.3770 -17.3181 -17.3181 -17.2716 -17.2716 -17.2379 -17.2379 -17.1968 -17.1968 -17.0881 -17.0881 -3.6654 -3.6654 -3.6621 -3.6621 -3.2064 -3.2064 -3.2048 -3.2048 -3.1997 -3.1997 0.7131 0.7131 4.3994 4.3994 7.5943 7.5943 7.7147 7.7147 8.7031 8.7031 8.7552 8.7552 9.7113 9.7113 9.8183 9.8183 10.8328 10.8328 11.1804 11.1804 12.1445 12.1445 12.2198 12.2198 13.0937 13.0954 k = 0.1389 0.5000-0.0000 ( 3696 PWs) bands (ev): -38.7874 -38.7874 -38.7590 -38.7590 -38.7304 -38.7304 -17.8374 -17.8374 -17.7729 -17.7729 -17.7190 -17.7190 -17.3765 -17.3765 -17.3207 -17.3207 -17.2714 -17.2714 -17.2373 -17.2373 -17.1949 -17.1949 -17.0876 -17.0876 -3.6654 -3.6654 -3.6621 -3.6621 -3.2064 -3.2064 -3.2047 -3.2047 -3.1997 -3.1997 0.7322 0.7322 4.4168 4.4168 7.5812 7.5812 7.6744 7.6744 8.6805 8.6805 8.7349 8.7349 9.6870 9.6870 9.8154 9.8154 10.8674 10.8674 11.2056 11.2056 12.1434 12.1434 12.1892 12.1892 13.0625 13.0625 k = 0.1528 0.5000-0.0000 ( 3696 PWs) bands (ev): -38.7868 -38.7868 -38.7590 -38.7590 -38.7310 -38.7310 -17.8364 -17.8364 -17.7744 -17.7744 -17.7203 -17.7203 -17.3760 -17.3760 -17.3231 -17.3231 -17.2718 -17.2718 -17.2361 -17.2361 -17.1933 -17.1933 -17.0869 -17.0869 -3.6653 -3.6653 -3.6621 -3.6621 -3.2065 -3.2065 -3.2046 -3.2046 -3.1996 -3.1996 0.7530 0.7530 4.4360 4.4360 7.5637 7.5637 7.6312 7.6312 8.6605 8.6605 8.7137 8.7137 9.6603 9.6603 9.8125 9.8125 10.9042 10.9042 11.2330 11.2330 12.1407 12.1407 12.1595 12.1595 13.0291 13.0291 k = 0.1667 0.5000-0.0000 ( 3700 PWs) bands (ev): -38.7861 -38.7861 -38.7590 -38.7590 -38.7317 -38.7317 -17.8354 -17.8354 -17.7759 -17.7759 -17.7218 -17.7218 -17.3755 -17.3755 -17.3256 -17.3256 -17.2725 -17.2725 -17.2345 -17.2345 -17.1919 -17.1919 -17.0862 -17.0862 -3.6652 -3.6652 -3.6621 -3.6621 -3.2065 -3.2065 -3.2045 -3.2045 -3.1995 -3.1995 0.7754 0.7754 4.4568 4.4568 7.5413 7.5413 7.5856 7.5856 8.6441 8.6441 8.6918 8.6918 9.6317 9.6317 9.8095 9.8095 10.9430 10.9430 11.2625 11.2625 12.1249 12.1249 12.1426 12.1426 12.9958 12.9958 k = 0.1806 0.5000-0.0000 ( 3696 PWs) bands (ev): -38.7854 -38.7854 -38.7590 -38.7590 -38.7324 -38.7324 -17.8343 -17.8343 -17.7776 -17.7776 -17.7233 -17.7233 -17.3748 -17.3748 -17.3279 -17.3279 -17.2735 -17.2735 -17.2325 -17.2325 -17.1908 -17.1908 -17.0854 -17.0854 -3.6650 -3.6650 -3.6621 -3.6621 -3.2066 -3.2066 -3.2043 -3.2043 -3.1994 -3.1994 0.7993 0.7993 4.4792 4.4792 7.5134 7.5134 7.5377 7.5377 8.6321 8.6321 8.6695 8.6695 9.6013 9.6013 9.8064 9.8064 10.9835 10.9835 11.2940 11.2940 12.0964 12.0964 12.1381 12.1381 12.9633 12.9633 k = 0.1944 0.5000-0.0000 ( 3696 PWs) bands (ev): -38.7846 -38.7846 -38.7590 -38.7590 -38.7331 -38.7331 -17.8331 -17.8331 -17.7792 -17.7792 -17.7250 -17.7250 -17.3741 -17.3741 -17.3302 -17.3302 -17.2748 -17.2748 -17.2303 -17.2303 -17.1899 -17.1899 -17.0844 -17.0844 -3.6649 -3.6649 -3.6622 -3.6622 -3.2066 -3.2066 -3.2042 -3.2042 -3.1993 -3.1993 0.8244 0.8244 4.5030 4.5030 7.4796 7.4796 7.4883 7.4883 8.6251 8.6251 8.6472 8.6472 9.5696 9.5696 9.8032 9.8032 11.0254 11.0254 11.3273 11.3273 12.0677 12.0677 12.1337 12.1337 12.9319 12.9319 k = 0.2083 0.5000-0.0000 ( 3704 PWs) bands (ev): -38.7838 -38.7838 -38.7589 -38.7589 -38.7339 -38.7339 -17.8319 -17.8319 -17.7810 -17.7810 -17.7268 -17.7268 -17.3733 -17.3733 -17.3324 -17.3324 -17.2761 -17.2761 -17.2280 -17.2280 -17.1893 -17.1893 -17.0833 -17.0833 -3.6648 -3.6648 -3.6622 -3.6622 -3.2068 -3.2068 -3.2040 -3.2040 -3.1993 -3.1993 0.8506 0.8506 4.5284 4.5284 7.4351 7.4351 7.4426 7.4426 8.6209 8.6209 8.6272 8.6272 9.5368 9.5368 9.7998 9.7998 11.0684 11.0684 11.3621 11.3621 12.0396 12.0396 12.1285 12.1285 12.9020 12.9020 k = 0.2222 0.5000-0.0000 ( 3704 PWs) bands (ev): -38.7829 -38.7829 -38.7589 -38.7589 -38.7348 -38.7348 -17.8306 -17.8306 -17.7827 -17.7827 -17.7286 -17.7286 -17.3724 -17.3724 -17.3345 -17.3345 -17.2776 -17.2776 -17.2256 -17.2256 -17.1889 -17.1889 -17.0821 -17.0821 -3.6647 -3.6647 -3.6622 -3.6622 -3.2069 -3.2069 -3.2039 -3.2039 -3.1992 -3.1992 0.8779 0.8779 4.5550 4.5550 7.3827 7.3827 7.3982 7.3982 8.6011 8.6011 8.6286 8.6286 9.5033 9.5033 9.7965 9.7965 11.1122 11.1122 11.3985 11.3985 12.0125 12.0125 12.1225 12.1225 12.8738 12.8738 k = 0.2361 0.5000-0.0000 ( 3716 PWs) bands (ev): -38.7820 -38.7820 -38.7589 -38.7589 -38.7357 -38.7357 -17.8293 -17.8293 -17.7845 -17.7845 -17.7306 -17.7306 -17.3714 -17.3714 -17.3365 -17.3365 -17.2790 -17.2790 -17.2232 -17.2232 -17.1887 -17.1887 -17.0808 -17.0808 -3.6647 -3.6647 -3.6623 -3.6623 -3.2070 -3.2070 -3.2038 -3.2038 -3.1991 -3.1991 0.9060 0.9060 4.5829 4.5829 7.3287 7.3287 7.3498 7.3498 8.5790 8.5790 8.6378 8.6378 9.4694 9.4694 9.7930 9.7930 11.1566 11.1566 11.4360 11.4360 11.9866 11.9866 12.1155 12.1155 12.8474 12.8474 k = 0.2500 0.5000-0.0000 ( 3712 PWs) bands (ev): -38.7811 -38.7811 -38.7589 -38.7589 -38.7366 -38.7366 -17.8278 -17.8278 -17.7862 -17.7862 -17.7327 -17.7327 -17.3704 -17.3704 -17.3384 -17.3384 -17.2805 -17.2805 -17.2209 -17.2209 -17.1887 -17.1887 -17.0795 -17.0795 -3.6645 -3.6645 -3.6623 -3.6623 -3.2071 -3.2071 -3.2036 -3.2036 -3.1990 -3.1990 0.9348 0.9348 4.6120 4.6120 7.2740 7.2740 7.2976 7.2976 8.5573 8.5573 8.6521 8.6521 9.4354 9.4354 9.7896 9.7896 11.2014 11.2014 11.4746 11.4746 11.9618 11.9618 12.1077 12.1077 12.8227 12.8227 k = 0.2639 0.5000-0.0000 ( 3712 PWs) bands (ev): -38.7801 -38.7801 -38.7589 -38.7589 -38.7376 -38.7376 -17.8263 -17.8263 -17.7880 -17.7880 -17.7348 -17.7348 -17.3693 -17.3693 -17.3402 -17.3402 -17.2819 -17.2819 -17.2187 -17.2187 -17.1888 -17.1888 -17.0780 -17.0780 -3.6644 -3.6644 -3.6623 -3.6623 -3.2072 -3.2072 -3.2034 -3.2034 -3.1988 -3.1988 0.9641 0.9641 4.6420 4.6420 7.2188 7.2188 7.2426 7.2426 8.5361 8.5361 8.6707 8.6707 9.4017 9.4017 9.7861 9.7861 11.2463 11.2463 11.5140 11.5140 11.9383 11.9383 12.0993 12.0993 12.7996 12.7996 k = 0.2778 0.5000-0.0000 ( 3706 PWs) bands (ev): -38.7790 -38.7790 -38.7589 -38.7589 -38.7386 -38.7386 -17.8247 -17.8247 -17.7896 -17.7896 -17.7370 -17.7370 -17.3681 -17.3681 -17.3419 -17.3419 -17.2832 -17.2832 -17.2166 -17.2166 -17.1890 -17.1890 -17.0765 -17.0765 -3.6642 -3.6642 -3.6623 -3.6623 -3.2073 -3.2073 -3.2032 -3.2032 -3.1987 -3.1987 0.9936 0.9936 4.6730 4.6730 7.1634 7.1634 7.1854 7.1854 8.5155 8.5155 8.6932 8.6932 9.3685 9.3685 9.7826 9.7826 11.2909 11.2909 11.5541 11.5541 11.9161 11.9161 12.0903 12.0903 12.7780 12.7780 k = 0.2917 0.5000-0.0000 ( 3710 PWs) bands (ev): -38.7780 -38.7780 -38.7589 -38.7589 -38.7397 -38.7397 -17.8231 -17.8231 -17.7913 -17.7913 -17.7393 -17.7393 -17.3669 -17.3669 -17.3435 -17.3435 -17.2846 -17.2846 -17.2149 -17.2149 -17.1892 -17.1892 -17.0750 -17.0750 -3.6641 -3.6641 -3.6624 -3.6624 -3.2074 -3.2074 -3.2031 -3.2031 -3.1985 -3.1985 1.0231 1.0231 4.7046 4.7046 7.1081 7.1081 7.1271 7.1271 8.4957 8.4957 8.7187 8.7187 9.3361 9.3361 9.7791 9.7791 11.3351 11.3351 11.5944 11.5944 11.8952 11.8952 12.0810 12.0810 12.7575 12.7575 k = 0.3056 0.5000-0.0000 ( 3698 PWs) bands (ev): -38.7769 -38.7769 -38.7589 -38.7589 -38.7408 -38.7408 -17.8215 -17.8215 -17.7929 -17.7929 -17.7416 -17.7416 -17.3657 -17.3657 -17.3449 -17.3449 -17.2858 -17.2858 -17.2133 -17.2133 -17.1893 -17.1893 -17.0734 -17.0734 -3.6640 -3.6640 -3.6623 -3.6623 -3.2074 -3.2074 -3.2029 -3.2029 -3.1983 -3.1983 1.0525 1.0525 4.7367 4.7367 7.0532 7.0532 7.0684 7.0684 8.4769 8.4769 8.7469 8.7469 9.3048 9.3048 9.7757 9.7757 11.3787 11.3787 11.6349 11.6349 11.8758 11.8758 12.0717 12.0717 12.7376 12.7376 k = 0.3194 0.5000-0.0000 ( 3698 PWs) bands (ev): -38.7757 -38.7757 -38.7588 -38.7588 -38.7419 -38.7419 -17.8198 -17.8198 -17.7944 -17.7944 -17.7439 -17.7439 -17.3645 -17.3645 -17.3462 -17.3462 -17.2870 -17.2870 -17.2121 -17.2121 -17.1894 -17.1894 -17.0719 -17.0719 -3.6639 -3.6639 -3.6623 -3.6623 -3.2075 -3.2075 -3.2028 -3.2028 -3.1982 -3.1982 1.0813 1.0813 4.7692 4.7692 6.9991 6.9991 7.0102 7.0102 8.4590 8.4590 8.7769 8.7769 9.2747 9.2747 9.7724 9.7724 11.4212 11.4212 11.6753 11.6753 11.8577 11.8577 12.0624 12.0624 12.7179 12.7179 k = 0.3333 0.5000-0.0000 ( 3702 PWs) bands (ev): -38.7745 -38.7745 -38.7588 -38.7588 -38.7431 -38.7431 -17.8181 -17.8181 -17.7958 -17.7958 -17.7463 -17.7463 -17.3634 -17.3634 -17.3473 -17.3473 -17.2881 -17.2881 -17.2113 -17.2113 -17.1893 -17.1893 -17.0704 -17.0704 -3.6638 -3.6638 -3.6623 -3.6623 -3.2076 -3.2076 -3.2027 -3.2027 -3.1981 -3.1981 1.1095 1.1095 4.8017 4.8017 6.9461 6.9461 6.9531 6.9531 8.4420 8.4420 8.8081 8.8081 9.2460 9.2460 9.7691 9.7691 11.4624 11.4624 11.7153 11.7153 11.8409 11.8409 12.0535 12.0535 12.6976 12.6976 k = 0.3472 0.5000-0.0000 ( 3694 PWs) bands (ev): -38.7733 -38.7733 -38.7588 -38.7588 -38.7443 -38.7443 -17.8164 -17.8164 -17.7972 -17.7972 -17.7487 -17.7487 -17.3623 -17.3623 -17.3482 -17.3482 -17.2892 -17.2892 -17.2109 -17.2109 -17.1891 -17.1891 -17.0690 -17.0690 -3.6637 -3.6637 -3.6623 -3.6623 -3.2077 -3.2077 -3.2026 -3.2026 -3.1979 -3.1979 1.1367 1.1367 4.8339 4.8339 6.8946 6.8946 6.8980 6.8980 8.4262 8.4262 8.8400 8.8400 9.2191 9.2191 9.7660 9.7660 11.5021 11.5021 11.7545 11.7545 11.8256 11.8256 12.0453 12.0453 12.6763 12.6763 k = 0.3611 0.5000-0.0000 ( 3694 PWs) bands (ev): -38.7721 -38.7721 -38.7588 -38.7588 -38.7455 -38.7455 -17.8147 -17.8147 -17.7984 -17.7984 -17.7510 -17.7510 -17.3614 -17.3614 -17.3488 -17.3488 -17.2902 -17.2902 -17.2108 -17.2108 -17.1886 -17.1886 -17.0676 -17.0676 -3.6636 -3.6636 -3.6623 -3.6623 -3.2077 -3.2077 -3.2025 -3.2025 -3.1977 -3.1977 1.1627 1.1627 4.8656 4.8656 6.8446 6.8446 6.8458 6.8458 8.4117 8.4117 8.8719 8.8719 9.1940 9.1940 9.7630 9.7630 11.5399 11.5399 11.7923 11.7923 11.8119 11.8119 12.0378 12.0378 12.6532 12.6532 k = 0.3750 0.5000-0.0000 ( 3688 PWs) bands (ev): -38.7708 -38.7708 -38.7588 -38.7588 -38.7468 -38.7468 -17.8130 -17.8130 -17.7995 -17.7995 -17.7533 -17.7533 -17.3606 -17.3606 -17.3492 -17.3492 -17.2911 -17.2911 -17.2110 -17.2110 -17.1880 -17.1880 -17.0664 -17.0664 -3.6635 -3.6635 -3.6623 -3.6623 -3.2078 -3.2078 -3.2024 -3.2024 -3.1975 -3.1975 1.1873 1.1873 4.8964 4.8964 6.7955 6.7955 6.7981 6.7981 8.3984 8.3984 8.9032 8.9032 9.1709 9.1709 9.7603 9.7603 11.5755 11.5755 11.7986 11.7986 11.8296 11.8296 12.0314 12.0314 12.6280 12.6280 k = 0.3889 0.5000-0.0000 ( 3692 PWs) bands (ev): -38.7695 -38.7695 -38.7588 -38.7588 -38.7480 -38.7480 -17.8115 -17.8115 -17.8004 -17.8004 -17.7556 -17.7556 -17.3602 -17.3602 -17.3494 -17.3494 -17.2920 -17.2920 -17.2114 -17.2114 -17.1874 -17.1874 -17.0652 -17.0652 -3.6634 -3.6634 -3.6623 -3.6623 -3.2079 -3.2079 -3.2023 -3.2023 -3.1974 -3.1974 1.2100 1.2100 4.9259 4.9259 6.7497 6.7497 6.7537 6.7537 8.3863 8.3863 8.9332 8.9332 9.1499 9.1499 9.7577 9.7577 11.6085 11.6085 11.7875 11.7875 11.8642 11.8642 12.0261 12.0261 12.6007 12.6007 k = 0.4028 0.5000-0.0000 ( 3688 PWs) bands (ev): -38.7682 -38.7682 -38.7588 -38.7588 -38.7493 -38.7493 -17.8100 -17.8100 -17.8011 -17.8011 -17.7578 -17.7578 -17.3599 -17.3599 -17.3492 -17.3492 -17.2927 -17.2927 -17.2119 -17.2119 -17.1867 -17.1867 -17.0641 -17.0641 -3.6634 -3.6634 -3.6623 -3.6623 -3.2079 -3.2079 -3.2023 -3.2023 -3.1973 -3.1973 1.2308 1.2308 4.9536 4.9536 6.7081 6.7081 6.7127 6.7127 8.3755 8.3755 8.9613 8.9613 9.1312 9.1312 9.7554 9.7554 11.6387 11.6387 11.7777 11.7777 11.8965 11.8965 12.0221 12.0221 12.5716 12.5716 k = 0.4167 0.5000-0.0000 ( 3694 PWs) bands (ev): -38.7669 -38.7669 -38.7588 -38.7588 -38.7507 -38.7507 -17.8089 -17.8089 -17.8015 -17.8015 -17.7598 -17.7598 -17.3598 -17.3598 -17.3489 -17.3489 -17.2934 -17.2934 -17.2125 -17.2125 -17.1860 -17.1860 -17.0632 -17.0632 -3.6633 -3.6633 -3.6623 -3.6623 -3.2080 -3.2080 -3.2022 -3.2022 -3.1972 -3.1972 1.2494 1.2494 4.9791 4.9791 6.6710 6.6710 6.6756 6.6756 8.3661 8.3661 8.9869 8.9869 9.1149 9.1149 9.7533 9.7533 11.6658 11.6658 11.7692 11.7692 11.9258 11.9258 12.0193 12.0193 12.5419 12.5419 k = 0.4306 0.5000-0.0000 ( 3682 PWs) bands (ev): -38.7656 -38.7656 -38.7588 -38.7588 -38.7520 -38.7520 -17.8080 -17.8080 -17.8015 -17.8015 -17.7617 -17.7617 -17.3599 -17.3599 -17.3484 -17.3484 -17.2940 -17.2940 -17.2131 -17.2131 -17.1853 -17.1853 -17.0623 -17.0623 -3.6633 -3.6633 -3.6622 -3.6622 -3.2080 -3.2080 -3.2021 -3.2021 -3.1971 -3.1971 1.2656 1.2656 5.0019 5.0019 6.6390 6.6390 6.6430 6.6430 8.3581 8.3581 9.0096 9.0096 9.1012 9.1012 9.7515 9.7515 11.6893 11.6893 11.7620 11.7620 11.9518 11.9518 12.0179 12.0179 12.5130 12.5130 k = 0.4444 0.5000-0.0000 ( 3682 PWs) bands (ev): -38.7642 -38.7642 -38.7588 -38.7588 -38.7533 -38.7533 -17.8076 -17.8076 -17.8012 -17.8012 -17.7634 -17.7634 -17.3600 -17.3600 -17.3479 -17.3479 -17.2945 -17.2945 -17.2136 -17.2136 -17.1847 -17.1847 -17.0616 -17.0616 -3.6632 -3.6632 -3.6622 -3.6622 -3.2080 -3.2080 -3.2021 -3.2021 -3.1970 -3.1970 1.2791 1.2791 5.0214 5.0214 6.6122 6.6122 6.6153 6.6153 8.3516 8.3516 9.0284 9.0284 9.0902 9.0902 9.7500 9.7500 11.7090 11.7090 11.7563 11.7563 11.9736 11.9736 12.0177 12.0177 12.4864 12.4864 k = 0.4583 0.5000-0.0000 ( 3684 PWs) bands (ev): -38.7629 -38.7629 -38.7588 -38.7588 -38.7547 -38.7547 -17.8074 -17.8074 -17.8007 -17.8007 -17.7647 -17.7647 -17.3601 -17.3601 -17.3475 -17.3475 -17.2949 -17.2949 -17.2141 -17.2141 -17.1843 -17.1843 -17.0611 -17.0611 -3.6632 -3.6632 -3.6622 -3.6622 -3.2081 -3.2081 -3.2021 -3.2021 -3.1969 -3.1969 1.2898 1.2898 5.0372 5.0372 6.5912 6.5912 6.5931 6.5931 8.3463 8.3463 9.0428 9.0428 9.0824 9.0824 9.7488 9.7488 11.7244 11.7244 11.7519 11.7519 11.9905 11.9905 12.0186 12.0186 12.4637 12.4637 k = 0.4722 0.5000-0.0000 ( 3688 PWs) bands (ev): -38.7615 -38.7615 -38.7588 -38.7588 -38.7560 -38.7560 -17.8074 -17.8074 -17.8002 -17.8002 -17.7658 -17.7658 -17.3602 -17.3602 -17.3471 -17.3471 -17.2952 -17.2952 -17.2145 -17.2145 -17.1840 -17.1840 -17.0607 -17.0607 -3.6632 -3.6632 -3.6622 -3.6622 -3.2081 -3.2081 -3.2021 -3.2021 -3.1969 -3.1969 1.2975 1.2975 5.0488 5.0488 6.5759 6.5759 6.5768 6.5768 8.3427 8.3427 9.0517 9.0517 9.0784 9.0784 9.7479 9.7479 11.7352 11.7352 11.7492 11.7492 12.0017 12.0017 12.0209 12.0209 12.4463 12.4463 k = 0.4861 0.5000-0.0000 ( 3676 PWs) bands (ev): -38.7601 -38.7601 -38.7588 -38.7588 -38.7574 -38.7574 -17.8074 -17.8074 -17.7998 -17.7998 -17.7664 -17.7664 -17.3603 -17.3603 -17.3469 -17.3469 -17.2953 -17.2953 -17.2147 -17.2147 -17.1837 -17.1837 -17.0604 -17.0604 -3.6632 -3.6632 -3.6622 -3.6622 -3.2081 -3.2081 -3.2020 -3.2020 -3.1968 -3.1968 1.3022 1.3022 5.0560 5.0560 6.5667 6.5667 6.5670 6.5670 8.3405 8.3405 9.0554 9.0554 9.0780 9.0780 9.7475 9.7475 11.7407 11.7407 11.7487 11.7487 12.0073 12.0073 12.0239 12.0239 12.4354 12.4354 k = 0.5000 0.5000-0.0000 ( 3676 PWs) bands (ev): -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -17.8074 -17.8074 -17.7997 -17.7997 -17.7667 -17.7667 -17.3603 -17.3603 -17.3468 -17.3468 -17.2954 -17.2954 -17.2148 -17.2148 -17.1836 -17.1836 -17.0604 -17.0604 -3.6632 -3.6632 -3.6622 -3.6622 -3.2081 -3.2081 -3.2020 -3.2020 -3.1968 -3.1968 1.3037 1.3037 5.0584 5.0584 6.5636 6.5636 6.5636 6.5636 8.3397 8.3397 9.0560 9.0560 9.0783 9.0783 9.7473 9.7473 11.7418 11.7418 11.7493 11.7493 12.0088 12.0088 12.0253 12.0253 12.4317 12.4317 k = 0.5000 0.5000-0.0000 ( 3676 PWs) bands (ev): -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -17.8074 -17.8074 -17.7997 -17.7997 -17.7667 -17.7667 -17.3603 -17.3603 -17.3468 -17.3468 -17.2954 -17.2954 -17.2148 -17.2148 -17.1836 -17.1836 -17.0604 -17.0604 -3.6632 -3.6632 -3.6622 -3.6622 -3.2081 -3.2081 -3.2020 -3.2020 -3.1968 -3.1968 1.3037 1.3037 5.0584 5.0584 6.5636 6.5636 6.5636 6.5636 8.3397 8.3397 9.0560 9.0560 9.0783 9.0783 9.7473 9.7473 11.7418 11.7418 11.7493 11.7493 12.0088 12.0088 12.0253 12.0253 12.4317 12.4317 k = 0.4900 0.4900-0.0000 ( 3676 PWs) bands (ev): -38.7602 -38.7602 -38.7587 -38.7587 -38.7574 -38.7574 -17.8074 -17.8074 -17.7998 -17.7998 -17.7664 -17.7664 -17.3603 -17.3603 -17.3469 -17.3469 -17.2953 -17.2953 -17.2147 -17.2147 -17.1837 -17.1837 -17.0604 -17.0604 -3.6632 -3.6632 -3.6622 -3.6622 -3.2081 -3.2081 -3.2020 -3.2020 -3.1968 -3.1968 1.3021 1.3021 5.0559 5.0559 6.5655 6.5655 6.5685 6.5685 8.3405 8.3405 9.0554 9.0554 9.0779 9.0779 9.7475 9.7475 11.7406 11.7406 11.7488 11.7488 12.0071 12.0071 12.0240 12.0240 12.4356 12.4356 k = 0.4800 0.4800-0.0000 ( 3684 PWs) bands (ev): -38.7616 -38.7616 -38.7586 -38.7586 -38.7561 -38.7561 -17.8073 -17.8073 -17.8003 -17.8003 -17.7658 -17.7658 -17.3602 -17.3602 -17.3471 -17.3471 -17.2952 -17.2952 -17.2145 -17.2145 -17.1840 -17.1840 -17.0607 -17.0607 -3.6632 -3.6632 -3.6622 -3.6622 -3.2081 -3.2081 -3.2021 -3.2021 -3.1969 -3.1969 1.2972 1.2972 5.0485 5.0485 6.5709 6.5709 6.5828 6.5828 8.3428 8.3428 9.0524 9.0524 9.0776 9.0776 9.7480 9.7480 11.7346 11.7346 11.7496 11.7496 11.9997 11.9997 12.0225 12.0225 12.4470 12.4470 k = 0.4700 0.4700-0.0000 ( 3694 PWs) bands (ev): -38.7631 -38.7631 -38.7585 -38.7585 -38.7547 -38.7547 -17.8073 -17.8073 -17.8010 -17.8010 -17.7646 -17.7646 -17.3601 -17.3601 -17.3475 -17.3475 -17.2949 -17.2949 -17.2141 -17.2141 -17.1843 -17.1843 -17.0611 -17.0611 -3.6633 -3.6633 -3.6623 -3.6623 -3.2081 -3.2081 -3.2021 -3.2021 -3.1970 -3.1970 1.2892 1.2892 5.0365 5.0365 6.5800 6.5800 6.6063 6.6063 8.3466 8.3466 9.0453 9.0453 9.0795 9.0795 9.7488 9.7488 11.7230 11.7230 11.7528 11.7528 11.9844 11.9844 12.0234 12.0234 12.4657 12.4657 k = 0.4600 0.4600-0.0000 ( 3682 PWs) bands (ev): -38.7646 -38.7646 -38.7583 -38.7583 -38.7535 -38.7535 -17.8072 -17.8072 -17.8018 -17.8018 -17.7631 -17.7631 -17.3599 -17.3599 -17.3480 -17.3480 -17.2945 -17.2945 -17.2135 -17.2135 -17.1848 -17.1848 -17.0616 -17.0616 -3.6633 -3.6633 -3.6622 -3.6622 -3.2080 -3.2080 -3.2021 -3.2021 -3.1970 -3.1970 1.2780 1.2780 5.0203 5.0203 6.5928 6.5928 6.6387 6.6387 8.3520 8.3520 9.0338 9.0338 9.0845 9.0845 9.7502 9.7502 11.7064 11.7064 11.7579 11.7579 11.9622 11.9622 12.0264 12.0264 12.4909 12.4909 k = 0.4500 0.4500-0.0000 ( 3680 PWs) bands (ev): -38.7661 -38.7661 -38.7580 -38.7580 -38.7522 -38.7522 -17.8071 -17.8071 -17.8028 -17.8028 -17.7612 -17.7612 -17.3597 -17.3597 -17.3486 -17.3486 -17.2941 -17.2941 -17.2128 -17.2128 -17.1855 -17.1855 -17.0623 -17.0623 -3.6633 -3.6633 -3.6622 -3.6622 -3.2080 -3.2080 -3.2021 -3.2021 -3.1971 -3.1971 1.2637 1.2637 5.0003 5.0003 6.6091 6.6091 6.6791 6.6791 8.3588 8.3588 9.0185 9.0185 9.0920 9.0920 9.7518 9.7518 11.6855 11.6855 11.7646 11.7646 11.9342 11.9342 12.0308 12.0308 12.5218 12.5218 k = 0.4400 0.4400-0.0000 ( 3686 PWs) bands (ev): -38.7677 -38.7677 -38.7577 -38.7577 -38.7510 -38.7510 -17.8071 -17.8071 -17.8040 -17.8040 -17.7590 -17.7590 -17.3594 -17.3594 -17.3493 -17.3493 -17.2936 -17.2936 -17.2119 -17.2119 -17.1863 -17.1863 -17.0631 -17.0631 -3.6633 -3.6633 -3.6623 -3.6623 -3.2080 -3.2080 -3.2022 -3.2022 -3.1972 -3.1972 1.2463 1.2463 4.9772 4.9772 6.6290 6.6290 6.7268 6.7268 8.3672 8.3672 9.0003 9.0003 9.1015 9.1015 9.7539 9.7539 11.6605 11.6605 11.7727 11.7727 11.9012 11.9012 12.0362 12.0362 12.5577 12.5577 k = 0.4300 0.4300-0.0000 ( 3694 PWs) bands (ev): -38.7693 -38.7693 -38.7573 -38.7573 -38.7498 -38.7498 -17.8072 -17.8072 -17.8051 -17.8051 -17.7566 -17.7566 -17.3591 -17.3591 -17.3500 -17.3500 -17.2932 -17.2932 -17.2109 -17.2109 -17.1873 -17.1873 -17.0639 -17.0639 -3.6634 -3.6634 -3.6623 -3.6623 -3.2080 -3.2080 -3.2023 -3.2023 -3.1974 -3.1974 1.2262 1.2262 4.9514 4.9514 6.6523 6.6523 6.7815 6.7815 8.3769 8.3769 8.9800 8.9800 9.1131 9.1131 9.7563 9.7563 11.6320 11.6320 11.7822 11.7822 11.8638 11.8638 12.0427 12.0427 12.5973 12.5973 k = 0.4200 0.4200-0.0000 ( 3684 PWs) bands (ev): -38.7709 -38.7709 -38.7569 -38.7569 -38.7487 -38.7487 -17.8077 -17.8077 -17.8060 -17.8060 -17.7538 -17.7538 -17.3588 -17.3588 -17.3507 -17.3507 -17.2927 -17.2927 -17.2097 -17.2097 -17.1884 -17.1884 -17.0648 -17.0648 -3.6634 -3.6634 -3.6623 -3.6623 -3.2079 -3.2079 -3.2023 -3.2023 -3.1974 -3.1974 1.2033 1.2033 4.9234 4.9234 6.6792 6.6792 6.8424 6.8424 8.3882 8.3882 8.9582 8.9582 9.1267 9.1267 9.7591 9.7591 11.6002 11.6002 11.7931 11.7931 11.8229 11.8229 12.0502 12.0502 12.6396 12.6396 k = 0.4100 0.4100-0.0000 ( 3690 PWs) bands (ev): -38.7725 -38.7725 -38.7564 -38.7564 -38.7476 -38.7476 -17.8087 -17.8087 -17.8063 -17.8063 -17.7509 -17.7509 -17.3586 -17.3586 -17.3514 -17.3514 -17.2923 -17.2923 -17.2085 -17.2085 -17.1896 -17.1896 -17.0657 -17.0657 -3.6635 -3.6635 -3.6624 -3.6624 -3.2078 -3.2078 -3.2024 -3.2024 -3.1976 -3.1976 1.1779 1.1779 4.8936 4.8936 6.7096 6.7096 6.9088 6.9088 8.4009 8.4009 8.9355 8.9355 9.1420 9.1420 9.7624 9.7624 11.5656 11.5656 11.7785 11.7785 11.8056 11.8056 12.0585 12.0585 12.6833 12.6833 k = 0.4000 0.4000-0.0000 ( 3690 PWs) bands (ev): -38.7741 -38.7741 -38.7558 -38.7558 -38.7465 -38.7465 -17.8101 -17.8101 -17.8065 -17.8065 -17.7477 -17.7477 -17.3583 -17.3583 -17.3519 -17.3519 -17.2919 -17.2919 -17.2072 -17.2072 -17.1908 -17.1908 -17.0666 -17.0666 -3.6636 -3.6636 -3.6624 -3.6624 -3.2078 -3.2078 -3.2025 -3.2025 -3.1978 -3.1978 1.1500 1.1500 4.8624 4.8624 6.7432 6.7432 6.9802 6.9802 8.4150 8.4150 8.9125 8.9125 9.1592 9.1592 9.7661 9.7661 11.5286 11.5286 11.7318 11.7318 11.8191 11.8191 12.0677 12.0677 12.7271 12.7271 k = 0.3900 0.3900-0.0000 ( 3694 PWs) bands (ev): -38.7758 -38.7758 -38.7552 -38.7552 -38.7455 -38.7455 -17.8116 -17.8116 -17.8066 -17.8066 -17.7445 -17.7445 -17.3582 -17.3582 -17.3522 -17.3522 -17.2916 -17.2916 -17.2062 -17.2062 -17.1918 -17.1918 -17.0674 -17.0674 -3.6637 -3.6637 -3.6624 -3.6624 -3.2077 -3.2077 -3.2026 -3.2026 -3.1980 -3.1980 1.1199 1.1199 4.8301 4.8301 6.7802 6.7802 7.0559 7.0559 8.4304 8.4304 8.8899 8.8899 9.1781 9.1781 9.7703 9.7703 11.4894 11.4894 11.6827 11.6827 11.8338 11.8338 12.0775 12.0775 12.7694 12.7694 k = 0.3800 0.3800-0.0000 ( 3686 PWs) bands (ev): -38.7774 -38.7774 -38.7546 -38.7546 -38.7445 -38.7445 -17.8131 -17.8131 -17.8068 -17.8068 -17.7410 -17.7410 -17.3582 -17.3582 -17.3524 -17.3524 -17.2914 -17.2914 -17.2057 -17.2057 -17.1922 -17.1922 -17.0682 -17.0682 -3.6637 -3.6637 -3.6624 -3.6624 -3.2076 -3.2076 -3.2026 -3.2026 -3.1982 -3.1982 1.0877 1.0877 4.7969 4.7969 6.8205 6.8205 7.1357 7.1357 8.4473 8.4473 8.8682 8.8682 9.1988 9.1988 9.7751 9.7751 11.4485 11.4485 11.6319 11.6319 11.8497 11.8497 12.0881 12.0881 12.8084 12.8084 k = 0.3700 0.3700-0.0000 ( 3690 PWs) bands (ev): -38.7791 -38.7791 -38.7539 -38.7539 -38.7435 -38.7435 -17.8147 -17.8147 -17.8070 -17.8070 -17.7375 -17.7375 -17.3583 -17.3583 -17.3523 -17.3523 -17.2914 -17.2914 -17.2061 -17.2061 -17.1918 -17.1918 -17.0690 -17.0690 -3.6638 -3.6638 -3.6625 -3.6625 -3.2076 -3.2076 -3.2027 -3.2027 -3.1984 -3.1984 1.0535 1.0535 4.7631 4.7631 6.8638 6.8638 7.2189 7.2189 8.4654 8.4654 8.8478 8.8478 9.2211 9.2211 9.7804 9.7804 11.4061 11.4061 11.5795 11.5795 11.8667 11.8667 12.0992 12.0992 12.8423 12.8423 k = 0.3600 0.3600-0.0000 ( 3700 PWs) bands (ev): -38.7808 -38.7808 -38.7532 -38.7532 -38.7426 -38.7426 -17.8164 -17.8164 -17.8073 -17.8073 -17.7338 -17.7338 -17.3586 -17.3586 -17.3520 -17.3520 -17.2914 -17.2914 -17.2074 -17.2074 -17.1904 -17.1904 -17.0696 -17.0696 -3.6640 -3.6640 -3.6626 -3.6626 -3.2076 -3.2076 -3.2029 -3.2029 -3.1987 -3.1987 1.0176 1.0176 4.7287 4.7287 6.9103 6.9103 7.3051 7.3051 8.4847 8.4847 8.8293 8.8293 9.2450 9.2450 9.7861 9.7861 11.3626 11.3626 11.5260 11.5260 11.8847 11.8847 12.1108 12.1108 12.8688 12.8688 k = 0.3500 0.3500-0.0000 ( 3696 PWs) bands (ev): -38.7825 -38.7825 -38.7524 -38.7524 -38.7417 -38.7417 -17.8180 -17.8180 -17.8077 -17.8077 -17.7301 -17.7301 -17.3589 -17.3589 -17.3516 -17.3516 -17.2916 -17.2916 -17.2095 -17.2095 -17.1882 -17.1882 -17.0701 -17.0701 -3.6641 -3.6641 -3.6626 -3.6626 -3.2075 -3.2075 -3.2030 -3.2030 -3.1990 -3.1990 0.9802 0.9802 4.6940 4.6940 6.9598 6.9598 7.3939 7.3939 8.5053 8.5053 8.8132 8.8132 9.2707 9.2707 9.7925 9.7925 11.3182 11.3182 11.4715 11.4715 11.9037 11.9037 12.1228 12.1228 12.8855 12.8855 k = 0.3400 0.3400-0.0000 ( 3696 PWs) bands (ev): -38.7842 -38.7842 -38.7516 -38.7516 -38.7408 -38.7408 -17.8196 -17.8196 -17.8083 -17.8083 -17.7263 -17.7263 -17.3592 -17.3592 -17.3510 -17.3510 -17.2918 -17.2918 -17.2122 -17.2122 -17.1855 -17.1855 -17.0705 -17.0705 -3.6642 -3.6642 -3.6627 -3.6627 -3.2074 -3.2074 -3.2031 -3.2031 -3.1992 -3.1992 0.9415 0.9415 4.6590 4.6590 7.0121 7.0121 7.4849 7.4849 8.5270 8.5270 8.8000 8.8000 9.2978 9.2978 9.7995 9.7995 11.2731 11.2731 11.4164 11.4164 11.9236 11.9236 12.1351 12.1351 12.8900 12.8900 k = 0.3300 0.3300-0.0000 ( 3696 PWs) bands (ev): -38.7859 -38.7859 -38.7508 -38.7508 -38.7400 -38.7400 -17.8213 -17.8213 -17.8089 -17.8089 -17.7226 -17.7226 -17.3594 -17.3594 -17.3504 -17.3504 -17.2922 -17.2922 -17.2151 -17.2151 -17.1823 -17.1823 -17.0708 -17.0708 -3.6643 -3.6643 -3.6628 -3.6628 -3.2074 -3.2074 -3.2032 -3.2032 -3.1995 -3.1995 0.9017 0.9017 4.6239 4.6239 7.0672 7.0672 7.5777 7.5777 8.5498 8.5498 8.7900 8.7900 9.3265 9.3265 9.8070 9.8070 11.2276 11.2276 11.3608 11.3608 11.9443 11.9443 12.1475 12.1475 12.8807 12.8807 k = 0.3200 0.3200-0.0000 ( 3696 PWs) bands (ev): -38.7876 -38.7876 -38.7499 -38.7499 -38.7392 -38.7392 -17.8229 -17.8229 -17.8096 -17.8096 -17.7188 -17.7188 -17.3595 -17.3595 -17.3497 -17.3497 -17.2928 -17.2928 -17.2184 -17.2184 -17.1788 -17.1788 -17.0709 -17.0709 -3.6645 -3.6645 -3.6629 -3.6629 -3.2074 -3.2074 -3.2034 -3.2034 -3.1998 -3.1998 0.8609 0.8609 4.5886 4.5886 7.1250 7.1250 7.6718 7.6718 8.5736 8.5736 8.7837 8.7837 9.3566 9.3566 9.8152 9.8152 11.1819 11.1819 11.3049 11.3049 11.9657 11.9657 12.1599 12.1599 12.8576 12.8576 k = 0.3100 0.3100-0.0000 ( 3710 PWs) bands (ev): -38.7893 -38.7893 -38.7490 -38.7490 -38.7384 -38.7384 -17.8246 -17.8246 -17.8105 -17.8105 -17.7152 -17.7152 -17.3596 -17.3596 -17.3491 -17.3491 -17.2935 -17.2935 -17.2218 -17.2218 -17.1751 -17.1751 -17.0709 -17.0709 -3.6647 -3.6647 -3.6630 -3.6630 -3.2074 -3.2074 -3.2036 -3.2036 -3.2001 -3.2001 0.8193 0.8193 4.5532 4.5532 7.1852 7.1852 7.7666 7.7666 8.5983 8.5983 8.7814 8.7814 9.3879 9.3879 9.8240 9.8240 11.1360 11.1360 11.2489 11.2489 11.9877 11.9877 12.1723 12.1723 12.8223 12.8223 k = 0.3000 0.3000-0.0000 ( 3706 PWs) bands (ev): -38.7910 -38.7910 -38.7481 -38.7481 -38.7377 -38.7377 -17.8262 -17.8262 -17.8115 -17.8115 -17.7115 -17.7115 -17.3595 -17.3595 -17.3484 -17.3484 -17.2943 -17.2943 -17.2252 -17.2252 -17.1710 -17.1710 -17.0708 -17.0708 -3.6648 -3.6648 -3.6631 -3.6631 -3.2074 -3.2074 -3.2037 -3.2037 -3.2004 -3.2004 0.7772 0.7772 4.5178 4.5178 7.2480 7.2480 7.8615 7.8615 8.6239 8.6239 8.7838 8.7838 9.4206 9.4206 9.8336 9.8336 11.0904 11.0904 11.1930 11.1930 12.0103 12.0103 12.1845 12.1845 12.7774 12.7774 k = 0.2900 0.2900-0.0000 ( 3716 PWs) bands (ev): -38.7926 -38.7926 -38.7471 -38.7471 -38.7370 -38.7370 -17.8278 -17.8278 -17.8126 -17.8126 -17.7079 -17.7079 -17.3595 -17.3595 -17.3477 -17.3477 -17.2952 -17.2952 -17.2288 -17.2288 -17.1667 -17.1667 -17.0705 -17.0705 -3.6650 -3.6650 -3.6633 -3.6633 -3.2074 -3.2074 -3.2039 -3.2039 -3.2008 -3.2008 0.7347 0.7347 4.4825 4.4825 7.3131 7.3131 7.9559 7.9559 8.6504 8.6504 8.7914 8.7914 9.4543 9.4543 9.8438 9.8438 11.0450 11.0450 11.1373 11.1373 12.0334 12.0334 12.1964 12.1964 12.7255 12.7255 k = 0.2800 0.2800-0.0000 ( 3710 PWs) bands (ev): -38.7943 -38.7943 -38.7462 -38.7462 -38.7363 -38.7363 -17.8295 -17.8295 -17.8138 -17.8138 -17.7044 -17.7044 -17.3592 -17.3592 -17.3470 -17.3470 -17.2963 -17.2963 -17.2322 -17.2322 -17.1623 -17.1623 -17.0702 -17.0702 -3.6652 -3.6652 -3.6634 -3.6634 -3.2074 -3.2074 -3.2041 -3.2041 -3.2011 -3.2011 0.6921 0.6921 4.4473 4.4473 7.3804 7.3804 8.0489 8.0489 8.6775 8.6775 8.8048 8.8048 9.4892 9.4892 9.8548 9.8548 11.0001 11.0001 11.0820 11.0820 12.0569 12.0569 12.2080 12.2080 12.6691 12.6691 k = 0.2700 0.2700-0.0000 ( 3714 PWs) bands (ev): -38.7959 -38.7959 -38.7452 -38.7452 -38.7356 -38.7356 -17.8311 -17.8311 -17.8152 -17.8152 -17.7011 -17.7011 -17.3589 -17.3589 -17.3464 -17.3464 -17.2976 -17.2976 -17.2356 -17.2356 -17.1576 -17.1576 -17.0697 -17.0697 -3.6653 -3.6653 -3.6635 -3.6635 -3.2074 -3.2074 -3.2043 -3.2043 -3.2014 -3.2014 0.6494 0.6494 4.4123 4.4123 7.4497 7.4497 8.1393 8.1393 8.7053 8.7053 8.8250 8.8250 9.5250 9.5250 9.8665 9.8665 10.9558 10.9558 11.0271 11.0271 12.0807 12.0807 12.2191 12.2191 12.6100 12.6100 k = 0.2600 0.2600-0.0000 ( 3716 PWs) bands (ev): -38.7975 -38.7975 -38.7443 -38.7443 -38.7350 -38.7350 -17.8326 -17.8326 -17.8166 -17.8166 -17.6980 -17.6980 -17.3585 -17.3585 -17.3458 -17.3458 -17.2991 -17.2991 -17.2388 -17.2388 -17.1529 -17.1529 -17.0692 -17.0692 -3.6655 -3.6655 -3.6637 -3.6637 -3.2074 -3.2074 -3.2045 -3.2045 -3.2018 -3.2018 0.6068 0.6068 4.3776 4.3776 7.5209 7.5209 8.2261 8.2261 8.7336 8.7336 8.8526 8.8526 9.5614 9.5614 9.8790 9.8790 10.9122 10.9122 10.9727 10.9727 12.1047 12.1047 12.2297 12.2297 12.5498 12.5498 k = 0.2500 0.2500-0.0000 ( 3708 PWs) bands (ev): -38.7991 -38.7991 -38.7433 -38.7433 -38.7344 -38.7344 -17.8342 -17.8342 -17.8181 -17.8181 -17.6949 -17.6949 -17.3580 -17.3580 -17.3452 -17.3452 -17.3007 -17.3007 -17.2417 -17.2417 -17.1479 -17.1479 -17.0685 -17.0685 -3.6656 -3.6656 -3.6639 -3.6639 -3.2074 -3.2074 -3.2046 -3.2046 -3.2021 -3.2021 0.5646 0.5646 4.3432 4.3432 7.5938 7.5938 8.3078 8.3078 8.7623 8.7623 8.8889 8.8889 9.5984 9.5984 9.8923 9.8923 10.8695 10.8695 10.9191 10.9191 12.1288 12.1288 12.2397 12.2397 12.4898 12.4898 k = 0.2400 0.2400-0.0000 ( 3716 PWs) bands (ev): -38.8007 -38.8007 -38.7423 -38.7423 -38.7339 -38.7339 -17.8357 -17.8357 -17.8198 -17.8198 -17.6921 -17.6921 -17.3575 -17.3575 -17.3446 -17.3446 -17.3025 -17.3025 -17.2445 -17.2445 -17.1429 -17.1429 -17.0678 -17.0678 -3.6658 -3.6658 -3.6641 -3.6641 -3.2075 -3.2075 -3.2049 -3.2049 -3.2025 -3.2025 0.5227 0.5227 4.3091 4.3091 7.6683 7.6683 8.3833 8.3833 8.7912 8.7912 8.9346 8.9346 9.6358 9.6358 9.9063 9.9063 10.8276 10.8276 10.8662 10.8662 12.1528 12.1528 12.2491 12.2491 12.4311 12.4311 k = 0.2300 0.2300-0.0000 ( 3712 PWs) bands (ev): -38.8022 -38.8022 -38.7413 -38.7413 -38.7334 -38.7334 -17.8373 -17.8373 -17.8215 -17.8215 -17.6895 -17.6895 -17.3569 -17.3569 -17.3441 -17.3441 -17.3044 -17.3044 -17.2469 -17.2469 -17.1377 -17.1377 -17.0671 -17.0671 -3.6660 -3.6660 -3.6642 -3.6642 -3.2075 -3.2075 -3.2051 -3.2051 -3.2028 -3.2028 0.4815 0.4815 4.2756 4.2756 7.7444 7.7444 8.4518 8.4518 8.8204 8.8204 8.9900 8.9900 9.6733 9.6733 9.9211 9.9211 10.7868 10.7868 10.8142 10.8142 12.1767 12.1767 12.2580 12.2580 12.3747 12.3747 k = 0.2200 0.2200-0.0000 ( 3708 PWs) bands (ev): -38.8037 -38.8037 -38.7404 -38.7404 -38.7328 -38.7328 -17.8387 -17.8387 -17.8234 -17.8234 -17.6870 -17.6870 -17.3562 -17.3562 -17.3437 -17.3437 -17.3065 -17.3065 -17.2490 -17.2490 -17.1325 -17.1325 -17.0663 -17.0663 -3.6661 -3.6661 -3.6644 -3.6644 -3.2076 -3.2076 -3.2053 -3.2053 -3.2032 -3.2032 0.4410 0.4410 4.2427 4.2427 7.8216 7.8216 8.5133 8.5133 8.8495 8.8495 9.0545 9.0545 9.7106 9.7106 9.9367 9.9367 10.7472 10.7472 10.7631 10.7631 12.1999 12.1999 12.2659 12.2659 12.3221 12.3221 k = 0.2100 0.2100-0.0000 ( 3715 PWs) bands (ev): -38.8052 -38.8052 -38.7394 -38.7394 -38.7324 -38.7324 -17.8402 -17.8402 -17.8253 -17.8253 -17.6848 -17.6848 -17.3554 -17.3554 -17.3433 -17.3433 -17.3088 -17.3088 -17.2508 -17.2508 -17.1272 -17.1272 -17.0654 -17.0654 -3.6663 -3.6663 -3.6647 -3.6647 -3.2076 -3.2076 -3.2055 -3.2055 -3.2035 -3.2035 0.4013 0.4013 4.2104 4.2104 7.8998 7.8998 8.5685 8.5685 8.8786 8.8786 9.1271 9.1271 9.7474 9.7474 9.9531 9.9531 10.7087 10.7087 10.7130 10.7130 12.2205 12.2205 12.2650 12.2650 12.2841 12.2841 k = 0.2000 0.2000-0.0000 ( 3717 PWs) bands (ev): -38.8066 -38.8066 -38.7385 -38.7385 -38.7319 -38.7319 -17.8416 -17.8416 -17.8273 -17.8273 -17.6827 -17.6827 -17.3547 -17.3547 -17.3430 -17.3430 -17.3112 -17.3112 -17.2523 -17.2523 -17.1219 -17.1219 -17.0646 -17.0646 -3.6665 -3.6665 -3.6649 -3.6649 -3.2077 -3.2077 -3.2057 -3.2057 -3.2039 -3.2039 0.3627 0.3627 4.1789 4.1789 7.9790 7.9790 8.6185 8.6185 8.9074 8.9074 9.2056 9.2056 9.7834 9.7834 9.9702 9.9702 10.6641 10.6641 10.6715 10.6715 12.2136 12.2136 12.2541 12.2541 12.2873 12.2873 k = 0.1900 0.1900-0.0000 ( 3711 PWs) bands (ev): -38.8079 -38.8079 -38.7376 -38.7376 -38.7315 -38.7315 -17.8429 -17.8429 -17.8293 -17.8293 -17.6808 -17.6808 -17.3539 -17.3539 -17.3428 -17.3428 -17.3137 -17.3137 -17.2534 -17.2534 -17.1166 -17.1166 -17.0637 -17.0637 -3.6666 -3.6666 -3.6651 -3.6651 -3.2078 -3.2078 -3.2059 -3.2059 -3.2042 -3.2042 0.3252 0.3252 4.1482 4.1482 8.0589 8.0589 8.6647 8.6647 8.9359 8.9359 9.2882 9.2882 9.8184 9.8184 9.9880 9.9880 10.6165 10.6165 10.6357 10.6357 12.1766 12.1766 12.2708 12.2708 12.2979 12.2979 k = 0.1800 0.1800-0.0000 ( 3719 PWs) bands (ev): -38.8093 -38.8093 -38.7367 -38.7367 -38.7311 -38.7311 -17.8443 -17.8443 -17.8314 -17.8314 -17.6790 -17.6790 -17.3531 -17.3531 -17.3426 -17.3426 -17.3163 -17.3163 -17.2544 -17.2544 -17.1113 -17.1113 -17.0628 -17.0628 -3.6668 -3.6668 -3.6654 -3.6654 -3.2079 -3.2079 -3.2062 -3.2062 -3.2046 -3.2046 0.2889 0.2889 4.1185 4.1185 8.1393 8.1393 8.7082 8.7082 8.9638 8.9638 9.3727 9.3727 9.8518 9.8518 10.0065 10.0065 10.5701 10.5701 10.6014 10.6014 12.1417 12.1417 12.2865 12.2865 12.3129 12.3129 k = 0.1700 0.1700-0.0000 ( 3725 PWs) bands (ev): -38.8105 -38.8105 -38.7358 -38.7358 -38.7307 -38.7307 -17.8456 -17.8456 -17.8335 -17.8335 -17.6775 -17.6775 -17.3523 -17.3523 -17.3425 -17.3425 -17.3188 -17.3188 -17.2551 -17.2551 -17.1061 -17.1061 -17.0619 -17.0619 -3.6670 -3.6670 -3.6656 -3.6656 -3.2079 -3.2079 -3.2064 -3.2064 -3.2050 -3.2050 0.2540 0.2540 4.0898 4.0898 8.2199 8.2199 8.7499 8.7499 8.9911 8.9911 9.4575 9.4575 9.8831 9.8831 10.0256 10.0256 10.5253 10.5253 10.5685 10.5685 12.1124 12.1124 12.2988 12.2988 12.3322 12.3322 k = 0.1600 0.1600-0.0000 ( 3723 PWs) bands (ev): -38.8117 -38.8117 -38.7350 -38.7350 -38.7304 -38.7304 -17.8468 -17.8468 -17.8356 -17.8356 -17.6761 -17.6761 -17.3515 -17.3515 -17.3424 -17.3424 -17.3214 -17.3214 -17.2555 -17.2555 -17.1009 -17.1009 -17.0610 -17.0610 -3.6671 -3.6671 -3.6658 -3.6658 -3.2080 -3.2080 -3.2066 -3.2066 -3.2053 -3.2053 0.2205 0.2205 4.0622 4.0622 8.3006 8.3006 8.7905 8.7905 9.0176 9.0176 9.5408 9.5408 9.9121 9.9121 10.0453 10.0453 10.4822 10.4822 10.5373 10.5373 12.0898 12.0898 12.3100 12.3100 12.3537 12.3537 k = 0.1500 0.1500-0.0000 ( 3715 PWs) bands (ev): -38.8129 -38.8129 -38.7342 -38.7342 -38.7300 -38.7300 -17.8480 -17.8480 -17.8377 -17.8377 -17.6749 -17.6749 -17.3507 -17.3507 -17.3423 -17.3423 -17.3238 -17.3238 -17.2558 -17.2558 -17.0959 -17.0959 -17.0602 -17.0602 -3.6672 -3.6672 -3.6661 -3.6661 -3.2080 -3.2080 -3.2068 -3.2068 -3.2056 -3.2056 0.1886 0.1886 4.0359 4.0359 8.3812 8.3812 8.8304 8.8304 9.0433 9.0433 9.6211 9.6211 9.9383 9.9383 10.0654 10.0654 10.4410 10.4410 10.5076 10.5076 12.0748 12.0748 12.3215 12.3215 12.3759 12.3759 k = 0.1400 0.1400-0.0000 ( 3719 PWs) bands (ev): -38.8140 -38.8140 -38.7334 -38.7334 -38.7297 -38.7297 -17.8491 -17.8491 -17.8398 -17.8398 -17.6738 -17.6738 -17.3499 -17.3499 -17.3424 -17.3424 -17.3262 -17.3262 -17.2559 -17.2559 -17.0910 -17.0910 -17.0594 -17.0594 -3.6674 -3.6674 -3.6663 -3.6663 -3.2081 -3.2081 -3.2070 -3.2070 -3.2060 -3.2060 0.1583 0.1583 4.0107 4.0107 8.4612 8.4612 8.8696 8.8696 9.0678 9.0678 9.6970 9.6970 9.9611 9.9611 10.0857 10.0857 10.4019 10.4019 10.4796 10.4796 12.0679 12.0679 12.3342 12.3342 12.3983 12.3983 k = 0.1300 0.1300-0.0000 ( 3727 PWs) bands (ev): -38.8150 -38.8150 -38.7327 -38.7327 -38.7295 -38.7295 -17.8502 -17.8502 -17.8418 -17.8418 -17.6728 -17.6728 -17.3492 -17.3492 -17.3424 -17.3424 -17.3286 -17.3286 -17.2559 -17.2559 -17.0863 -17.0863 -17.0586 -17.0586 -3.6675 -3.6675 -3.6666 -3.6666 -3.2082 -3.2082 -3.2073 -3.2073 -3.2063 -3.2063 0.1297 0.1297 3.9870 3.9870 8.5405 8.5405 8.9083 8.9083 9.0910 9.0910 9.7669 9.7669 9.9802 9.9802 10.1062 10.1062 10.3655 10.3655 10.4533 10.4533 12.0698 12.0698 12.3488 12.3488 12.4207 12.4207 k = 0.1200 0.1200-0.0000 ( 3731 PWs) bands (ev): -38.8160 -38.8160 -38.7320 -38.7320 -38.7292 -38.7292 -17.8512 -17.8512 -17.8438 -17.8438 -17.6720 -17.6720 -17.3485 -17.3485 -17.3425 -17.3425 -17.3307 -17.3307 -17.2558 -17.2558 -17.0819 -17.0819 -17.0578 -17.0578 -3.6676 -3.6676 -3.6668 -3.6668 -3.2082 -3.2082 -3.2075 -3.2075 -3.2067 -3.2067 0.1029 0.1029 3.9647 3.9647 8.6188 8.6188 8.9465 8.9465 9.1130 9.1130 9.8294 9.8294 9.9953 9.9953 10.1268 10.1268 10.3324 10.3324 10.4289 10.4289 12.0810 12.0810 12.3655 12.3655 12.4432 12.4432 k = 0.1100 0.1100-0.0000 ( 3749 PWs) bands (ev): -38.8169 -38.8169 -38.7313 -38.7313 -38.7290 -38.7290 -17.8521 -17.8521 -17.8458 -17.8458 -17.6713 -17.6713 -17.3479 -17.3479 -17.3426 -17.3426 -17.3329 -17.3329 -17.2556 -17.2556 -17.0776 -17.0776 -17.0571 -17.0571 -3.6678 -3.6678 -3.6672 -3.6672 -3.2083 -3.2083 -3.2078 -3.2078 -3.2071 -3.2071 0.0780 0.0780 3.9439 3.9439 8.6956 8.6956 8.9840 8.9840 9.1336 9.1336 9.8831 9.8831 10.0061 10.0061 10.1470 10.1470 10.3034 10.3034 10.4060 10.4060 12.1017 12.1017 12.3845 12.3845 12.4656 12.4656 k = 0.1000 0.1000-0.0000 ( 3745 PWs) bands (ev): -38.8177 -38.8177 -38.7307 -38.7307 -38.7288 -38.7288 -17.8530 -17.8530 -17.8476 -17.8476 -17.6707 -17.6707 -17.3473 -17.3473 -17.3427 -17.3427 -17.3347 -17.3347 -17.2554 -17.2554 -17.0736 -17.0736 -17.0565 -17.0565 -3.6679 -3.6679 -3.6673 -3.6673 -3.2084 -3.2084 -3.2079 -3.2079 -3.2073 -3.2073 0.0551 0.0551 3.9247 3.9247 8.7706 8.7706 9.0206 9.0206 9.1527 9.1527 9.9263 9.9263 10.0124 10.0124 10.1669 10.1669 10.2799 10.2799 10.3852 10.3852 12.1317 12.1317 12.4061 12.4061 12.4882 12.4882 k = 0.0900 0.0900-0.0000 ( 3749 PWs) bands (ev): -38.8185 -38.8185 -38.7302 -38.7302 -38.7286 -38.7286 -17.8538 -17.8538 -17.8493 -17.8493 -17.6702 -17.6702 -17.3467 -17.3467 -17.3428 -17.3428 -17.3365 -17.3365 -17.2551 -17.2551 -17.0699 -17.0699 -17.0559 -17.0559 -3.6680 -3.6680 -3.6675 -3.6675 -3.2085 -3.2085 -3.2081 -3.2081 -3.2076 -3.2076 0.0341 0.0341 3.9072 3.9072 8.8433 8.8433 9.0560 9.0560 9.1702 9.1702 9.9575 9.9575 10.0142 10.0142 10.1861 10.1861 10.2632 10.2632 10.3662 10.3662 12.1706 12.1706 12.4302 12.4302 12.5110 12.5110 k = 0.0800 0.0800-0.0000 ( 3755 PWs) bands (ev): -38.8192 -38.8192 -38.7297 -38.7297 -38.7284 -38.7284 -17.8545 -17.8545 -17.8509 -17.8509 -17.6697 -17.6697 -17.3462 -17.3462 -17.3429 -17.3429 -17.3380 -17.3380 -17.2548 -17.2548 -17.0665 -17.0665 -17.0553 -17.0553 -3.6681 -3.6681 -3.6678 -3.6678 -3.2085 -3.2085 -3.2083 -3.2083 -3.2079 -3.2079 0.0152 0.0152 3.8913 3.8913 8.9131 8.9131 9.0900 9.0900 9.1860 9.1860 9.9759 9.9759 10.0116 10.0116 10.2043 10.2043 10.2542 10.2542 10.3492 10.3492 12.2176 12.2176 12.4564 12.4564 12.5341 12.5341 k = 0.0700 0.0700-0.0000 ( 3743 PWs) bands (ev): -38.8198 -38.8198 -38.7292 -38.7292 -38.7282 -38.7282 -17.8551 -17.8551 -17.8523 -17.8523 -17.6693 -17.6693 -17.3457 -17.3457 -17.3430 -17.3430 -17.3394 -17.3394 -17.2545 -17.2545 -17.0635 -17.0635 -17.0548 -17.0548 -3.6681 -3.6681 -3.6679 -3.6679 -3.2085 -3.2085 -3.2083 -3.2083 -3.2080 -3.2080 -0.0016 -0.0016 3.8772 3.8772 8.9794 8.9794 9.1220 9.1220 9.2002 9.2002 9.9825 9.9825 10.0053 10.0053 10.2214 10.2214 10.2527 10.2527 10.3342 10.3342 12.2713 12.2713 12.4843 12.4843 12.5576 12.5576 k = 0.0600 0.0600-0.0000 ( 3743 PWs) bands (ev): -38.8203 -38.8203 -38.7288 -38.7288 -38.7281 -38.7281 -17.8556 -17.8556 -17.8535 -17.8535 -17.6690 -17.6690 -17.3453 -17.3453 -17.3431 -17.3431 -17.3406 -17.3406 -17.2542 -17.2542 -17.0608 -17.0608 -17.0544 -17.0544 -3.6682 -3.6682 -3.6680 -3.6680 -3.2086 -3.2086 -3.2084 -3.2084 -3.2083 -3.2083 -0.0162 -0.0162 3.8649 3.8649 9.0412 9.0412 9.1516 9.1516 9.2126 9.2126 9.9800 9.9800 9.9955 9.9955 10.2369 10.2369 10.2565 10.2565 10.3211 10.3211 12.3294 12.3294 12.5136 12.5136 12.5815 12.5815 k = 0.0500 0.0500-0.0000 ( 3747 PWs) bands (ev): -38.8207 -38.8207 -38.7285 -38.7285 -38.7280 -38.7280 -17.8561 -17.8561 -17.8546 -17.8546 -17.6688 -17.6688 -17.3450 -17.3450 -17.3432 -17.3432 -17.3415 -17.3415 -17.2539 -17.2539 -17.0585 -17.0585 -17.0540 -17.0540 -3.6683 -3.6683 -3.6681 -3.6681 -3.2086 -3.2086 -3.2085 -3.2085 -3.2084 -3.2084 -0.0286 -0.0286 3.8544 3.8544 9.0975 9.0975 9.1782 9.1782 9.2232 9.2232 9.9720 9.9720 9.9833 9.9833 10.2507 10.2507 10.2630 10.2630 10.3099 10.3099 12.3890 12.3890 12.5439 12.5439 12.6055 12.6055 k = 0.0400 0.0400-0.0000 ( 3747 PWs) bands (ev): -38.8211 -38.8211 -38.7282 -38.7282 -38.7279 -38.7279 -17.8564 -17.8564 -17.8555 -17.8555 -17.6686 -17.6686 -17.3447 -17.3447 -17.3433 -17.3433 -17.3423 -17.3423 -17.2537 -17.2537 -17.0566 -17.0566 -17.0537 -17.0537 -3.6683 -3.6683 -3.6683 -3.6683 -3.2087 -3.2087 -3.2086 -3.2086 -3.2086 -3.2086 -0.0388 -0.0388 3.8458 3.8458 9.1469 9.1469 9.2012 9.2012 9.2322 9.2322 9.9616 9.9616 9.9699 9.9699 10.2625 10.2625 10.2699 10.2699 10.3008 10.3008 12.4456 12.4456 12.5757 12.5757 12.6289 12.6289 k = 0.0300 0.0300-0.0000 ( 3743 PWs) bands (ev): -38.8214 -38.8214 -38.7280 -38.7280 -38.7278 -38.7278 -17.8567 -17.8567 -17.8562 -17.8562 -17.6685 -17.6685 -17.3446 -17.3446 -17.3434 -17.3434 -17.3429 -17.3429 -17.2535 -17.2535 -17.0551 -17.0551 -17.0535 -17.0535 -3.6684 -3.6684 -3.6683 -3.6683 -3.2087 -3.2087 -3.2087 -3.2087 -3.2086 -3.2086 -0.0468 -0.0468 3.8391 3.8391 9.1878 9.1878 9.2197 9.2197 9.2398 9.2398 9.9513 9.9513 9.9568 9.9568 10.2720 10.2720 10.2761 10.2761 10.2937 10.2937 12.4932 12.4932 12.6098 12.6098 12.6505 12.6505 k = 0.0200 0.0200-0.0000 ( 3743 PWs) bands (ev): -38.8216 -38.8216 -38.7279 -38.7279 -38.7278 -38.7278 -17.8569 -17.8569 -17.8567 -17.8567 -17.6684 -17.6684 -17.3446 -17.3446 -17.3434 -17.3434 -17.3432 -17.3432 -17.2534 -17.2534 -17.0540 -17.0540 -17.0533 -17.0533 -3.6684 -3.6684 -3.6684 -3.6684 -3.2088 -3.2088 -3.2088 -3.2088 -3.2086 -3.2086 -0.0525 -0.0525 3.8343 3.8343 9.2182 9.2182 9.2327 9.2327 9.2466 9.2466 9.9428 9.9428 9.9456 9.9456 10.2789 10.2789 10.2807 10.2807 10.2886 10.2886 12.5268 12.5268 12.6448 12.6448 12.6683 12.6683 k = 0.0100 0.0100-0.0000 ( 3743 PWs) bands (ev): -38.8217 -38.8217 -38.7278 -38.7278 -38.7278 -38.7278 -17.8571 -17.8571 -17.8570 -17.8570 -17.6683 -17.6683 -17.3446 -17.3446 -17.3434 -17.3434 -17.3434 -17.3434 -17.2533 -17.2533 -17.0534 -17.0534 -17.0532 -17.0532 -3.6684 -3.6684 -3.6684 -3.6684 -3.2088 -3.2088 -3.2088 -3.2088 -3.2086 -3.2086 -0.0559 -0.0559 3.8314 3.8314 9.2361 9.2361 9.2396 9.2396 9.2531 9.2531 9.9373 9.9373 9.9380 9.9380 10.2831 10.2831 10.2836 10.2836 10.2856 10.2856 12.5458 12.5458 12.6732 12.6732 12.6802 12.6802 k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -38.8218 -38.8218 -38.7277 -38.7277 -38.7277 -38.7277 -17.8571 -17.8571 -17.8571 -17.8571 -17.6683 -17.6683 -17.3446 -17.3446 -17.3434 -17.3434 -17.3434 -17.3434 -17.2533 -17.2533 -17.0532 -17.0532 -17.0532 -17.0532 -3.6684 -3.6684 -3.6684 -3.6684 -3.2088 -3.2088 -3.2088 -3.2088 -3.2086 -3.2086 -0.0571 -0.0571 3.8304 3.8304 9.2415 9.2415 9.2415 9.2415 9.2563 9.2563 9.9353 9.9353 9.9353 9.9353 10.2844 10.2844 10.2844 10.2844 10.2848 10.2848 12.5519 12.5519 12.6844 12.6844 12.6844 12.6844 k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -38.8218 -38.8218 -38.7277 -38.7277 -38.7277 -38.7277 -17.8571 -17.8571 -17.8571 -17.8571 -17.6683 -17.6683 -17.3446 -17.3446 -17.3434 -17.3434 -17.3434 -17.3434 -17.2533 -17.2533 -17.0532 -17.0532 -17.0532 -17.0532 -3.6684 -3.6684 -3.6684 -3.6684 -3.2088 -3.2088 -3.2088 -3.2088 -3.2086 -3.2086 -0.0571 -0.0571 3.8304 3.8304 9.2415 9.2415 9.2415 9.2415 9.2563 9.2563 9.9353 9.9353 9.9353 9.9353 10.2844 10.2844 10.2844 10.2844 10.2848 10.2848 12.5519 12.5519 12.6844 12.6844 12.6844 12.6844 k = 0.0082 0.0082 0.0082 ( 3743 PWs) bands (ev): -38.8217 -38.8217 -38.7278 -38.7278 -38.7278 -38.7278 -17.8571 -17.8571 -17.8570 -17.8570 -17.6683 -17.6683 -17.3446 -17.3446 -17.3434 -17.3434 -17.3434 -17.3434 -17.2533 -17.2533 -17.0534 -17.0534 -17.0532 -17.0532 -3.6684 -3.6684 -3.6684 -3.6684 -3.2088 -3.2088 -3.2088 -3.2088 -3.2086 -3.2086 -0.0559 -0.0559 3.8314 3.8314 9.2367 9.2367 9.2390 9.2390 9.2529 9.2529 9.9376 9.9376 9.9377 9.9377 10.2824 10.2824 10.2848 10.2848 10.2850 10.2850 12.5458 12.5458 12.6733 12.6733 12.6800 12.6800 k = 0.0164 0.0164 0.0164 ( 3743 PWs) bands (ev): -38.8216 -38.8216 -38.7278 -38.7278 -38.7278 -38.7278 -17.8569 -17.8569 -17.8567 -17.8567 -17.6684 -17.6684 -17.3446 -17.3446 -17.3434 -17.3434 -17.3433 -17.3433 -17.2534 -17.2534 -17.0541 -17.0541 -17.0533 -17.0533 -3.6684 -3.6684 -3.6684 -3.6684 -3.2088 -3.2088 -3.2088 -3.2088 -3.2086 -3.2086 -0.0525 -0.0525 3.8343 3.8343 9.2226 9.2226 9.2288 9.2288 9.2458 9.2458 9.9442 9.9442 9.9444 9.9444 10.2761 10.2761 10.2860 10.2860 10.2861 10.2861 12.5271 12.5271 12.6450 12.6450 12.6676 12.6676 k = 0.0246 0.0246 0.0246 ( 3743 PWs) bands (ev): -38.8214 -38.8214 -38.7279 -38.7279 -38.7279 -38.7279 -17.8567 -17.8567 -17.8562 -17.8562 -17.6685 -17.6685 -17.3446 -17.3446 -17.3432 -17.3432 -17.3431 -17.3431 -17.2535 -17.2535 -17.0552 -17.0552 -17.0534 -17.0534 -3.6684 -3.6684 -3.6683 -3.6683 -3.2087 -3.2087 -3.2087 -3.2087 -3.2086 -3.2086 -0.0467 -0.0467 3.8392 3.8392 9.1999 9.1999 9.2077 9.2077 9.2387 9.2387 9.9541 9.9541 9.9544 9.9544 10.2653 10.2653 10.2882 10.2882 10.2883 10.2883 12.4952 12.4952 12.6099 12.6099 12.6490 12.6490 k = 0.0328 0.0328 0.0328 ( 3749 PWs) bands (ev): -38.8211 -38.8211 -38.7281 -38.7281 -38.7281 -38.7281 -17.8564 -17.8564 -17.8556 -17.8556 -17.6686 -17.6686 -17.3448 -17.3448 -17.3428 -17.3428 -17.3428 -17.3428 -17.2537 -17.2537 -17.0568 -17.0568 -17.0536 -17.0536 -3.6683 -3.6683 -3.6683 -3.6683 -3.2087 -3.2087 -3.2086 -3.2086 -3.2086 -3.2086 -0.0387 -0.0387 3.8460 3.8460 9.1695 9.1695 9.1778 9.1778 9.2308 9.2308 9.9661 9.9661 9.9664 9.9664 10.2498 10.2498 10.2915 10.2915 10.2919 10.2919 12.4508 12.4508 12.5759 12.5759 12.6264 12.6264 k = 0.0410 0.0410 0.0410 ( 3755 PWs) bands (ev): -38.8207 -38.8207 -38.7283 -38.7283 -38.7283 -38.7283 -17.8559 -17.8559 -17.8547 -17.8547 -17.6688 -17.6688 -17.3450 -17.3450 -17.3424 -17.3424 -17.3423 -17.3423 -17.2539 -17.2539 -17.0588 -17.0588 -17.0538 -17.0538 -3.6683 -3.6683 -3.6682 -3.6682 -3.2087 -3.2087 -3.2085 -3.2085 -3.2085 -3.2085 -0.0283 -0.0283 3.8547 3.8547 9.1328 9.1328 9.1411 9.1411 9.2212 9.2212 9.9784 9.9784 9.9788 9.9788 10.2292 10.2292 10.2967 10.2967 10.2974 10.2974 12.3983 12.3983 12.5454 12.5454 12.6017 12.6017 k = 0.0492 0.0492 0.0492 ( 3749 PWs) bands (ev): -38.8203 -38.8203 -38.7285 -38.7285 -38.7285 -38.7285 -17.8554 -17.8554 -17.8537 -17.8537 -17.6691 -17.6691 -17.3454 -17.3454 -17.3420 -17.3420 -17.3416 -17.3416 -17.2542 -17.2542 -17.0612 -17.0612 -17.0541 -17.0541 -3.6682 -3.6682 -3.6680 -3.6680 -3.2086 -3.2086 -3.2084 -3.2084 -3.2083 -3.2083 -0.0158 -0.0158 3.8653 3.8653 9.0907 9.0907 9.0988 9.0988 9.2099 9.2099 9.9898 9.9898 9.9899 9.9899 10.2033 10.2033 10.3045 10.3045 10.3053 10.3053 12.3430 12.3430 12.5182 12.5182 12.5766 12.5766 k = 0.0574 0.0574 0.0574 ( 3743 PWs) bands (ev): -38.8197 -38.8197 -38.7287 -38.7287 -38.7287 -38.7287 -17.8548 -17.8548 -17.8525 -17.8525 -17.6693 -17.6693 -17.3459 -17.3459 -17.3414 -17.3414 -17.3408 -17.3408 -17.2544 -17.2544 -17.0639 -17.0639 -17.0544 -17.0544 -3.6681 -3.6681 -3.6679 -3.6679 -3.2085 -3.2085 -3.2082 -3.2082 -3.2081 -3.2081 -0.0010 -0.0010 3.8778 3.8778 9.0441 9.0441 9.0520 9.0520 9.1966 9.1966 9.9984 9.9984 9.9986 9.9986 10.1716 10.1716 10.3153 10.3153 10.3163 10.3163 12.2888 12.2888 12.4938 12.4938 12.5523 12.5523 k = 0.0656 0.0656 0.0656 ( 3743 PWs) bands (ev): -38.8191 -38.8191 -38.7290 -38.7290 -38.7290 -38.7290 -17.8542 -17.8542 -17.8511 -17.8511 -17.6697 -17.6697 -17.3465 -17.3465 -17.3408 -17.3408 -17.3399 -17.3399 -17.2547 -17.2547 -17.0671 -17.0671 -17.0548 -17.0548 -3.6680 -3.6680 -3.6677 -3.6677 -3.2085 -3.2085 -3.2081 -3.2081 -3.2079 -3.2079 0.0161 0.0161 3.8921 3.8921 8.9938 8.9938 9.0016 9.0016 9.1814 9.1814 10.0029 10.0029 10.0038 10.0038 10.1340 10.1340 10.3297 10.3297 10.3308 10.3308 12.2386 12.2386 12.4722 12.4722 12.5298 12.5298 k = 0.0738 0.0738 0.0738 ( 3749 PWs) bands (ev): -38.8184 -38.8184 -38.7294 -38.7294 -38.7294 -38.7294 -17.8535 -17.8535 -17.8496 -17.8496 -17.6702 -17.6702 -17.3471 -17.3471 -17.3401 -17.3401 -17.3389 -17.3389 -17.2550 -17.2550 -17.0706 -17.0706 -17.0552 -17.0552 -3.6680 -3.6680 -3.6676 -3.6676 -3.2085 -3.2085 -3.2080 -3.2080 -3.2077 -3.2077 0.0352 0.0352 3.9082 3.9082 8.9405 8.9405 8.9481 8.9481 9.1643 9.1643 10.0028 10.0028 10.0047 10.0047 10.0905 10.0905 10.3479 10.3479 10.3490 10.3490 12.1941 12.1941 12.4536 12.4536 12.5097 12.5097 k = 0.0820 0.0820 0.0820 ( 3737 PWs) bands (ev): -38.8177 -38.8177 -38.7298 -38.7298 -38.7298 -38.7298 -17.8527 -17.8527 -17.8479 -17.8479 -17.6707 -17.6707 -17.3479 -17.3479 -17.3392 -17.3392 -17.3378 -17.3378 -17.2552 -17.2552 -17.0744 -17.0744 -17.0556 -17.0556 -3.6678 -3.6678 -3.6673 -3.6673 -3.2084 -3.2084 -3.2077 -3.2077 -3.2074 -3.2074 0.0566 0.0566 3.9262 3.9262 8.8847 8.8847 8.8922 8.8922 9.1450 9.1450 9.9976 9.9976 10.0012 10.0012 10.0415 10.0415 10.3698 10.3698 10.3710 10.3710 12.1565 12.1565 12.4383 12.4383 12.4925 12.4925 k = 0.0902 0.0902 0.0902 ( 3725 PWs) bands (ev): -38.8169 -38.8169 -38.7302 -38.7302 -38.7302 -38.7302 -17.8519 -17.8519 -17.8461 -17.8461 -17.6713 -17.6713 -17.3487 -17.3487 -17.3382 -17.3382 -17.3366 -17.3366 -17.2553 -17.2553 -17.0785 -17.0785 -17.0560 -17.0560 -3.6677 -3.6677 -3.6671 -3.6671 -3.2083 -3.2083 -3.2075 -3.2075 -3.2071 -3.2071 0.0802 0.0802 3.9459 3.9459 8.8269 8.8269 8.8343 8.8343 9.1237 9.1237 9.9799 9.9799 9.9933 9.9933 9.9949 9.9949 10.3952 10.3952 10.3962 10.3962 12.1262 12.1262 12.4264 12.4264 12.4785 12.4785 k = 0.0984 0.0984 0.0984 ( 3743 PWs) bands (ev): -38.8159 -38.8159 -38.7306 -38.7306 -38.7306 -38.7306 -17.8511 -17.8511 -17.8443 -17.8443 -17.6721 -17.6721 -17.3497 -17.3497 -17.3371 -17.3371 -17.3355 -17.3355 -17.2554 -17.2554 -17.0829 -17.0829 -17.0565 -17.0565 -3.6676 -3.6676 -3.6669 -3.6669 -3.2084 -3.2084 -3.2073 -3.2073 -3.2069 -3.2069 0.1056 0.1056 3.9672 3.9672 8.7673 8.7673 8.7746 8.7746 9.0999 9.0999 9.9239 9.9239 9.9772 9.9772 9.9812 9.9812 10.4235 10.4235 10.4244 10.4244 12.1035 12.1035 12.4179 12.4179 12.4678 12.4678 k = 0.1066 0.1066 0.1066 ( 3731 PWs) bands (ev): -38.8150 -38.8150 -38.7311 -38.7311 -38.7311 -38.7311 -17.8502 -17.8502 -17.8423 -17.8423 -17.6729 -17.6729 -17.3507 -17.3507 -17.3358 -17.3358 -17.3344 -17.3344 -17.2553 -17.2553 -17.0874 -17.0874 -17.0571 -17.0571 -3.6675 -3.6675 -3.6666 -3.6666 -3.2083 -3.2083 -3.2070 -3.2070 -3.2066 -3.2066 0.1332 0.1332 3.9902 3.9902 8.7064 8.7064 8.7136 8.7136 9.0735 9.0735 9.8604 9.8604 9.9598 9.9598 9.9656 9.9656 10.4544 10.4544 10.4552 10.4552 12.0882 12.0882 12.4128 12.4128 12.4606 12.4606 k = 0.1148 0.1148 0.1148 ( 3725 PWs) bands (ev): -38.8139 -38.8139 -38.7316 -38.7316 -38.7316 -38.7316 -17.8493 -17.8493 -17.8403 -17.8403 -17.6739 -17.6739 -17.3518 -17.3518 -17.3345 -17.3345 -17.3332 -17.3332 -17.2551 -17.2551 -17.0921 -17.0921 -17.0575 -17.0575 -3.6674 -3.6674 -3.6664 -3.6664 -3.2082 -3.2082 -3.2067 -3.2067 -3.2063 -3.2063 0.1627 0.1627 4.0147 4.0147 8.6444 8.6444 8.6515 8.6515 9.0441 9.0441 9.7936 9.7936 9.9394 9.9394 9.9469 9.9469 10.4874 10.4874 10.4882 10.4882 12.0799 12.0799 12.4112 12.4112 12.4566 12.4566 k = 0.1230 0.1230 0.1230 ( 3722 PWs) bands (ev): -38.8128 -38.8128 -38.7321 -38.7321 -38.7321 -38.7321 -17.8484 -17.8484 -17.8382 -17.8382 -17.6751 -17.6751 -17.3529 -17.3529 -17.3330 -17.3330 -17.3322 -17.3322 -17.2548 -17.2548 -17.0969 -17.0969 -17.0581 -17.0581 -3.6672 -3.6672 -3.6661 -3.6661 -3.2082 -3.2082 -3.2065 -3.2065 -3.2059 -3.2059 0.1941 0.1941 4.0408 4.0408 8.5814 8.5814 8.5885 8.5885 9.0111 9.0111 9.7252 9.7252 9.9165 9.9165 9.9255 9.9255 10.5222 10.5222 10.5230 10.5230 12.0780 12.0780 12.4126 12.4126 12.4559 12.4559 k = 0.1311 0.1311 0.1311 ( 3716 PWs) bands (ev): -38.8117 -38.8117 -38.7327 -38.7327 -38.7327 -38.7327 -17.8475 -17.8475 -17.8361 -17.8361 -17.6764 -17.6764 -17.3542 -17.3542 -17.3313 -17.3313 -17.3312 -17.3312 -17.2543 -17.2543 -17.1018 -17.1018 -17.0586 -17.0586 -3.6671 -3.6671 -3.6658 -3.6658 -3.2081 -3.2081 -3.2062 -3.2062 -3.2056 -3.2056 0.2273 0.2273 4.0683 4.0683 8.5177 8.5177 8.5248 8.5248 8.9742 8.9742 9.6567 9.6567 9.8914 9.8914 9.9020 9.9020 10.5587 10.5587 10.5594 10.5594 12.0817 12.0817 12.4170 12.4170 12.4580 12.4580 k = 0.1393 0.1393 0.1393 ( 3710 PWs) bands (ev): -38.8105 -38.8105 -38.7333 -38.7333 -38.7333 -38.7333 -17.8467 -17.8467 -17.8339 -17.8339 -17.6779 -17.6779 -17.3555 -17.3555 -17.3304 -17.3304 -17.3295 -17.3295 -17.2536 -17.2536 -17.1067 -17.1067 -17.0592 -17.0592 -3.6669 -3.6669 -3.6656 -3.6656 -3.2080 -3.2080 -3.2060 -3.2060 -3.2052 -3.2052 0.2623 0.2623 4.0971 4.0971 8.4535 8.4535 8.4605 8.4605 8.9323 8.9323 9.5895 9.5895 9.8646 9.8646 9.8767 9.8767 10.5965 10.5965 10.5973 10.5973 12.0904 12.0904 12.4240 12.4240 12.4628 12.4628 k = 0.1475 0.1475 0.1475 ( 3713 PWs) bands (ev): -38.8092 -38.8092 -38.7339 -38.7339 -38.7339 -38.7339 -17.8459 -17.8459 -17.8318 -17.8318 -17.6796 -17.6796 -17.3569 -17.3569 -17.3297 -17.3297 -17.3276 -17.3276 -17.2527 -17.2527 -17.1115 -17.1115 -17.0597 -17.0597 -3.6668 -3.6668 -3.6654 -3.6654 -3.2080 -3.2080 -3.2057 -3.2057 -3.2049 -3.2049 0.2991 0.2991 4.1273 4.1273 8.3889 8.3889 8.3959 8.3959 8.8849 8.8849 9.5251 9.5251 9.8365 9.8365 9.8500 9.8500 10.6357 10.6357 10.6364 10.6364 12.1032 12.1032 12.4333 12.4333 12.4700 12.4700 k = 0.1557 0.1557 0.1557 ( 3713 PWs) bands (ev): -38.8079 -38.8079 -38.7346 -38.7346 -38.7346 -38.7346 -17.8451 -17.8451 -17.8297 -17.8297 -17.6815 -17.6815 -17.3584 -17.3584 -17.3293 -17.3293 -17.3255 -17.3255 -17.2515 -17.2515 -17.1162 -17.1162 -17.0603 -17.0603 -3.6666 -3.6666 -3.6651 -3.6651 -3.2080 -3.2080 -3.2055 -3.2055 -3.2045 -3.2045 0.3375 0.3375 4.1586 4.1586 8.3241 8.3241 8.3310 8.3310 8.8315 8.8315 9.4649 9.4649 9.8074 9.8074 9.8223 9.8223 10.6760 10.6760 10.6767 10.6767 12.1192 12.1192 12.4444 12.4444 12.4789 12.4789 k = 0.1639 0.1639 0.1639 ( 3713 PWs) bands (ev): -38.8065 -38.8065 -38.7352 -38.7352 -38.7352 -38.7352 -17.8444 -17.8444 -17.8276 -17.8276 -17.6836 -17.6836 -17.3600 -17.3600 -17.3290 -17.3290 -17.3233 -17.3233 -17.2501 -17.2501 -17.1208 -17.1208 -17.0608 -17.0608 -3.6665 -3.6665 -3.6649 -3.6649 -3.2079 -3.2079 -3.2052 -3.2052 -3.2042 -3.2042 0.3774 0.3774 4.1911 4.1911 8.2591 8.2591 8.2661 8.2661 8.7717 8.7717 9.4099 9.4099 9.7777 9.7777 9.7939 9.7939 10.7173 10.7173 10.7182 10.7182 12.1375 12.1375 12.4569 12.4569 12.4894 12.4894 k = 0.1721 0.1721 0.1721 ( 3689 PWs) bands (ev): -38.8051 -38.8051 -38.7359 -38.7359 -38.7359 -38.7359 -17.8437 -17.8437 -17.8255 -17.8255 -17.6860 -17.6860 -17.3616 -17.3616 -17.3289 -17.3289 -17.3208 -17.3208 -17.2484 -17.2484 -17.1251 -17.1251 -17.0612 -17.0612 -3.6662 -3.6662 -3.6646 -3.6646 -3.2078 -3.2078 -3.2049 -3.2049 -3.2037 -3.2037 0.4191 0.4191 4.2247 4.2247 8.1942 8.1942 8.2011 8.2011 8.7059 8.7059 9.3606 9.3606 9.7479 9.7479 9.7654 9.7654 10.7598 10.7598 10.7607 10.7607 12.1573 12.1573 12.4703 12.4703 12.5007 12.5007 k = 0.1803 0.1803 0.1803 ( 3689 PWs) bands (ev): -38.8036 -38.8036 -38.7366 -38.7366 -38.7366 -38.7366 -17.8431 -17.8431 -17.8236 -17.8236 -17.6886 -17.6886 -17.3633 -17.3633 -17.3291 -17.3291 -17.3182 -17.3182 -17.2465 -17.2465 -17.1292 -17.1292 -17.0617 -17.0617 -3.6661 -3.6661 -3.6644 -3.6644 -3.2078 -3.2078 -3.2046 -3.2046 -3.2034 -3.2034 0.4620 0.4620 4.2591 4.2591 8.1294 8.1294 8.1362 8.1362 8.6343 8.6343 9.3170 9.3170 9.7179 9.7179 9.7367 9.7367 10.8031 10.8031 10.8040 10.8040 12.1778 12.1778 12.4840 12.4840 12.5123 12.5123 k = 0.1885 0.1885 0.1885 ( 3692 PWs) bands (ev): -38.8021 -38.8021 -38.7374 -38.7374 -38.7374 -38.7374 -17.8426 -17.8426 -17.8218 -17.8218 -17.6915 -17.6915 -17.3650 -17.3650 -17.3296 -17.3296 -17.3155 -17.3155 -17.2444 -17.2444 -17.1329 -17.1329 -17.0621 -17.0621 -3.6660 -3.6660 -3.6642 -3.6642 -3.2078 -3.2078 -3.2044 -3.2044 -3.2031 -3.2031 0.5062 0.5062 4.2943 4.2943 8.0647 8.0647 8.0715 8.0715 8.5577 8.5577 9.2787 9.2787 9.6883 9.6883 9.7081 9.7081 10.8472 10.8472 10.8481 10.8481 12.1981 12.1981 12.4974 12.4974 12.5237 12.5237 k = 0.1967 0.1967 0.1967 ( 3698 PWs) bands (ev): -38.8006 -38.8006 -38.7381 -38.7381 -38.7381 -38.7381 -17.8423 -17.8423 -17.8200 -17.8200 -17.6946 -17.6946 -17.3669 -17.3669 -17.3303 -17.3303 -17.3126 -17.3126 -17.2422 -17.2422 -17.1362 -17.1362 -17.0625 -17.0625 -3.6659 -3.6659 -3.6640 -3.6640 -3.2078 -3.2078 -3.2042 -3.2042 -3.2028 -3.2028 0.5516 0.5516 4.3302 4.3302 8.0004 8.0004 8.0072 8.0072 8.4772 8.4772 9.2455 9.2455 9.6592 9.6592 9.6801 9.6801 10.8920 10.8920 10.8930 10.8930 12.2174 12.2174 12.5099 12.5099 12.5342 12.5342 k = 0.2049 0.2049 0.2049 ( 3698 PWs) bands (ev): -38.7991 -38.7991 -38.7389 -38.7389 -38.7389 -38.7389 -17.8419 -17.8419 -17.8184 -17.8184 -17.6981 -17.6981 -17.3688 -17.3688 -17.3313 -17.3313 -17.3095 -17.3095 -17.2398 -17.2398 -17.1390 -17.1390 -17.0629 -17.0629 -3.6657 -3.6657 -3.6638 -3.6638 -3.2078 -3.2078 -3.2040 -3.2040 -3.2025 -3.2025 0.5983 0.5983 4.3666 4.3666 7.9365 7.9365 7.9432 7.9432 8.3938 8.3938 9.2167 9.2167 9.6308 9.6308 9.6527 9.6527 10.9375 10.9375 10.9386 10.9386 12.2351 12.2351 12.5209 12.5209 12.5430 12.5430 k = 0.2131 0.2131 0.2131 ( 3695 PWs) bands (ev): -38.7975 -38.7975 -38.7396 -38.7396 -38.7396 -38.7396 -17.8417 -17.8417 -17.8169 -17.8169 -17.7018 -17.7018 -17.3708 -17.3708 -17.3324 -17.3324 -17.3062 -17.3062 -17.2374 -17.2374 -17.1413 -17.1413 -17.0632 -17.0632 -3.6656 -3.6656 -3.6637 -3.6637 -3.2078 -3.2078 -3.2037 -3.2037 -3.2022 -3.2022 0.6460 0.6460 4.4035 4.4035 7.8732 7.8732 7.8797 7.8797 8.3084 8.3084 9.1918 9.1918 9.6035 9.6035 9.6263 9.6263 10.9836 10.9836 10.9848 10.9848 12.2506 12.2506 12.5296 12.5296 12.5496 12.5496 k = 0.2213 0.2213 0.2213 ( 3698 PWs) bands (ev): -38.7959 -38.7959 -38.7404 -38.7404 -38.7404 -38.7404 -17.8416 -17.8416 -17.8155 -17.8155 -17.7058 -17.7058 -17.3729 -17.3729 -17.3336 -17.3336 -17.3028 -17.3028 -17.2349 -17.2349 -17.1430 -17.1430 -17.0634 -17.0634 -3.6655 -3.6655 -3.6635 -3.6635 -3.2079 -3.2079 -3.2035 -3.2035 -3.2019 -3.2019 0.6947 0.6947 4.4407 4.4407 7.8104 7.8104 7.8168 7.8168 8.2217 8.2217 9.1704 9.1704 9.5772 9.5772 9.6009 9.6009 11.0302 11.0302 11.0314 11.0314 12.2633 12.2633 12.5354 12.5354 12.5534 12.5534 k = 0.2295 0.2295 0.2295 ( 3698 PWs) bands (ev): -38.7943 -38.7943 -38.7412 -38.7412 -38.7412 -38.7412 -17.8416 -17.8416 -17.8143 -17.8143 -17.7100 -17.7100 -17.3751 -17.3751 -17.3350 -17.3350 -17.2992 -17.2992 -17.2325 -17.2325 -17.1441 -17.1441 -17.0636 -17.0636 -3.6653 -3.6653 -3.6634 -3.6634 -3.2079 -3.2079 -3.2033 -3.2033 -3.2016 -3.2016 0.7443 0.7443 4.4780 4.4780 7.7483 7.7483 7.7546 7.7546 8.1346 8.1346 9.1520 9.1520 9.5523 9.5523 9.5767 9.5767 11.0772 11.0772 11.0785 11.0785 12.2730 12.2730 12.5379 12.5379 12.5538 12.5538 k = 0.2377 0.2377 0.2377 ( 3704 PWs) bands (ev): -38.7927 -38.7927 -38.7420 -38.7420 -38.7420 -38.7420 -17.8417 -17.8417 -17.8132 -17.8132 -17.7145 -17.7145 -17.3775 -17.3775 -17.3365 -17.3365 -17.2955 -17.2955 -17.2301 -17.2301 -17.1445 -17.1445 -17.0638 -17.0638 -3.6653 -3.6653 -3.6633 -3.6633 -3.2080 -3.2080 -3.2031 -3.2031 -3.2014 -3.2014 0.7946 0.7946 4.5154 4.5154 7.6870 7.6870 7.6932 7.6932 8.0476 8.0476 9.1364 9.1364 9.5287 9.5287 9.5538 9.5538 11.1244 11.1244 11.1257 11.1257 12.2795 12.2795 12.5365 12.5365 12.5504 12.5504 k = 0.2459 0.2459 0.2459 ( 3695 PWs) bands (ev): -38.7910 -38.7910 -38.7428 -38.7428 -38.7428 -38.7428 -17.8420 -17.8420 -17.8122 -17.8122 -17.7192 -17.7192 -17.3799 -17.3799 -17.3380 -17.3380 -17.2917 -17.2917 -17.2279 -17.2279 -17.1443 -17.1443 -17.0639 -17.0639 -3.6651 -3.6651 -3.6632 -3.6632 -3.2081 -3.2081 -3.2029 -3.2029 -3.2011 -3.2011 0.8457 0.8457 4.5526 4.5526 7.6266 7.6266 7.6326 7.6326 7.9612 7.9612 9.1234 9.1234 9.5067 9.5067 9.5324 9.5324 11.1718 11.1718 11.1732 11.1732 12.2828 12.2828 12.5312 12.5312 12.5431 12.5431 k = 0.2541 0.2541 0.2541 ( 3689 PWs) bands (ev): -38.7894 -38.7894 -38.7436 -38.7436 -38.7436 -38.7436 -17.8423 -17.8423 -17.8114 -17.8114 -17.7241 -17.7241 -17.3825 -17.3825 -17.3394 -17.3394 -17.2878 -17.2878 -17.2258 -17.2258 -17.1434 -17.1434 -17.0639 -17.0639 -3.6650 -3.6650 -3.6630 -3.6630 -3.2082 -3.2082 -3.2026 -3.2026 -3.2008 -3.2008 0.8973 0.8973 4.5896 4.5896 7.5672 7.5672 7.5730 7.5730 7.8758 7.8758 9.1128 9.1128 9.4864 9.4864 9.5126 9.5126 11.2192 11.2192 11.2206 11.2206 12.2829 12.2829 12.5218 12.5218 12.5319 12.5319 k = 0.2623 0.2623 0.2623 ( 3695 PWs) bands (ev): -38.7878 -38.7878 -38.7443 -38.7443 -38.7443 -38.7443 -17.8428 -17.8428 -17.8108 -17.8108 -17.7293 -17.7293 -17.3852 -17.3852 -17.3408 -17.3408 -17.2837 -17.2837 -17.2240 -17.2240 -17.1418 -17.1418 -17.0639 -17.0639 -3.6649 -3.6649 -3.6630 -3.6630 -3.2083 -3.2083 -3.2024 -3.2024 -3.2007 -3.2007 0.9493 0.9493 4.6260 4.6260 7.5087 7.5087 7.5143 7.5143 7.7917 7.7917 9.1045 9.1045 9.4676 9.4676 9.4942 9.4942 11.2664 11.2664 11.2679 11.2679 12.2800 12.2800 12.5084 12.5084 12.5169 12.5169 k = 0.2705 0.2705 0.2705 ( 3707 PWs) bands (ev): -38.7862 -38.7862 -38.7451 -38.7451 -38.7451 -38.7451 -17.8435 -17.8435 -17.8103 -17.8103 -17.7346 -17.7346 -17.3881 -17.3881 -17.3422 -17.3422 -17.2796 -17.2796 -17.2223 -17.2223 -17.1397 -17.1397 -17.0638 -17.0638 -3.6649 -3.6649 -3.6630 -3.6630 -3.2085 -3.2085 -3.2023 -3.2023 -3.2005 -3.2005 1.0015 1.0015 4.6618 4.6618 7.4513 7.4513 7.4567 7.4567 7.7093 7.7093 9.0984 9.0984 9.4505 9.4505 9.4776 9.4776 11.3133 11.3133 11.3148 11.3148 12.2743 12.2743 12.4914 12.4914 12.4984 12.4984 k = 0.2787 0.2787 0.2787 ( 3710 PWs) bands (ev): -38.7846 -38.7846 -38.7459 -38.7459 -38.7459 -38.7459 -17.8442 -17.8442 -17.8100 -17.8100 -17.7400 -17.7400 -17.3911 -17.3911 -17.3434 -17.3434 -17.2755 -17.2755 -17.2207 -17.2207 -17.1370 -17.1370 -17.0636 -17.0636 -3.6649 -3.6649 -3.6629 -3.6629 -3.2087 -3.2087 -3.2022 -3.2022 -3.2003 -3.2003 1.0540 1.0540 4.6969 4.6969 7.3952 7.3952 7.4003 7.4003 7.6289 7.6289 9.0945 9.0945 9.4352 9.4352 9.4626 9.4626 11.3599 11.3599 11.3614 11.3614 12.2659 12.2659 12.4710 12.4710 12.4768 12.4768 k = 0.2869 0.2869 0.2869 ( 3701 PWs) bands (ev): -38.7830 -38.7830 -38.7467 -38.7467 -38.7467 -38.7467 -17.8451 -17.8451 -17.8098 -17.8098 -17.7455 -17.7455 -17.3943 -17.3943 -17.3445 -17.3445 -17.2712 -17.2712 -17.2193 -17.2193 -17.1337 -17.1337 -17.0633 -17.0633 -3.6648 -3.6648 -3.6629 -3.6629 -3.2088 -3.2088 -3.2019 -3.2019 -3.2001 -3.2001 1.1066 1.1066 4.7311 4.7311 7.3404 7.3404 7.3453 7.3453 7.5508 7.5508 9.0929 9.0929 9.4216 9.4216 9.4494 9.4494 11.4059 11.4059 11.4074 11.4074 12.2553 12.2553 12.4478 12.4478 12.4524 12.4524 k = 0.2951 0.2951 0.2951 ( 3695 PWs) bands (ev): -38.7814 -38.7814 -38.7475 -38.7475 -38.7475 -38.7475 -17.8462 -17.8462 -17.8097 -17.8097 -17.7511 -17.7511 -17.3975 -17.3975 -17.3454 -17.3454 -17.2670 -17.2670 -17.2181 -17.2181 -17.1301 -17.1301 -17.0630 -17.0630 -3.6647 -3.6647 -3.6628 -3.6628 -3.2090 -3.2090 -3.2017 -3.2017 -3.2000 -3.2000 1.1591 1.1591 4.7641 4.7641 7.2869 7.2869 7.2916 7.2916 7.4750 7.4750 9.0934 9.0934 9.4099 9.4099 9.4379 9.4379 11.4511 11.4511 11.4527 11.4527 12.2426 12.2426 12.4219 12.4219 12.4256 12.4256 k = 0.3033 0.3033 0.3033 ( 3695 PWs) bands (ev): -38.7798 -38.7798 -38.7482 -38.7482 -38.7482 -38.7482 -17.8474 -17.8474 -17.8098 -17.8098 -17.7566 -17.7566 -17.4008 -17.4008 -17.3462 -17.3462 -17.2627 -17.2627 -17.2169 -17.2169 -17.1261 -17.1261 -17.0626 -17.0626 -3.6647 -3.6647 -3.6628 -3.6628 -3.2091 -3.2091 -3.2015 -3.2015 -3.1998 -3.1998 1.2113 1.2113 4.7958 4.7958 7.2349 7.2349 7.2393 7.2393 7.4017 7.4017 9.0959 9.0959 9.3998 9.3998 9.4280 9.4280 11.4953 11.4953 11.4969 11.4969 12.2277 12.2277 12.3939 12.3939 12.3968 12.3968 k = 0.3115 0.3115 0.3115 ( 3707 PWs) bands (ev): -38.7783 -38.7783 -38.7489 -38.7489 -38.7489 -38.7489 -17.8489 -17.8489 -17.8100 -17.8100 -17.7621 -17.7621 -17.4042 -17.4042 -17.3469 -17.3469 -17.2585 -17.2585 -17.2159 -17.2159 -17.1218 -17.1218 -17.0621 -17.0621 -3.6646 -3.6646 -3.6629 -3.6629 -3.2094 -3.2094 -3.2014 -3.2014 -3.1998 -3.1998 1.2633 1.2633 4.8262 4.8262 7.1843 7.1843 7.1884 7.1884 7.3311 7.3311 9.1005 9.1005 9.3915 9.3915 9.4198 9.4198 11.5383 11.5383 11.5400 11.5400 12.2110 12.2110 12.3642 12.3642 12.3664 12.3664 k = 0.3197 0.3197 0.3197 ( 3710 PWs) bands (ev): -38.7768 -38.7768 -38.7497 -38.7497 -38.7497 -38.7497 -17.8505 -17.8505 -17.8103 -17.8103 -17.7676 -17.7676 -17.4076 -17.4076 -17.3474 -17.3474 -17.2544 -17.2544 -17.2149 -17.2149 -17.1173 -17.1173 -17.0616 -17.0616 -3.6646 -3.6646 -3.6630 -3.6630 -3.2096 -3.2096 -3.2013 -3.2013 -3.1997 -3.1997 1.3147 1.3147 4.8549 4.8549 7.1354 7.1354 7.1392 7.1392 7.2633 7.2633 9.1071 9.1071 9.3848 9.3848 9.4132 9.4132 11.5801 11.5801 11.5818 11.5818 12.1928 12.1928 12.3331 12.3331 12.3346 12.3346 k = 0.3279 0.3279 0.3279 ( 3710 PWs) bands (ev): -38.7753 -38.7753 -38.7504 -38.7504 -38.7504 -38.7504 -17.8522 -17.8522 -17.8107 -17.8107 -17.7729 -17.7729 -17.4110 -17.4110 -17.3478 -17.3478 -17.2502 -17.2502 -17.2140 -17.2140 -17.1126 -17.1126 -17.0609 -17.0609 -3.6646 -3.6646 -3.6630 -3.6630 -3.2098 -3.2098 -3.2011 -3.2011 -3.1996 -3.1996 1.3655 1.3655 4.8820 4.8820 7.0881 7.0881 7.0917 7.0917 7.1986 7.1986 9.1158 9.1158 9.3798 9.3798 9.4083 9.4083 11.6202 11.6202 11.6220 11.6220 12.1730 12.1730 12.3009 12.3009 12.3020 12.3020 k = 0.3361 0.3361 0.3361 ( 3710 PWs) bands (ev): -38.7739 -38.7739 -38.7511 -38.7511 -38.7511 -38.7511 -17.8542 -17.8542 -17.8112 -17.8112 -17.7780 -17.7780 -17.4144 -17.4144 -17.3482 -17.3482 -17.2462 -17.2462 -17.2131 -17.2131 -17.1079 -17.1079 -17.0603 -17.0603 -3.6646 -3.6646 -3.6631 -3.6631 -3.2101 -3.2101 -3.2010 -3.2010 -3.1996 -3.1996 1.4156 1.4156 4.9074 4.9074 7.0425 7.0425 7.0458 7.0458 7.1369 7.1369 9.1265 9.1265 9.3763 9.3763 9.4048 9.4048 11.6586 11.6586 11.6604 11.6604 12.1518 12.1518 12.2682 12.2682 12.2687 12.2687 k = 0.3443 0.3443 0.3443 ( 3710 PWs) bands (ev): -38.7725 -38.7725 -38.7517 -38.7517 -38.7517 -38.7517 -17.8563 -17.8563 -17.8118 -17.8118 -17.7829 -17.7829 -17.4177 -17.4177 -17.3484 -17.3484 -17.2423 -17.2423 -17.2122 -17.2122 -17.1031 -17.1031 -17.0595 -17.0595 -3.6645 -3.6645 -3.6632 -3.6632 -3.2103 -3.2103 -3.2009 -3.2009 -3.1995 -3.1995 1.4647 1.4647 4.9308 4.9308 6.9987 6.9987 7.0018 7.0018 7.0784 7.0784 9.1390 9.1390 9.3743 9.3743 9.4028 9.4028 11.6948 11.6948 11.6969 11.6969 12.1294 12.1294 12.2351 12.2351 12.2352 12.2352 k = 0.3525 0.3525 0.3525 ( 3707 PWs) bands (ev): -38.7712 -38.7712 -38.7524 -38.7524 -38.7524 -38.7524 -17.8587 -17.8587 -17.8124 -17.8124 -17.7875 -17.7875 -17.4210 -17.4210 -17.3485 -17.3485 -17.2384 -17.2384 -17.2113 -17.2113 -17.0983 -17.0983 -17.0587 -17.0587 -3.6645 -3.6645 -3.6632 -3.6632 -3.2105 -3.2105 -3.2007 -3.2007 -3.1995 -3.1995 1.5127 1.5127 4.9522 4.9522 6.9568 6.9568 6.9596 6.9596 7.0232 7.0232 9.1534 9.1534 9.3737 9.3737 9.4022 9.4022 11.7287 11.7287 11.7310 11.7310 12.1058 12.1058 12.2017 12.2017 12.2024 12.2024 k = 0.3607 0.3607 0.3607 ( 3701 PWs) bands (ev): -38.7699 -38.7699 -38.7530 -38.7530 -38.7530 -38.7530 -17.8612 -17.8612 -17.8131 -17.8131 -17.7918 -17.7918 -17.4241 -17.4241 -17.3485 -17.3485 -17.2347 -17.2347 -17.2105 -17.2105 -17.0935 -17.0935 -17.0579 -17.0579 -3.6645 -3.6645 -3.6633 -3.6633 -3.2107 -3.2107 -3.2005 -3.2005 -3.1994 -3.1994 1.5595 1.5595 4.9716 4.9716 6.9168 6.9168 6.9193 6.9193 6.9714 6.9714 9.1695 9.1695 9.3745 9.3745 9.4029 9.4029 11.7599 11.7599 11.7625 11.7625 12.0811 12.0811 12.1689 12.1689 12.1702 12.1702 k = 0.3689 0.3689 0.3689 ( 3701 PWs) bands (ev): -38.7687 -38.7687 -38.7536 -38.7536 -38.7536 -38.7536 -17.8638 -17.8638 -17.8138 -17.8138 -17.7958 -17.7958 -17.4272 -17.4272 -17.3485 -17.3485 -17.2311 -17.2311 -17.2097 -17.2097 -17.0888 -17.0888 -17.0570 -17.0570 -3.6645 -3.6645 -3.6634 -3.6634 -3.2109 -3.2109 -3.2004 -3.2004 -3.1994 -3.1994 1.6048 1.6048 4.9890 4.9890 6.8787 6.8787 6.8810 6.8810 6.9229 6.9229 9.1870 9.1870 9.3764 9.3764 9.4047 9.4047 11.7879 11.7879 11.7909 11.7909 12.0556 12.0556 12.1371 12.1371 12.1392 12.1392 k = 0.3770 0.3770 0.3770 ( 3701 PWs) bands (ev): -38.7675 -38.7675 -38.7541 -38.7541 -38.7541 -38.7541 -17.8667 -17.8667 -17.8145 -17.8145 -17.7995 -17.7995 -17.4301 -17.4301 -17.3485 -17.3485 -17.2278 -17.2278 -17.2089 -17.2089 -17.0842 -17.0842 -17.0561 -17.0561 -3.6645 -3.6645 -3.6635 -3.6635 -3.2112 -3.2112 -3.2003 -3.2003 -3.1994 -3.1994 1.6485 1.6485 5.0044 5.0044 6.8427 6.8427 6.8447 6.8447 6.8777 6.8777 9.2059 9.2059 9.3794 9.3794 9.4075 9.4075 11.8120 11.8120 11.8158 11.8158 12.0293 12.0293 12.1071 12.1071 12.1102 12.1102 k = 0.3852 0.3852 0.3852 ( 3698 PWs) bands (ev): -38.7664 -38.7664 -38.7547 -38.7547 -38.7547 -38.7547 -17.8696 -17.8696 -17.8153 -17.8153 -17.8028 -17.8028 -17.4329 -17.4329 -17.3484 -17.3484 -17.2246 -17.2246 -17.2082 -17.2082 -17.0798 -17.0798 -17.0551 -17.0551 -3.6645 -3.6645 -3.6636 -3.6636 -3.2114 -3.2114 -3.2002 -3.2002 -3.1994 -3.1994 1.6905 1.6905 5.0177 5.0177 6.8088 6.8088 6.8105 6.8105 6.8360 6.8360 9.2260 9.2260 9.3834 9.3834 9.4112 9.4112 11.8313 11.8313 11.8362 11.8362 12.0025 12.0025 12.0800 12.0800 12.0843 12.0843 k = 0.3934 0.3934 0.3934 ( 3707 PWs) bands (ev): -38.7654 -38.7654 -38.7552 -38.7552 -38.7552 -38.7552 -17.8726 -17.8726 -17.8161 -17.8161 -17.8058 -17.8058 -17.4356 -17.4356 -17.3483 -17.3483 -17.2216 -17.2216 -17.2075 -17.2075 -17.0756 -17.0756 -17.0542 -17.0542 -3.6645 -3.6645 -3.6638 -3.6638 -3.2117 -3.2117 -3.2002 -3.2002 -3.1994 -3.1994 1.7306 1.7306 5.0290 5.0290 6.7769 6.7769 6.7784 6.7784 6.7976 6.7976 9.2470 9.2470 9.3881 9.3881 9.4156 9.4156 11.8446 11.8446 11.8509 11.8509 11.9753 11.9753 12.0571 12.0571 12.0629 12.0629 k = 0.4016 0.4016 0.4016 ( 3707 PWs) bands (ev): -38.7644 -38.7644 -38.7557 -38.7557 -38.7557 -38.7557 -17.8756 -17.8756 -17.8168 -17.8168 -17.8085 -17.8085 -17.4381 -17.4381 -17.3481 -17.3481 -17.2188 -17.2188 -17.2068 -17.2068 -17.0716 -17.0716 -17.0533 -17.0533 -3.6645 -3.6645 -3.6639 -3.6639 -3.2119 -3.2119 -3.2001 -3.2001 -3.1994 -3.1994 1.7685 1.7685 5.0386 5.0386 6.7473 6.7473 6.7485 6.7485 6.7625 6.7625 9.2685 9.2685 9.3936 9.3936 9.4207 9.4207 11.8506 11.8506 11.8585 11.8585 11.9480 11.9480 12.0401 12.0401 12.0476 12.0476 k = 0.4098 0.4098 0.4098 ( 3689 PWs) bands (ev): -38.7635 -38.7635 -38.7561 -38.7561 -38.7561 -38.7561 -17.8785 -17.8785 -17.8175 -17.8175 -17.8109 -17.8109 -17.4404 -17.4404 -17.3479 -17.3479 -17.2162 -17.2162 -17.2061 -17.2061 -17.0677 -17.0677 -17.0523 -17.0523 -3.6645 -3.6645 -3.6639 -3.6639 -3.2120 -3.2120 -3.2000 -3.2000 -3.1994 -3.1994 1.8043 1.8043 5.0465 5.0465 6.7199 6.7199 6.7209 6.7209 6.7309 6.7309 9.2902 9.2902 9.3998 9.3998 9.4262 9.4262 11.8488 11.8488 11.8580 11.8580 11.9209 11.9209 12.0304 12.0304 12.0392 12.0392 k = 0.4180 0.4180 0.4180 ( 3695 PWs) bands (ev): -38.7626 -38.7626 -38.7565 -38.7565 -38.7565 -38.7565 -17.8814 -17.8814 -17.8182 -17.8182 -17.8130 -17.8130 -17.4425 -17.4425 -17.3478 -17.3478 -17.2138 -17.2138 -17.2055 -17.2055 -17.0642 -17.0642 -17.0515 -17.0515 -3.6645 -3.6645 -3.6640 -3.6640 -3.2122 -3.2122 -3.1999 -3.1999 -3.1995 -3.1995 1.8376 1.8376 5.0529 5.0529 6.6947 6.6947 6.6955 6.6955 6.7024 6.7024 9.3118 9.3118 9.4063 9.4063 9.4320 9.4320 11.8398 11.8398 11.8498 11.8498 11.8942 11.8942 12.0276 12.0276 12.0372 12.0372 k = 0.4262 0.4262 0.4262 ( 3698 PWs) bands (ev): -38.7618 -38.7618 -38.7569 -38.7569 -38.7569 -38.7569 -17.8842 -17.8842 -17.8188 -17.8188 -17.8148 -17.8148 -17.4445 -17.4445 -17.3476 -17.3476 -17.2116 -17.2116 -17.2049 -17.2049 -17.0609 -17.0609 -17.0506 -17.0506 -3.6645 -3.6645 -3.6641 -3.6641 -3.2124 -3.2124 -3.1999 -3.1999 -3.1995 -3.1995 1.8682 1.8682 5.0578 5.0578 6.6717 6.6717 6.6724 6.6724 6.6770 6.6770 9.3328 9.3328 9.4132 9.4132 9.4379 9.4379 11.8260 11.8260 11.8363 11.8363 11.8682 11.8682 12.0299 12.0299 12.0396 12.0396 k = 0.4344 0.4344 0.4344 ( 3698 PWs) bands (ev): -38.7611 -38.7611 -38.7572 -38.7572 -38.7572 -38.7572 -17.8867 -17.8867 -17.8195 -17.8195 -17.8164 -17.8164 -17.4462 -17.4462 -17.3474 -17.3474 -17.2097 -17.2097 -17.2044 -17.2044 -17.0580 -17.0580 -17.0498 -17.0498 -3.6645 -3.6645 -3.6642 -3.6642 -3.2125 -3.2125 -3.1998 -3.1998 -3.1996 -3.1996 1.8962 1.8962 5.0615 5.0615 6.6511 6.6511 6.6515 6.6515 6.6546 6.6546 9.3527 9.3527 9.4205 9.4205 9.4438 9.4438 11.8097 11.8097 11.8200 11.8200 11.8433 11.8433 12.0349 12.0349 12.0446 12.0446 k = 0.4426 0.4426 0.4426 ( 3698 PWs) bands (ev): -38.7605 -38.7605 -38.7575 -38.7575 -38.7575 -38.7575 -17.8891 -17.8891 -17.8200 -17.8200 -17.8178 -17.8178 -17.4478 -17.4478 -17.3473 -17.3473 -17.2080 -17.2080 -17.2039 -17.2039 -17.0553 -17.0553 -17.0491 -17.0491 -3.6645 -3.6645 -3.6643 -3.6643 -3.2126 -3.2126 -3.1998 -3.1998 -3.1996 -3.1996 1.9212 1.9212 5.0643 5.0643 6.6329 6.6329 6.6331 6.6331 6.6351 6.6351 9.3708 9.3708 9.4282 9.4282 9.4494 9.4494 11.7927 11.7927 11.8031 11.8031 11.8200 11.8200 12.0410 12.0410 12.0506 12.0506 k = 0.4508 0.4508 0.4508 ( 3698 PWs) bands (ev): -38.7600 -38.7600 -38.7578 -38.7578 -38.7578 -38.7578 -17.8913 -17.8913 -17.8205 -17.8205 -17.8189 -17.8189 -17.4492 -17.4492 -17.3471 -17.3471 -17.2065 -17.2065 -17.2035 -17.2035 -17.0530 -17.0530 -17.0484 -17.0484 -3.6645 -3.6645 -3.6644 -3.6644 -3.2128 -3.2128 -3.1998 -3.1998 -3.1996 -3.1996 1.9433 1.9433 5.0661 5.0661 6.6170 6.6170 6.6170 6.6170 6.6185 6.6185 9.3866 9.3866 9.4361 9.4361 9.4547 9.4547 11.7763 11.7763 11.7867 11.7867 11.7987 11.7987 12.0472 12.0472 12.0565 12.0565 k = 0.4590 0.4590 0.4590 ( 3695 PWs) bands (ev): -38.7595 -38.7595 -38.7580 -38.7580 -38.7580 -38.7580 -17.8931 -17.8931 -17.8210 -17.8210 -17.8199 -17.8199 -17.4503 -17.4503 -17.3470 -17.3470 -17.2052 -17.2052 -17.2031 -17.2031 -17.0510 -17.0510 -17.0478 -17.0478 -3.6645 -3.6645 -3.6645 -3.6645 -3.2129 -3.2129 -3.1997 -3.1997 -3.1996 -3.1996 1.9621 1.9621 5.0673 5.0673 6.6035 6.6035 6.6036 6.6036 6.6047 6.6047 9.3997 9.3997 9.4444 9.4444 9.4594 9.4594 11.7612 11.7612 11.7718 11.7718 11.7799 11.7799 12.0529 12.0529 12.0617 12.0617 k = 0.4672 0.4672 0.4672 ( 3690 PWs) bands (ev): -38.7592 -38.7592 -38.7582 -38.7582 -38.7582 -38.7582 -17.8947 -17.8947 -17.8213 -17.8213 -17.8207 -17.8207 -17.4513 -17.4513 -17.3469 -17.3469 -17.2042 -17.2042 -17.2028 -17.2028 -17.0493 -17.0493 -17.0473 -17.0473 -3.6645 -3.6645 -3.6645 -3.6645 -3.2130 -3.2130 -3.1997 -3.1997 -3.1996 -3.1996 1.9777 1.9777 5.0681 5.0681 6.5924 6.5924 6.5926 6.5926 6.5934 6.5934 9.4097 9.4097 9.4526 9.4526 9.4635 9.4635 11.7481 11.7481 11.7590 11.7590 11.7640 11.7640 12.0577 12.0578 12.0658 12.0658 k = 0.4754 0.4754 0.4754 ( 3666 PWs) bands (ev): -38.7589 -38.7589 -38.7583 -38.7583 -38.7583 -38.7583 -17.8958 -17.8958 -17.8215 -17.8215 -17.8212 -17.8212 -17.4520 -17.4520 -17.3467 -17.3467 -17.2033 -17.2033 -17.2026 -17.2026 -17.0480 -17.0480 -17.0469 -17.0469 -3.6645 -3.6645 -3.6644 -3.6644 -3.2130 -3.2130 -3.1995 -3.1995 -3.1995 -3.1995 1.9899 1.9899 5.0685 5.0685 6.5839 6.5839 6.5841 6.5841 6.5847 6.5847 9.4170 9.4170 9.4601 9.4601 9.4669 9.4669 11.7375 11.7375 11.7487 11.7487 11.7515 11.7515 12.0616 12.0617 12.0683 12.0683 k = 0.4836 0.4836 0.4836 ( 3648 PWs) bands (ev): -38.7586 -38.7586 -38.7584 -38.7584 -38.7584 -38.7584 -17.8967 -17.8967 -17.8217 -17.8217 -17.8216 -17.8216 -17.4525 -17.4525 -17.3466 -17.3466 -17.2027 -17.2027 -17.2024 -17.2024 -17.0471 -17.0471 -17.0465 -17.0465 -3.6644 -3.6644 -3.6644 -3.6644 -3.2129 -3.2129 -3.1994 -3.1994 -3.1994 -3.1994 1.9987 1.9987 5.0688 5.0688 6.5779 6.5779 6.5780 6.5780 6.5785 6.5785 9.4219 9.4219 9.4662 9.4662 9.4693 9.4693 11.7295 11.7295 11.7412 11.7412 11.7424 11.7424 12.0644 12.0645 12.0684 12.0685 k = 0.4918 0.4918 0.4918 ( 3648 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8972 -17.8972 -17.8218 -17.8218 -17.8218 -17.8218 -17.4528 -17.4528 -17.3466 -17.3466 -17.2024 -17.2024 -17.2023 -17.2023 -17.0465 -17.0465 -17.0464 -17.0464 -3.6644 -3.6644 -3.6644 -3.6644 -3.2130 -3.2130 -3.1994 -3.1994 -3.1994 -3.1994 2.0040 2.0040 5.0689 5.0689 6.5743 6.5743 6.5743 6.5743 6.5748 6.5748 9.4247 9.4247 9.4700 9.4700 9.4708 9.4708 11.7246 11.7246 11.7366 11.7366 11.7369 11.7369 12.0661 12.0662 12.0673 12.0673 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8974 -17.8974 -17.8219 -17.8219 -17.8219 -17.8219 -17.4529 -17.4529 -17.3466 -17.3466 -17.2023 -17.2023 -17.2023 -17.2023 -17.0463 -17.0463 -17.0463 -17.0463 -3.6644 -3.6644 -3.6644 -3.6644 -3.2130 -3.2130 -3.1994 -3.1994 -3.1994 -3.1994 2.0058 2.0058 5.0689 5.0689 6.5731 6.5731 6.5731 6.5731 6.5736 6.5736 9.4256 9.4256 9.4713 9.4713 9.4713 9.4713 11.7229 11.7229 11.7351 11.7351 11.7351 11.7351 12.0667 12.0667 12.0667 12.0667 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8974 -17.8974 -17.8219 -17.8219 -17.8219 -17.8219 -17.4529 -17.4529 -17.3466 -17.3466 -17.2023 -17.2023 -17.2023 -17.2023 -17.0463 -17.0463 -17.0463 -17.0463 -3.6644 -3.6644 -3.6644 -3.6644 -3.2130 -3.2130 -3.1994 -3.1994 -3.1994 -3.1994 2.0058 2.0058 5.0689 5.0689 6.5731 6.5731 6.5731 6.5731 6.5736 6.5736 9.4256 9.4256 9.4713 9.4713 9.4713 9.4713 11.7229 11.7229 11.7351 11.7351 11.7351 11.7351 12.0667 12.0667 12.0667 12.0668 k = 0.4900 0.5000 0.4900 ( 3648 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7584 -38.7584 -17.8972 -17.8972 -17.8218 -17.8218 -17.8218 -17.8218 -17.4528 -17.4528 -17.3466 -17.3466 -17.2024 -17.2024 -17.2023 -17.2023 -17.0465 -17.0465 -17.0464 -17.0464 -3.6644 -3.6644 -3.6644 -3.6644 -3.2130 -3.2130 -3.1994 -3.1994 -3.1994 -3.1994 2.0041 2.0041 5.0689 5.0689 6.5733 6.5733 6.5749 6.5749 6.5752 6.5752 9.4247 9.4247 9.4699 9.4699 9.4709 9.4709 11.7246 11.7246 11.7366 11.7366 11.7369 11.7369 12.0662 12.0662 12.0673 12.0673 k = 0.4800 0.5000 0.4800 ( 3648 PWs) bands (ev): -38.7586 -38.7586 -38.7585 -38.7585 -38.7584 -38.7584 -17.8967 -17.8967 -17.8217 -17.8217 -17.8215 -17.8215 -17.4525 -17.4525 -17.3466 -17.3466 -17.2027 -17.2027 -17.2024 -17.2024 -17.0471 -17.0471 -17.0465 -17.0465 -3.6644 -3.6644 -3.6644 -3.6644 -3.2129 -3.2129 -3.1995 -3.1995 -3.1994 -3.1994 1.9988 1.9988 5.0688 5.0688 6.5736 6.5736 6.5802 6.5802 6.5806 6.5806 9.4219 9.4219 9.4657 9.4657 9.4699 9.4699 11.7295 11.7295 11.7412 11.7412 11.7424 11.7424 12.0646 12.0646 12.0684 12.0685 k = 0.4700 0.5000 0.4700 ( 3668 PWs) bands (ev): -38.7588 -38.7588 -38.7585 -38.7585 -38.7582 -38.7582 -17.8958 -17.8958 -17.8216 -17.8216 -17.8212 -17.8212 -17.4520 -17.4520 -17.3467 -17.3467 -17.2033 -17.2033 -17.2026 -17.2026 -17.0481 -17.0481 -17.0468 -17.0468 -3.6645 -3.6645 -3.6644 -3.6644 -3.2130 -3.2130 -3.1996 -3.1996 -3.1995 -3.1995 1.9901 1.9901 5.0686 5.0686 6.5740 6.5740 6.5889 6.5889 6.5895 6.5895 9.4169 9.4169 9.4589 9.4589 9.4685 9.4685 11.7372 11.7372 11.7488 11.7488 11.7513 11.7513 12.0619 12.0619 12.0685 12.0686 k = 0.4600 0.5000 0.4600 ( 3688 PWs) bands (ev): -38.7590 -38.7590 -38.7585 -38.7585 -38.7580 -38.7580 -17.8947 -17.8947 -17.8214 -17.8214 -17.8206 -17.8206 -17.4513 -17.4513 -17.3469 -17.3469 -17.2041 -17.2041 -17.2029 -17.2029 -17.0494 -17.0494 -17.0472 -17.0472 -3.6646 -3.6646 -3.6644 -3.6644 -3.2130 -3.2130 -3.1997 -3.1997 -3.1995 -3.1995 1.9780 1.9780 5.0682 5.0682 6.5746 6.5746 6.6011 6.6011 6.6020 6.6020 9.4094 9.4094 9.4497 9.4497 9.4671 9.4671 11.7476 11.7476 11.7596 11.7596 11.7634 11.7634 12.0580 12.0581 12.0665 12.0665 k = 0.4500 0.5000 0.4500 ( 3700 PWs) bands (ev): -38.7593 -38.7593 -38.7585 -38.7585 -38.7577 -38.7577 -17.8931 -17.8931 -17.8211 -17.8211 -17.8199 -17.8199 -17.4504 -17.4504 -17.3470 -17.3470 -17.2052 -17.2052 -17.2032 -17.2032 -17.0511 -17.0511 -17.0477 -17.0477 -3.6646 -3.6646 -3.6645 -3.6645 -3.2129 -3.2129 -3.1998 -3.1998 -3.1995 -3.1995 1.9626 1.9626 5.0676 5.0676 6.5758 6.5758 6.6165 6.6165 6.6181 6.6181 9.3991 9.3991 9.4388 9.4388 9.4661 9.4661 11.7603 11.7603 11.7734 11.7734 11.7783 11.7783 12.0532 12.0532 12.0629 12.0629 k = 0.4400 0.5000 0.4400 ( 3694 PWs) bands (ev): -38.7596 -38.7596 -38.7585 -38.7585 -38.7574 -38.7574 -17.8913 -17.8913 -17.8206 -17.8206 -17.8189 -17.8189 -17.4492 -17.4492 -17.3471 -17.3471 -17.2063 -17.2063 -17.2036 -17.2036 -17.0531 -17.0531 -17.0482 -17.0482 -3.6645 -3.6645 -3.6644 -3.6644 -3.2128 -3.2128 -3.1998 -3.1998 -3.1995 -3.1995 1.9441 1.9441 5.0666 5.0666 6.5775 6.5775 6.6353 6.6353 6.6377 6.6377 9.3860 9.3860 9.4267 9.4267 9.4655 9.4655 11.7752 11.7752 11.7899 11.7899 11.7957 11.7957 12.0473 12.0473 12.0579 12.0579 k = 0.4300 0.5000 0.4300 ( 3692 PWs) bands (ev): -38.7600 -38.7600 -38.7585 -38.7585 -38.7570 -38.7570 -17.8891 -17.8891 -17.8201 -17.8201 -17.8178 -17.8178 -17.4478 -17.4478 -17.3473 -17.3473 -17.2078 -17.2078 -17.2041 -17.2041 -17.0555 -17.0555 -17.0488 -17.0488 -3.6645 -3.6645 -3.6643 -3.6643 -3.2127 -3.2127 -3.1998 -3.1998 -3.1995 -3.1995 1.9226 1.9226 5.0651 5.0651 6.5799 6.5799 6.6570 6.6570 6.6608 6.6608 9.3699 9.3699 9.4140 9.4140 9.4655 9.4655 11.7922 11.7922 11.8082 11.8082 11.8149 11.8149 12.0407 12.0407 12.0518 12.0518 k = 0.4200 0.5000 0.4200 ( 3684 PWs) bands (ev): -38.7605 -38.7605 -38.7585 -38.7585 -38.7566 -38.7566 -17.8867 -17.8867 -17.8196 -17.8196 -17.8164 -17.8164 -17.4463 -17.4463 -17.3474 -17.3474 -17.2094 -17.2094 -17.2046 -17.2046 -17.0581 -17.0581 -17.0495 -17.0495 -3.6644 -3.6644 -3.6642 -3.6642 -3.2125 -3.2125 -3.1998 -3.1998 -3.1994 -3.1994 1.8983 1.8983 5.0630 5.0630 6.5831 6.5831 6.6816 6.6816 6.6874 6.6874 9.3510 9.3510 9.4013 9.4013 9.4660 9.4660 11.8113 11.8113 11.8275 11.8275 11.8354 11.8354 12.0337 12.0337 12.0447 12.0447 k = 0.4100 0.5000 0.4100 ( 3692 PWs) bands (ev): -38.7610 -38.7610 -38.7585 -38.7585 -38.7561 -38.7561 -17.8841 -17.8841 -17.8190 -17.8190 -17.8149 -17.8149 -17.4445 -17.4445 -17.3476 -17.3476 -17.2112 -17.2112 -17.2052 -17.2052 -17.0611 -17.0611 -17.0504 -17.0504 -3.6645 -3.6645 -3.6641 -3.6641 -3.2123 -3.2123 -3.1999 -3.1999 -3.1994 -3.1994 1.8713 1.8713 5.0599 5.0599 6.5874 6.5874 6.7088 6.7088 6.7171 6.7171 9.3295 9.3295 9.3891 9.3891 9.4670 9.4670 11.8320 11.8320 11.8467 11.8467 11.8568 11.8568 12.0265 12.0265 12.0369 12.0369 k = 0.4000 0.5000 0.4000 ( 3692 PWs) bands (ev): -38.7615 -38.7615 -38.7585 -38.7585 -38.7555 -38.7555 -17.8812 -17.8812 -17.8183 -17.8183 -17.8132 -17.8132 -17.4426 -17.4426 -17.3478 -17.3478 -17.2133 -17.2133 -17.2059 -17.2059 -17.0643 -17.0643 -17.0513 -17.0513 -3.6644 -3.6644 -3.6641 -3.6641 -3.2122 -3.2122 -3.2000 -3.2000 -3.1993 -3.1993 1.8418 1.8418 5.0559 5.0559 6.5930 6.5930 6.7383 6.7383 6.7502 6.7502 9.3057 9.3057 9.3777 9.3777 9.4684 9.4684 11.8534 11.8534 11.8648 11.8648 11.8786 11.8786 12.0187 12.0187 12.0302 12.0302 k = 0.3900 0.5000 0.3900 ( 3696 PWs) bands (ev): -38.7622 -38.7622 -38.7585 -38.7585 -38.7549 -38.7549 -17.8782 -17.8782 -17.8175 -17.8175 -17.8114 -17.8114 -17.4404 -17.4404 -17.3480 -17.3480 -17.2155 -17.2155 -17.2066 -17.2066 -17.0678 -17.0678 -17.0523 -17.0523 -3.6644 -3.6644 -3.6640 -3.6640 -3.2120 -3.2120 -3.2001 -3.2001 -3.1993 -3.1993 1.8100 1.8100 5.0507 5.0507 6.6000 6.6000 6.7700 6.7700 6.7865 6.7865 9.2802 9.2802 9.3673 9.3673 9.4703 9.4703 11.8702 11.8702 11.8846 11.8846 11.9007 11.9007 12.0084 12.0084 12.0277 12.0277 k = 0.3800 0.5000 0.3800 ( 3692 PWs) bands (ev): -38.7628 -38.7628 -38.7586 -38.7586 -38.7543 -38.7543 -17.8751 -17.8751 -17.8167 -17.8167 -17.8093 -17.8093 -17.4381 -17.4381 -17.3481 -17.3481 -17.2179 -17.2179 -17.2074 -17.2074 -17.0715 -17.0715 -17.0533 -17.0533 -3.6644 -3.6644 -3.6639 -3.6639 -3.2118 -3.2118 -3.2001 -3.2001 -3.1993 -3.1993 1.7763 1.7763 5.0442 5.0442 6.6088 6.6088 6.8038 6.8038 6.8260 6.8260 9.2531 9.2531 9.3583 9.3583 9.4727 9.4727 11.8769 11.8769 11.9092 11.9092 11.9229 11.9229 11.9956 11.9956 12.0315 12.0315 k = 0.3700 0.5000 0.3700 ( 3692 PWs) bands (ev): -38.7635 -38.7635 -38.7586 -38.7586 -38.7536 -38.7536 -17.8718 -17.8718 -17.8158 -17.8158 -17.8070 -17.8070 -17.4356 -17.4356 -17.3483 -17.3483 -17.2205 -17.2205 -17.2082 -17.2082 -17.0754 -17.0754 -17.0545 -17.0545 -3.6644 -3.6644 -3.6637 -3.6637 -3.2116 -3.2116 -3.2003 -3.2003 -3.1992 -3.1992 1.7406 1.7406 5.0362 5.0362 6.6196 6.6196 6.8391 6.8391 6.8685 6.8685 9.2248 9.2248 9.3509 9.3509 9.4756 9.4756 11.8750 11.8750 11.9349 11.9349 11.9455 11.9455 11.9808 11.9808 12.0411 12.0411 k = 0.3600 0.5000 0.3600 ( 3688 PWs) bands (ev): -38.7643 -38.7643 -38.7586 -38.7586 -38.7529 -38.7529 -17.8686 -17.8686 -17.8149 -17.8149 -17.8045 -17.8045 -17.4330 -17.4330 -17.3484 -17.3484 -17.2232 -17.2232 -17.2091 -17.2091 -17.0794 -17.0794 -17.0557 -17.0557 -3.6643 -3.6643 -3.6636 -3.6636 -3.2113 -3.2113 -3.2003 -3.2003 -3.1992 -3.1992 1.7033 1.7033 5.0265 5.0265 6.6325 6.6325 6.8760 6.8760 6.9139 6.9139 9.1956 9.1956 9.3453 9.3453 9.4789 9.4789 11.8659 11.8659 11.9570 11.9570 11.9630 11.9630 11.9736 11.9736 12.0553 12.0553 k = 0.3500 0.5000 0.3500 ( 3688 PWs) bands (ev): -38.7651 -38.7651 -38.7586 -38.7586 -38.7521 -38.7521 -17.8653 -17.8653 -17.8139 -17.8139 -17.8017 -17.8017 -17.4302 -17.4302 -17.3486 -17.3486 -17.2260 -17.2260 -17.2101 -17.2101 -17.0836 -17.0836 -17.0569 -17.0569 -3.6643 -3.6643 -3.6635 -3.6635 -3.2111 -3.2111 -3.2004 -3.2004 -3.1991 -3.1991 1.6646 1.6646 5.0151 5.0151 6.6477 6.6477 6.9140 6.9140 6.9622 6.9622 9.1659 9.1659 9.3416 9.3416 9.4828 9.4828 11.8515 11.8515 11.9438 11.9438 11.9784 11.9784 12.0021 12.0021 12.0719 12.0719 k = 0.3400 0.5000 0.3400 ( 3684 PWs) bands (ev): -38.7659 -38.7659 -38.7586 -38.7586 -38.7513 -38.7513 -17.8620 -17.8620 -17.8129 -17.8129 -17.7988 -17.7988 -17.4272 -17.4272 -17.3487 -17.3487 -17.2290 -17.2290 -17.2112 -17.2112 -17.0879 -17.0879 -17.0583 -17.0583 -3.6643 -3.6643 -3.6634 -3.6634 -3.2108 -3.2108 -3.2005 -3.2005 -3.1991 -3.1991 1.6246 1.6246 5.0018 5.0018 6.6655 6.6655 6.9529 6.9529 7.0132 7.0132 9.1357 9.1357 9.3401 9.3401 9.4873 9.4873 11.8328 11.8328 11.9233 11.9233 11.9958 11.9958 12.0339 12.0339 12.0893 12.0893 k = 0.3300 0.5000 0.3300 ( 3684 PWs) bands (ev): -38.7668 -38.7668 -38.7586 -38.7586 -38.7505 -38.7505 -17.8589 -17.8589 -17.8117 -17.8117 -17.7956 -17.7956 -17.4241 -17.4241 -17.3488 -17.3488 -17.2320 -17.2320 -17.2123 -17.2123 -17.0924 -17.0924 -17.0596 -17.0596 -3.6642 -3.6642 -3.6633 -3.6633 -3.2106 -3.2106 -3.2007 -3.2007 -3.1990 -3.1990 1.5837 1.5837 4.9868 4.9868 6.6859 6.6859 6.9926 6.9926 7.0669 7.0669 9.1053 9.1053 9.3408 9.3408 9.4923 9.4923 11.8108 11.8108 11.9010 11.9010 12.0115 12.0115 12.0672 12.0672 12.1062 12.1062 k = 0.3200 0.5000 0.3200 ( 3696 PWs) bands (ev): -38.7677 -38.7677 -38.7586 -38.7586 -38.7496 -38.7496 -17.8559 -17.8559 -17.8106 -17.8106 -17.7923 -17.7923 -17.4210 -17.4210 -17.3489 -17.3489 -17.2352 -17.2352 -17.2135 -17.2135 -17.0969 -17.0969 -17.0611 -17.0611 -3.6643 -3.6643 -3.6632 -3.6632 -3.2104 -3.2104 -3.2008 -3.2008 -3.1991 -3.1991 1.5419 1.5419 4.9698 4.9698 6.7090 6.7090 7.0326 7.0326 7.1229 7.1229 9.0751 9.0751 9.3437 9.3437 9.4979 9.4979 11.7860 11.7860 11.8769 11.8769 12.0255 12.0255 12.1015 12.1015 12.1220 12.1220 k = 0.3100 0.5000 0.3100 ( 3694 PWs) bands (ev): -38.7686 -38.7686 -38.7587 -38.7587 -38.7487 -38.7487 -17.8530 -17.8530 -17.8093 -17.8093 -17.7888 -17.7888 -17.4177 -17.4177 -17.3489 -17.3489 -17.2384 -17.2384 -17.2148 -17.2148 -17.1014 -17.1014 -17.0626 -17.0626 -3.6643 -3.6643 -3.6631 -3.6631 -3.2101 -3.2101 -3.2010 -3.2010 -3.1990 -3.1990 1.4995 1.4995 4.9511 4.9511 6.7349 6.7349 7.0730 7.0730 7.1813 7.1813 9.0452 9.0452 9.3489 9.3489 9.5041 9.5041 11.7586 11.7586 11.8512 11.8512 12.0379 12.0379 12.1349 12.1349 12.1381 12.1381 k = 0.3000 0.5000 0.3000 ( 3710 PWs) bands (ev): -38.7695 -38.7695 -38.7587 -38.7587 -38.7478 -38.7478 -17.8503 -17.8503 -17.8081 -17.8081 -17.7851 -17.7851 -17.4144 -17.4144 -17.3489 -17.3489 -17.2416 -17.2416 -17.2161 -17.2161 -17.1061 -17.1061 -17.0641 -17.0641 -3.6643 -3.6643 -3.6631 -3.6631 -3.2100 -3.2100 -3.2012 -3.2012 -3.1991 -3.1991 1.4567 1.4567 4.9306 4.9306 6.7636 6.7636 7.1132 7.1132 7.2418 7.2418 9.0156 9.0156 9.3563 9.3563 9.5109 9.5109 11.7288 11.7288 11.8240 11.8240 12.0488 12.0488 12.1479 12.1479 12.1737 12.1737 k = 0.2900 0.5000 0.2900 ( 3700 PWs) bands (ev): -38.7705 -38.7705 -38.7587 -38.7587 -38.7469 -38.7469 -17.8477 -17.8477 -17.8067 -17.8067 -17.7812 -17.7812 -17.4110 -17.4110 -17.3488 -17.3488 -17.2447 -17.2447 -17.2174 -17.2174 -17.1107 -17.1107 -17.0656 -17.0656 -3.6643 -3.6643 -3.6630 -3.6630 -3.2097 -3.2097 -3.2013 -3.2013 -3.1990 -3.1990 1.4136 1.4136 4.9085 4.9085 6.7951 6.7951 7.1531 7.1531 7.3043 7.3043 8.9870 8.9870 9.3660 9.3660 9.5184 9.5184 11.6968 11.6968 11.7955 11.7955 12.0582 12.0582 12.1580 12.1580 12.2111 12.2111 k = 0.2800 0.5000 0.2800 ( 3696 PWs) bands (ev): -38.7715 -38.7715 -38.7587 -38.7587 -38.7459 -38.7459 -17.8454 -17.8454 -17.8052 -17.8052 -17.7773 -17.7773 -17.4076 -17.4076 -17.3486 -17.3486 -17.2478 -17.2478 -17.2188 -17.2188 -17.1153 -17.1153 -17.0671 -17.0671 -3.6643 -3.6643 -3.6629 -3.6629 -3.2094 -3.2094 -3.2014 -3.2014 -3.1990 -3.1990 1.3705 1.3705 4.8849 4.8849 6.8292 6.8292 7.1926 7.1926 7.3687 7.3687 8.9592 8.9592 9.3778 9.3778 9.5266 9.5266 11.6626 11.6626 11.7658 11.7658 12.0663 12.0663 12.1660 12.1660 12.2494 12.2494 k = 0.2700 0.5000 0.2700 ( 3700 PWs) bands (ev): -38.7725 -38.7725 -38.7587 -38.7587 -38.7450 -38.7450 -17.8434 -17.8434 -17.8037 -17.8037 -17.7732 -17.7732 -17.4042 -17.4042 -17.3483 -17.3483 -17.2508 -17.2508 -17.2203 -17.2203 -17.1198 -17.1198 -17.0686 -17.0686 -3.6643 -3.6643 -3.6628 -3.6628 -3.2092 -3.2092 -3.2016 -3.2016 -3.1990 -3.1990 1.3274 1.3274 4.8600 4.8600 6.8659 6.8659 7.2312 7.2312 7.4347 7.4347 8.9326 8.9326 9.3916 9.3916 9.5354 9.5354 11.6263 11.6263 11.7350 11.7350 12.0732 12.0732 12.1721 12.1721 12.2886 12.2886 k = 0.2600 0.5000 0.2600 ( 3704 PWs) bands (ev): -38.7735 -38.7735 -38.7587 -38.7587 -38.7440 -38.7440 -17.8416 -17.8416 -17.8022 -17.8022 -17.7692 -17.7692 -17.4009 -17.4009 -17.3480 -17.3480 -17.2536 -17.2536 -17.2218 -17.2218 -17.1244 -17.1244 -17.0702 -17.0702 -3.6643 -3.6643 -3.6627 -3.6627 -3.2090 -3.2090 -3.2018 -3.2018 -3.1990 -3.1990 1.2846 1.2846 4.8340 4.8340 6.9050 6.9050 7.2689 7.2689 7.5022 7.5022 8.9072 8.9072 9.4073 9.4073 9.5448 9.5448 11.5879 11.5879 11.7033 11.7033 12.0791 12.0791 12.1764 12.1764 12.3286 12.3286 k = 0.2500 0.5000 0.2500 ( 3708 PWs) bands (ev): -38.7745 -38.7745 -38.7588 -38.7588 -38.7430 -38.7430 -17.8400 -17.8400 -17.8005 -17.8005 -17.7651 -17.7651 -17.3977 -17.3977 -17.3475 -17.3475 -17.2562 -17.2562 -17.2234 -17.2234 -17.1289 -17.1289 -17.0717 -17.0717 -3.6644 -3.6644 -3.6627 -3.6627 -3.2088 -3.2088 -3.2020 -3.2020 -3.1990 -3.1990 1.2422 1.2422 4.8070 4.8070 6.9464 6.9464 7.3053 7.3053 7.5709 7.5709 8.8835 8.8835 9.4247 9.4247 9.5549 9.5549 11.5478 11.5478 11.6709 11.6709 12.0841 12.0841 12.1792 12.1792 12.3695 12.3695 k = 0.2400 0.5000 0.2400 ( 3708 PWs) bands (ev): -38.7755 -38.7755 -38.7588 -38.7588 -38.7421 -38.7421 -17.8387 -17.8387 -17.7988 -17.7988 -17.7610 -17.7610 -17.3946 -17.3946 -17.3469 -17.3469 -17.2586 -17.2586 -17.2251 -17.2251 -17.1334 -17.1334 -17.0732 -17.0732 -3.6644 -3.6644 -3.6626 -3.6626 -3.2086 -3.2086 -3.2022 -3.2022 -3.1991 -3.1991 1.2004 1.2004 4.7793 4.7793 6.9899 6.9899 7.3403 7.3403 7.6406 7.6406 8.8615 8.8615 9.4437 9.4437 9.5657 9.5657 11.5059 11.5059 11.6378 11.6378 12.0886 12.0886 12.1807 12.1807 12.4112 12.4112 k = 0.2300 0.5000 0.2300 ( 3714 PWs) bands (ev): -38.7765 -38.7765 -38.7588 -38.7588 -38.7411 -38.7411 -17.8375 -17.8375 -17.7970 -17.7970 -17.7571 -17.7571 -17.3917 -17.3917 -17.3462 -17.3462 -17.2608 -17.2608 -17.2268 -17.2268 -17.1378 -17.1378 -17.0747 -17.0747 -3.6645 -3.6645 -3.6626 -3.6626 -3.2084 -3.2084 -3.2024 -3.2024 -3.1991 -3.1991 1.1592 1.1592 4.7510 4.7510 7.0352 7.0352 7.3736 7.3736 7.7111 7.7111 8.8414 8.8414 9.4639 9.4639 9.5772 9.5772 11.4625 11.4625 11.6044 11.6044 12.0926 12.0926 12.1810 12.1810 12.4537 12.4537 k = 0.2200 0.5000 0.2200 ( 3712 PWs) bands (ev): -38.7774 -38.7774 -38.7588 -38.7588 -38.7401 -38.7401 -17.8367 -17.8367 -17.7952 -17.7952 -17.7532 -17.7532 -17.3890 -17.3890 -17.3453 -17.3453 -17.2626 -17.2626 -17.2285 -17.2285 -17.1422 -17.1422 -17.0762 -17.0762 -3.6645 -3.6645 -3.6626 -3.6626 -3.2082 -3.2082 -3.2026 -3.2026 -3.1991 -3.1991 1.1189 1.1189 4.7224 4.7224 7.0822 7.0822 7.4051 7.4051 7.7822 7.7822 8.8234 8.8234 9.4853 9.4853 9.5892 9.5892 11.4178 11.4178 11.5707 11.5707 12.0965 12.0965 12.1805 12.1805 12.4970 12.4970 k = 0.2100 0.5000 0.2100 ( 3716 PWs) bands (ev): -38.7784 -38.7784 -38.7588 -38.7588 -38.7392 -38.7392 -17.8360 -17.8360 -17.7933 -17.7933 -17.7494 -17.7494 -17.3866 -17.3866 -17.3442 -17.3442 -17.2641 -17.2641 -17.2303 -17.2303 -17.1465 -17.1465 -17.0776 -17.0776 -3.6646 -3.6646 -3.6625 -3.6625 -3.2080 -3.2080 -3.2028 -3.2028 -3.1992 -3.1992 1.0795 1.0795 4.6936 4.6936 7.1306 7.1306 7.4345 7.4345 7.8536 7.8536 8.8076 8.8076 9.5076 9.5076 9.6019 9.6019 11.3720 11.3720 11.5368 11.5368 12.1004 12.1004 12.1794 12.1794 12.5409 12.5409 k = 0.2000 0.5000 0.2000 ( 3708 PWs) bands (ev): -38.7794 -38.7794 -38.7589 -38.7589 -38.7382 -38.7382 -17.8355 -17.8355 -17.7914 -17.7914 -17.7457 -17.7457 -17.3844 -17.3844 -17.3429 -17.3429 -17.2653 -17.2653 -17.2320 -17.2320 -17.1507 -17.1507 -17.0789 -17.0789 -3.6646 -3.6646 -3.6624 -3.6624 -3.2078 -3.2078 -3.2030 -3.2030 -3.1992 -3.1992 1.0412 1.0412 4.6650 4.6650 7.1801 7.1801 7.4618 7.4618 7.9252 7.9252 8.7942 8.7942 9.5305 9.5305 9.6152 9.6152 11.3253 11.3253 11.5031 11.5031 12.1047 12.1047 12.1777 12.1777 12.5855 12.5855 k = 0.1900 0.5000 0.1900 ( 3708 PWs) bands (ev): -38.7803 -38.7803 -38.7589 -38.7589 -38.7373 -38.7373 -17.8352 -17.8352 -17.7895 -17.7895 -17.7422 -17.7422 -17.3826 -17.3826 -17.3415 -17.3415 -17.2661 -17.2661 -17.2339 -17.2339 -17.1548 -17.1548 -17.0802 -17.0802 -3.6646 -3.6646 -3.6624 -3.6624 -3.2076 -3.2076 -3.2032 -3.2032 -3.1992 -3.1992 1.0040 1.0040 4.6366 4.6366 7.2304 7.2304 7.4868 7.4868 7.9963 7.9963 8.7834 8.7834 9.5537 9.5537 9.6290 9.6290 11.2781 11.2781 11.4695 11.4695 12.1096 12.1096 12.1757 12.1757 12.6307 12.6307 k = 0.1800 0.5000 0.1800 ( 3724 PWs) bands (ev): -38.7812 -38.7812 -38.7589 -38.7589 -38.7364 -38.7364 -17.8351 -17.8351 -17.7876 -17.7876 -17.7390 -17.7390 -17.3811 -17.3811 -17.3399 -17.3399 -17.2666 -17.2666 -17.2358 -17.2358 -17.1589 -17.1589 -17.0814 -17.0814 -3.6648 -3.6648 -3.6624 -3.6624 -3.2075 -3.2075 -3.2035 -3.2035 -3.1993 -3.1993 0.9681 0.9681 4.6086 4.6086 7.2813 7.2813 7.5093 7.5093 8.0669 8.0669 8.7749 8.7749 9.5769 9.5769 9.6433 9.6433 11.2306 11.2306 11.4362 11.4362 12.1152 12.1152 12.1734 12.1734 12.6763 12.6763 k = 0.1700 0.5000 0.1700 ( 3712 PWs) bands (ev): -38.7821 -38.7821 -38.7589 -38.7589 -38.7356 -38.7356 -17.8351 -17.8351 -17.7856 -17.7856 -17.7358 -17.7358 -17.3799 -17.3799 -17.3380 -17.3380 -17.2667 -17.2667 -17.2376 -17.2376 -17.1629 -17.1629 -17.0825 -17.0825 -3.6648 -3.6648 -3.6623 -3.6623 -3.2073 -3.2073 -3.2036 -3.2036 -3.1994 -3.1994 0.9336 0.9336 4.5813 4.5813 7.3325 7.3325 7.5295 7.5295 8.1367 8.1367 8.7691 8.7691 9.5998 9.5998 9.6583 9.6583 11.1832 11.1832 11.4035 11.4035 12.1220 12.1220 12.1711 12.1711 12.7223 12.7223 k = 0.1600 0.5000 0.1600 ( 3712 PWs) bands (ev): -38.7830 -38.7830 -38.7589 -38.7589 -38.7347 -38.7347 -17.8353 -17.8353 -17.7837 -17.7837 -17.7329 -17.7329 -17.3790 -17.3790 -17.3361 -17.3361 -17.2666 -17.2666 -17.2393 -17.2393 -17.1668 -17.1668 -17.0835 -17.0835 -3.6649 -3.6649 -3.6623 -3.6623 -3.2071 -3.2071 -3.2038 -3.2038 -3.1994 -3.1994 0.9006 0.9006 4.5547 4.5547 7.3836 7.3836 7.5471 7.5471 8.2053 8.2053 8.7659 8.7659 9.6220 9.6220 9.6737 9.6737 11.1360 11.1360 11.3714 11.3714 12.1300 12.1300 12.1688 12.1688 12.7686 12.7686 k = 0.1500 0.5000 0.1500 ( 3718 PWs) bands (ev): -38.7838 -38.7838 -38.7589 -38.7589 -38.7339 -38.7339 -17.8356 -17.8356 -17.7818 -17.7818 -17.7302 -17.7302 -17.3783 -17.3783 -17.3339 -17.3339 -17.2663 -17.2663 -17.2410 -17.2410 -17.1707 -17.1707 -17.0845 -17.0845 -3.6650 -3.6650 -3.6623 -3.6623 -3.2070 -3.2070 -3.2040 -3.2040 -3.1995 -3.1995 0.8691 0.8691 4.5290 4.5290 7.4342 7.4342 7.5624 7.5624 8.2723 8.2723 8.7650 8.7650 9.6433 9.6433 9.6895 9.6895 11.0894 11.0894 11.3400 11.3400 12.1393 12.1393 12.1667 12.1667 12.8148 12.8148 k = 0.1400 0.5000 0.1400 ( 3714 PWs) bands (ev): -38.7846 -38.7846 -38.7589 -38.7589 -38.7331 -38.7331 -17.8359 -17.8359 -17.7800 -17.7800 -17.7277 -17.7277 -17.3779 -17.3779 -17.3317 -17.3317 -17.2659 -17.2659 -17.2425 -17.2425 -17.1745 -17.1745 -17.0854 -17.0854 -3.6651 -3.6651 -3.6623 -3.6623 -3.2069 -3.2069 -3.2042 -3.2042 -3.1995 -3.1995 0.8393 0.8393 4.5044 4.5044 7.4841 7.4841 7.5754 7.5754 8.3376 8.3376 8.7664 8.7664 9.6635 9.6635 9.7058 9.7058 11.0438 11.0438 11.3098 11.3098 12.1494 12.1494 12.1657 12.1657 12.8609 12.8609 k = 0.1300 0.5000 0.1300 ( 3710 PWs) bands (ev): -38.7853 -38.7853 -38.7590 -38.7590 -38.7324 -38.7324 -17.8364 -17.8364 -17.7782 -17.7782 -17.7254 -17.7254 -17.3776 -17.3776 -17.3293 -17.3293 -17.2656 -17.2656 -17.2437 -17.2437 -17.1782 -17.1782 -17.0861 -17.0861 -3.6652 -3.6652 -3.6622 -3.6622 -3.2068 -3.2068 -3.2043 -3.2043 -3.1996 -3.1996 0.8112 0.8112 4.4810 4.4810 7.5328 7.5328 7.5863 7.5863 8.4005 8.4005 8.7699 8.7699 9.6823 9.6823 9.7221 9.7221 10.9993 10.9993 11.2806 11.2806 12.1560 12.1560 12.1702 12.1702 12.9065 12.9065 k = 0.1200 0.5000 0.1200 ( 3706 PWs) bands (ev): -38.7861 -38.7861 -38.7590 -38.7590 -38.7317 -38.7317 -17.8369 -17.8369 -17.7764 -17.7764 -17.7234 -17.7234 -17.3774 -17.3774 -17.3269 -17.3269 -17.2656 -17.2656 -17.2444 -17.2444 -17.1818 -17.1818 -17.0868 -17.0868 -3.6652 -3.6652 -3.6622 -3.6622 -3.2067 -3.2067 -3.2045 -3.2045 -3.1996 -3.1996 0.7849 0.7849 4.4589 4.4589 7.5797 7.5797 7.5956 7.5956 8.4609 8.4609 8.7751 8.7751 9.6997 9.6997 9.7384 9.7384 10.9565 10.9565 11.2526 11.2526 12.1560 12.1560 12.1834 12.1834 12.9513 12.9513 k = 0.1100 0.5000 0.1100 ( 3702 PWs) bands (ev): -38.7867 -38.7867 -38.7590 -38.7590 -38.7311 -38.7311 -17.8375 -17.8375 -17.7748 -17.7748 -17.7215 -17.7215 -17.3774 -17.3774 -17.3243 -17.3243 -17.2659 -17.2659 -17.2446 -17.2446 -17.1853 -17.1853 -17.0873 -17.0873 -3.6653 -3.6653 -3.6621 -3.6621 -3.2066 -3.2066 -3.2046 -3.2046 -3.1996 -3.1996 0.7605 0.7605 4.4381 4.4381 7.6015 7.6015 7.6263 7.6263 8.5183 8.5183 8.7819 8.7819 9.7159 9.7159 9.7543 9.7543 10.9154 10.9154 11.2261 11.2261 12.1544 12.1544 12.2004 12.2004 12.9950 12.9950 k = 0.1000 0.5000 0.1000 ( 3698 PWs) bands (ev): -38.7873 -38.7873 -38.7590 -38.7590 -38.7305 -38.7305 -17.8381 -17.8381 -17.7732 -17.7732 -17.7199 -17.7199 -17.3775 -17.3775 -17.3217 -17.3217 -17.2668 -17.2668 -17.2442 -17.2442 -17.1888 -17.1888 -17.0878 -17.0878 -3.6654 -3.6654 -3.6621 -3.6621 -3.2065 -3.2065 -3.2047 -3.2047 -3.1997 -3.1997 0.7380 0.7380 4.4189 4.4189 7.6072 7.6072 7.6693 7.6693 8.5722 8.5722 8.7898 8.7898 9.7307 9.7307 9.7693 9.7693 10.8765 10.8765 11.2011 11.2011 12.1525 12.1525 12.2198 12.2198 13.0371 13.0371 k = 0.0900 0.5000 0.0900 ( 3698 PWs) bands (ev): -38.7879 -38.7879 -38.7590 -38.7590 -38.7299 -38.7299 -17.8387 -17.8387 -17.7718 -17.7718 -17.7184 -17.7184 -17.3776 -17.3776 -17.3190 -17.3190 -17.2681 -17.2681 -17.2432 -17.2432 -17.1922 -17.1922 -17.0882 -17.0882 -3.6655 -3.6655 -3.6621 -3.6621 -3.2065 -3.2065 -3.2048 -3.2048 -3.1997 -3.1997 0.7175 0.7175 4.4012 4.4012 7.6113 7.6113 7.7100 7.7100 8.6224 8.6224 8.7985 8.7985 9.7442 9.7442 9.7832 9.7832 10.8401 10.8401 11.1779 11.1779 12.1507 12.1507 12.2412 12.2412 13.0740 13.0749 k = 0.0800 0.5000 0.0800 ( 3690 PWs) bands (ev): -38.7884 -38.7884 -38.7590 -38.7590 -38.7294 -38.7294 -17.8393 -17.8393 -17.7704 -17.7704 -17.7171 -17.7171 -17.3777 -17.3777 -17.3162 -17.3162 -17.2699 -17.2699 -17.2416 -17.2416 -17.1955 -17.1955 -17.0885 -17.0885 -3.6655 -3.6655 -3.6620 -3.6620 -3.2064 -3.2064 -3.2048 -3.2048 -3.1997 -3.1997 0.6990 0.6990 4.3853 4.3853 7.6143 7.6143 7.7476 7.7476 8.6685 8.6685 8.8077 8.8077 9.7565 9.7565 9.7960 9.7960 10.8065 10.8065 11.1565 11.1565 12.1489 12.1489 12.2643 12.2643 13.0438 13.0441 k = 0.0700 0.5000 0.0700 ( 3694 PWs) bands (ev): -38.7888 -38.7888 -38.7590 -38.7590 -38.7290 -38.7290 -17.8398 -17.8398 -17.7692 -17.7692 -17.7160 -17.7160 -17.3778 -17.3778 -17.3135 -17.3135 -17.2720 -17.2720 -17.2398 -17.2398 -17.1988 -17.1988 -17.0888 -17.0888 -3.6656 -3.6656 -3.6620 -3.6620 -3.2065 -3.2065 -3.2049 -3.2049 -3.1998 -3.1998 0.6825 0.6825 4.3710 4.3710 7.6164 7.6164 7.7819 7.7819 8.7100 8.7100 8.8170 8.8170 9.7675 9.7675 9.8073 9.8073 10.7759 10.7759 11.1372 11.1372 12.1473 12.1473 12.2884 12.2884 13.0304 13.0304 k = 0.0600 0.5000 0.0600 ( 3698 PWs) bands (ev): -38.7892 -38.7892 -38.7590 -38.7590 -38.7286 -38.7286 -17.8404 -17.8404 -17.7681 -17.7681 -17.7151 -17.7151 -17.3780 -17.3780 -17.3106 -17.3106 -17.2744 -17.2744 -17.2377 -17.2377 -17.2020 -17.2020 -17.0890 -17.0890 -3.6657 -3.6657 -3.6620 -3.6620 -3.2065 -3.2065 -3.2050 -3.2050 -3.1998 -3.1998 0.6682 0.6682 4.3585 4.3585 7.6177 7.6177 7.8125 7.8125 8.7467 8.7467 8.8261 8.8261 9.7771 9.7771 9.8171 9.8171 10.7486 10.7486 11.1201 11.1201 12.1458 12.1458 12.3131 12.3131 13.0184 13.0184 k = 0.0500 0.5000 0.0500 ( 3694 PWs) bands (ev): -38.7896 -38.7896 -38.7590 -38.7590 -38.7283 -38.7283 -17.8408 -17.8408 -17.7672 -17.7672 -17.7144 -17.7144 -17.3781 -17.3781 -17.3078 -17.3078 -17.2769 -17.2769 -17.2354 -17.2354 -17.2051 -17.2051 -17.0892 -17.0892 -3.6657 -3.6657 -3.6620 -3.6620 -3.2065 -3.2065 -3.2050 -3.2050 -3.1998 -3.1998 0.6561 0.6561 4.3479 4.3479 7.6185 7.6185 7.8391 7.8391 8.7780 8.7780 8.8347 8.8347 9.7853 9.7853 9.8256 9.8256 10.7251 10.7251 11.1054 11.1054 12.1446 12.1446 12.3373 12.3373 13.0079 13.0080 k = 0.0400 0.5000 0.0400 ( 3694 PWs) bands (ev): -38.7899 -38.7899 -38.7590 -38.7590 -38.7280 -38.7280 -17.8412 -17.8412 -17.7664 -17.7664 -17.7138 -17.7138 -17.3783 -17.3783 -17.3050 -17.3050 -17.2794 -17.2794 -17.2329 -17.2329 -17.2081 -17.2081 -17.0893 -17.0893 -3.6658 -3.6658 -3.6620 -3.6620 -3.2065 -3.2065 -3.2050 -3.2050 -3.1999 -3.1999 0.6461 0.6461 4.3391 4.3391 7.6190 7.6190 7.8613 7.8613 8.8036 8.8036 8.8427 8.8427 9.7921 9.7921 9.8324 9.8324 10.7054 10.7054 11.0931 11.0931 12.1435 12.1435 12.3601 12.3601 12.9988 12.9989 k = 0.0300 0.5000 0.0300 ( 3704 PWs) bands (ev): -38.7901 -38.7901 -38.7591 -38.7591 -38.7278 -38.7278 -17.8416 -17.8416 -17.7658 -17.7658 -17.7133 -17.7133 -17.3784 -17.3784 -17.3022 -17.3022 -17.2821 -17.2821 -17.2305 -17.2305 -17.2110 -17.2110 -17.0894 -17.0894 -3.6659 -3.6659 -3.6620 -3.6620 -3.2066 -3.2066 -3.2051 -3.2051 -3.1999 -3.1999 0.6382 0.6382 4.3323 4.3323 7.6191 7.6191 7.8789 7.8789 8.8229 8.8229 8.8501 8.8501 9.7972 9.7972 9.8377 9.8377 10.6899 10.6899 11.0833 11.0833 12.1428 12.1428 12.3800 12.3800 12.9908 12.9911 k = 0.0200 0.5000 0.0200 ( 3704 PWs) bands (ev): -38.7902 -38.7902 -38.7591 -38.7591 -38.7276 -38.7276 -17.8419 -17.8419 -17.7654 -17.7654 -17.7129 -17.7129 -17.3785 -17.3785 -17.2996 -17.2996 -17.2846 -17.2846 -17.2282 -17.2282 -17.2137 -17.2137 -17.0895 -17.0895 -3.6659 -3.6659 -3.6620 -3.6620 -3.2066 -3.2066 -3.2051 -3.2051 -3.1999 -3.1999 0.6326 0.6326 4.3274 4.3274 7.6192 7.6192 7.8916 7.8916 8.8355 8.8355 8.8568 8.8568 9.8010 9.8010 9.8416 9.8416 10.6786 10.6786 11.0763 11.0763 12.1422 12.1422 12.3957 12.3957 12.9837 12.9839 k = 0.0100 0.5000 0.0100 ( 3684 PWs) bands (ev): -38.7903 -38.7903 -38.7591 -38.7591 -38.7275 -38.7275 -17.8420 -17.8420 -17.7651 -17.7651 -17.7127 -17.7127 -17.3786 -17.3786 -17.2975 -17.2975 -17.2866 -17.2866 -17.2261 -17.2261 -17.2157 -17.2157 -17.0894 -17.0894 -3.6659 -3.6659 -3.6619 -3.6619 -3.2066 -3.2066 -3.2050 -3.2050 -3.1998 -3.1998 0.6293 0.6293 4.3245 4.3245 7.6192 7.6192 7.8993 7.8993 8.8421 8.8421 8.8620 8.8620 9.8032 9.8032 9.8439 9.8439 10.6719 10.6719 11.0721 11.0721 12.1419 12.1419 12.4059 12.4059 12.9781 12.9788 k = 0.0000 0.5000-0.0000 ( 3668 PWs) bands (ev): -38.7904 -38.7904 -38.7591 -38.7591 -38.7275 -38.7275 -17.8420 -17.8420 -17.7649 -17.7649 -17.7125 -17.7125 -17.3786 -17.3786 -17.2966 -17.2966 -17.2875 -17.2875 -17.2252 -17.2252 -17.2166 -17.2166 -17.0894 -17.0894 -3.6658 -3.6658 -3.6618 -3.6618 -3.2065 -3.2065 -3.2049 -3.2049 -3.1997 -3.1997 0.6282 0.6282 4.3235 4.3235 7.6192 7.6192 7.9019 7.9019 8.8441 8.8441 8.8640 8.8640 9.8040 9.8040 9.8447 9.8447 10.6698 10.6698 11.0708 11.0708 12.1418 12.1418 12.4094 12.4094 12.9759 12.9763 k = 0.5000 0.5000-0.0000 ( 3676 PWs) bands (ev): -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -17.8074 -17.8074 -17.7997 -17.7997 -17.7667 -17.7667 -17.3603 -17.3603 -17.3468 -17.3468 -17.2954 -17.2954 -17.2148 -17.2148 -17.1836 -17.1836 -17.0604 -17.0604 -3.6632 -3.6632 -3.6622 -3.6622 -3.2081 -3.2081 -3.2020 -3.2020 -3.1968 -3.1968 1.3037 1.3037 5.0584 5.0584 6.5636 6.5636 6.5636 6.5636 8.3397 8.3397 9.0560 9.0560 9.0783 9.0783 9.7473 9.7473 11.7418 11.7418 11.7493 11.7493 12.0088 12.0088 12.0253 12.0253 12.4317 12.4317 k = 0.5000 0.5000 0.0139 ( 3676 PWs) bands (ev): -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -17.8074 -17.8074 -17.7999 -17.7999 -17.7668 -17.7668 -17.3608 -17.3608 -17.3468 -17.3468 -17.2949 -17.2949 -17.2149 -17.2149 -17.1832 -17.1832 -17.0603 -17.0603 -3.6632 -3.6632 -3.6622 -3.6622 -3.2081 -3.2081 -3.2020 -3.2020 -3.1968 -3.1968 1.3048 1.3048 5.0584 5.0584 6.5638 6.5638 6.5638 6.5638 8.3361 8.3361 9.0561 9.0561 9.0785 9.0785 9.7467 9.7467 11.7427 11.7427 11.7502 11.7502 12.0090 12.0090 12.0255 12.0255 12.4306 12.4306 k = 0.5000 0.5000 0.0278 ( 3676 PWs) bands (ev): -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -17.8075 -17.8075 -17.8005 -17.8005 -17.7672 -17.7672 -17.3621 -17.3621 -17.3469 -17.3469 -17.2936 -17.2936 -17.2151 -17.2151 -17.1819 -17.1819 -17.0603 -17.0603 -3.6632 -3.6632 -3.6622 -3.6622 -3.2081 -3.2081 -3.2020 -3.2020 -3.1968 -3.1968 1.3081 1.3081 5.0585 5.0585 6.5641 6.5641 6.5641 6.5641 8.3253 8.3253 9.0565 9.0565 9.0789 9.0789 9.7450 9.7450 11.7456 11.7456 11.7530 11.7530 12.0097 12.0097 12.0262 12.0262 12.4271 12.4271 k = 0.5000 0.5000 0.0417 ( 3684 PWs) bands (ev): -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -17.8076 -17.8076 -17.8014 -17.8014 -17.7679 -17.7679 -17.3643 -17.3643 -17.3471 -17.3471 -17.2915 -17.2915 -17.2155 -17.2155 -17.1798 -17.1798 -17.0602 -17.0602 -3.6632 -3.6632 -3.6622 -3.6622 -3.2082 -3.2082 -3.2020 -3.2020 -3.1969 -3.1969 1.3135 1.3135 5.0586 5.0586 6.5647 6.5647 6.5647 6.5647 8.3075 8.3075 9.0572 9.0572 9.0796 9.0796 9.7421 9.7421 11.7502 11.7502 11.7577 11.7577 12.0108 12.0108 12.0273 12.0273 12.4213 12.4213 k = 0.5000 0.5000 0.0556 ( 3676 PWs) bands (ev): -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -38.7588 -17.8078 -17.8078 -17.8027 -17.8027 -17.7688 -17.7688 -17.3670 -17.3670 -17.3473 -17.3473 -17.2887 -17.2887 -17.2159 -17.2159 -17.1770 -17.1770 -17.0601 -17.0601 -3.6632 -3.6632 -3.6623 -3.6623 -3.2082 -3.2082 -3.2019 -3.2019 -3.1969 -3.1969 1.3211 1.3211 5.0587 5.0587 6.5654 6.5654 6.5654 6.5654 8.2830 8.2830 9.0582 9.0582 9.0807 9.0807 9.7383 9.7383 11.7567 11.7567 11.7641 11.7641 12.0123 12.0123 12.0289 12.0289 12.4130 12.4130 k = 0.5000 0.5000 0.0694 ( 3676 PWs) bands (ev): -38.7588 -38.7588 -38.7587 -38.7587 -38.7587 -38.7587 -17.8080 -17.8080 -17.8045 -17.8045 -17.7699 -17.7699 -17.3702 -17.3702 -17.3475 -17.3475 -17.2854 -17.2854 -17.2163 -17.2163 -17.1736 -17.1736 -17.0599 -17.0599 -3.6632 -3.6632 -3.6623 -3.6623 -3.2083 -3.2083 -3.2019 -3.2019 -3.1970 -3.1970 1.3308 1.3308 5.0588 5.0588 6.5664 6.5664 6.5664 6.5664 8.2518 8.2518 9.0596 9.0596 9.0822 9.0822 9.7333 9.7333 11.7648 11.7648 11.7720 11.7720 12.0141 12.0141 12.0308 12.0308 12.4022 12.4022 k = 0.5000 0.5000 0.0833 ( 3688 PWs) bands (ev): -38.7588 -38.7588 -38.7587 -38.7587 -38.7587 -38.7587 -17.8083 -17.8083 -17.8065 -17.8065 -17.7713 -17.7713 -17.3738 -17.3738 -17.3478 -17.3478 -17.2818 -17.2818 -17.2167 -17.2167 -17.1697 -17.1697 -17.0596 -17.0596 -3.6633 -3.6633 -3.6623 -3.6623 -3.2084 -3.2084 -3.2020 -3.2020 -3.1971 -3.1971 1.3425 1.3425 5.0590 5.0590 6.5675 6.5675 6.5675 6.5675 8.2142 8.2142 9.0614 9.0614 9.0842 9.0842 9.7272 9.7272 11.7742 11.7742 11.7813 11.7813 12.0162 12.0162 12.0330 12.0330 12.3888 12.3888 k = 0.5000 0.5000 0.0972 ( 3688 PWs) bands (ev): -38.7588 -38.7588 -38.7587 -38.7587 -38.7587 -38.7587 -17.8089 -17.8089 -17.8086 -17.8086 -17.7728 -17.7728 -17.3776 -17.3776 -17.3481 -17.3481 -17.2779 -17.2779 -17.2169 -17.2169 -17.1653 -17.1653 -17.0594 -17.0594 -3.6634 -3.6634 -3.6624 -3.6624 -3.2085 -3.2085 -3.2019 -3.2019 -3.1971 -3.1971 1.3563 1.3563 5.0593 5.0593 6.5687 6.5687 6.5688 6.5688 8.1708 8.1708 9.0639 9.0639 9.0868 9.0868 9.7202 9.7202 11.7850 11.7850 11.7920 11.7920 12.0185 12.0185 12.0353 12.0353 12.3729 12.3729 k = 0.5000 0.5000 0.1111 ( 3688 PWs) bands (ev): -38.7588 -38.7588 -38.7587 -38.7587 -38.7587 -38.7587 -17.8116 -17.8116 -17.8090 -17.8090 -17.7746 -17.7746 -17.3816 -17.3816 -17.3483 -17.3483 -17.2739 -17.2739 -17.2170 -17.2170 -17.1606 -17.1606 -17.0591 -17.0591 -3.6634 -3.6634 -3.6625 -3.6625 -3.2086 -3.2086 -3.2018 -3.2018 -3.1972 -3.1972 1.3721 1.3721 5.0595 5.0595 6.5701 6.5701 6.5701 6.5701 8.1221 8.1221 9.0672 9.0672 9.0903 9.0903 9.7123 9.7123 11.7968 11.7968 11.8037 11.8037 12.0209 12.0209 12.0377 12.0377 12.3544 12.3544 k = 0.5000 0.5000 0.1250 ( 3688 PWs) bands (ev): -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -17.8147 -17.8147 -17.8094 -17.8094 -17.7764 -17.7764 -17.3857 -17.3857 -17.3486 -17.3486 -17.2698 -17.2698 -17.2170 -17.2170 -17.1555 -17.1555 -17.0587 -17.0587 -3.6634 -3.6634 -3.6625 -3.6625 -3.2088 -3.2088 -3.2018 -3.2018 -3.1973 -3.1973 1.3897 1.3897 5.0598 5.0598 6.5715 6.5715 6.5716 6.5716 8.0682 8.0682 9.0712 9.0712 9.0945 9.0945 9.7035 9.7035 11.8095 11.8095 11.8162 11.8162 12.0231 12.0231 12.0401 12.0401 12.3334 12.3334 k = 0.5000 0.5000 0.1389 ( 3680 PWs) bands (ev): -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -17.8179 -17.8179 -17.8099 -17.8099 -17.7784 -17.7784 -17.3898 -17.3898 -17.3488 -17.3488 -17.2656 -17.2656 -17.2169 -17.2169 -17.1502 -17.1502 -17.0583 -17.0583 -3.6634 -3.6634 -3.6626 -3.6626 -3.2089 -3.2089 -3.2017 -3.2017 -3.1974 -3.1974 1.4092 1.4092 5.0601 5.0601 6.5729 6.5729 6.5730 6.5730 8.0098 8.0098 9.0762 9.0762 9.0996 9.0996 9.6940 9.6940 11.8230 11.8230 11.8295 11.8295 12.0252 12.0252 12.0422 12.0422 12.3101 12.3101 k = 0.5000 0.5000 0.1528 ( 3688 PWs) bands (ev): -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -17.8215 -17.8215 -17.8104 -17.8104 -17.7806 -17.7806 -17.3940 -17.3940 -17.3490 -17.3490 -17.2614 -17.2614 -17.2166 -17.2166 -17.1447 -17.1447 -17.0579 -17.0579 -3.6635 -3.6635 -3.6627 -3.6627 -3.2091 -3.2091 -3.2016 -3.2016 -3.1975 -3.1975 1.4304 1.4304 5.0605 5.0605 6.5743 6.5743 6.5744 6.5744 7.9473 7.9473 9.0822 9.0822 9.1059 9.1059 9.6836 9.6836 11.8367 11.8367 11.8431 11.8431 12.0269 12.0269 12.0439 12.0439 12.2846 12.2846 k = 0.5000 0.5000 0.1667 ( 3688 PWs) bands (ev): -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -17.8252 -17.8252 -17.8109 -17.8109 -17.7828 -17.7828 -17.3981 -17.3981 -17.3491 -17.3491 -17.2572 -17.2572 -17.2163 -17.2163 -17.1391 -17.1391 -17.0574 -17.0574 -3.6635 -3.6635 -3.6628 -3.6628 -3.2093 -3.2093 -3.2015 -3.2015 -3.1977 -3.1977 1.4532 1.4532 5.0609 5.0609 6.5757 6.5757 6.5758 6.5758 7.8814 7.8814 9.0893 9.0893 9.1133 9.1133 9.6727 9.6727 11.8508 11.8508 11.8570 11.8570 12.0279 12.0279 12.0450 12.0450 12.2572 12.2572 k = 0.5000 0.5000 0.1806 ( 3688 PWs) bands (ev): -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -17.8291 -17.8291 -17.8114 -17.8114 -17.7851 -17.7851 -17.4021 -17.4021 -17.3493 -17.3493 -17.2531 -17.2531 -17.2159 -17.2159 -17.1333 -17.1333 -17.0569 -17.0569 -3.6636 -3.6636 -3.6629 -3.6629 -3.2094 -3.2094 -3.2014 -3.2014 -3.1978 -3.1978 1.4775 1.4775 5.0613 5.0613 6.5770 6.5770 6.5770 6.5770 7.8125 7.8125 9.0976 9.0976 9.1219 9.1219 9.6613 9.6613 11.8649 11.8649 11.8709 11.8709 12.0282 12.0282 12.0454 12.0454 12.2283 12.2283 k = 0.5000 0.5000 0.1944 ( 3692 PWs) bands (ev): -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -17.8332 -17.8332 -17.8120 -17.8120 -17.7874 -17.7874 -17.4061 -17.4061 -17.3493 -17.3493 -17.2491 -17.2491 -17.2154 -17.2154 -17.1275 -17.1275 -17.0564 -17.0564 -3.6637 -3.6637 -3.6630 -3.6630 -3.2096 -3.2096 -3.2014 -3.2014 -3.1979 -3.1979 1.5032 1.5032 5.0617 5.0617 6.5781 6.5781 6.5782 6.5782 7.7411 7.7411 9.1072 9.1072 9.1318 9.1318 9.6495 9.6495 11.8787 11.8787 11.8845 11.8845 12.0276 12.0276 12.0447 12.0447 12.1980 12.1980 k = 0.5000 0.5000 0.2083 ( 3692 PWs) bands (ev): -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -38.7587 -17.8374 -17.8374 -17.8126 -17.8126 -17.7898 -17.7898 -17.4100 -17.4100 -17.3494 -17.3494 -17.2452 -17.2452 -17.2148 -17.2148 -17.1217 -17.1217 -17.0558 -17.0558 -3.6637 -3.6637 -3.6631 -3.6631 -3.2099 -3.2099 -3.2013 -3.2013 -3.1980 -3.1980 1.5301 1.5301 5.0621 5.0621 6.5791 6.5791 6.5792 6.5792 7.6680 7.6680 9.1181 9.1181 9.1430 9.1430 9.6373 9.6373 11.8923 11.8923 11.8979 11.8979 12.0257 12.0257 12.0429 12.0429 12.1668 12.1668 k = 0.5000 0.5000 0.2222 ( 3692 PWs) bands (ev): -38.7587 -38.7587 -38.7586 -38.7586 -38.7586 -38.7586 -17.8417 -17.8417 -17.8132 -17.8132 -17.7922 -17.7922 -17.4138 -17.4138 -17.3493 -17.3493 -17.2414 -17.2414 -17.2141 -17.2141 -17.1158 -17.1158 -17.0553 -17.0553 -3.6638 -3.6638 -3.6632 -3.6632 -3.2101 -3.2101 -3.2012 -3.2012 -3.1981 -3.1981 1.5582 1.5582 5.0625 5.0625 6.5800 6.5800 6.5801 6.5801 7.5934 7.5934 9.1303 9.1303 9.1556 9.1556 9.6249 9.6249 11.9053 11.9053 11.9106 11.9106 12.0226 12.0226 12.0398 12.0398 12.1350 12.1350 k = 0.5000 0.5000 0.2361 ( 3688 PWs) bands (ev): -38.7587 -38.7587 -38.7586 -38.7586 -38.7586 -38.7586 -17.8459 -17.8459 -17.8138 -17.8138 -17.7945 -17.7945 -17.4174 -17.4174 -17.3493 -17.3493 -17.2377 -17.2377 -17.2134 -17.2134 -17.1101 -17.1101 -17.0547 -17.0547 -3.6638 -3.6638 -3.6632 -3.6632 -3.2103 -3.2103 -3.2010 -3.2010 -3.1982 -3.1982 1.5872 1.5872 5.0630 5.0630 6.5807 6.5807 6.5807 6.5807 7.5180 7.5180 9.1440 9.1440 9.1696 9.1696 9.6123 9.6123 11.9175 11.9175 11.9225 11.9225 12.0182 12.0182 12.0354 12.0354 12.1030 12.1030 k = 0.5000 0.5000 0.2500 ( 3700 PWs) bands (ev): -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -17.8503 -17.8503 -17.8145 -17.8145 -17.7969 -17.7969 -17.4209 -17.4209 -17.3492 -17.3492 -17.2342 -17.2342 -17.2126 -17.2126 -17.1044 -17.1044 -17.0541 -17.0541 -3.6639 -3.6639 -3.6634 -3.6634 -3.2105 -3.2105 -3.2010 -3.2010 -3.1984 -3.1984 1.6168 1.6168 5.0634 5.0634 6.5811 6.5811 6.5811 6.5811 7.4423 7.4423 9.1589 9.1589 9.1849 9.1849 9.5997 9.5997 11.9283 11.9283 11.9330 11.9330 12.0126 12.0126 12.0299 12.0299 12.0710 12.0710 k = 0.5000 0.5000 0.2639 ( 3692 PWs) bands (ev): -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -17.8545 -17.8545 -17.8151 -17.8151 -17.7993 -17.7993 -17.4242 -17.4242 -17.3490 -17.3490 -17.2309 -17.2309 -17.2118 -17.2118 -17.0988 -17.0988 -17.0535 -17.0535 -3.6639 -3.6639 -3.6635 -3.6635 -3.2108 -3.2108 -3.2008 -3.2008 -3.1985 -3.1985 1.6471 1.6471 5.0638 5.0638 6.5814 6.5814 6.5814 6.5814 7.3669 7.3669 9.1751 9.1751 9.2016 9.2016 9.5872 9.5872 11.9370 11.9370 11.9415 11.9415 12.0066 12.0066 12.0240 12.0240 12.0395 12.0395 k = 0.5000 0.5000 0.2778 ( 3684 PWs) bands (ev): -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -17.8587 -17.8587 -17.8157 -17.8157 -17.8015 -17.8015 -17.4274 -17.4274 -17.3489 -17.3489 -17.2276 -17.2276 -17.2110 -17.2110 -17.0934 -17.0934 -17.0528 -17.0528 -3.6640 -3.6640 -3.6636 -3.6636 -3.2110 -3.2110 -3.2006 -3.2006 -3.1985 -3.1985 1.6777 1.6777 5.0643 5.0643 6.5816 6.5816 6.5816 6.5816 7.2921 7.2921 9.1925 9.1925 9.2195 9.2195 9.5748 9.5748 11.9419 11.9419 11.9467 11.9467 12.0016 12.0016 12.0088 12.0088 12.0188 12.0188 k = 0.5000 0.5000 0.2917 ( 3700 PWs) bands (ev): -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -17.8629 -17.8629 -17.8164 -17.8164 -17.8038 -17.8038 -17.4305 -17.4305 -17.3487 -17.3487 -17.2246 -17.2246 -17.2102 -17.2102 -17.0882 -17.0882 -17.0523 -17.0523 -3.6641 -3.6641 -3.6637 -3.6637 -3.2113 -3.2113 -3.2006 -3.2006 -3.1987 -3.1987 1.7084 1.7084 5.0647 5.0647 6.5814 6.5814 6.5814 6.5814 7.2185 7.2185 9.2109 9.2109 9.2383 9.2383 9.5626 9.5626 11.9403 11.9403 11.9467 11.9467 11.9792 11.9792 12.0000 12.0000 12.0160 12.0160 k = 0.5000 0.5000 0.3056 ( 3700 PWs) bands (ev): -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -17.8669 -17.8669 -17.8170 -17.8170 -17.8059 -17.8059 -17.4333 -17.4333 -17.3486 -17.3486 -17.2218 -17.2218 -17.2094 -17.2094 -17.0832 -17.0832 -17.0516 -17.0516 -3.6642 -3.6642 -3.6638 -3.6638 -3.2115 -3.2115 -3.2005 -3.2005 -3.1988 -3.1988 1.7390 1.7390 5.0652 5.0652 6.5811 6.5811 6.5812 6.5812 7.1467 7.1467 9.2302 9.2302 9.2581 9.2581 9.5508 9.5508 11.9308 11.9308 11.9405 11.9405 11.9519 11.9519 12.0025 12.0025 12.0168 12.0168 k = 0.5000 0.5000 0.3194 ( 3708 PWs) bands (ev): -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -17.8707 -17.8707 -17.8176 -17.8176 -17.8080 -17.8080 -17.4360 -17.4360 -17.3484 -17.3484 -17.2192 -17.2192 -17.2086 -17.2086 -17.0785 -17.0785 -17.0510 -17.0510 -3.6643 -3.6643 -3.6639 -3.6639 -3.2117 -3.2117 -3.2005 -3.2005 -3.1989 -3.1989 1.7693 1.7693 5.0656 5.0656 6.5807 6.5807 6.5807 6.5807 7.0771 7.0771 9.2501 9.2501 9.2786 9.2786 9.5394 9.5394 11.9130 11.9130 11.9287 11.9287 11.9288 11.9288 12.0080 12.0080 12.0208 12.0208 k = 0.5000 0.5000 0.3333 ( 3708 PWs) bands (ev): -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -38.7586 -17.8744 -17.8744 -17.8182 -17.8182 -17.8099 -17.8099 -17.4385 -17.4385 -17.3482 -17.3482 -17.2167 -17.2167 -17.2078 -17.2078 -17.0740 -17.0740 -17.0505 -17.0505 -3.6643 -3.6643 -3.6640 -3.6640 -3.2119 -3.2119 -3.2004 -3.2004 -3.1990 -3.1990 1.7989 1.7989 5.0661 5.0661 6.5801 6.5801 6.5802 6.5802 7.0102 7.0102 9.2705 9.2705 9.2996 9.2996 9.5285 9.5285 11.8898 11.8898 11.9090 11.9090 11.9130 11.9130 12.0149 12.0149 12.0265 12.0265 k = 0.5000 0.5000 0.3472 ( 3700 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8778 -17.8778 -17.8187 -17.8187 -17.8117 -17.8117 -17.4407 -17.4407 -17.3480 -17.3480 -17.2144 -17.2144 -17.2070 -17.2070 -17.0698 -17.0698 -17.0499 -17.0499 -3.6643 -3.6643 -3.6641 -3.6641 -3.2121 -3.2121 -3.2002 -3.2002 -3.1991 -3.1991 1.8276 1.8276 5.0665 5.0665 6.5794 6.5794 6.5795 6.5795 6.9465 6.9465 9.2911 9.2911 9.3208 9.3208 9.5183 9.5183 11.8661 11.8661 11.8893 11.8893 11.8947 11.8947 12.0221 12.0221 12.0330 12.0330 k = 0.5000 0.5000 0.3611 ( 3696 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8811 -17.8811 -17.8193 -17.8193 -17.8134 -17.8134 -17.4428 -17.4428 -17.3478 -17.3478 -17.2123 -17.2123 -17.2062 -17.2062 -17.0659 -17.0659 -17.0493 -17.0493 -3.6643 -3.6643 -3.6642 -3.6642 -3.2123 -3.2123 -3.2001 -3.2001 -3.1992 -3.1992 1.8551 1.8551 5.0669 5.0669 6.5787 6.5787 6.5788 6.5788 6.8864 6.8864 9.3115 9.3115 9.3418 9.3418 9.5088 9.5088 11.8436 11.8436 11.8688 11.8688 11.8749 11.8749 12.0292 12.0292 12.0396 12.0396 k = 0.5000 0.5000 0.3750 ( 3688 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8840 -17.8840 -17.8197 -17.8197 -17.8150 -17.8150 -17.4447 -17.4447 -17.3476 -17.3476 -17.2104 -17.2104 -17.2056 -17.2056 -17.0623 -17.0623 -17.0488 -17.0488 -3.6644 -3.6644 -3.6642 -3.6642 -3.2124 -3.2124 -3.2000 -3.2000 -3.1992 -3.1992 1.8811 1.8811 5.0673 5.0673 6.5779 6.5779 6.5781 6.5781 6.8305 6.8305 9.3313 9.3313 9.3625 9.3625 9.5001 9.5001 11.8226 11.8226 11.8480 11.8480 11.8543 11.8543 12.0359 12.0359 12.0459 12.0459 k = 0.5000 0.5000 0.3889 ( 3692 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8868 -17.8868 -17.8202 -17.8202 -17.8164 -17.8164 -17.4465 -17.4465 -17.3474 -17.3474 -17.2087 -17.2087 -17.2049 -17.2049 -17.0590 -17.0590 -17.0483 -17.0483 -3.6644 -3.6644 -3.6643 -3.6643 -3.2126 -3.2126 -3.1999 -3.1999 -3.1993 -3.1993 1.9053 1.9053 5.0675 5.0675 6.5770 6.5770 6.5772 6.5772 6.7791 6.7791 9.3502 9.3502 9.3823 9.3823 9.4923 9.4923 11.8033 11.8033 11.8274 11.8274 11.8337 11.8337 12.0421 12.0421 12.0518 12.0518 k = 0.5000 0.5000 0.4028 ( 3700 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8893 -17.8893 -17.8206 -17.8206 -17.8177 -17.8177 -17.4480 -17.4480 -17.3473 -17.3473 -17.2072 -17.2072 -17.2044 -17.2044 -17.0561 -17.0561 -17.0479 -17.0479 -3.6645 -3.6645 -3.6644 -3.6644 -3.2128 -3.2128 -3.1999 -3.1999 -3.1994 -3.1994 1.9275 1.9275 5.0678 5.0678 6.5761 6.5761 6.5764 6.5764 6.7325 6.7325 9.3678 9.3678 9.4010 9.4010 9.4855 9.4855 11.7860 11.7860 11.8075 11.8075 11.8137 11.8137 12.0477 12.0477 12.0571 12.0571 k = 0.5000 0.5000 0.4167 ( 3700 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8914 -17.8914 -17.8210 -17.8210 -17.8188 -17.8188 -17.4493 -17.4493 -17.3471 -17.3471 -17.2059 -17.2059 -17.2039 -17.2039 -17.0536 -17.0536 -17.0475 -17.0475 -3.6645 -3.6645 -3.6644 -3.6644 -3.2129 -3.2129 -3.1998 -3.1998 -3.1995 -3.1995 1.9473 1.9473 5.0680 5.0680 6.5754 6.5754 6.5756 6.5756 6.6914 6.6914 9.3837 9.3837 9.4182 9.4182 9.4799 9.4799 11.7707 11.7707 11.7890 11.7890 11.7949 11.7949 12.0526 12.0526 12.0616 12.0616 k = 0.5000 0.5000 0.4306 ( 3696 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8932 -17.8932 -17.8213 -17.8213 -17.8198 -17.8198 -17.4504 -17.4504 -17.3470 -17.3470 -17.2048 -17.2048 -17.2034 -17.2034 -17.0514 -17.0514 -17.0472 -17.0472 -3.6646 -3.6646 -3.6644 -3.6644 -3.2130 -3.2130 -3.1998 -3.1998 -3.1994 -3.1994 1.9647 1.9647 5.0683 5.0683 6.5747 6.5747 6.5750 6.5750 6.6559 6.6559 9.3974 9.3974 9.4336 9.4336 9.4757 9.4757 11.7573 11.7573 11.7726 11.7726 11.7778 11.7778 12.0568 12.0568 12.0652 12.0652 k = 0.5000 0.5000 0.4444 ( 3680 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8947 -17.8947 -17.8215 -17.8215 -17.8205 -17.8205 -17.4513 -17.4513 -17.3468 -17.3468 -17.2039 -17.2039 -17.2030 -17.2030 -17.0496 -17.0496 -17.0469 -17.0469 -3.6646 -3.6646 -3.6644 -3.6644 -3.2129 -3.2129 -3.1998 -3.1998 -3.1994 -3.1994 1.9792 1.9792 5.0685 5.0685 6.5741 6.5741 6.5744 6.5744 6.6266 6.6266 9.4084 9.4084 9.4466 9.4466 9.4728 9.4728 11.7459 11.7459 11.7588 11.7588 11.7631 11.7631 12.0603 12.0604 12.0677 12.0678 k = 0.5000 0.5000 0.4583 ( 3664 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8959 -17.8959 -17.8217 -17.8217 -17.8211 -17.8211 -17.4520 -17.4520 -17.3467 -17.3467 -17.2032 -17.2032 -17.2027 -17.2027 -17.0482 -17.0482 -17.0466 -17.0466 -3.6645 -3.6645 -3.6644 -3.6644 -3.2129 -3.2129 -3.1997 -3.1997 -3.1994 -3.1994 1.9907 1.9907 5.0687 5.0687 6.5737 6.5737 6.5740 6.5740 6.6034 6.6034 9.4166 9.4166 9.4572 9.4572 9.4713 9.4713 11.7364 11.7364 11.7481 11.7481 11.7511 11.7511 12.0631 12.0631 12.0687 12.0688 k = 0.5000 0.5000 0.4722 ( 3648 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8967 -17.8967 -17.8218 -17.8218 -17.8215 -17.8215 -17.4525 -17.4525 -17.3466 -17.3466 -17.2026 -17.2026 -17.2024 -17.2024 -17.0471 -17.0471 -17.0464 -17.0464 -3.6644 -3.6644 -3.6644 -3.6644 -3.2129 -3.2129 -3.1995 -3.1995 -3.1994 -3.1994 1.9991 1.9991 5.0688 5.0688 6.5734 6.5734 6.5737 6.5737 6.5867 6.5867 9.4219 9.4219 9.4650 9.4650 9.4710 9.4710 11.7292 11.7292 11.7408 11.7408 11.7423 11.7423 12.0651 12.0652 12.0682 12.0682 k = 0.5000 0.5000 0.4861 ( 3648 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8972 -17.8972 -17.8219 -17.8219 -17.8218 -17.8218 -17.4528 -17.4528 -17.3466 -17.3466 -17.2024 -17.2024 -17.2023 -17.2023 -17.0465 -17.0465 -17.0463 -17.0463 -3.6644 -3.6644 -3.6644 -3.6644 -3.2130 -3.2130 -3.1994 -3.1994 -3.1994 -3.1994 2.0041 2.0041 5.0689 5.0689 6.5732 6.5732 6.5735 6.5735 6.5766 6.5766 9.4247 9.4247 9.4697 9.4697 9.4712 9.4712 11.7245 11.7245 11.7365 11.7365 11.7369 11.7369 12.0663 12.0663 12.0671 12.0672 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -38.7585 -17.8974 -17.8974 -17.8219 -17.8219 -17.8219 -17.8219 -17.4529 -17.4529 -17.3466 -17.3466 -17.2023 -17.2023 -17.2023 -17.2023 -17.0463 -17.0463 -17.0463 -17.0463 -3.6644 -3.6644 -3.6644 -3.6644 -3.2130 -3.2130 -3.1994 -3.1994 -3.1994 -3.1994 2.0058 2.0058 5.0689 5.0689 6.5731 6.5731 6.5731 6.5731 6.5736 6.5736 9.4256 9.4256 9.4713 9.4713 9.4713 9.4713 11.7229 11.7229 11.7351 11.7351 11.7351 11.7351 12.0667 12.0667 12.0667 12.0667 Writing output data file Sc3GaC.save init_run : 0.30s CPU 0.55s WALL ( 1 calls) electrons : 267.27s CPU 271.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 267.26s CPU 271.77s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 275 calls) cegterg : 253.87s CPU 257.22s WALL ( 839 calls) Called by sum_band: Called by *egterg: h_psi : 114.60s CPU 116.89s WALL ( 15675 calls) s_psi : 8.31s CPU 8.27s WALL ( 15675 calls) g_psi : 0.36s CPU 0.31s WALL ( 14561 calls) cdiaghg : 116.20s CPU 117.69s WALL ( 14836 calls) cegterg:over : 8.55s CPU 8.70s WALL ( 14561 calls) cegterg:upda : 8.76s CPU 8.61s WALL ( 14561 calls) cegterg:last : 3.88s CPU 3.71s WALL ( 1680 calls) cdiaghg:chol : 6.72s CPU 6.48s WALL ( 14836 calls) cdiaghg:inve : 4.42s CPU 4.39s WALL ( 14836 calls) cdiaghg:para : 7.06s CPU 7.14s WALL ( 29672 calls) Called by h_psi: h_psi:vloc : 97.07s CPU 98.76s WALL ( 15675 calls) h_psi:vnl : 17.22s CPU 17.81s WALL ( 15675 calls) add_vuspsi : 9.45s CPU 9.67s WALL ( 15675 calls) General routines calbec : 7.74s CPU 8.10s WALL ( 15675 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 90.62s CPU 91.96s WALL ( 1177764 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.18s WALL ( 550 calls) Parallel routines fft_scatter : 32.44s CPU 33.87s WALL ( 1177787 calls) PWSCF : 4m42.00s CPU 4m57.71s WALL This run was terminated on: 17: 1:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=